CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[n+]1ccc(cc1/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C)/C=C/C=C(\C)/C=C/C3=C(CCCC3(C)C)C)OC(=O)CCCCCCCCCCCCCCC A101000
CCCCOc1ccc(cc1Cl)c2cc(cnc2)C(=O)NCc3cccnc3N4CCOCC4 A101250
[2H]C1(C(OC(C(N1c2c(cccn2)CNC(=O)c3cc(cnc3)c4ccc(c(c4)Cl)OCCCC)([2H])[2H])([2H])[2H])([2H])[2H])[2H] A101252
c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)NC4CC4 A104990
c1nc2c(nc(nc2n1[C@@H]3C[C@H](C=C3)CO)N)NC4CC4.Cl A104995
[2H]C1(C(C1([2H])[2H])Nc2c3c(nc(n2)N)n(cn3)[C@@H]4C[C@H](C=C4)CO)[2H].Cl A104997
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)NCCSS(=O)(=O)C)C)C)(F)F A105000
[2H]C1(C(C1([2H])[2H])Nc2c3c(nc(n2)N)n(cn3)[C@@H]4C[C@@H](C=C4)CO)[2H] A105002
c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)C(=O)O)N)NC4CC4 A105005
c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)N)NC5CC5 A105010
c1nc2c(nc(nc2n1[C@H]3C[C@H](C=C3)CO)N)NC4CC4 A105015
c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)O)N)NC4CC4 A105020
CC(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C(C)C)OC[C@H]2C[C@H](C=C2)n3cnc4c3nc(nc4NC5CC5)N)C(=O)OC)OC(=O)C(C)C A105030
CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C A107000
CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)O)C A108200
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O A108490
[2H]c1c(c(c(nc1[2H])[2H])C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)[2H] A108492
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O A108495
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4c5cccnc5)C)C A108500
[2H]c1c(c(c(nc1[2H])[2H])C2=CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)[2H] A108502
C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5cccnc5)C)OS(=O)(=O)O A108515
C[C@]12CCC(CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4c5ccc[n+](c5)[O-])C)OS(=O)(=O)O A108520
CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)O)/C)O)(C)C A110000
[2H]C1=C([C@@](C(C(C1=O)([2H])[2H])(C)C)(/C=C/C(=C\C(=O)O)/C)O)C([2H])([2H])[2H] A110002
CC1=CC(=O)C[C@]([C@]1(/C=C/C(=C\C(=O)OC)/C)O)(C)C#C A110010
CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C A112500
[2H]C1(C(OC(C(N1CC[C@H](CSc2ccccc2)Nc3ccc(cc3S(=O)(=O)C(F)(F)F)S(=O)(=O)NC(=O)c4ccc(cc4)N5CCN(CC5)CC6=C(CCC(C6)(C)C)c7ccc(cc7)Cl)([2H])[2H])([2H])[2H])([2H])[2H])[2H] A112502
CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(cc6)Cl A112550
[2H]C1(C(N(C(C(N1Cc2ccccc2c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])c4ccc(cc4)C(=O)NS(=O)(=O)c5ccc(c(c5)[N+](=O)[O-])N[C@H](CCN(C)C)CSc6ccccc6)([2H])[2H])[2H] A112552
C[C@@]1(CCCN1)c2[nH]c3c(cccc3n2)C(=O)N A112580
CCCCC1CCN(CC1)CCCC(=O)c2ccccc2C.Cl A115600
CC(=O)NCCCS(=O)(=O)[O-].[Ca+2] A120000
[2H]C([2H])(C([2H])([2H])NC(=O)C)C([2H])([2H])S(=O)(=O)[O-] A120002
[2H]C([2H])([2H])C(=O)NCCCS(=O)(=O)[O-] A120003
CC1[C@H]([C@@H](C([C@H](O1)O[C@H]2[C@@H](C([C@H](OC2CO)O[C@H]3[C@@H](C([C@@H](OC3CO)O)O)O)O)O)O)O)NC4C=C(C(C(C4O)O)O)CO A123500
[2H]C([2H])([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C([2H])([2H])O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)N[C@H]4C=C([C@@H]([C@@H]([C@H]4O)O)O)CO)O)O)O)O)O A123502
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)N[C@H]4C=C([C@@H]([C@@H]([C@H]4OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C A123505
COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O A123580
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O.Cl A123590
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)C)O A123800
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CN(CC(COc2ccc(cc2C(=O)C)NC(=O)CCC)O)C(C)C)O A123890
CC(=O)OC1CN2CCC1CC2.[Cl] A130000
c1ccc(c(c1)CC(=O)OCC(=O)O)Nc2c(cccc2Cl)Cl A130400
[2H]c1c(c(c(c(c1[2H])CC(=O)O[13CH2][13C](=O)O)Nc2c(cccc2Cl)Cl)[2H])[2H] A130402
c1ccc(c(c1)CC(=O)OCC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Nc3c(cccc3Cl)Cl A130405
c1ccc(cc1)COC(=O)COC(=O)Cc2ccccc2Nc3c(cccc3Cl)Cl A130410
CCOC(=O)COC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl A130415
COC(=O)COC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl A130420
CC(=O)Nc1ccc(cc1)C(=O)O A130500
[2H]C([2H])([2H])C(=O)Nc1ccc(cc1)C(=O)O A130502
[2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])NC(=O)C)[2H] A130503
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)OCC(=O)O A130700
[2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)OCC(=O)O)C)[2H])[2H])Cl)[2H] A130702
c1cc2cccc3c2c(c1)C=C3 A130750
c1cc2[13c]3[13c](c1)[13cH][13cH][13cH][13c]3C=C2 A130752
CC(=O)C[C@H](c1ccc(cc1)[N+](=O)[O-])c2c(c3ccccc3oc2=O)O A130790
CC(=O)C[C@@H](c1ccc(cc1)[N+](=O)[O-])c2c(c3ccccc3oc2=O)O A130795
CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3ccccc3oc2=O)O A130800
[2H]c1c(c(c(c(c1C([2H])(CC(=O)C)c2c(c3ccccc3oc2=O)O)[2H])[2H])[N+](=O)[O-])[2H] A130802
CC(=O)NP(=O)(OC)SC A130850
CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C.C(=C\C(=O)O)\C(=O)O A130900
[2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)C(=O)C)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O A130902
CC1=CC(=O)[N-]S(=O)(=O)O1.[K+] A132500
[2H]C1=C(OS(=O)(=O)[N-]C1=O)C([2H])([2H])[2H].[K+] A132502
[2H]C(=O)C([2H])([2H])[2H] A132602
C/C=N/Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] A132700
CC(=O)c1cccc(c1)NC(=O)C A133000
CC(=N)N.Cl A133070
[2H]C([2H])([2H])C(=N)N.Cl A133072
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)COC(=O)C)OC(=O)C)NC(=O)C A133100
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)CO)O)O A134300
CC(=O)Nc1ccc(c(c1)C(=O)c2ccc(cc2OC(=O)C)N(C)C)C(=O)OC A135000
CC(=O)Nc1ccc(c(c1)C(=O)c2ccc(cc2OC(=O)C)N(C)C)C(=O)OC A135005
CC(=O)N[C@H]1CN([C@@H]2COC(O[C@H]2[C@@H]1OC(=O)C)c3ccccc3)C(=O)OC(C)(C)C A136260
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)OC(=O)C A137500
CC(=O)NC(=C)C(=O)O A137650
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCCCCN)CO)O)O A139000
Cc1ccc(c(c1NC(=O)C)C)N A139040
B(c1cc(ccc1NC(=O)C)N)(O)O A139500
CC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])N.[Na+].[Na+] A141000
Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)C A141500
[2H]C([2H])([2H])C(=O)Nc1c(n(n(c1=O)c2ccccc2)C)C A141502
CC(=O)Nc1ccc(cc1)S(=O)O A141870
CC(=O)Nc1ccc(cc1)S(=O)[O-].[Na+] A141871
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)O)[2H] A141872
CC(=O)Nc1ccc(cc1)S(=O)(=O)O A141875
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)O)[2H] A141877
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)O)[2H].c1ccncc1 A141878
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1O)OC(=O)c4ccccc4 A141990
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)OC1O)OC(=O)c4ccccc4 A142000
CC(=O)N[C@H]1CN([C@@H]2COC(O[C@H]2[C@@H]1O)c3ccccc3)C(=O)OC(C)(C)C A142210
CC(=O)N[C@@H]\1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O/C1=N\O)O A142425
CC(=O)N[C@@H]1C([C@H]2[C@@H](COC(O2)c3ccccc3)OC1O)O A142500
CC(=O)Nc1ccc(c(c1)C(=O)O)C(=O)c2ccc(cc2O)N(C)C A147500
CC(=O)Nc1ccc(c(c1)C(=O)c2ccc(cc2O)N(C)C)C(=O)O A147505
C[C@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O A148265
C[C@H](C(=O)OC)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O A148275
CC(=O)Nc1nc2c(c(n1)Cl)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C A149500
CC(=O)N/C(=C\c1ccccc1)/C(=O)O A150000
CC(=O)Nc1ccc2c(c1)C(=NCC(=O)N2)c3ccccc3Cl A150250
[2H]C([2H])([2H])C(=O)Nc1ccc2c(c1)C(=NCC(=O)N2)c3ccccc3Cl A150252
CC(=O)Nc1cc2ccccc2oc1=O A150400
Cc1c(c2ccccc2c(n1)NC(=O)C)C#N A150525
Cc1ccc(c(c1NC(=O)C)C)O A150535
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O)CO)O)O A150750
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O A150760
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O)CO)O)O A150765
C/C(=N\C#N)/N(C)Cc1ccc(nc1)Cl A150800
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1O)OC(=O)C A150835
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1OC(=N)C(Cl)(Cl)Cl)OC(=O)c4ccccc4 A150840
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OC(=N)C(Cl)(Cl)Cl)OC(=O)C A150850
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCCCCNC(=O)OCc2ccccc2)CO)O)O A151050
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)O)CO)O)O)O)O A151500
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)O)O)O A151550
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)NC(=O)C)O)O)O)O)O A151570
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A151600
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H](O2)[C@@H](CO)O)O)O)O A151750
CC(=O)N[C@@H]1[C@H]([C@@H](OC1=O)[C@@H](CO)O)O A151850
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C A151900
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O A151995
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O A152000
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O A152250
CC(=O)Nc1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I A168180
CC(=O)Nc1cc(ccc1O)Cl A168185
CCOC(=O)C(C[N+](C)(C)C)(C(=O)OCC)NC(=O)C.[I-] A168190
CCC(C(=O)O)NC(=O)C A168195
[2H]C([2H])([2H])CC(C(=O)O)NC(=O)C A168197
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O A152500
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O A152580
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H](C(O2)O)O)O)O)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O A153000
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)C(=O)O)O)O A153500
CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N/O)CO)O)O A155240
CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C A155250
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O A156000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])CO)O)O A156500
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@@H]([C@H](OC([C@H]2O)O)CO)O)CO)O)O A157000
CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N/OC(=O)Nc2ccccc2)CO)O)O A157245
[2H]c1c(c(c(c(c1[2H])[2H])NC(=O)O/N=C/2\[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)[2H])[2H] A157247
CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)CO)O)O A157250
[2H]c1c(c(c(c(c1[2H])[2H])NC(=O)O/N=C\2/[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)[2H])[2H] A157252
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@H](OC([C@@H]([C@H]2O)O)O)CO)CO)O)O A157280
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)N)CO)O)O A157310
CC(=O)N[C@H]1[C@@H]([C@H](OC([C@@H]1O)O)CO)O A158000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)c4ccccc4)O[C@@H]2OCc5ccccc5)OCc6ccccc6)CO)O)O A158160
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)CO)O)O A158175
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O A158250
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)OC1O)O A158350
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A158355
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1Oc4ccc(cc4)[N+](=O)[O-])O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A158360
CC(=O)N[C@H]1[C@H]([C@H](OC1=O)[C@@H](CO)O)O A158370
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O A158372
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)OC A158375
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A158376
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)COC(=O)C)OC(=O)C)OC(=O)C A158378
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H]3[C@@H](CO[C@H](O3)c4ccccc4)O[C@@H]2OCc5ccccc5)OCc6ccccc6)COC(=O)C)OC(=O)C)OC(=O)C A158379
CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccc(cc2)[N+](=O)[O-])COC(=O)C)OC(=O)C)OC(=O)C A158380
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CCCCCNC(=O)OCc2ccccc2)COC(=O)C)OC(=O)C)OC(=O)C A158382
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)COC(=O)C)OC(=O)C)OC(=O)C A158385
CC(=O)N/C(=C\c1ccc(c(c1)OC(=O)C)OC(=O)C)/C(=O)O A158388
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)F)O A158390
CC(=O)N[C@H]1CN[C@@H]([C@H]([C@@H]1O)O)CO A158400
CC(=O)NCCCCCC(=O)O A158410
CC(=O)N[C@@H]1CN[C@H]([C@@H]1O)CO A158415
CC(=O)NCCN(C)c1ccc(c(c1)O)C(=O)c2ccccc2C(=O)O A158425
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OC(=O)C)COC(=O)C)F)OC(=O)C A158435
CC(=O)Nc1nc(=O)c-2nc(c[nH]c2n1)C=O A158440
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)Oc2ccc(cc2)[N+](=O)[O-])O A158445
CC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])N=C=S.[Na+].[Na+] A158450
CC(=O)Nc1cccc2c1cccc2 A158455
CC(=O)Nc1cccc2c1cccc2S(=O)(=O)N A158460
CC(=O)Nc1cccc2c1cccc2S(=O)(=O)Cl A158465
CC(=O)Nc1ccc2c(c1)C(=NCC(=O)N2)c3ccccc3 A158470
[2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)Nc3c2cc(cc3)NC(=O)C)[2H])[2H] A158472
CC(=O)Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 A158475
CC(=O)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+] A158480
CCCCCCC(C(=O)C)NC(=O)C A158485
CC(=O)Nc1ccccc1O A158490
CC(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O A158495
CC(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+] A158500
[2H]C([2H])([2H])C(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O.[Na+] A158502
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)Nc4ccc(cc4)NC(=O)C A161150
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)O)O[C@@]5([C@H]([C@@H](C([C@@H](O5)[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)Sc6ccccc6)C(=O)OC)O)COCc7ccccc7)OCc8ccccc8)NC(=O)C)OCc9ccccc9)OCc1ccccc1)OCc1ccccc1 A161160
CC(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A161185
[2H]C([2H])([2H])C(=O)Nc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A161187
CC(=O)N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O)Nc2ccccc2)COC(=O)C)OC(=O)C)OC(=O)C A161195
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4 A161200
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COC(=O)C)OC(=O)C)OC(=O)C A161205
CC(=O)NC(CCc1c[nH]c2c1cccc2)(C(=O)O)C(=O)O A161210
CC(=O)Nc1ccc(cc1)O A161220
[2H]C([2H])([2H])C(=O)Nc1ccc(cc1)O A161221
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])O)[2H] A161222
CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])N)O.[Na+].[Na+] A161223
CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)[15NH][13CH2][13C](=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])N)O.[Na+].[Na+] A161224
[2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])N)O.[Na+].[Na+] A161226
[2H]C([2H])([2H])C(=O)Nc1ccc(cc1)OS(=O)(=O)O A161227
CC(=O)Nc1ccc(cc1)OS(=O)(=O)[O-].[K+] A161230
[2H]C([2H])([2H])C(=O)Nc1ccc(cc1)OS(=O)(=O)[O-].[K+] A161232
CC(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C)O A161235
[2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)c2cc(ccc2O)NC(=O)C([2H])([2H])[2H])O A161237
[2H]c1c(c(c(c(c1[2H])[2H])N([2H])C(=O)C)[2H])[2H] A161352
CC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 A161353
[2H]C([2H])([2H])c1nc2ccccc2c(=O)o1 A161362
CCOC(=O)[C@@H]([C@H](c1ccc(cc1)OCc2ccccc2)NC(=O)C)O A161380
CC(=O)Nc1nnc(s1)S(=O)(=O)N A161500
[2H]C([2H])([2H])C(=O)Nc1nnc(s1)S(=O)(=O)N A161502
c1ccc(c(c1)CC(=O)OCC(=O)OCC(=O)O)Nc2c(cccc2Cl)Cl A161550
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CC)n(n1)C A161600
[2H]C1(C(N(C(C(N1CC)([2H])[2H])([2H])[2H])CC(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] A161602
[2H]C([2H])(C([2H])([2H])O)NC(=O)CC(=O)C A161812
CC(=O)CC(=O)N(C)CCc1ccc(c(c1)OC)OC A161850
CC[Si](CC)(CC)O[C@@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)O[Si](CC)(CC)CC)C)OC(=O)CC(=O)C)C)OC(=O)C A161930
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)CC(=O)C A161950
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C A161960
CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)Br)C(=O)OC)OC(=O)C A162000
CC(=O)O[13C@H]1[13C@@H]([13C@H](O[13C@@H]([13C@@H]1OC(=O)C)Br)[13C](=O)OC)OC(=O)C A162002
CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2 A162650
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])NC(=O)NS(=O)(=O)c2ccc(cc2)C(=O)C)[2H] A162652
CC(=O)NO A163750
CC(=NOCC(=O)O)C A163810
CC(=NNc1c2ccccc2cnn1)C A163875
CC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCN(CC4)CCO.C(=C\C(=O)O)\C(=O)O A163930
[2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(=O)C.C(=C\C(=O)O)\C(=O)O A163932
CC(=O)Cc1cccnc1 A164000
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)C)[2H])[2H] A164017
[2H]C([2H])(CC(=O)C)C([2H])([2H])O A164022
[2H]C([2H])([2H])Oc1cc(ccc1C(=O)C)O A164092
CC(=O)OCOC(=O)C1CC(N(C1(C)C)OC(=O)C)(C)C A164125
CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)CBr A164135
[2H]C([2H])(C(COC(=O)C)COC(=O)C)C([2H])([2H])n1cnc2c1nc(nc2Cl)N A164152
CC(=O)Nc1ccc(cc1[N+](=O)[O-])OC(=O)C A164180
CC(=O)N[C@H](CSCCC(=O)COC(=O)C)C(=O)O A164250
CC(=O)OC1C[C@@H]([C@H](O1)COC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl A164255
CC(=O)c1c(cc(cc1OC(=O)C)O)O A164260
CC(=O)c1cncnc1 A164270
Cc1nnc2n1-c3ccc(cc3C(=NC2OC(=O)C)c4ccccc4)Cl A164280
CC(=O)OC1c2c(ccc(c2Cl)Cl)NC3=NC(=O)CN13 A164310
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)C4)C)C A164330
CC(=O)Oc1ccccc1C(=O)Oc2ccc(cc2)CCl A164360
Cc1ccc(cc1)OC(=O)c2ccccc2OC(=O)C A164365
CC(=O)OC1C(=O)Nc2ccc(cc2C(=N1)c3ccccn3)Br A164400
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)Br)C)C A164420
CC(=O)Oc1ccccc1/C=C/c2cc(ccc2Br)Cl A164450
[2H]C1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] A164487
C[C@H]([C@@H]1[C@H](NC1=O)OC(=O)C)O[Si](C)(C)C(C)(C)C A164500
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H]([C@@]4([C@@]3(CCC(C4)OC(=O)C)C)O)Cl)C A164660
CC(=O)C(CCOC(=O)C)Cl A164680
Cc1ncc2n1-c3ccc(cc3C(=NC2OC(=O)C)c4ccccc4F)Cl A164700
C[C@H](C/C=C/COC(=O)C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C A164740
C/C=C/C(=O)C1=C(C(CCC1(C)C)OC(=O)C)C A164850
Cc1cc(cc(c1NC(=O)C2CCCCN2C(=O)OC(C)(C)C)C)OC(=O)C A164890
CC(=O)Oc1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4c3 A165000
CC(=O)OCC(=O)c1ccc(cc1F)F A165090
[2H]C([2H])([2H])N(CCN1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC)C(=O)OC(C)Cl A165197
CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C)O A165285
CC1=N/C(=C/c2cc(c(c(c2)I)OC(=O)C)I)/C(=O)O1 A165350
CC(C(C)(C)C(=O)Cl)OC(=O)C A165380
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=C[C@@H](C4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C A165525
CCc1c(ncc(n1)C)C(C)OC(=O)C A165570
CC(=O)OCCc1ccc(cc1)O A165595
CC(c1ccc(c(c1)F)c2ccc(cc2)OC(=O)C)C(=O)OC A165620
[2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccc(cc2)OC(=O)C)C(=O)OC A165622
CC(C)N(C)CCc1c[nH]c2c1c(ccc2)OC(=O)C A165625
[2H]C([2H])(c1c[nH]c2c1c(ccc2)OC(=O)C)C([2H])([2H])N(C)C(C)C A165627
Cc1c(ncc(c1OC)CO)COC(=O)C A165630
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C A165740
CC(=O)Oc1cc(cc(c1)O)C=C A165760
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C A165790
CC(=O)Oc1c[nH]c2c1cccc2 A165850
CC1=N/C(=C\c2ccc(c(c2)OC(=O)C)I)/C(=O)O1 A165975
CC(=O)Oc1cc(cc(c1)I)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A166000
CC(=O)ON1C(CC(CC1(C)C)C(=O)OC)(C)C A166350
CC(=O)ON1C(CC(C1(C)C)C(=O)OC)(C)C A166380
CC(=O)Oc1ccc(c(c1)OC)OCC#N A166490
CC(=O)OCOC(COC(=O)c1ccccc1)COC(=O)c2ccccc2 A166570
[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)c1ccccc1)OCOC(=O)C)OC(=O)c2ccccc2 A166572
CC(=O)c1ccc(c(c1)COC(=O)C)OC(=O)C A166600
CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4C[C@@H](C5=O)OC(=O)COC(=O)C)C)C A166650
CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4C[C@@H](C5=O)OC(=O)C)C)C A166660
CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CCC5=O)C)C A166670
CC(=O)n1c2c(cn1)C[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC=C5OC(=O)C)C)C A166680
CC(=O)N1C(CCC1=O)COC(=O)C A166750
Cc1c(cccc1OC(=O)C)C(=O)O A166960
Cc1c(cccc1OC(=O)C)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)CO)O A166975
Cc1c(cccc1OC(=O)C)C(=O)Cl A166990
CC(=O)OCc1ncc2n1-c3ccc(cc3C(=NC2)c4ccccc4F)Cl A167125
CC(=O)OCc1ncc2n1-c3ccc(cc3C(=[N+](C2)[O-])c4ccccc4F)Cl A167135
Cc1c(ncc(c1Cl)COC(=O)C)C A167190
Cc1c([n+](cc(c1Cl)COC(=O)C)[O-])C A167200
Cc1cc(cnc1C)COC(=O)C A167235
Cc1cc(c[n+](c1C)[O-])COC(=O)C A167240
CC(=O)OCc1ccc(o1)C=O A167500
CC(=O)O[13CH2][13c]1[13cH][13cH][13c](o1)[13CH]=O A167502
CC(=O)OCc1ccc(o1)C(=O)O A167520
CC(=O)O[13CH2][13c]1[13cH][13cH][13c](o1)[13C](=O)O A167522
Cc1c(ncc(c1OC)C(=O)OC)COC(=O)C A167525
Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)COC(=O)C A167530
C[C@@H](CCC(=O)O)COC(=O)C A167540
CC(=O)OCN(CCCC(=O)c1cccnc1)N=O A167550
CC(=O)OC1(CC(=O)OC(=O)C1)C A167565
CC(=O)OC(C)(C)CO A167575
[2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])OC(=O)C A167577
CC(=O)OCC(=O)C=C A167585
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)OC(=O)C)c2ccccc2[N+](=O)[O-])C(=O)OC A167625
[2H][13C]([2H])([2H])[13C](=O)O A167642
[2H]C([2H])([2H])[13C](=O)O A167643
[2H][13C]([2H])([2H])C(=O)O A167644
CC(=O)Oc1cc(ccc1C(OC(=O)C)OC(=O)C)[N+](=O)[O-] A167645
CC(=O)OC1c2ccccc2N(c3ccccc3C1=O)C(=O)N A167650
CC(=O)OC1CCCCS1 A167660
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OC(=O)C A167680
CC(=O)O[C@@H](c1ccnc2c1cc(cc2)OC)[C@H]3C[C@@H]4CC[N@]3CC4=O A167700
CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2ccc(cc2)OC(=O)C)/c3ccccc3 A167775
CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)COC(=O)C)(C)C)O A167800
CC(=O)ON1C(C=C(C1(C)C)COS(=O)(=O)C)(C)C A167880
CC(=O)ON1C(C=C(C1(C)C)CSS(=O)(=O)C)(C)C A167900
Cc1cnc(c(c1OC(=O)C)C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC A167910
Cc1cnc(c(c1OC(=O)C)C)CSc2[nH]c3ccc(cc3n2)OC A167915
CC(=O)N1CCC(CC1)/C(=N\OC(=O)C)/c2cc(ccc2O)F A167950
CC(=O)NC(CCc1ccc(cc1Cl)Sc2cccc(c2)OCc3ccccc3)(COC(=O)C)COC(=O)C A167970
[2H]c1cc(c(c(c1NC(=O)C([2H])([2H])[2H])[2H])SC[C@@H](C(=O)OCC=C)NC(=O)C)O A167982
CC(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)COC(COC(=O)C)COC(=O)C A167985
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC=C4[C@@H]3CC=C2C1)O)C)C A167990
CC(=O)Nc1nc2c(c(n1)O)ncn2COCCOC(=O)C A167995
[2H]C([2H])(C([2H])([2H])OC(=O)C)OCn1cnc2c1nc(nc2O)NC(=O)C A167997
CC(=O)n1cc(c2c1cccc2)OC(=O)C A168010
CC(=O)Nc1nc2c(c(n1)O)ncn2COCCO A168015
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC=C4[C@@H]3CC=C2C1)O[Si](C)(C)C(C)(C)C)C)C A168020
CC(=O)n1cc(cc1c2ccccc2)OC(=O)C A168030
CCCSC[C@H](C(=O)O)NC(=O)C A168035
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])SC[C@H](C(=O)O)NC(=O)C A168037
CC(=O)NCCSC[C@@H](C(=O)O)NC(=O)C A168040
CC(=O)N[C@@H](CSCCC(=O)O)C(=O)O A168045
[2H]C([2H])([2H])C(=O)N[C@@H](CSCCC(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A168047
CC(=O)N[13CH]([13CH2]SCCC(=O)O)[13C](=O)O.C1CCC(CC1)NC2CCCCC2 A168048
CC(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 A168050
[2H]C(C(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)([2H])[2H] A168052
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O A168060
CC(=O)NCCC(=O)O A168070
CC(=O)NCCC(=O)ON1C(=O)CCC1=O A168075
CC(=O)N[C@H](CSCC=C)C(=O)O A168100
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC=C)C(=O)O A168102
CC(=O)Nc1nnc(s1)S A168105
[2H]C([2H])([2H])C(=O)Nc1nnc(s1)S A168107
CC(=O)Nc1c(c(c(c(c1I)C(=O)Cl)I)C(=O)Cl)I A168110
CC(=O)c1ccc(c(c1)C#N)N A168115
CC(=O)Nc1c([nH]c(=O)n(c1=O)C)N.O A168125
[2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)NC(=O)C.O A168127
CC(=O)N[C@@]1(CCc2c(ccc(c2C1)OC)OC)[13C](=O)O A168137
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)O)Cl)NC(=O)C A168147
CC(=O)N[C@@H]1C=C(O[C@@H]([C@@H]1O)[C@@H]([C@@H](CO)O)O)C(=O)O A168160
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OC[C@@H](C(=O)OCC(=O)c4ccccc4)NC(=O)OCC5c6ccccc6-c7c5cccc7)OC(=O)c8ccccc8 A168165
[2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)NC(=O)C)[2H])[2H] A168172
CC(=O)Nc1ccc(c(c1)Cl)O A168175
CC(=O)N[C@@H]1[C@H](C([C@](OC1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)Sc2ccccc2)OC(=O)C A168200
CC(=O)N[C@@H]1[C@H](C([C@](OC1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)Sc2ccccc2)OC(=O)C A168205
CC(=O)Nc1c([nH]c(=O)n(c1=O)C)NC=O A168210
[2H]C([2H])([2H])C(=O)Nc1c([nH]c(=O)n(c1=O)C)NC=O A168212
[2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)NC=O)NC(=O)C A168213
CC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O)O A172170
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)OC)O A172190
CC(=O)NC1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)[O-])O.[Na+] A172200
CC(=O)N1Cc2c(cccc2O)C=C1 A172280
CC(=O)OC1C[C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3 A173500
CC(=O)N[C@]12C[C@@H]3C[C@H](C1)C[C@@](C3)(C2)C A173510
CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)COC(=O)C A173515
CC(=O)OC[C@@H]1C[C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)c3ccccc3C2=O)OC(=O)C A173525
CC(=O)NC(CSCCCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179075
[2H]C([2H])([2H])C(=O)NC(CSCCCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179077
CC(CCO)SC[C@H](C(=O)[O-])NC(=O)C.C1CCC(CC1)[NH2+]C2CCCCC2 A179125
[2H]C([2H])([2H])C(=O)N[C@@H](CSC(C)CCO)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179127
CC(=O)N[C@H](CSCC(C(=O)N)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179130
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C(=O)N)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2 A179132
CC(=O)NCCc1c[nH]c2c1cc(cc2)O A179160
CC(=O)/N=c/1\n(nc(s1)S(=O)(=O)O)C A179170
[2H]C([2H])([2H])n1/c(=N\C(=O)C)/sc(n1)S(=O)(=O)O A179172
CC1=C(c2ccccc2/C(=N/C(=O)C)/C1)C#N A179180
CC(=O)OC1C=CC(=O)CO1 A187495
CC(=O)N1CCN(CC1)c2ccc(cc2)Oc3cc(ccc3OCC4COC(O4)(Cn5ccnc5)c6ccc(cc6Cl)Cl)N7CCN(CC7)C(=O)C A187500
CC(=O)OCC(CC#N)Cc1cccc(c1)OC A187505
CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)O)O A187510
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC=C4[C@H]3CCC5=CC(=O)C=C[C@@]54C)C)OC(O2)(C)C A187515
CC(=O)Oc1cccc2c1c(c[nH]2)CCN(C)C.C(=C/C(=O)O)\C(=O)O A187520
[2H]C([2H])(c1c[nH]c2c1c(ccc2)OC(=O)C)C([2H])([2H])N(C)C.C(=C/C(=O)O)\C(=O)O A187522
CC(=O)c1ccc(c2c1cccn2)OCc3ccccc3 A187525
CC(=O)c1ccc(c2c1ccc(=O)[nH]2)OCc3ccccc3 A187530
CC(=O)c1ccc(c2c1ccc[n+]2[O-])OCc3ccccc3 A187535
CCS[C@@]1(C([C@@H]([C@H](C(O1)[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)Sc2ccccc2)C(=O)OC A168215
CC(=O)N[C@@H]1C[C@@H](C=C1)C(=O)OC A168245
CCOC(=O)c1ccc(c(c1)O)NC(=O)C A168250
C[C@@H]1CC(=O)NN=C1c2ccc(cc2)NC(=O)C A168260
CC(=O)Nc1ccc(cc1C(=O)OC)OCc2ccccc2 A168270
CC(=O)Nc1ccc(cn1)c2ccccc2 A168290
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)S(=O)(=O)c4ccc(cc4)NC(=O)C)O)(C)O)C)C)C)O)(C)O A168295
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)N(C)[C@H]2C[C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]3(C)O)C)C)C)O)(C)O)CC)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O)(C)OC)C)C)[2H] A168297
CC(=O)Nc1cc2cccc3c2c(c1)C(=O)N(C3=O)CCN(C)C A168300
[2H]C([2H])([2H])N(CCN1C(=O)c2cccc3c2c(cc(c3)NC(=O)C)C1=O)C([2H])([2H])[2H] A168302
C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)NC(=O)C)O A168310
CC(=O)Nc1ccc(c(c1)C(=O)O)O A168320
[2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)C(=O)O)O A168322
CC(=O)Nc1ccc(c(c1)O)C(=O)O A168325
CC(=O)Nc1ccccc1 A168330
[2H]c1c(c(c(c(c1[2H])[2H])NC(=O)C)[2H])[2H] A168332
CC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 A168333
Cc1cccc(c1)NC(=O)C A168335
CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]1OC(OC2)(C)C)COP(=O)(OCCC#N)OCCC#N A168350
CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]1OC(OC2)(C)C)CO A168370
CC(=O)O[C@@H]1[C@H](O[C@@H]2[C@H]1OC(OC2)(C)C)COC(c3ccccc3)(c4ccccc4)c5ccccc5 A168390
CC(=O)c1cccc2c1oc(c2)C3CN(C(=O)O3)C(C)(C)C A168395
CC(=O)c1ccc2cc3ccccc3cc2c1 A168400
CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)Cl)OC(=O)C A168405
C/C=C/1\C[N@@]2CC[C@H]1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)OC)OC(=O)C A168410
CC[C@@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)[C@@H](C(=O)C)C(=O)N4[C@@H](COC4=O)c5ccccc5 A168415
CC(=O)O[C@H]1CC(=C[C@H]([C@H]1OC(=O)c2ccccc2)OC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)C(=O)OC A168420
CC(=O)OC1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OC(=O)c5ccccc5 A168425
[2H]C([2H])([2H])C(=O)N[C@@H](CSCc1ccccc1)C(=O)O A168427
CC(=O)N[C@H](CSCc1ccccc1)C(=O)O A168428
CC(=O)NC(Cc1c[nH]c2c1ccc(c2)Cl)C(=O)O A168430
CC(=O)N[C@H](Cc1c[nH]c2c1ccc(c2)Cl)C(=O)O A168431
CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)N A168435
[2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2c(c(c(c(c2[2H])[2H])NC(=O)C)[2H])[2H])[2H] A168437
[2H]C([2H])([2H])C(=O)C([2H])([2H])CCC(=O)O A168442
CC(=O)c1ccc2cc(ccc2c1)N(C)C A168445
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](CO[C@H](O2)c3ccc(cc3)OC)O[C@@H]1OC)O A168450
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C A168480
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C A168495
[2H]C1=C2[C@](C=CC1=O)([C@@]34[C@@H](O3)C[C@]5([C@H]([C@@H]4CC2([2H])[2H])C[C@H]([C@@]5(C(=O)C([2H])([2H])OC(=O)C)O)C)C)C A168497
C[C@H](CC=O)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C A168650
CC(=O)Nc1cc(cc(c1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 A168700
CC(=O)ON1CC(=O)c2c1ccc(c2Cl)Br A168765
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])Oc2c[nH]c3c2cc(cc3)Br)O.[Na+] A168800
C1CNCCc2c1nc(s2)N A168935
C1CNCCc2c1nc(s2)N A168936
CC(=O)OCC1COCC(O1)COCc2ccccc2 A169450
CC(=O)Nc1cc(ccc1C(=O)CCl)Cl A169490
CC(=O)c1ccccc1C(=O)O A169550
CC(=O)N=C1C=CC(=O)C=C1 A170000
CC(=O)c1cc2ccccc2s1 A170325
C[13C](=O)C1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2OC1=O)CC[C@@H]4OC(=O)c5ccccc5)C)C A170502
CC(=O)N1CCC(CC1)C(=O)c2ccccc2 A170625
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O A170802
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)OCc2ccccc2)O A170805
CCOC(=O)C(CCc1ccc(cc1Cl)Br)(C(=O)OCC)NC(=O)C A170940
CC(=O)Nc1ccc(cc1)S(=O)(=O)Cl A170950
[2H]c1c(c(c(c(c1N([2H])C(=O)C)[2H])[2H])S(=O)(=O)Cl)[2H] A170952
CC(=O)N[13c]1[13cH][13cH][13c]([13cH][13cH]1)S(=O)(=O)Cl A170953
CC(=O)Nc1ccc(cc1)/N=C(\C)/N(C)C A170965
[2H]C([2H])([2H])N(/C(=N/c1ccc(cc1)NC(=O)C)/C)C([2H])([2H])[2H] A170967
CC(=O)c1cccc(c1)C(=O)c2ccccc2 A170975
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cccc(c2)C(=O)C)[2H])[2H] A170977
CC(=O)c1cc(ccc1O)C[C@@H](C(=O)OC)NC(=O)OCc2ccccc2 A171010
CC(=O)c1cc(ccc1OCc2ccccc2)C[C@@H](C(=O)OC)NC(=O)OCc3ccccc3 A171020
CC(C)[C@@H](C(=O)OCC(COC(=O)C)OCn1cnc2c1nc([nH]c2=O)N)NC(=O)OCc3ccccc3 A171090
[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)[C@H](C(C)C)NC(=O)OCc1ccccc1)OCn2cnc3c2nc([nH]c3=O)N)OC(=O)C A171092
C/C=C(/c1ccc(cc1)OC(=O)C)\C(=C/COC(=O)C)\c2ccc(cc2)OC(=O)C A171125
CC(=O)NCCc1cn(c2c1cc(cc2)OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C A171135
[2H]C([2H])([2H])C([2H])([2H])C(C(=O)C)C(=O)OCC A171152
CC(=O)NCCc1cn(c2c1cc(cc2)O)C(=O)OC(C)(C)C A171155
CC(=O)NCCc1cn(c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC(C)(C)C A171160
CC(=O)NCCc1c[nH]c2c1cc(cc2)OC(=O)OC(C)(C)C A171165
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]2C[C@@H](O[C@H](CC(=O)O1)[C@@H](C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O[Si](C)(C)C(C)(C)C)(C)O)N(C)C)OC(=O)C)OC)O[Si](C)(C)C(C)(C)C)C)OC5CC[C@@H]([C@H](O5)C)N(C)C A171170
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]2C[C@@H](O[C@H](CC(=O)O1)[C@@H](C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)O[Si](C)(C)C(C)(C)C)(C)O)N(C)C)OC(=O)C)OC)O[Si](C)(C)C(C)(C)C)C)OC5CC[C@@H]([C@H](O5)C)NC A171180
CC(=O)C1CCOC1=O A171250
[2H]C1(C(C(=O)OC1([2H])[2H])C(=O)C)[2H] A171252
CC(=O)Oc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/C=C/C(=O)OC A171795
CC(=O)Oc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/C=C/C(=O)OC A171800
CC(=O)N[C@H](CSCCC(=O)N)C(=O)O A171870
[2H]C([2H])([2H])C(=O)N[C@@H](CSCCC(=O)N)C(=O)O A171872
CCOC(=O)n1cc(c2c1cc(c(c2)OC)C(=O)C)CCNC(=O)C A171960
CCOC(=O)C(CCc1c[nH]c2c1cccc2)(C(=O)OCC)NC(=O)C A172000
CC(CC(=O)[O-])SC[C@@H](C(=O)[O-])NC(=O)C.[Na+].[Na+] A172005
[2H]C([2H])([2H])C(=O)N[C@@H](CSC(C)CC(=O)[O-])C(=O)[O-].[Na+].[Na+] A172007
CC(CSC[C@H](C(=O)O)NC(=O)C)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172010
[2H]C([2H])([2H])C(=O)N[C@H](CSCC(C)C(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172012
CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O A172015
CCOC(=O)C(C)CSC[C@H](C(=O)O)NC(=O)C A172020
[2H]C([2H])([2H])C(=O)N[C@H](CSCC(C)C(=O)OCC)C(=O)O A172022
CC(=O)c1cnc(cn1)Cl A172025
CC(=O)C1(CCOC1=O)Cl A172030
CC(=O)NC(CCl)C(=O)OC A172035
CC(=O)N[C@@H](CCl)C(=O)OC A172038
CC(=O)N1CCC(CC1)C(=O)c2ccc(cc2)Cl A172043
CC(=O)N1CCC(CC1)C(=O)c2ccc(cc2)Cl.Cl A172045
[2H]C([2H])([2H])[N+](CCOC(=O)C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-] A172052
CC(=O)OCC[N+](C)(C)C.[Cl-] A172060
[2H]C([2H])([2H])[N+](CCOC(=O)C)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-] A172062
CC(C(=O)c1ccc2c3cc(ccc3n(c2c1)C(=O)C)Cl)Cl A172065
CC(=O)O[C@H]1C=C[C@H]2[C@@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C)OC A172070
CC(=O)N[C@H](CSCC(C#N)C(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172075
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C#N)C(=O)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172077
CC(=O)N[C@@H](CSC(CO)C#N)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172080
[2H]C([2H])([2H])C(=O)N[C@@H](CSC(CO)C#N)C(=O)O.C1CCC(CC1)NC2CCCCC2 A172082
CCOC(=O)C(Cc1ccc(cc1)C(=O)c2ccccc2)(C#N)NC(=O)C A172085
[2H]C([2H])([2H])C(=O)N[C@@H](CSCCC#N)C(=O)O A172087
CC(=O)N[C@H](CSCCC#N)C(=O)O A172088
CC(=O)N1CCC(CC1)C#N A172090
CC(=O)N[C@@H](CS)C(=O)O A172091
[2H]C([2H])([2H])C(=O)N[C@@H](CS)C(=O)O A172092
CC(=O)N[C@H](CS)C(=O)OCC=C A172095
CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)[O-])NC(=O)C)O.[Na+] A172100
[2H]c1cc(c(c(c1NC(=O)C([2H])([2H])[2H])[2H])SC[C@@H](C(=O)[O-])NC(=O)C)O.[Na+] A172102
CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)OC)NC(=O)C)O A172110
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N(CC)C(=O)C A173542
CC(=O)N(C)CC/C=C/1\c2ccccc2COc3c1cccc3 A173545
C[C@@H]([C@H](c1cnc2c(n1)c(=O)[nH]c(n2)NC(=O)C)OC(=O)C)OC(=O)C A173560
CC(=O)N[C@H](CSC=C(Cl)Cl)C(=O)O A173580
[2H]C([2H])([2H])[13C](=O)N[C@@H](CSC=C(Cl)Cl)C(=O)O A173582
CC(=O)N[C@H](CS/C(=C/Cl)/Cl)C(=O)O A173585
[2H]C([2H])([2H])[13C](=O)N[C@@H](CS/C(=C/Cl)/Cl)C(=O)O A173587
CCC(CC)C(C(=O)O)NC(=O)C A173630
CC/C(=C(/CC)\c1ccc(cc1)OC(=O)C)/c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A173650
CC(=O)N1CCN(CC1)Cc2ccc(cc2F)F A173655
[2H]C1(C(N(C(C(N1Cc2ccc(cc2F)F)([2H])[2H])([2H])[2H])C(=O)C)([2H])[2H])[2H] A173657
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O A173660
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)O)O A173665
CC(=O)N1CC(=O)c2c1nccc2 A173675
CC1Cc2cc(ccc2N1C(=O)C)OC A173680
CC1Cc2cc(ccc2N1C(=O)C)O A173685
CC([C@]1(C[N@@]2CC[C@H]1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)OC)OC(=O)C)O)O A173690
CC(=O)N[C@H](CSCCC(CO)O)C(=O)O A173710
[2H]C([2H])(C([2H])([2H])SC[C@H](C(=O)O)NC(=O)C)C([2H])(C([2H])([2H])O)O A173712
CC([C@]1(C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)OC(=O)C)O)O A173720
CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C3COC(O3)(C)C)OC(O2)(C)C A173735
CC(=O)[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C)C A173740
CC(=O)OC1=C(O[C@H]2[C@@H]1OC(O2)(C)C)C3COC(O3)(C)C A173745
Cc1ccc(c(c1)C)SC[C@@H](C(=O)O)NC(=O)C A173750
[2H]C([2H])([2H])C(=O)NC(CSc1ccc(cc1C)C)C(=O)O A173752
Cc1ccc(cc1C)SC[C@@H](C(=O)O)NC(=O)C A173755
[2H]C([2H])([2H])C(=O)N[C@@H](CSc1ccc(c(c1)C)C)C(=O)O A173757
CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A173760
CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COC3(O[C@@H]4[C@@H]([C@H]([C@@H](O[C@@H]4O3)COC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC5(O[C@H]6[C@H]([C@@H]([C@H](O[C@H]6O5)COC(=O)C)OC(=O)C)OC(=O)C)C A173765
Cc1ccc(c(c1)SC[C@@H](C(=O)O)NC(=O)C)C A173770
[2H]C([2H])([2H])C(=O)N[C@@H](CSc1cc(ccc1C)C)C(=O)O A173772
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)O)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A173775
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC2CO2 A173780
[2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2C(=O)C)NC(=O)CCC)[2H] A173782
CCOC(=O)CC(C)SC[C@@H](C(=O)O)NC(=O)C A173787
CCOC(=O)CC(C)SC[C@@H](C(=O)O)NC(=O)C.C1CCC(CC1)NC2CCCCC2 A173790
CCOC(=O)CC(C)SC[C@@H](C(=O)O)NC(=O)C.C1CCC(CC1)NC2CCCCC2 A173792
CC(=O)O[C@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(cc2)F)c3ccc(cc3)O)c4ccc(cc4)F A173795
[2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@H](c3ccc(cc3)F)OC(=O)C)c4ccc(cc4)O)[2H])[2H])F)[2H] A173797
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)[C@@H]3[C@H](C(=O)N3c4ccc(cc4)F)CC[C@H](c5ccc(cc5)F)OC(=O)C)C(=O)OC)OC(=O)C A173800
[2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@H](c3ccc(cc3)F)OC(=O)C)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)[2H])[2H])F)[2H] A173802
[2H]C([2H])([2H])[C@H](CCCC)CC(=O)/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCC(C(=O)OC)[Se]c2ccccc2)OC(=O)C)OC3CCCCO3 A173817
CCc1cccc2c1oc(c2)C(=O)C A173820
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C A173825
CCSC[C@H](C(=O)O)NC(=O)C A173830
[2H]C([2H])([2H])C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C A173832
C[C@H]([C@H](c1ccccc1)O)N(C)C(=O)C A173850
[2H]C([2H])([2H])C(=O)N(C)[C@H](C)[C@H](c1ccccc1)O A173852
C[C@@H]([C@@H](c1ccccc1)O)N(C)C(=O)C A173860
CC(=O)N1CC1 A174000
[2H]C1(C(N(C(=O)N1)C(=O)C)([2H])[2H])[2H] A174602
CC(=O)N(Cc1ccccc1O)CC(OC)OC A174800
CCOC(=O)C(C)(Cc1ccc(c(c1)OC)OC)NC(=O)C A174840
CC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 A175000
CC(c1ccc(c(c1)F)c2ccc(cc2)C(=O)C)C(=O)OC A175825
[2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccc(cc2)C(=O)C)C(=O)OC A175827
CC(=O)N1CCC(CC1)/C(=N\O)/c2cc(ccc2O)F A175850
CC(=O)NCCO/N=C(\CCCC(=O)O)/c1ccc(cc1)C(F)(F)F A175900
[2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])NCc2c[nH]c-3nc(nc(=O)c3n2)NC(=O)C)[2H] A176002
CC(=O)OCCOCn1cnc2c1nc(nc2Cl)NC=O A176020
CC(=O)n1cc(c2c1nccc2)C=O A176040
CC(=O)NCCC(=O)c1cc(ccc1NC=O)OC A176100
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)CO)O)O A177000
CC(=O)OC[C@@H]1[C@H](C([C@@H](O1)n2ccc(nc2=O)N)(F)F)O A177500
CC(=O)Oc1cc(cc2c1c(=O)c(co2)c3ccc(cc3)O[Si](C)(C)C(C)(C)C)O A177740
CC(=O)Oc1cc(cc2c1c(=O)c(co2)c3ccc(cc3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A177750
CC(=O)Oc1cc(cc2c1c(=O)c(co2)c3ccc(cc3)O[Si](C)(C)C(C)(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A177760
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A178000
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A178002
CC(=O)N[13C@@H]1[13C@H]([13C@@H]([13C@H](O[13CH]1O)[13CH2]O)O)O A178003
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A178200
CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)COC(=O)C)O)O A178205
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O)O.[Na+] A178210
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O)O.[Na+] A178212
CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)CO)OC(=O)C)OC(=O)C A178215
CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)COC(=O)C)O)OC(=O)C A178220
CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)COC(=O)C)OC(=O)C)O A178225
C[C@@H](C(=O)O)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C A178230
CC(=O)NC(CCP(=O)(C)[O-])C(=O)[O-].[Na+].[Na+] A178235
[2H]C([2H])([2H])C(=O)NC(CCP(=O)(C)[O-])C(=O)[O-].[Na+].[Na+] A178237
CC(=O)N(CC(=O)O)CP(=O)(O)O A178245
CC(=O)[15N](CP(=O)(O)O)[13CH2][13C](=O)O A178247
[2H]C([2H])([2H])C(=O)N(CC(=O)O)CP(=O)(O)O A178248
CC(=O)Nc1[nH]c2c(c(=O)n1)[nH]cn2 A178250
CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2c(c1)[C@@H]3[C@@H](CC2)N(CCO3)C(=O)C A178275
CC(=O)OCC[C@@H](C(=O)O)N.Cl A178300
CC(=O)NC(CCc1c[nH]c2c1cccc2)C(=O)O A178400
CCOC(=O)C(CCc1c[nH]c2c1cccc2)NC(=O)C A178500
CC(=O)N[C@H](CSC/C=C\CO)C(=O)O A178645
[2H]C([2H])([2H])C(=O)N[C@@H](CSC/C=C\CO)C(=O)O A178647
CC(=O)N[C@H](CSC/C=C/CO)C(=O)O A178650
[2H]C([2H])([2H])C(=O)N[C@@H](CSC/C=C/CO)C(=O)O A178652
CC(=O)N[C@H](CSC/C=C/CO)C(=O)OC A178660
C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C A178850
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)O)O)C)O A178875
[2H][C@]12[C@@H](C[C@@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COC(=O)C)O A178877
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)O)C)O A178880
[2H][C@]12[C@@H](C[C@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COC(=O)C)O A178882
C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)O A178890
CC(=O)N[C@@H](CSCCO)C(=O)O.C1CCC(CC1)NC2CCCCC2 A178911
[2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C)O.C1CCC(CC1)NC2CCCCC2 A178912
CC(=O)n1cc(c2c1cccc2)O A178950
CCCC(=O)Nc1ccc(c(c1)C(=O)C)O A178975
CC(=O)N[C@H](CSC(CO)C(=O)N)C(=O)OC(C)(C)C A178985
CC(=O)N[C@H](CSCC(C(=O)N)O)C(=O)OC(C)(C)C A178990
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C=CC4=O)C)C A178995
CC(=O)N[C@H](CSCC(C=C)O)C(=O)O.CC(=O)N[C@H](CSC(CO)C=C)C(=O)O A179005
[2H]C(=C([2H])C([2H])(C([2H])([2H])SC[C@H](C(=O)O)NC(=O)C)O)[2H].[2H]C(=C([2H])C([2H])(C([2H])([2H])O)SC[C@H](C(=O)O)NC(=O)C)[2H] A179007
CC(=O)N[C@H](CSCC(C)(C=C)O)C(=O)O A179015
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C)(C=C)O)C(=O)O A179017
CC(=C)C(CO)SC[C@H](C(=O)O)NC(=O)C.CC(=C)C(CSC[C@H](C(=O)O)NC(=O)C)O A179020
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C(=C)C)O)C(=O)O.[2H]C([2H])([2H])C(=O)N[C@@H](CSC(CO)C(=C)C)C(=O)O A179022
CC(=O)N[C@H](CSC(CO)c1ccccc1)C(=O)O A179025
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC(c1ccccc1)O)C(=O)O.[2H]C([2H])([2H])C(=O)N[C@@H](CSC(CO)c1ccccc1)C(=O)O A179027
CC(=O)N1CCN(CC1)c2ccc(cc2)O A179045
[2H]C1(C(N(C(C(N1c2ccc(cc2)O)([2H])[2H])([2H])[2H])C(=O)C)([2H])[2H])[2H] A179047
CC(CSC[C@H](C(=O)O)NC(=O)C)O.C1CCC(CC1)NC2CCCCC2 A179060
[2H]C([2H])([2H])C(=O)N[C@@H](CSCC(C)O)C(=O)O.C1CCC(CC1)NC2CCCCC2 A179062
CC(=O)c1cc2ccccc2[nH]1 A179250
CC(=O)N1CCN(CC1)c2ccc(cc2)OCOC A179255
CC(=O)N[C@@H](Cc1ccc(c(c1)I)Oc2ccc(cc2)OC)C(=O)N A179360
CC(=O)N[C@H](Cc1ccc(c(c1)I)O)C(=O)N A179410
CC(=O)N[C@H](Cc1ccc(c(c1)I)O)C(=O)O.O A179425
C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(c1=O)C)OC(=O)C A179500
CC(=O)NNC(=O)c1ccncc1 A179520
[2H]c1c(nc(c(c1C(=O)NNC(=O)C)[2H])[2H])[2H] A179522
CC(=O)N1CCC(CC1)C(=O)O A179540
CC(=O)N1CCC(CC1)C(=O)Cl A179550
CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc4c3ncnc4N)OC(O2)(C)C A179575
CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C(CO)O)OC(O2)(C)C A179640
CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C(=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(O2)(C)C A179730
CC(=O)Oc1cc(ccc1OC)C=O A179735
Cc1ccc(c(c1)C)SCC(C(=O)O)NC(=O)C A179749
CC(=O)O[C@@H]1[C@@H]2[C@H](O[C@H]1C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)O)OC(O2)(C)C A179760
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O A180000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])O)O)O)O.[Na+].[Na+] A184990
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OC(=O)C)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A185000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O.[Na+] A185010
CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)COC(=O)C)Cl A185300
Cc1ccc(c(n1)C)C(=O)C A185500
CC(=O)N[C@@H](CCCCN)C(=O)O A185540
CC(=O)N[C@@H](CCCCN)C(=O)N.Cl A185550
CC(=O)OC1CC(=O)OC1=O A185850
CC(=O)O[C@@H]1CC(=O)OC1=O A185865
CC(=O)O[C@@H]1CC(=O)OC1=O A185870
CC(=O)O[C@@H](c1ccccc1)C(=O)O A185960
CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A186199
CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)CO)O)O A186200
CC(=O)N[13C@H]1[13C@H]([13C@@H]([13C@H](O[13CH]1O)[13CH2]O)O)O A186202
CC(=O)N[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)C)C A186250
CC(=O)[O-].c1cc(ccc1N2C(=O)C=CC2=O)[Hg+] A186280
CC(=O)[O-].c1cc(ccc1NC(=O)/C=C\C(=O)O)[Hg+] A186290
CC(=O)NCCc1cc(c(c(c1)OC)OC)OC A186300
[2H]C([2H])([2H])C(=O)NCCc1cc(c(c(c1)OC)OC)OC A186302
CC[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl A186320
CC[C@@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl A186325
[2H]C([2H])([2H])C[C@@H](C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl A186327
CC(=O)NC(CCSC)C(=O)OC A186350
CC(=O)NCCC(=O)c1cc(ccc1N)OC.Cl A186500
CCOC(=O)CCCOc1cc(c(cc1OC)C(=O)C)[N+](=O)[O-] A186515
CCOC(=O)CCCOc1ccc(cc1OC)C(=O)C A186530
CC(=O)N(C)CCCC(c1cccnc1)O A186560
CC(=O)N(C)CCCC(c1cccnc1)O A186562
CC(=O)N(C)CCCC(=O)c1cccnc1 A186585
Cc1ccc(cc1)C(=O)C2CCN(CC2)C(=O)C A186610
CC(=O)N[C@H](CSC(=O)NC)C(=O)O A186625
[2H]C([2H])([2H])C(=O)N[C@@H](CSC(=O)NC)C(=O)O A186627
CC(=O)N[C@@H](CSC)C(=O)O A186640
[2H]C([2H])([2H])SC[C@@H](C(=O)O)NC(=O)C A186642
CC(=O)NC(C)(Cc1ccc(c(c1)OC)OC)C(=O)O A186650
C[C@H](c1ccccc1)N.CC(=O)N[C@](C)(Cc1ccc(c(c1)OC)OC)C(=O)O A186660
CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 A186680
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O A186700
CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)O)O)(C(=O)O)OC)O A186705
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC)OC(=O)C A186720
CC1=C(C(NC(=O)N1)c2ccccc2)C(=O)C A186750
Cc1ccc(cn1)C(=O)C A186790
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)c4c3ccc(c4)OC)C A186820
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OC)C A186830
CCN(CC)CCNC(=O)c1cc(c(cc1OC)NC(=O)C)Cl A186860
[2H]C([2H])([2H])Oc1cc(c(cc1C(=O)NCCN(CC)CC)Cl)NC(=O)C A186862
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)O A186900
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)O A186902
CC(=O)O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O A186905
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O A186907
CC(c1ccc2ccccc2c1)c3ccccc3C(=O)C A186970
CC(=O)N(C)C[C@@H](c1cccc(c1)O)O A186985
CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O A187000
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O A187002
CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)OC(=O)C A187030
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC(=O)C)OC(=O)C A187032
CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O A187250
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)O)O A187252
Cc1ccc(c(c1NC(=O)C)C)[N+](=O)[O-] A187260
CC(=O)O[C@]12CCC(=O)[C@H]3[C@@]14CCN[C@@H]2Cc5c4c(c(cc5)OC)O3.Cl A187270
[2H]C\1=C2[C@](CC(/C1=N\OC(=O)C)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)OC(=O)C)CC)[2H] A187282
CC(=O)OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@@H]4[C@@H](O4)[C@H](C2)N3 A187285
CC(=O)N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)OC(=O)C)OC(=O)C A187290
CC(=O)N1CCc2cc(c(cc2C1Cc3ccc(c(c3)OC)OC)OC)OC A187295
[2H]C([2H])([2H])C(=O)N1CCc2cc(c(cc2C1Cc3ccc(c(c3)OC)OC)OC)OC A187297
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CC[C@@H](C4)O)C)C A187300
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C A187305
CC(=O)Oc1ccccc1C(=O)Oc2cccc(c2)CO A187310
CC(=O)OCC(=O)Nc1c(c(c(c(c1I)C(=O)Cl)I)C(=O)Cl)I A187315
CC(=O)O[C@]12CCC(=O)[C@H]3[C@@]14CCN([C@@H]2Cc5c4c(c(cc5)OC)O3)C A187320
CC(=O)O[C@H]1C[C@H]([C@@H]([C@H]1CCCCCCC(=O)OC)CO)OC2CCCCO2 A187325
CC(=O)Nc1ccc(c(c1)OC)OC(=O)C A187330
CC(=O)OC1C[C@H]([C@@H]([C@H]1C/C=C\CCCC(=O)OCc2ccccc2)C=O)OC3CCCCO3 A187335
C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)F A187340
CCCCCCCCc1ccc(cc1)CC[C@@](CO)(COC(=O)C)NC(=O)OCc2ccccc2 A187345
CC1=C(C(CCC1OC(=O)C)(C)C)C(=O)CC(C)OC A187350
Cc1cnc(c(c1OC(=O)C)C)CS(=O)c2[nH]c3ccc(cc3n2)OC A187355
CC(=O)N[C@@H](CSC(=S)NCCc1ccccc1)C(=O)O A187360
CC(=O)N[C@@H](C(=O)O)C(C)(C)S A187365
CC(=O)C(C#N)c1ccccc1 A187370
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C A187375
CC(=O)N[C@H](Cc1ccccc1)C(=O)O A187380
C[C@H](c1ccc(cc1)C(=O)C)NC(=O)C A187385
CC(=O)c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O A187390
CC(=O)N[C@@H]1C[C@@H](C=C1)COC(=O)C A187395
CC(C)C(=O)c1ccc(cc1)C(=O)C A187400
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C A187405
CC(=O)c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A187410
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C A187415
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC(O2)(C)C A187420
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2(C1C(=O)COC(=O)C)C)C A187425
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C A187430
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)Br)C)F A187435
CC(=O)O[C@H](CC(c1ccccc1C(=O)OC)Br)c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl A187440
CC(=O)O[C@H]1C[C@H]([C@@H]([C@H]1C/C=C\CCCC(=O)OCc2ccccc2)CO)OC3CCCCO3 A187445
CCCCC(C(=O)/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OCc2ccccc2)OC(=O)C)OC3CCCCO3)(F)F A187450
CC(=O)OCC(=O)[C@]1([C@@H](C=C2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)O A187455
CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@]([C@]4(C[C@@H]([C@@H]3[C@]2(CC1)C)O)C)(C(=O)COC(=O)C)O A187460
CC(=O)c1cc(ccc1O)CCOC(=O)C A187465
C[C@@H]1C[C@H]2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@H]1C(=O)COC(=O)C)C)C)F A187470
CC(=O)OCCN1C(=O)c2ccccc2C1=O A187475
CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)COC(=O)C)(C)C)O A187480
CC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)O)O A187485
CC(=O)O[C@H]1CN([C@@H]([C@H]([C@@H]1OC(=O)C)OC2[C@@H]([C@H]([C@@H]([C@H](O2)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)COCc7ccccc7)C(=O)OCc8ccccc8 A187545
CC(=O)c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3 A187565
CC(=O)N1CCC[C@@H]1C(=O)O A187590
CC(=O)c1cccnc1 A187600
CC(=O)N[C@@H](CSCc1ccc(cc1)c2ccccn2)C(=O)O A187620
[2H]C([2H])([2H])C(=O)N[C@@H](CSCc1ccc(cc1)c2ccccn2)C(=O)O A187622
CC(=O)C1=NCCC1 A187650
[13CH3][13C](=O)C1=NCCC1 A187652
CC(=O)c1ccc(c2c1ccc(=O)[nH]2)O A187660
CCC(=O)NCC[C@@H]1CCc2c1c3c(c(c2)C(=O)C)OCC3 A187675
CC(=O)Oc1ccc(cc1)/C=C\c2cc(cc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O A187690
CC(=O)Oc1cc(cc2c1C(=O)c3c(cccc3O)C2=O)C(=O)O A187700
CC(=O)Oc1cccc2c1C(=O)c3c(cc(cc3O)C(=O)O)C2=O A187705
CC(=O)ONC(=O)c1ccccc1O A187725
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)C A187735
CC(=O)c1ccc(c(c1)C(=O)OC)O A187755
[13CH2]=[13CH][13C]#N A191372
C=CC(=O)Nc1ccc(cc1)[Hg+].[Cl-] A191380
C=CC(=O)NCCCCc1ccc2ccc3cccc4c3c2c1cc4 A191475
CC(=O)Nc1ccc(cc1)CC(=O)O A191700
[2H]c1c(c(c(c(c1CC(=O)O)[2H])[2H])NC(=O)C)[2H] A191702
CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO A192000
c1nc2c(n1COCCO)nc(nc2O)N A192400
[2H]C([2H])(C([2H])([2H])OCn1cnc2c1nc(nc2O)N)O A192402
CC(=O)OCCOCn1cnc2c1nc(nc2O)N A192410
CCN[C@@H](C(C)C)C(=O)OCCOCn1cnc2c1nc(nc2O)N.Cl A192415
CC[C@H](C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)N A192420
CC(C)C[C@@H](C(=O)OCCOCn1cnc2c1nc([nH]c2=O)N)N.Cl A192425
[2H]C([2H])(C([2H])([2H])OC(=O)[C@H](CC(C)C)N)OCn1cnc2c1nc([nH]c2=O)N.Cl A192427
CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)NC.Cl A192430
c1nc2c(n1COCCOP(=O)(O)O)nc(nc2O)N A192500
C1[C@@H]2CC3(C[C@@H](C2)C[C@@H]1C3)C(=O)N A207900
[2H][C@@]12C(C3(C([C@@](C1([2H])[2H])(C([C@@](C2([2H])[2H])(C3([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])C(=O)N)([2H])[2H] A207902
CC(=O)Oc1ccccc1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A187775
CC(=O)Oc1ccccc1C(=O)O A187780
[2H]c1c(c(c(c(c1[2H])C(=O)O)OC(=O)C)[2H])[2H] A187782
CC(=O)Oc1ccccc1C(=O)OC(=O)c2ccccc2OC(=O)C A187785
CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O A187788
CC(=O)NCCc1c[nH]c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O A187790
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)OC(=O)C)C A187795
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CC[C@@H]([C@H](O4)C)N(C)C A187800
C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)OC(=O)C)CC=O)C)OC4CC[C@@H]([C@H](O4)C)N(C)C A187805
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2 A187810
CC(=O)N[13c]1[13cH][13cH][13c]([13cH][13cH]1)S(=O)(=O)Nc2ncccn2 A187813
CC(=O)N[C@H](Cc1cc(c(cc1F)F)F)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2 A187815
[2H]C([2H])([2H])C(=O)N[C@H](Cc1cc(c(cc1F)F)F)CC(=O)N2CCn3c(nnc3C(F)(F)F)C2 A187817
Cc1ccnc(n1)NS(=O)(=O)c2ccc(cc2)NC(=O)C A187820
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2nccc(n2)C)[2H] A187822
CC(=O)OC[C@H](c1ccccc1)C(=O)O[C@@H]2C[C@@H]3[C@@H]4[C@@H](O4)[C@H](C2)N3C.Br A187825
CC(=O)NCCc1c[nH]c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C A187830
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2c(c(ncn2)OC)OC A187840
Cc1cc(nc(n1)NS(=O)(=O)c2ccc(cc2)NC(=O)C)C A187850
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2nc(cc(n2)C)C)[2H] A187852
Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)NC(=O)C A187885
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2cc(on2)C)[2H] A187886
CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2 A187910
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2ccccn2)[2H] A187912
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2nccs2)[2H] A187976
CC(=O)NC1[C@H](C=C(O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C A188350
CC(=O)n1cc(c2c1cccc2)O[C@H]3C([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A188400
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A188450
CC(=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 A188485
CC(=O)N[C@@]1(CCc2c(ccc(c2C1)OC)OC)C(=O)[13CH3] A188497
CC(=O)C1=NCCCC1.Cl A188500
[13CH3][13C](=O)C1=NCCCC1.Cl A188502
CC(=O)N1CCc2cccc(c2C1)O A188505
CC(=O)CC(=O)N1C(C=C(C1(C)C)C(=O)N)(C)C A188510
CC(=O)N1C(C=C(C1(C)C)C(=O)N)(C)C A188520
CC(=O)N1C(C=C(C1(C)C)C(=O)O)(C)C A188530
CC(=O)N1C(C=C(C1(C)C)C(=O)ON2C(=O)CCC2=O)(C)C A188535
CC(=O)N1C(C=C(C1(C)C)COS(=O)(=O)C)(C)C A188560
CC(=O)N1C(C=C(C1(C)C)CO)(C)C A188570
CC(=O)N1C(C=C(C1(C)C)CSS(=O)(=O)C)(C)C A188600
CC(=O)[15N]1C(C=C(C1(C)C)CSS(=O)(=O)C)(C)C A188602
CC(=O)SCC(=O)O A188680
CCOC(=O)/C=C/1\CN(CCC1SC(=O)C)C(c2ccccc2Cl)C(=O)OC A188685
CC(=O)SCC(Cc1ccccc1)C(=O)O A188690
CC(=O)SCCCC#N A188695
CC(=O)SCCS(=O)(=O)[O-].[Na+] A188700
[2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])SC(=O)C.[Na+] A188702
CCOC(=O)/C=C/1\CN(CCC1SC(=O)C)C(c2ccccc2F)C(=O)C3CC3 A188705
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCSC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A188710
[2H]C([2H])([2H])N(C(=O)[C@@H]1C[C@@H](CN1C(=O)OCc2ccc(cc2)[N+](=O)[O-])SC(=O)C)C([2H])([2H])[2H] A188717
CC(=O)SC(C)(C)C(=O)O A188725
CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OC A188760
C[C@H](CSC(=O)C)C(=O)O A188770
CC(CSC(=O)C)C(=O)O A188775
[2H]C([2H])([2H])C(C(=O)O)C([2H])([2H])SC(=O)C A188777
CC(CSC(=O)C)C(=O)NCC(=O)OC(C)(C)C A188790
[2H]C([2H])([2H])C(C(=O)NCC(=O)OC(C)(C)C)C([2H])([2H])SC(=O)C A188792
CC(=O)SC[C@H]1CCN([C@@H]1c2cccnc2)C A188795
CC(=O)S[C@H](Cc1ccccc1)C(=O)O A188805
CC(=O)S[C@H](Cc1ccccc1)C(=O)O A188810
CC(=O)SCCC(=O)O A188835
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)Nc2cc(ncn2)OC)[2H] A188847
[2H]C1(C(N(C(=N1)Nc2c(ccc3c2nsn3)Cl)C(=O)C)([2H])[2H])[2H] A188872
CC(=O)N[C@H](Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)C(=O)O A188890
CC(=O)N[C@H](Cc1cc(c(c(c1)I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C(=O)O A188892
CCOC(=O)[C@@H](Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)NC(=O)C A188900
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A189225
CC(=O)OC1[C@@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 A189325
CC(=O)O[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 A189330
CC(=O)O[13C@H]1[13C@@H]([13C@@H]([13C@H](O1)[13CH2]OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 A189332
CC(=O)OC1[C@@H]([C@@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4 A189400
CC(=O)O[C@H]1[C@@H]([C@@H]([C@H](O1)COC(=O)c2ccc(cc2)Cl)OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl A189525
CC(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)O A189580
[2H]C([2H])([2H])C(=O)N[C@@H](CSC(=C(Cl)Cl)Cl)C(=O)O A189582
CC(=O)N1CCC(CC1)C(=O)c2cccc(c2)C(F)(F)F A189625
CC(=O)OCC(c1ccccc1)C(=O)O A189700
CC(=O)c1cc(ccc1O)C[C@@H](C(=O)O)N A189750
CC(=O)c1cc(ccc1O)C[C@@H](C(=O)OC)N.Cl A189755
CC(=O)NS(=O)(=O)Cc1c2ccccc2on1 A189800
Cc1cnc(c[n+]1[O-])C(=O)O A189850
[2H]c1c(ncc([n+]1[O-])C([2H])([2H])[2H])C(=O)O A189852
CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H]([C@@H]([C@@H]31)[C@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC A189875
Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C)C)OC A189900
[2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C)C A189902
Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C)C)OC A189905
[2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C A189907
Cc1cc(c(c(c1/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C)C)C)OC A189910
Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C)C)C)OC A189925
[2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C)C A189927
Cc1cc(c(c(c1/C=C/C(=C/C=C/C(=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C)C)OC A189930
[2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C\C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C)C A189932
C1[C@H](ON=C1Cl)[C@@H](C(=O)O)N A190150
C[C@@H]([C@@H]([C@H](CC=O)N)O)O.Cl A190250
c1ccc2c(c1)c(c3ccccc3n2)N A190880
c1ccc2c(c1)cc3ccccc3n2 A190900
C[n+]1c2ccccc2c(c3c1cccc3)C(=O)Oc4ccc(cc4)CCC(=O)ON5C(=O)CCC5=O.C(F)(F)(F)S(=O)(=O)[O-] A190925
c1ccc2c(c1)c(c3ccccc3n2)NC(=O)/C=C\C(=O)O A190935
c1ccc2c(c1)c(=O)c3ccccc3[nH]2 A190950
c1cc2c(cc1N)nc3cc(ccc3c2NCCNC(=O)CCCCC4C5C(CS4)NC(=O)N5)N A191100
C=CC=O A191200
[2H]C(=C([2H])C(=O)[2H])[2H] A191202
C=CC(=O)N A191300
[2H]C(=C([2H])C(=O)N)[2H] A191302
C=CC(=O)O A191350
[13CH2]=[13CH][13C](=O)O A191352
C=CC#N A191370
COC(=O)C12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 A208000
[2H]C(O)([C@@]12C[C@]3(C[C@@H](C1)C[C@@H](C2)C3)C(O)([2H])[2H])[2H] A208052
COc1c(cccc1)C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4 A208250
COc1c(cc(cc1)Br)C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4 A208300
C1[C@@H]2CC3(C[C@@H](C2)C[C@@H]1C3)COCCCCC=O A209000
C1C2CC3CC1CC(C2)(C3)COCCCCCN4CC([C@H]([C@@H](C4CO)O)O)O A210000
COc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)O)cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6 A225000
[2H]C(Oc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)O)cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)([2H])[2H] A225002
COc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)OC)cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6 A225010
[2H]C(Oc1c(cc(cc1)c2cc3c(cc(cc3)C(=O)OC([2H])([2H])[2H])cc2)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)([2H])[2H] A225012
c1c(ccc(c1)NCc2c(ccc(c2)O)O)C(=O)OC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5 A225020
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C)(C)C)SC1)C(=O)O A235000
CC(C)(C)NC[C@@H](c1ccc(c(c1)CO)O)O.Cl A514485
CC(C)(C)NC[C@H](c1ccc(c(c1)CO)O)O.Cl A514490
CC(C)(C)NCC(c1ccc(c(c1)C=O)O)O A514495
CC(C)(C)NCC(c1ccc(c(c1)CO)O)O.OS(=O)(=O)O A514500
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)CO)O)O A514502
CC(C)(C)NCC(c1ccc(c(c1)CO)OS(=O)(=O)O)O A514505
CC(C)(C)NCC(c1ccc(c(c1)CO)O)OC A514510
CC(C)(C)NCC(c1ccc(c(c1)Cc2cc(cc(c2O)CO)C(CNC(C)(C)C)O)O)O A514515
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)Cc2cc(cc(c2O)CO)C(CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)O)O A514517
CN1CCC(=C2c3ccccc3CCn4c2ncc4C=O)CC1 A514530
[2H]C([2H])([2H])N1CCC(=C2c3ccccc3CCn4c2ncc4C=O)CC1 A514532
CN1CCC(=C2c3ccccc3CCn4c2ncc4C(=O)O)CC1 A514535
C=CCN1c2ccccc2Sc3c1cccc3 A572200
CCC(=O)OC1(CCN(CC1CC=C)C)c2ccccc2.Cl A572300
[2H]c1c(c(c(c(c1[2H])[2H])C2(CCN(CC2CC=C)C)OC(=O)CC)[2H])[2H].Cl A572302
C=CCc1ccc(c(c1)O)C=O A575000
CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)OC(=O)OCC=C)/c3ccccc3 A575075
c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)O)N A247500
[2H]C([2H])(C([2H])([2H])OCP(=O)(O)O)n1cnc2c1ncnc2N A247502
CCN(CC)CC.c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N A247510
[2H]C([2H])(C([2H])([2H])OCP(=O)(O)OP(=O)(O)OP(=O)(O)O)n1cnc2c1ncnc2N.CCN(CC)CC A247512
CCN(CC)CC.c1nc(c2c(n1)n(cn2)CCOCP(=O)(O)OP(=O)(O)O)N A247515
[2H]C([2H])(C([2H])([2H])OCP(=O)(O)OP(=O)(O)O)n1cnc2c1ncnc2N.CCN(CC)CC A247517
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c1ncnc2N)O A247525
c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O)N A280400
c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH]([13C@H](O3)[13CH2]O)O)O)N A280402
c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N.[Na+] A280450
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])O)N.[Na+] A280455
CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c1ncnc2N)OCOC(=O)C(C)(C)C A280465
c1[nH]c2c(ncnc2n1)N A280480
CC[NH+](CC)CC.c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N A280500
CC[NH+](CC)CC.c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]4[13C@@H]([13C@H](O3)[13CH2]O)OP(=O)(O4)[O-])N A280502
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+] A281700
B1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3ncnc4N)c5ccccc5 A281750
c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)OP(=O)(O)O)O)N.c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)OP(=O)(O)O)N A281775
c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH]([13C@H](O3)[13CH2]O)OP(=O)(O)O)O)N.c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH]([13C@H](O3)[13CH2]O)O)OP(=O)(O)O)N A281777
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N.[Na+].[Na+] A281790
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)[O-])O)O)N.[Na+] A281800
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O)O)N.[Na+].[Na+] A281810
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N A291500
c1nc(c2c(n1)n(cn2)[13C@H]3[13C@@H]([13C@@H]([13C@H](O3)[13CH2]SCC[C@@H](C(=O)O)N)O)O)N A291502
C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O.[Cl-] A291530
[2H]C([2H])([2H])[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O.OS(=O)(=O)O A291532
C[S+](CC[C@@H](C(=O)O)N)[13CH2][13C@@H]1[13C@H]([13C@H]([13C@@H](O1)n2cnc3c2ncnc3N)O)O.[Cl-] A291533
COC(=O)N1CC2(CC2)C[C@@H]([C@H]1C(=O)N3CCN(CC3)c4ccccc4)C(=O)NO A291560
CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2.Cl A291580
[2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C#N A291602
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)O A291800
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](CN2CC[C@@]([C@H](C2)C)(C)c3cccc(c3)O)C(=O)O)[2H])[2H] A291802
c1ccc(cc1)C(c2ccccc2)S(=O)CC(=O)NO A301500
CC1CC(C2=C/C(=N/NC(=N)N)/C(=O)C=C12)O.CS(=O)(=O)O A305240
CN1CC(C2=CC(=O)C(=O)C=C21)O A305250
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CCC4=O)C A305600
CCN1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5 A325600
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)Cc2ccc(cc2)c3cc4c([nH]3)ncnc4N[C@H](C)c5ccccc5 A325602
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F A355300
[2H]C1(C[C@@H](C(O1)([2H])[2H])Oc2cc3c(cc2NC(=O)/C=C/CN(C)C)c(ncn3)Nc4ccc(c(c4)Cl)F)[2H] A355302
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)n6cnc7c6c(=O)nc([nH]7)N)O A355350
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5[C@H]([C@@H](O[C@@H]5O2)n6cnc7c6c(=O)[15n][13c]([nH]7)[15NH2])O A355352
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5C=CO[C@@H]5O2 A357460
[2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5C=CO[C@@H]5O2 A357462
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5CCO[C@@H]5O2 A357465
[2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5CCO[C@@H]5O2 A357467
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5C=CO[C@@H]5O2 A357480
[2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5C=CO[C@@H]5O2 A357482
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5CCO[C@@H]5O2 A357485
[2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)[C@@H]5CCO[C@@H]5O2 A357487
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@]5(C=CO[C@@H]5O2)O A357500
[2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@]5(C=CO[C@@H]5O2)O A357502
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5(CCOC5O2)O A357505
[2H]C([2H])([2H])Oc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)C5(CCOC5O2)O A357507
c1c(c2c3c(c(=O)oc2c4c1O[C@@H]5[C@H]4C=CO5)C(=O)CC3)O A357520
c1c(c2c3c(c(=O)oc2c4c1O[C@@H]5[C@H]4CCO5)C(=O)CC3)O A357525
COc1cc2c(c3c1c4c(c(=O)o3)C(=O)C[C@@H]4O)[C@@H]5C=CO[C@@H]5O2 A357530
c1ccc(cc1)CNC(=O)/C(=C/c2ccc(c(c2)O)O)/C#N A425000
[HH].CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3.OOP(=O)=O A425500
Cc1ccc(cc1)C2=CCC(c3c2cc(cc3)C#Cc4ccc(cc4)C(=O)O)(C)C A427000
[2H]c1c(c(c(c(c1C2=CCC(c3c2cc(cc3)C#Cc4ccc(cc4)C(=O)O)(C)C)[2H])[2H])C([2H])([2H])[2H])[2H] A427002
CCOC(=O)c1ccc(cc1)C#Cc2ccc3c(c2)C(=CCC3(C)C)c4ccc(cc4)C A427010
[2H]c1c(c(c(c(c1C2=CCC(c3c2cc(cc3)C#Cc4ccc(cc4)C(=O)OCC)(C)C)[2H])[2H])C([2H])([2H])[2H])[2H] A427012
CC(=O)NCCc1cccc2c1cc(cc2)OC A430000
[2H]C([2H])(c1cccc2c1cc(cc2)OC)C([2H])([2H])NC(=O)C A430002
c1cc2c(c(c1)C(=O)c3ccc(cc3)Br)NC(=O)C2=O A435000
c1nc(c(n1[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)O)O)N)C(=O)N A440500
CC[C@@H]1[C@H](N2C3CC1C4C2CC5([C@H]3N(c6c5cccc6)C)[C@H]4O)O A448000
c1ccc(cc1)c2c(nc3cc4c(cc3n2)nc[nH]4)c5ccc(cc5)CN6CCC(CC6)n7c8ccccc8[nH]c7=O A450300
CCc1cccc(c1N(COC)C(=O)CCl)CC A450800
[2H]c1c(c(c(c(c1[2H])C([2H])([2H])C([2H])([2H])[2H])N(COC)C(=O)CCl)C([2H])([2H])C([2H])([2H])[2H])[2H] A450802
C1CNC(=NC1=O)N.Cl A460500
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O.Cl A470300
[2H][C@@](C(=O)O)(C([2H])([2H])[2H])N A481502
C[C@@H](C(=O)OCc1ccccc1)N.Cl A481505
Cc1ccc(cc1)S(=O)(=O)O.C[C@H](C(=O)OCc1ccccc1)N A481510
Cc1ccc(cc1)S(=O)(=O)O.C[C@@H](C(=O)OCc1ccccc1)N A481515
C[C@H](C(=O)OCc1ccccc1)N.c1ccc(cc1)S(=O)(=O)O A481525
C[C@@H](C(=O)OCc1ccccc1)N.c1ccc(cc1)S(=O)(=O)O A481535
CCOC(=O)C(C)N.Cl A510575
CC(COC)N A510600
C(C(C(=O)O)N)N(N=O)O A510800
C(C(C(=O)O)N)[15N]([15N]=O)O A510805
C([C@@H](C(=O)O)N)N(N=O)O A510810
C[C@@H](C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc2ccccc2)N A511000
C[C@@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N A511010
C[C@@H](C(=O)OCCOCn1cnc2c1nc([nH]c2=O)N)N.Cl A511100
C[C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)N A511350
CNc1ccc(cc1)NC A511380
[2H]C([2H])([2H])Nc1ccc(cc1)NC([2H])([2H])[2H] A511382
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H]1[C@H]2[C@@H]1CN(C2)c3c(cc4c(=O)c(cn(c4n3)c5ccc(cc5F)F)C(=O)O)F)N.CS(=O)(=O)O A511400
[2H]C1([C@@H]2[C@@H]([C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(N1c3c(cc4c(=O)c(cn(c4n3)c5ccc(cc5F)F)C(=O)O)F)([2H])[2H])[2H].CS(=O)(=O)O A511402
C[C@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)n3cnc4cc(ccc4c3=O)Cl A511450
[2H]C([2H])([2H])[C@@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)n3cnc4cc(ccc4c3=O)Cl A511452
CCCSc1ccc2c(c1)nc([nH]2)NC(=O)OC A511610
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Sc1ccc2c(c1)nc([nH]2)NC(=O)OC A511612
CCCS(=O)(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC A511615
CCCS(=O)c1ccc2c(c1)nc([nH]2)NC(=O)OC A511620
C([C@H](C(=O)O)N)NC(=O)N A511995
C([C@@H](C(=O)O)N)NC(=O)N A512000
CC1=C(C(=O)[C@@H]2[C@H]([C@]3([C@@H]4[C@H]5N4[C@]2(C1=O)N3C5)OC)COC(=O)N)N A513500
[2H]C([2H])([2H])N1CCC(=C2c3ccccc3CCn4c2ncc4C(=O)O)CC1 A514537
C=CCOc1ccc(cc1Cl)CC(=O)O A514550
[2H]C(=C([2H])C([2H])([2H])Oc1ccc(cc1Cl)CC(=O)O)[2H] A514552
C(CO)COP(=O)(N)N(CCCl)CCCl A514575
[2H]C([2H])(CN(CC([2H])([2H])Cl)P(=O)(N)OCCCO)Cl A514577
c1ccc2c(c1)cnnc2N/N=C/C(C(C(C(CO)O)O)O)O A514600
CC(C)(/C=N/OC(=O)NC)SC A514650
[2H]C([2H])([2H])NC(=O)O/N=C/C(C)(C)SC A514652
CC(C)(/C=N/OC(=O)NC)S(=O)(=O)C A514660
[2H]C([2H])([2H])NC(=O)O/N=C/C(C)(C)S(=O)(=O)C A514662
CC(C)(/C=N/OC(=O)NC)S(=O)C A514665
[2H]C([2H])([2H])NC(=O)O/N=C/C(C)(C)S(=O)C A514667
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O A514700
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3[C@H](C[C@@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@H]4C(=O)C([2H])([2H])O)C=O)O)C A514702
[2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@H]([C@@]4(C([C@]2([2H])O)([2H])[2H])C=O)C(=O)CO A514703
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@]13C[C@@H]([C@H]4[C@H]2CCC5=CC(=O)CC[C@]45C)OC3O A514710
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)/C=N\O A514720
c1ccc2c(c1)cnnc2N/N=C(\CO)/C(C(C(CO)O)O)O A514800
CCCCCCCCCCCCCC(=O)NCCCN(C)C A521000
C1C2[C@@H]([C@H](C1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)O)O A521100
C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Na+] A521250
[2H]C([2H])(C([2H])([2H])C(O)(P(=O)(O)O)P(=O)(O)O)C([2H])([2H])N A521252
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C A524000
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)C([2H])([2H])[2H] A524002
CC1=C(C[C@H](C[C@@H]1O)O)[C@@H]2C=C3[C@@H]4CC[C@@H]([C@]4(CC[C@H]3n5n2c(=O)n(c5=O)c6ccccc6)C)[C@H](C)CCCC(C)C A524010
CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC A525000
[2H]C([2H])([2H])C([2H])([2H])C(CCCC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CCCC)C([2H])([2H])C([2H])([2H])[2H] A525002
CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCn3c(=O)n(nn3)CC)COC.Cl A525800
[2H]C([2H])([2H])OCC1(CCN(CC1)CCn2c(=O)n(nn2)CC)N(c3ccccc3)C(=O)CC.Cl A525802
CN(CCCNC(=O)C1CCCO1)c2nc3cc(c(cc3c(n2)N)OC)OC.Cl A532000
[2H]C([2H])([2H])N(CCCNC(=O)C1CCCO1)c2nc3cc(c(cc3c(n2)N)OC)OC.Cl A532002
CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O A532030
C[C@H](C[C@@H]([C@H](C(C)(C)O)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O A535960
CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl A536000
CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N A536001
[2H]C([2H])([2H])C(CNC(=O)[C@@H](C[C@@H]([C@H](C[C@H](Cc1ccc(c(c1)OCCCOC)OC)C(C)C)N)O)C(C)C)(C(=O)N)C([2H])([2H])[2H].Cl A536002
C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N A536500
C1(C(=O)NC(=O)N1)NC(=O)N A540500
C1(C(=O)[15NH][13C](=O)[15NH]1)[15NH][13C](=O)[15NH2] A540502
C(C(=O)O)(NC(=O)N)NC(=O)N A541500
CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C A542200
C=CCSS(=O)CC=C A543500
C=CCC1(C(=O)NC(=O)NC1=O)CC=C A544500
[2H]C(=C([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)C([2H])([2H])C(=C([2H])[2H])[2H])[2H] A544502
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C A545000
C(CSC[C@H](C(=O)O)N)[C@@H](C(=O)O)N A546125
Cc1cc(=O)c(co1)O A546700
C[C@@H](C(=O)O)N[C@@H](CCCNC(=N)N)C(=O)O A546800
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CC[C@@H]4C(=O)C)C)C)([2H])[2H])O A547102
c1c2c([nH]cnc2=O)[nH]n1 A547300
[2H]c1c2c([nH]c(nc2=O)[2H])[nH]n1 A547302
C(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O A548000
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O A548500
[2H]C1(C[C@]2([C@@H](CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C([2H])([2H])O)O)C)O)C([C@@H]1O)([2H])[2H])C)[2H] A548502
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A548510
[2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A548512
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O)O A548520
[2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3C2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O)C)([2H])[2H])O A548522
Cc1cc(c(cc1S(=O)(=O)[O-])OC)/N=N/c2c3ccc(cc3ccc2O)S(=O)(=O)[O-].[Na+].[Na+] A548750
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)CO)O)OCc2ccccc2 A549000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)COCc2ccccc2)O)OCc3ccccc3 A549100
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCC=C)O A549200
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OCC=C)O A549210
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC=C)COC(=O)C)OC(=O)C)OC(=O)C A549500
CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)OCC=C)O)(c4ccc(cc4)F)O)c5ccccc5)C(=O)Nc6ccccc6 A549650
C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC A549652
[2H]C(=C([2H])C([2H])([2H])NC1=C2C[C@H](C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](\C=C/C=C(/C(=O)NC(=CC1=O)C2=O)\C)OC)OC(=O)N)\C)C)O)OC)C)[2H] A549660
CCC(=O)NCC[C@@H]1CCc2c1c(c(c(c2)Br)OCc3ccccc3)CC=C A549665
CCC(=O)NCC[C@@H]1CCc2c1c(c(c(c2)Br)O)CC=C A549670
CCCCn1c2c(c(=O)n(c1=O)CC=C)[nH]c(n2)Cc3ccc(cc3)NC(=O)C A549675
COc1ccc2c3c1oc(=O)c4c3c(c(cc4CC=C)OC)oc2=O A549680
C=CCC1(CC1)S(=O)(=O)[O-].[K+] A549695
C=CCC1(CC1)S(=O)(=O)Cl A549700
C=CCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)N2C(=O)c3ccccc3C2=O A549800
COc1ccc(c2c1oc(=O)c3c2c(c(cc3)OC)OCC=C)C(=O)OC A549900
C=CCn1c2c(=O)[nH]c(nc2n(c1=O)[C@H]3[C@H](C([C@H](O3)CO)O)O)N A550000
Cn1c2c(nc1c3ccccc3)n(c(=O)n(c2=O)CC=C)C A552500
C[C@@H]1CN[C@H](CN1CC=C)C A552540
C[C@H]1CN[C@@H](CN1CC=C)C.C[C@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O A552545
Cn1c2c(nc1c3ccc(cc3)S(=O)(=O)[O-])n(c(=O)n(c2=O)CC=C)C.[Na+] A552650
C=CCO[C@@H]1C([C@H]([C@H](C(O1)CO)O)O)O A554750
C=CCO[C@@H]1C([C@H]([C@@H](C(O1)CO)O)O)O A555250
C=CCOC(=O)C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O A555400
C=CCO[13C](=O)[13CH]1[13C@H]([13C@@H]([13CH]([13C@@H](O1)O)O)O)O A555402
C=CCC1CC(=O)NC(=O)C1 A555600
C=CC[C@H](C(=O)O)N A556500
CS(=O)(=O)SCC=C A558500
CC1[C@H]2Cc3ccc(cc3[C@]1(CC[N@@]2CC=C)C)O.Cl A559000
CCC(=O)NCC[C@@H]1CCc2c1cc(c(c2)Br)OC=C A561430
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C/C=C/C(=O)O[C@H]3C(C([C@@H](C(O3)C(=O)OCC=C)O)O)O)OC(=O)OCC=C)C A561475
COc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)C(=O)OCC=C)F)c(=O)c(cn2C5CC5)C(=O)O A561480
[2H]C1([C@@H]2CCCN([C@@H]2C(N1c3c(cc4c(c3OC)n(cc(c4=O)C(=O)O)C5CC5)F)([2H])[2H])C(=O)OCC=C)[2H] A561482
CCOc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)C(=O)OCC=C)F)c(=O)c(cn2C5CC5)C(=O)OCC A561485
COc1c2c(cc(c1N3C[C@@H]4CCCN([C@@H]4C3)C(=O)OCC=C)F)c(=O)c(cn2C5CC5)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OCC=C)O)O)O A561495
C=CCOC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)CO)O[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O)O A561500
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)OCC=C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A561520
Cc1cc(=O)oc2c1cc3c(coc3c2OCC=C)C A561700
[2H]C(=C([2H])C([2H])([2H])Oc1c2c(cc3c1occ3C)c(cc(=O)o2)C)[2H] A561702
C=CCOc1nc2c(=O)[nH]c(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)N A561800
CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)OCC=C)O)O)O A571500
CC(c1ccc(cc1)NCC(=C)C)C(=O)O A575150
[2H]C([2H])([2H])C(c1ccc(cc1)NCC(=C)C)C(=O)O A575152
CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3.C(C(C(=O)O)O)C(=O)O A575200
CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3.Cl A575201
[2H]C([2H])([2H])N(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)C([2H])([2H])[2H].Cl A575202
CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NCCCC(=O)O A575205
C[N+](C)(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)[O-].Cl A575210
CN(C)CCc1c[nH]c2c1cc(cc2)Cc3c(c4cc(ccc4[nH]3)CS(=O)(=O)N5CCCC5)CCN(C)C A575215
c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)CO)C2=O A575400
[2H]c1c(c2c(c(c1[2H])O)C(=O)c3c(c(c(c(c3O)[2H])CO)[2H])C2=O)[2H] A575402
Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N A575425
[2H]C([2H])([2H])n1c(=O)cc(n(c1=O)Cc2ccccc2C#N)N3CCC[C@H](C3)N A575427
CCCS(=O)(=O)c1ccc2c(c1)nc([nH]2)N A580950
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)N)O)S(=O)(=O)c2ccc(cc2)N A581400
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@H]([C@H](Cc1ccccc1)N)O)S(=O)(=O)c2ccc(cc2)N A581402
Cc1ncc(c(n1)N)CN A581865
Cc1ncc(c(n1)N)CN A581875
c1cc(cc(c1)N)c2nc3cc(ccc3o2)N A581940
c1cc(ccc1c2nc3cc(ccc3o2)N)N A581945
c1cc(cc(c1)N)c2nc3ccc(cc3o2)N A581950
c1cc(ccc1c2nc3ccc(cc3o2)N)N A581955
COC(=O)c1cc(c(c(c1)S(=O)(=O)N)Oc2ccccc2)N A581970
C([C@@H]1[C@@H](C([C@H](O1)CO)O)O)N A582100
C1=C(O[C@H]([C@@H]([C@H]1N)O)[C@@H]([C@@H](CO)O)O)C(=O)O A583150
c1ccc(c(c1)N)Nc2ccncc2 A583160
[2H]c1c(c(c(c(c1[2H])N)Nc2ccncc2)[2H])[2H] A583162
Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)OC A583175
C[C@@H]1CC[C@H]2[C@H](C(=O)N([C@H]3C24[C@H]1CCC(O3)(OO4)C)N)C A583700
CCCCc1c2c([nH]c1c3ccc(cc3)O)nccn2 A575450
CCCCc1c2c([nH]c1c3ccc(cc3)OC)nccn2 A575475
Cc1c([nH]cn1)CN2CCc3c(c4ccccc4n3C)C2=O.Cl A575500
[2H]C([2H])([2H])n1c2ccccc2c3c1CCN(C3=O)Cc4c(nc[nH]4)C.Cl A575502
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O A575510
[2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)C)([2H])[2H])O A575512
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A575515
[2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O A575517
C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)O A575520
[2H][C@]1(C(C[C@]2([C@H](C1([2H])[2H])CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)([2H])[2H])O A575522
C=CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 A575540
[2H]c1c(c(c(c(c1[2H])[2H])C2(C(=O)NC(=O)NC2=O)CC=C)[2H])[2H] A575542
CCCN(CCC)C(=O)Cc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl A575560
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C(=O)Cc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] A575562
Cc1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl A575650
[2H]C([2H])([2H])c1nnc2n1-c3ccc(cc3C(=NC2)c4ccccc4)Cl A575652
[2H]C1(c2nnc(n2-c3ccc(cc3C(=N1)c4ccccc4)Cl)C([2H])([2H])[2H])[2H] A575653
Cc1nnc(n1c2ccc(cc2C(=O)c3ccccc3)Cl)CN A575665
Cc1nnc2n1-c3ccc(cc3C4(N(C2)O4)c5ccccc5)Cl A575690
C[C@@]12C[C@H]([C@@H](C=C1c3cc(cc(c3C(=O)O2)O)OC)O)O A575740
Cc1nnc2n1-c3ccc(cc3C(=[N+](C2)[O-])c4ccccc4)Cl A575750
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC=C)O A575755
Cc1cc(cc2c1c3cc(cc(c3c(=O)o2)O)O)O A575760
CN(C)c1nc(nc(n1)N(C)C)N(C)C A575765
Cc1cc(cc2c1c3cc(cc(c3c(=O)o2)O)OC)O A575770
C=CCSCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl A575775
[2H]C(=C([2H])C([2H])([2H])SCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H] A575777
CCN(CCCc1ccccc1)CCCc2ccccc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O A575780
[2H]C([2H])([2H])C([2H])([2H])N(CCCc1ccccc1)CCCc2ccccc2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O A575782
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O A575785
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C[C@H](Cc4ccccc4)C(=O)NCC(=O)O A575790
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)OS(=O)(=O)[O-])C[C@H](Cc3ccccc3)C(=O)NCC(=O)[O-].[Na+].[Na+] A575795
C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](Cc3ccccc3)C(=O)NCC(=O)O A575800
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](CN2CC[C@@]([C@H](C2)C)(C)c3cccc(c3)O)C(=O)NCC(=O)O)[2H])[2H] A575802
Cc1c(n(nc1C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)I A575805
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(cc1)O A575810
[2H]c1c(c(c(c(c1NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[2H])[2H])O)[2H] A575812
CN(CC[C@H](c1ccc(cc1)F)Oc2ccc(cc2)c3ccccc3)CC(=O)O.Cl A575815
C1[C@@H]2CC3(C[C@@H](C2)C[C@@H]1C3)N.Cl A575820
[2H][C@@]12C(C3(C([C@@](C1([2H])[2H])(C([C@@](C2([2H])[2H])(C3([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])N)([2H])[2H] A575822
c1ccc2c(c1)c(cn2CCCCCF)C(=O)c3ccccc3I A575825
[2H]c1c(c(c(c(c1[2H])C(=O)c2cn(c3c2cccc3)CCCCCF)I)[2H])[2H] A575827
c1ccc2c(c1)cccc2C(=O)c3cn(c4c3cccc4)CCCCCF A575830
[2H]C([2H])(CCCC([2H])([2H])F)n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 A575832
CN1CCCCC1Cn2cc(c3c2cccc3)C(=O)c4cccc5c4cccc5 A575835
[2H]C([2H])([2H])N1CCCCC1C([2H])([2H])n2cc(c3c2cccc3)C(=O)c4cccc5c4cccc5 A575837
C1=CC(=NNC(=S)N)C=CC1=NNC(=N)N A575840
CN1CCCCC1Cn2cc(c3c2cccc3)C(=O)c4ccccc4I A575850
[2H]C([2H])([2H])N1CCCCC1C([2H])([2H])n2cc(c3c2cccc3)C(=O)c4ccccc4I A575852
Cc1cc(nc(n1)O[C@@H](C(=O)O)C(c2ccccc2)(c3ccccc3)OC)C A575860
[2H]C([2H])([2H])OC(c1ccccc1)(c2ccccc2)C(C(=O)O)Oc3nc(cc(n3)C)C A575862
Cc1cc(nc(n1)OC(C(=O)OC)C(c2ccccc2)(c3ccccc3)OC)C A575865
[2H]C([2H])([2H])OC(c1ccccc1)(c2ccccc2)C(C(=O)OC)Oc3nc(cc(n3)C)C A575867
Cc1cc(nc(n1)O[C@H](C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(c3ccccc3)(c4ccccc4)OC)C A575870
c1c(c(c(cc1Br)Br)N)CNC2CC[C@@H](CC2)O.Cl A575900
[2H][C@]1(C(CC(CC1([2H])[2H])NCc2c(c(cc(c2)Br)Br)N)([2H])[2H])O A575902
c1c(c(c(cc1Br)Br)N)CN[C@H]2CC[C@H](CC2)O A575905
[2H][C@]1(C(C[C@@H](CC1([2H])[2H])NCc2c(c(cc(c2)Br)Br)N)([2H])[2H])O A575907
c1c2c(c(cc1Br)Br)NCN(C2)[C@H]3CC[C@@H](CC3)O A575910
[2H][C@]1(C(C[C@H](CC1([2H])[2H])N2CNc3c(cc(cc3C2)Br)Br)([2H])[2H])O A575912
CC[N+](C)(C)CCC(c1ccccc1)(c2ccccc2)C(=O)N.[Br-] A576000
[2H]C([2H])([2H])C([2H])([2H])[N+](C)(C)CCC(c1ccccc1)(c2ccccc2)C(=O)N.[Br-] A576002
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC6(O2)CCCC6 A576150
[2H]C1(CC2(CC1([2H])[2H])O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@]5([C@H](C[C@@]4([C@@]3(O2)C(=O)COC(=O)C)C)O)F)C)[2H] A576152
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)/N=C/N3CCCCCC3)C(=O)O)C A576300
c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)[O-].O.[Na+] A576500
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cccc(c2N)CC(=O)[O-])[2H])[2H].O.[Na+] A576502
c1ccc(cc1)C(=O)c2cccc(c2N)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O A576510
CNCC(c1cccc(c1)NS(=O)(=O)C)O A576650
c1cc(cc2c1cc(cc2)O)C(=N)N.Cl A576750
c1cc(ccc1C(=N)N)OCCCCC(=O)O A576760
c1cc(ccc1C(=N)N)OCCCCCO A576765
CCN(c1ncc(s1)C)C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O A576780
Cc1cnc(s1)N(C)C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O A576790
CC(=O)Nc1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I A576800
[2H]C([2H])([2H])C(=O)Nc1c(c(c(c(c1I)NC(=O)C([2H])([2H])[2H])I)C(=O)O)I A576802
C(CN)CNCCSP(=O)(O)O A576810
C(CN)CNCCS A576820
C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)NC(=O)[C@H](CCN)O A578500
[2H][C@@](C(=O)N[C@@H]1C[C@H]([C@H](C(C1O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CN)O)O)O)N)(C([2H])([2H])C([2H])([2H])N)O A578502
C1[C@H]([C@H](C(C([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CN)O)O)N)N A578515
c1c(nc(c(n1)N)C(=O)NC(=N)N)Cl A578690
c1(c(nc(c(n1)Cl)N)N)C(=O)NC(=N)N.Cl A578700
c1(c(nc(c(n1)Cl)N)N)C(=O)[15NH]C(=[15NH])[15NH2].Cl A578702
C(C(=N)N)N A580000
CC(=O)CN.Cl A580060
CC(=O)c1ccc(cc1)N A580075
C[13C](=O)c1ccc(cc1)N A580077
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)CN)[2H])[2H].Cl A580087
c1cc(cnc1)C(=O)CN A580090
CC(=O)NCCc1c[nH]c2c1cc(cc2)N A580120
c1ccc2c(c1)c(=O)c3cc(ccc3[nH]2)N A580200
C1[C@H]2CC3(C[C@@](C2)(C[C@@H]1C3)O)N A580300
c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)N)N A580360
c1nc(c2c(n1)n(c(n2)N)[C@H]3C([C@H]([C@H](O3)CO)O)O)N A580375
C(CC(C(=O)O)N)CC(=O)O A580500
[2H]C([2H])(CC(=O)O)C([2H])([2H])C(C(=O)O)N A580502
CCCSc1ccc2c(c1)nc([nH]2)N A580945
C(CN=[N+]=[N-])[C@@H](C(=O)O)N A584000
C(COCCOCCOCCN=[N+]=[N-])N A585000
[2H]c1c(c(c(c(c1C(=N)N)[2H])[2H])N)[2H] A587202
c1ccc(cc1)C(=O)Nc2ccc(cc2)N A587800
COC(=O)[C@H](CCc1ccccc1)N.Cl A591410
Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)CC[C@@H](C(=O)OCc2ccccc2)N A591420
c1cc(ccc1CS(=O)(=O)N2CCCC2)N A591465
Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccc(cc3)N A591480
[2H]c1c(c(c(c(c1NS(=O)(=O)c2ccc(cc2)N)[2H])[2H])S(=O)(=O)Nc3cc(on3)C)[2H] A591482
c1cc(ccc1C(=O)O)N A591500
[2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])N)[2H] A591502
[13cH]1[13cH][13c]([13cH][13cH][13c]1C(=O)O)N A591503
c1ccc(c(c1)C#N)N A591505
c1cc2c(cc1N)Oc3ccc(cc3C(=O)N2)Cl A603335
CO[13c]1c([13c](nc(n1)N)N[C@H]2C[C@@H]([C@H]([C@H]2O)COCc3ccccc3)OCc4ccccc4)/[15N]=N/c5ccc(cc5)Cl A603342
c1ccc(cc1)COC[C@@H]2[C@@H](C[C@@H](C2O)N[13c]3c[13c](nc(n3)N)Cl)OCc4ccccc4 A603347
c1c([nH]c-2nc(nc(=O)c2n1)N)CCl.Cl A603350
c1ccc(c(c1)C(=O)c2cc(ccc2N)Cl)Cl A604630
c1c(nc(c(n1)N)Br)Br A604635
c1c(c(c(c(c1S(=O)(=O)N)Cl)Cl)N)S(=O)(=O)N.Cl A604645
c1c(c(c(nc1Cl)Cl)[N+](=O)[O-])N A604660
c1c(cc(c(c1Cl)N)Cl)C(=O)CBr A604680
CC(C)(C)NCC(=O)c1cc(c(c(c1)Cl)N)Cl.Cl A604685
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(=O)c1cc(c(c(c1)Cl)N)Cl A604687
CC(=O)c1cc(c(c(c1)Cl)N)Cl A604690
c1cc(c(cc1Cl)N)C(=O)CCl A604695
c1c(cnc(c1N)Cl)Cl A604700
c1c(c(c(cn1)Cl)N)Cl A604705
c1c(cc(nc1Cl)Cl)N A604710
c1[13c](nc(n[13c]1Cl)N)Cl A604717
c1cc(ccc1C#N)N A591700
c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)NCC(C(=O)O)N A591710
c1cc2ccc3cc4c(cccc4N)c5c3c2c(c1)cc5 A592750
c1ccc2c(c1)nc(s2)N A593500
c1ccc2c(c1)[n+](c(n[n+]2[O-])N)[O-] A593625
c1ccc2c(c1)nc(n[n+]2[O-])N A593640
c1cc(c2c(c1)[nH]c(=O)o2)N A593750
Cn1c2ccc(cc2nc1N)C(=O)c3ccccc3 A593755
c1ccc(cc1)C(=O)c2ccc3c(c2)nc([nH]3)N A593760
c1ccc(cc1)C(c2ccc3c(c2)nc([nH]3)N)O A593765
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N A593770
[2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N)[2H] A593772
c1cc(ccc1C(=O)N2CCOCC2)N A593790
c1ccc(cc1)C(=O)c2cccnc2N A593800
c1cc(c(c(c1)C(=O)O)N)C(=O)c2ccc(cc2)Br A593840
c1c(cc2c(c1N)oc(=O)[nH]2)Cl A593875
c1ccc(cc1)Cn2c(c(c(=O)[nH]c2=O)Br)N A596500
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)N)O A596702
c1ccc(c(c1)CC#N)N A596920
c1ccc(c(c1)CC#N)N.Cl A596925
CC(C)(C)OC(=O)CN(C[C@H](Cc1ccc(cc1)N)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C A597350
CN(C=O)c1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N A597550
CNc1c(n(c(=O)[nH]c1=O)Cc2ccccc2)N A598750
Cn1c(=O)c(c(n(c1=O)Cc2ccccc2)N)N(C)C=O A599350
c1cc(ccc1C[C@H]2COC(=O)N2)N A599500
c1ccc(cc1)COC(=O)NCCCCCO A599580
CC(C)[C@H](CN)C(=O)N1CCC[C@H]1OCc2ccccc2 A599650
c1ccc(cc1)COc2ccc(cc2)C(CN)O A600100
c1ccc(cc1)COc2ccc(cc2)[13CH]([13CH2][15NH2])O A600102
c1ccc(cc1)COc2cccnc2N A600225
c1ccc(cc1)Cc2c3c(ncnc3n(n2)[C@H]4C([C@H]([C@H](O4)CO)O)O)N A600250
c1ccc(cc1)Cc2c3c(ncnc3n(n2)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N A600260
c1ccc(cc1)Cc2c3c(ncnc3n(n2)[C@H]4C([C@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N A600270
c1ccc(cc1)Cc2cccnc2N A600300
c1ccc(cc1)CN2CCN(CC2)N A600875
c1cc(ccc1CC(CC(=O)O)C(=O)O)N A601500
c1ccc(c(c1)C(=O)c2cc(ccc2N)Br)Cl A601600
c1cc(ccc1CS[C@@H]2C([C@H]([C@H](C(O2)CO)O)O)O)N A601745
c1cc(ccc1CS[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O)N A601750
CC(=O)OCC(CN(C)C(=O)c1c(c(c(c(c1I)N)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C A601755
c1ccc(cc1)Cn2c(cc(=O)[nH]c2=O)N A601760
c1ccc(cc1)c2ccccc2N A601765
[2H]c1c(c(c(c(c1[2H])[2H])c2ccccc2N)[2H])[2H] A601768
c1ccc(cc1)c2cccc(c2)N A601774
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(c(c(c2[2H])N)[2H])[2H])[2H])[2H])[2H] A601775
[2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)N)[2H])[2H] A601780
c1ccc(cc1)c2ccc(cc2)N A601781
[3H]C.[3H]C.c1ccc(cc1)c2ccc(cc2)N A601782
c1ccnc(c1)C(=O)c2cc(ccc2N)Br A601785
[2H]c1c(c(nc(c1[2H])C(=O)c2cc(ccc2N)Br)[2H])[2H] A601787
c1ccc(cc1)c2ccc(cc2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] A601790
[2H]c1c(c(c(c(c1[2H])[2H])c2ccc(cc2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)[2H])[2H].[Na+] A601792
CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)N)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)OC(=O)C A601795
c1cc(ccc1C(=O)CBr)N A601800
Cc1cc(c(nc1C)N)Br A601805
Cc1cc(c(nc1)N)Br A601810
COc1c(cc(cn1)N)Br A601815
Cc1ncc(c(n1)N)CBr A601820
Cn1c(c(cn1)Br)N A601825
Cc1c(c(n[nH]1)N)Br.Br A601827
Cc1cc(cnc1N)Br A601829
Cn1c(c(c(=O)[nH]c1=O)Br)N A601830
c1ccc(cc1)c2c(c(n[nH]2)N)Br A601835
c1ccc(cc1)c2cc(c(nc2)N)Br A601840
c1c(ncc(n1)Br)N A601845
c1c(cnc(c1CO)N)Br A601850
c1c(nc(c(n1)N)Br)C(=O)O A601855
c1c(nc(c(n1)N)C(=O)O)Br A601860
COC(=O)c1c(ncc(n1)Br)N A601863
c1c(c(n[nH]1)N)Br A601865
c1cnc(cc1Br)N A601870
c1cc(ncc1Br)N A601871
c1cc(ncc1N)Br A601875
c1c(cnc(c1Br)N)S(=O)(=O)O A601880
c1cc2c(c(c1N)Br)nccn2 A601885
[2H]C([2H])([2H])C([2H])([2H])[C@@H](CO)N A601892
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)N)C(=O)OC A601895
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCN.Cl A601900
c1cc(ccc1C(=O)CN)Br.Br A601905
COC(=O)c1ccc(c(n1)N)Br A601910
Cc1c(cnc(c1[N+](=O)[O-])N)Br A601915
CN(Cc1cc(ccc1N)Br)C2CCCCC2 A601925
C(=C(/C(=O)N)\N)\C(=O)N A601930
CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)N)I)C(=O)N(C)CC(CO)O)I)OC(=O)C A601935
Cc1cc(nc(c1Br)C)N A601940
[2H]c1cc(cc2c1[nH]c(=O)c(c2c3c(c(c(c(c3Cl)[2H])[2H])[2H])[2H])N)Br A601952
CC(=O)OCC(CNC(=O)c1c(c(c(c(c1I)N)I)C(=O)O)I)OC(=O)C A601970
c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCCN.Cl A602000
CC(=O)c1cc(ccc1OCC(CNC(C)(C)C)O)N A602100
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)n2cc(c(nc2=O)N)F A602200
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)[15n]2cc(c([15n][13c]2=O)N)F A602202
CC(C)(C)[Si](C)(C)OCc1csc(n1)N A602430
CC(C)(C)[Si](C)(C)OCc1cnc(s1)N A602440
CC(CCc1ccc(cc1)O)N A602500
[2H]C([2H])([2H])C([2H])(C([2H])([2H])Cc1ccc(cc1)O)N A602502
CC(C)(C)c1nnc(s1)N A602850
CC[C@@H](C(=O)N)N.Cl A602890
[2H]C([2H])([2H])C[C@@H](C(=O)N)N.Cl A602892
C(CC(=O)O)CN A602920
CC(CC(=O)O)N A602925
CC[C@@H](C(=O)O)N A602930
[2H]C([2H])([2H])C[C@@H](C(=O)O)N A602932
[2H]C([2H])([2H])CC(C(=O)O)N A602937
CC[C@@H](C(=O)OC)N.Cl A602940
[2H]C([2H])([2H])C([2H])([2H])[C@@H](C(=O)OC)N.Cl A602942
CC(C)(C)n1c2c(c(n1)Cc3ccccc3)c(ncn2)N A602945
Cc1cccc(c1)Cc2c(c(n(n2)C(C)(C)C)N)C#N A602950
CC(C)(C)n1c2c(c(n1)c3ccccc3O)c(ncn2)N A602955
Cc1cccc(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N A602960
CCc1c2c(ncnc2n(n1)C(C)(C)C)N A602965
Cc1ccc(cc1)c2c(c(n(n2)C(C)(C)C)N)C#N A602970
Cc1cccc(c1C)Cc2c3c(ncnc3n(n2)C(C)(C)C)N A602975
Cc1ccc(cc1)c2c3c(ncnc3n(n2)C(C)(C)C)N A602980
CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)Br)c(ncn2)N A602985
CC(C)(C)n1c(c(c(n1)Cc2ccccc2)C#N)N A602990
c1ccc2cc(ccc2c1)S(=O)(=O)NCCCCN.Cl A603000
C(CC(=O)N)CN.Cl A603001
CC(C)(C)n1c(c(c(n1)Cc2cccc3c2cccc3)C#N)N A603002
CC(C)(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2)N A603003
CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N A603004
C(CCC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O)CCN A603005
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)CCCCCN)C(=O)OC(C)(C)C A603006
CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)NC(=O)CCCCC[NH3+].C(=O)(C(F)(F)F)[O-] A603007
CC1[C@H]([C@@H](C([C@H](O1)NC(=O)CCCCCN)O)O)O A603010
C(CCC(=O)O)CCN.Cl A603015
[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N.Cl A603017
C(CCC(=O)N[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)CCN A603020
c1cc(ccc1CCC(=O)O)OC(=O)CCCCCN A603030
CCOC(=O)c1cnc(nc1N)SCC A603040
c1ccc2c(c1)c3c(ccnc3[nH]2)N A603045
CS(=O)(=O)SCCC(=O)N A603050
c1cc(c(c(c1)[N+](=O)[O-])C(=O)N)C(=O)[O-].[K+] A603055
CCOC(=O)/C=C(/C=N/NC(=O)N)\C(F)(F)F A603060
CCc1ccc(nc1)CCOc2ccc(cc2)CC(C(=O)OCC)SC(=O)N A603065
CCCc1c(c(n(n1)C)C(=O)N)NC(=O)c2cc(ccc2OCC)S(=O)(=O)c3ccc(c(c3)C(=O)Nc4c(nn(c4C(=O)N)C)CCC)OCC A603070
C.c1c(c(n[nH]1)N)C(=O)N A603076
CCSc1ncc(c(n1)N)C(=O)O A603090
CS(=O)(=O)SC[C@@H](C(=O)O)N A603100
Cc1c(c(no1)OCC(=O)O)CC(C(=O)O)N A603150
C(CCN)C[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O A603250
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCN)C(=O)OC(C)(C)C A603260
c1cc(c(cc1N)O)O A603280
C1C=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O A603300
C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)Cl A603305
CCOc1cc2c(cc1N)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F A603315
COc1cc(c(cc1C(=O)O)Cl)N A603320
c1cc(c(c(c1)F)C(=O)c2cc(ccc2N)Cl)F A603325
COC(=O)c1cc(cc(c1O)N)Cl A603330
c1nc2c(n1[C@@H]3C[C@@H](C=C3)C(=O)O)nc(nc2Cl)N A603360
c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N A603375
c1c(c(cc(c1Cl)S(=O)(=O)Cl)S(=O)(=O)Cl)N A603380
c1cc(c(cc1N)C(F)(F)F)Cl A603385
C1C(ON=C1Cl)[C@@H](CO)N A603390
c1cc(c(c(c1)Cl)N)C(=O)O A603395
C[N+](C)(C)C[C@@H](CC(=O)[O-])N A603400
C[N+](C)(C)C[C@H](CC(=O)[O-])N A603405
C[C@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)NC(=O)c3ccc(cc3N)Cl A603410
[2H]C([2H])([2H])[C@@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)NC(=O)c3ccc(cc3N)Cl A603412
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O A603415
C1C(=C(N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)CO A603420
c1cc(c(cc1N)S(=O)(=O)N)Cl A603425
c1cc(c(c2c1nsn2)N)Cl A603430
C1=C(N=C(N(C1N)O)N)Cl A603435
c12c(=O)[nH]c(nc1nc(s2)Cl)N A603438
COc1cc2c(cc1OC)nc(nc2N)Cl A603439
c1ccc(c(c1)C(=O)c2cc(ccc2N)Cl)F A603440
COc1ccc(cc1)COC(=O)C2=C(CS[C@H]3N2C(=O)[C@H]3N)CCl.Cl A603445
Cc1c(c(nc(n1)Cl)N)[N+](=O)[O-] A603450
COC(=O)CCc1cc(c(s1)N)C(=O)c2ccccc2Cl A603455
CC(C)[Si](C(C)C)(C(C)C)Oc1cc(c(cc1Cl)C(C#CC2CC2)(C(F)(F)F)O)N A603460
[2H]C1(C(C1([2H])[2H])C#CC(c2cc(c(cc2N)O[Si](C(C)C)(C(C)C)C(C)C)Cl)(C(F)(F)F)O)[2H] A603462
Cc1cc(c(s1)N)C(=O)c2ccccc2Cl A603465
Cc1ccnc(c1N)Cl A603468
Cc1c(c(ccn1)N)Cl A603469
Cc1cnc(nc1N)Cl A603470
c1c(cc(c(c1N)O)[N+](=O)[O-])Cl A603475
c1ccc(c(c1)C(=O)c2ccsc2N)Cl A603480
c1cnc(c(c1Cl)[N+](=O)[O-])N A603485
c1c(c(cnc1N)[N+](=O)[O-])Cl A603487
c1ccc(cc1)C(=O)c2cc(ccc2N)Cl A603490
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cc(ccc2N)Cl)[2H])[2H] A603492
c1cc(nc(c1[N+](=O)[O-])N)Cl A603495
Cc1c2c(c3cccnc3c1Cl)n(c(n2)N)C A603500
c1cc2c(ccc(c2N)/N=N\c3ccc(cc3)Cl)c(c1)S(=O)(=O)N A603503
c1[nH]c2c(n1)nc(nc2Cl)N A603505
c1nc2c(n1[C@@H]3C[C@@H](C=C3)CO)nc(nc2Cl)N.Cl A603506
c1cncc(c1Cl)N A603508
c1nc2c(n1[C@H]3C([C@H]([C@H](O3)CO)O)O)nc(nc2Cl)N A603510
c1cc(nnc1N)Cl A603511
c1cnc(cc1Cl)N A603512
c1c(ncnc1Cl)N A603513
c1c2c(c(nc1Cl)N)ncn2[C@H]3C([C@H]([C@H](O3)CO)O)O A603514
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)N)OC(=O)C)OC(=O)C A603515
Cn1c(c(cn1)C#N)N A603516
Cc1ncc(c(n1)N)C#N A603517
c1cnc(nc1Cl)N A603518
CCCCCCC(C(C)O)Nc1c(c(ncn1)Cl)N A603519
c1c(c([nH]n1)N)C#N A603520
c1cnc(cc1C#N)N A603523
C(#N)c1c(nc([nH]1)N)C(=O)N A603525
Cn1c(c(c(=O)n(c1=O)C)NC(=O)C2CCCC2)N A603530
C1[C@@H](CC[C@H](C1)N)CO A603535
C1CCC(C1)(C(=O)O)N A603540
COC(=O)C1(CCCC1)N A603545
C1CCC(C1)N2CCN(CC2)N A603548
C1CC1(C(=O)O)N A603550
Cc1cc(nc(c1)Cl)N A603555
c1ccc(cc1)c2c3cc(ccc3[nH]/c(=N/N)/c2N)Cl A603560
c1c(cc(c(c1C(F)(F)F)N)Cl)C(=O)O A603565
c1c(cc(c(c1C(F)(F)F)N)Cl)C(=O)CBr A603570
CC(=O)c1cc(c(c(c1)Cl)N)C(F)(F)F A603575
c1ccc(cc1)c2c3cc(ccc3[nH]c(=O)c2N)Cl A603580
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)O)Cl)N A603587
c1ccc(c(c1)c2c3cc(ccc3[nH]c(=O)c2N)[N+](=O)[O-])Cl A603590
[2H]c1c(c(c(c(c1[2H])c2c3cc(ccc3[nH]c(=O)c2N)[N+](=O)[O-])Cl)[2H])[2H] A603592
c1c(nc(nc1Cl)N)N[C@@H]2C[C@@H](C=C2)CO A603595
[2H]C([2H])([C@H]1C[C@H](C=C1)Nc2cc(nc(n2)N)Cl)O A603597
COC(=O)C1(CC1)N.[Cl] A603600
c1cc(ccc1/N=N/c2c(nc(nc2Cl)N)N[C@@H]3C[C@@H](C=C3)CO)Cl A603605
[2H]C([2H])([C@H]1C[C@H](C=C1)Nc2c(c(nc(n2)N)Cl)/N=N/c3ccc(cc3)Cl)O A603607
c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)N)Cl A603610
[2H]c1c(c(c(c(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)N)Cl)[2H])[2H] A603612
c1ccc(cc1)C(c2ccccc2)OC(=O)C3=C(CS[C@H]4N3C(=O)[C@H]4N)CCl.Cl A603615
c1cc(cc2c1ccc(=O)o2)N A603620
c1cnc(cc1N)Cl A603625
c1cc(c(cc1N)C(F)(F)F)C#N A603630
[2H]c1c(c(c(c(c1C#N)C(F)(F)F)[2H])N)[2H] A603632
C1CCC(C1)(C#N)N.Cl A603635
[2H]C1(CC(CC1([2H])[2H])(C#N)N)[2H].Cl A603637
C1[C@@H](C=C[C@@H]1N)CO.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O A603640
C1CC1c2nnc(s2)N A603645
c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CN)[N+](=O)[O-])Cl A603650
c1cncc(c1N)Cl A603655
c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)N)C#N A603660
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[C@H](C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N)N)([2H])[2H])([2H])[2H])[2H] A603662
CC(C)(C)OC(=O)NC(CC1CCC1)C(C(=O)N)O A603665
C1CC(CC(C1)O)N A603670
C1C[C@@H](C[C@@H](C1)O)N A603675
CN(Cc1ccccc1N)C2CCCCC2 A603680
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCNc3nc4c(ncnc4n3[C@H]5C([C@H]([C@H](O5)CN6CC6)O)O)N A603685
CCn1c(=O)c2cc(c(nc2n(c1=O)C3CC3)N)C(=O)N A603690
C1[C@@H](CC[C@@H](C1)O)N.Cl A603695
C1[C@@H](CC[C@H](C1)O)N.Cl A603696
COc1cccc(c1OC)[C@H](c2cc(ccc2N)Cl)O A603700
C(C(C(=O)NO)N)Cl A603710
[2H]C([2H])(C([2H])(C(=O)[15NH]O)N)Cl A603712
COC(=O)c1c(c(ccn1)N)Cl A603715
C(CCCCCO)CCCCN A603720
CCCCC/C=C/[C@H]([C@H](CO)N)O A603735
CCCCC/C=C/[C@H]([C@H](COCC)N)O A603745
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCCCCCN.Cl A603750
c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)Cl A603775
CS(=O)(=O)SCCCCCCCCCCN.Br A603790
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)NC(=O)CCC(=O)ON6C(=O)CCC6=O A603820
CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)N)C A603860
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CN)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O A603900
C(C1[C@H]([C@@H](C([C@@H](O1)[O])O)O)O)N.Cl A603950
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C(C3=N)N)C2=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O A603960
CC1(O[C@@H]2[C@@H](O1)O[C@@H](C2O)C(CN)O)C.Cl A603975
CC1(O[C@@H]2[C@@H](O1)O[C@H](C2O)C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)N)C A603985
C(C1[C@H]([C@@H](C([C@@H](O1)O)O)N)O)O.Cl A604000
Cc1cn(c(=O)[nH]c1=O)[C@H]2CC([C@H](O2)CO)N A604250
CC(Cc1ccc(cc1)N)N(C)CC#C A604300
[2H]C([2H])([2H])N(CC#C)C(C)Cc1ccc(cc1)N A604302
CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O A604330
c1ccc2c(c1)-c3ccccc3NC(=O)[C@H]2N A604380
c1ccc2c(c1)c3cc(ccc3o2)N A604400
c1ccc(cc1)C[C@@H](C(=O)/C=C(/Cc2ccccc2)\N)N(Cc3ccccc3)Cc4ccccc4 A604475
CC(C(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)N.Cl A604600
c1c(cc(c(c1C=O)N)Br)Br A604610
c1c(cc(c(c1CO)N)Br)Br A604615
CCCCn1c(c(c(=O)n(c1=O)CCCC)N=O)N A604620
CCCCn1c(cc(=O)n(c1=O)CCCC)N A604625
c1c(c(nc(n1)Cl)Cl)N A604720
c1nc(c(c(n1)Cl)N)Cl A604725
c1cc(c(c2c1N=C(NC2)N)Cl)Cl.Br A604730
C(=O)Nc1c(nc(nc1Cl)N)Cl A604735
c1cc(c(c2c1N=C(N(C2)CC(=O)O)N)Cl)Cl A604740
c1cc(c(c2c1N=C(N(C2)CC(=O)O)N)Cl)Cl.Br A604745
c1(nc(nc(n1)Cl)Cl)N A604750
c1ccc(cc1)COC(=O)CN2Cc3c(ccc(c3Cl)Cl)N=C2N.Br A604760
c1c2cc(c(c(c2ncc1Cl)C(=O)O)Cl)N A604780
CCOC(Cc1c(ncnc1O)N)OCC A604850
CCN(CC)CCc1cccc(c1)N A604860
C(C(CO)O)NC(=O)c1c(c(c(c(c1I)N)I)C(=O)O)I A604865
Cn1c(nc(=O)c(=O)[nH]1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O A604870
CCOC(Cc1c(nc(nc1O)S)N)OCC A604875
c1ccc2c(c1)c(c3c(n2)CCCC3=O)N A604880
CCc1cc(cc(c1N)CC)CCCO A604885
CCCc1c2c(nc(n1)N)CC(CC2=O)(C)C A604888
COc1ccc2c(c1)C(=O)C(CC2)[N-]Cl A604890
CN1c2ccccc2-c3ccccc3[C@@H](C1=O)N A604895
Cn1c2ccc3c(c2nc1N)ccc(=O)[nH]3 A604900
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)O A604905
c1(c(nc(nc1O)N)O)[N+](=O)[O-] A604910
c1(c(nc(nc1[O-])O)N)N=O.[Na+] A604915
CC(C(=O)c1ccc(c(c1)O)O)N A604917
c12c([nH]c(n1)O)nc(nc2O)N.Cl A604921
COc1cc(nc(n1)N)OC A604925
[2H]C([2H])([2H])Oc1cc(nc(n1)N)OC([2H])([2H])[2H] A604927
c1c(nc(nc1O)N)O A604930
COc1cc(c(cc1OC)N)C(=O)O A604940
CC(Cc1ccc(c(c1)OC)OC)(C#N)N.Cl A604945
COC(=O)c1ccc(cc1)CCc2c[nH]c3c2c(=O)nc([nH]3)N A604950
c1c2c(cc(c1O)O)OC(=O)[C@H](C2)N.Cl A604955
CC(C(=O)c1ccc(c(c1)OC)OC)N.Cl A604960
CN(CCC#N)c1nc2cc(c(cc2c(n1)N)OC)OC A604965
[2H]C([2H])([2H])N(CCC#N)c1nc2cc(c(cc2c(n1)N)OC)OC A604967
CN(CCCN)c1nc2cc(c(cc2c(n1)N)OC)OC.Cl A604970
[2H]C([2H])([2H])N(CCCN)c1nc2cc(c(cc2c(n1)N)OC)OC A604972
Cc1cc(cc(c1N)C)CCCO A604985
Cn1c2ccc(cc2n(c1=O)C)N.Cl A604995
[2H]C([2H])([2H])n1c2ccc(cc2n(c1=O)C([2H])([2H])[2H])N.Cl A604997
Cc1ccccc1c2ccc(c(c2)C)N A605000
Cc1cc2c(o1)cc3c(n2)nc(n3C)N A605070
Cc1ccccc1c2ccc(c(c2)C)N.Cl A605150
Cc1c(=O)n(c2c(n1)c(nc(n2)C)N)[C@H]3C[C@H]([C@H](O3)CO)O A605170
Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3c4c(c(nc(n4)C)N)nc(c3=O)C)OC(=O)c5ccc(cc5)C A605172
Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@H](O2)n3c4c(c(nc(n4)C)N)nc(c3=O)C)OC(=O)c5ccc(cc5)C A605173
Cc1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3c4c(c(nc(n4)C)N)nc(c3=O)C)OC(=O)c5ccc(cc5)C A605174
CC1C(=O)C(C(=O)C(=C1N)C(=O)CC#N)C A605175
[2H]C([2H])([2H])NC(=O)c1c(ncn1C)N A605177
CNC(=O)c1c(ncn1C)N A605178
Cc1cc2c(nc1)nc(n2C)N A605180
Cc1cc2c(cccn2)c3c1n(c(n3)N)C A605200
[2H]C([2H])([2H])n1c2c(cc3c(c2nc1N)cccn3)C A605202
Cc1cc2c(cccn2)c3c1n([13c](n3)N)C A605300
Cc1cc2c(cccn2)c3c1n([14c](n3)N)C A605400
Cc1cnc2c(n1)ccc3c2nc(n3C)N A606550
Cc1cnc2ccc3c(c2n1)nc(n3C)N A606600
Cc1cnc2ccc3c(c2n1)[15n][13c]([15n]3C)N A606602
Cc1cnc2ccc3c(c2n1)n[13c](n3C)N A606700
Cc1cnc2ccc3c(c2n1)n[14c](n3C)N A606800
Cc1cnc2c(cc3c(c2n1)nc(n3C)N)Nc4[nH]c(=O)c5c(n4)n(cn5)[C@H]6CC([C@H](O6)CO)O A606815
Cc1c(noc1N)C A606835
[2H]C([2H])([2H])n1c2ccc3c(c2nc1N)nc(cn3)C A606850
Cc1cc(c(nc1C)N)NC A607045
Cn1c(c(c(=O)n(c1=O)C)N=O)N A607175
Cc1cc(cc(c1N)C)/C=C\C#N A607330
[2H]C([2H])([2H])c1cc(cc(c1N)C([2H])([2H])[2H])/C=C\C#N A607332
Cc1cc(cc(c1N)C)/C=C/C#N.Cl A607340
[2H]C([2H])([2H])c1cc(cc(c1N)C([2H])([2H])[2H])/C=C/C#N.Cl A607342
CC(C)(CN)C(=O)N A607370
[2H]C([2H])([2H])C(CN)(C(=O)N)C([2H])([2H])[2H] A607372
CC(C)(CN)CO A607380
Cc1c(=O)[nH]c2c(n1)c(nc(n2)C)N.CC(=O)O A607415
Cc1c(nc2c(n1)c(nc(n2)C)N)[O-].[Na+] A607420
Cc1cn(nc1N)C A607430
Cc1c(cn(n1)C)N A607435
Cc1cc(n(n1)C)N A607440
Cc1c(cnn1C)N A607445
Cc1c2c(c(nc1N)C)c3ccccc3[nH]2.CC(=O)O A607500
Cc1c2c3ccccc3[nH]c2c([13c](n1)[15NH2])[13CH3].CC(=O)O A607502
Cc1c2c(c(n[14c]1N)C)c3ccccc3[nH]2.CC(=O)O A607600
Cc1ccc(nc1C)N A607640
Cc1cc(nc(n1)N)C A607720
Cc1cc(nc(n1)C)N A607725
Cn1cnc2c1c(=O)n(c(=O)n2C)N A607870
[2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])N A607872
Cc1ccc(cc1)S(=O)(=O)N[C@H](c2ccccc2)[C@@H](c3ccccc3)N A607875
c1ccc(cc1)[C@@H]([C@@H](c2ccccc2)O)N A607880
CCOc1cc(ccc1N2C(=O)c3ccccc3C2=O)N A607885
CCCn1c(c(c(=O)n(c1=O)CCC)N=O)N A608000
CCCn1c(cc(=O)n(c1=O)CCC)N A608070
C1C([C@H]([C@@H](C(N1CCCCCCCCCCCCN)CO)O)O)O A608080
c1ccn2c(c1)nc3c2nc(cc3)N.Cl A608800
C.c1ccn2c(c1)nc3c2nc(cc3)N A608801
c1ccn2c(c1)nc3c2n[13c]([13cH][13cH]3)N.Cl A608802
COC(=O)CCCCCCCCCCCN.Cl A608807
C(CCCCCCO)CCCCCN A608810
[2H]C([2H])([2H])Oc1ccccc1OCCN A608812
CS(=O)(=O)SCCCCCCCCCCCCN.Cl A608814
[2H]C([2H])([2H])Oc1cc(ccc1OCCN)O A608816
COc1cc(ccc1OCCN)O A608817
COc1ccc(cc1OCCN)O A608818
CCOc1ccccc1OC(c2ccccc2)C(CN)O.CS(=O)(=O)O A608820
[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC(c2ccccc2)C(CN)O.CS(=O)(=O)O A608822
c1c2c(cc(c1NCCN)Cl)n(cc(c2=O)C(=O)O)C3CC3 A608824
C(CSS(=O)(=O)CCN)N A608825
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCN)NC(=O)N2 A608830
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])N A608835
c1cc(ccc1C(=O)NCCN)Cl.Cl A608840
[2H]C([2H])(C([2H])([2H])O)NCCN A608842
COC(=O)c1cccc(c1)CCN A608845
c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl A608850
C.c1cc(c2ccncc2c1S(=O)(=O)NCCN)Cl A608851
C(COCCOCCOCCOCCOCCOCCN=[N+]=[N-])N A608855
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN A608860
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCN A608865
C(COCCOCCOCCOCCOCCN=[N+]=[N-])N A608870
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCN A608875
C(COCCOCCOCCOCCN=[N+]=[N-])N A608880
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCN A608885
Cc1cc(c(c(c1CC(=O)NCCN)C)O)C(C)(C)C.Cl A608890
c1cc(c(cc1C(=O)O)F)N A609620
Cc1cc(c(s1)N)C(=O)c2ccccc2F A609622
c1ccc(c(c1)C(=O)c2cc(ccc2N)Br)F A609625
[13CH2]([13C@H]([13C](=O)O)F)N A609632
c1ccc(c(c1)C(=O)c2ccc(cc2)F)N A609635
CC(C)S(=O)(=O)c1ccc(c2c1ccc(n2)C[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5)O A609640
CC(=O)N1CSC[C@H]1C(=O)O A609645
[2H]C([2H])([2H])C(=O)N1CSC[C@H]1C(=O)O A609647
CC(C)Cn1c(c(c(=O)n(c1=O)C)NC=O)N A609650
c1[nH]c(=O)c(c(n1)N)NC=O A609660
Cn1c(=O)c(c([nH]c1=O)N)N(C)C=O A609670
c1c(nc-2c(=O)nc(nc2[nH]1)N)C=O A609685
[C@@H]1([C@H]([C@H](OC([C@@H]1N)O)C(=O)O)O)O.Cl A609690
C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)OC(=O)N)\C)C)O)OC A609700
C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)[15NH2])/C)OC)O[13C](=O)[15NH2])\C)C)O)OC A609702
c1cc(ccc1c2cc(=O)c3cc(ccc3o2)O)N A609750
CCC1(CCC(=O)NC1=O)c2ccc(cc2)N A609810
CC[C@]1(CCC(=O)NC1=O)c2ccc(cc2)N.C(C(C(=O)O)O)(C(=O)O)O A609815
COc1ccc(nc1)N A611959
Cc1cc2c(cccn2)c(c1NC)N A611960
CO/N=C(/c1csc(n1)N)\C(=O)O A611965
[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)O A611967
Cc1cc(c(cc1S(=O)(=O)O)OC)N A611970
COC(=O)/C(=N\OC)/c1csc(n1)N A611975
[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)OC A611977
CNc1cc(cnc1N)c2ccccc2 A611980
C[N+]1(CCCC1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)NC(=O)/C(=N\OC)/c5csc(n5)N)SC2)C(=O)[O-] A611985
[2H]C([2H])([2H])Nc1ccc(cc1N)C(=O)N(CCC(=O)OCC)c2ccccn2 A611992
COc1ccnc(c1)N A611995
[2H]C([2H])(C([2H])([2H])NC(=O)Cc1c(cc(c(c1C)O)C(C)(C)C)C)N.Cl A608892
CC(C)(C)OC(=O)N(C)CCN A608895
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCN.Cl A608900
c1ccc2c(c1)C(=O)N(C2(c3ccc(cc3)Cl)O)CCN.Cl A608910
[2H]C([2H])(C([2H])([2H])N1C(=O)c2ccccc2C1(c3ccc(cc3)Cl)O)N.Cl A608912
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)N(C1)CCN A608925
C[C@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)N.Cl A608930
[2H]C([2H])([2H])[C@@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)N.C A608932
CC(C(=O)NCCN)Oc1c(cccc1Cl)Cl A608935
c1cc(c(cc1SSCCN)C(=O)O)[N+](=O)[O-] A608940
Cc1cc(cc(c1CC(=O)NCCN)C)C(C)(C)C A608945
[2H]C([2H])(C([2H])([2H])NC(=O)Cc1c(cc(cc1C)C(C)(C)C)C)N A608947
C(CSSCCN)C(=O)O A608950
C1COC(O1)CCN A608960
CC1(OCCO1)CCN A608965
C(CNCC(=O)O)N A608975
c1cc2ccncc2c(c1)S(=O)(=O)NCCN A608995
c1cc2cnccc2c(c1)S(=O)(=O)NCCN A609000
c1cc2cnccc2c(c1)S(=O)(=O)NCCN.Cl A609001
C(CON)N A609020
CCOCc1cnc(nc1N)C A609035
C1=CC(=O)N(C1=O)CCN.C(=O)(C(F)(F)F)O A609050
CC(=O)N(C[C@H](CN)O)c1ccc(c(c1)F)N2CCOCC2.Cl A609075
CS(=O)(=O)SCCN.Br A609100
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)NCCSS(=O)(=O)C)C)C)(F)F A609160
CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CCN A609165
Cc1ncc(n1CCN)[N+](=O)[O-] A609170
[2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)NC(=O)OCC A609177
Cc1ccc(cc1)C(CN)O A609180
[2H]C([2H])([2H])c1ccc(cc1)C(CN)O A609182
CN1CCCC1CCN A609185
Cc1ccc(cc1)C(=O)CN.Cl A609190
[2H]C([2H])([2H])c1ccc(cc1)C(=O)CN.Cl A609192
Cn1c(nnn1)N A609195
c1cc2c(cccc2S(=O)(=O)O)c(c1)NCCN A609200
c1cc2c(cccc2S(=O)(=O)[O-])c(c1)NCCN.[Na+] A609250
c1cc2cccc(c2c(c1)NCCN)S(=O)(=O)O A609400
c1cc2cccc(c2c(c1)NCCN)S(=O)(=O)[O-].[Na+] A609405
c1cc(nc(c1[N+](=O)[O-])N)NCCN A609445
c1cn(nc1[N+](=O)[O-])CCN.Cl A609460
c1cc(ccc1CCN)S(=O)(=O)NC(=O)N[C@H]2CCC[C@H](C2)O.C(=O)(C(F)(F)F)O A609480
c1c(ccc(c1)S(=O)(=O)NC(=O)N[C@H]2CC[C@@H](CC2)O)CCN.C(=O)(O)C(F)(F)F A609490
CCN1CCCC(C1)NC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A609495
[2H]C([2H])([2H])C([2H])([2H])N1CCCC(C1)NC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A609497
CCc1ccnc(c1)N A609500
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)CSS(=O)(=O)[O-])NC(=O)N2.[Na+] A609520
CNCc1ccc(o1)CSCCN A609530
C[N+](C)(C)CCN.C(=O)(C(F)(F)F)O.[Br-] A609540
C#Cc1ccc(c(c1)N)O A609555
C#Cc1cc(ccc1O)N A609565
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)N A609580
[2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3F)N A609582
c1cc(c(c(c1)F)C#N)N A609585
c1cc(c(c(c1)F)O)N A609590
c1cc(c(cc1O)F)N A609595
c1cc(c(cc1F)O)N A609600
CS(=O)(=O)SC[C@@H](C(=O)Nc1ccc(c(c1)C(=O)O)c2c3ccc(cc3oc-4cc(=O)ccc24)O)N.C(=O)(C(F)(F)F)O A609615
c1cc(c(cc1F)C(=O)O)N A609617
CC[C@@]1(CCC(=O)NC1=O)c2ccc(cc2)N.C(C(C(=O)O)O)(C(=O)O)O A609820
[HH].C(=O)O[O-].[13C](=N)(N)N[NH] A609847
c12c([nH]c(n1)N)nc([nH]c2=O)N A609860
C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2N)O)O)O A609875
CC/C=C/[C@H]([C@H](CO)N)O A609950
CC/C=C/[C@H]([C@H](COCC)N)O A609960
C(COCCOCCOCCOCCOCCO)N A609980
C(CCC(=O)O)CCN A609985
C(C/C=C/C(=O)O)CN.Cl A609990
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCCN.Cl A610000
c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCCCCN.Cl A610500
C(CCCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O)CCN A610650
CS(=O)(=O)SCCCCCCN.Br A610775
c1ccc2c(c1)cccc2S(=O)(=O)NCCCCCCN.Cl A611000
c1ccc2cc(ccc2c1)S(=O)(=O)NCCCCCCN.Cl A611050
CCCCCCc1cccc(c1)NC(=O)[C@H](CCP(=O)(O)O)N.Br A611070
C[N+](C)(C)CCCCCCN.Br.[Br-] A611080
[2H]C([2H])([2H])[N+](CCCCCCN)(C([2H])([2H])[2H])C([2H])([2H])[2H].Br.[Br-] A611082
C[N+](C)(C)CCCCCCN.Cl.[Cl-] A611085
C1C(=O)NC(=O)N1N.Cl A611090
[13CH2]1[13C](=O)N[13C](=O)N1N A611092
C[C@@]12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)O)N)C.Cl A611120
c/1(=N\N)\[nH][nH]c(=S)n1N A611170
CC(=O)c1cccc(c1O)N.Cl A611180
C(C(C(=O)O)N)NO A611190
C(C(C(=O)O)N)[15NH]O A611192
c1cc(c(cc1CC(=O)O)N)O A611195
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N)O A611200
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N)O)NC(=O)N A611203
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N)O)N3CCCNC3=O A611205
c12c([nH]c(nc1=O)N)[nH]c(=S)[nH]2 A611210
c1([nH]c(nc(=O)n1)Cl)N A611220
c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)O A611225
C1CC(C1)CC(C(C(=O)N)O)N.Cl A611230
C(CCN)CC(CO)CO A611235
CCOC(=O)[C@@H]([C@@H](CCCCCCCCCCCC(C)C)O)N A611240
Cc1c(onc1O)CC(C(=O)O)N.O A611250
Cc1c(c(no1)O)CC(C(=O)O)N A611500
Cc1c(c(no1)O)C[13CH]([13C](=O)O)[15NH2] A611502
Cc1c(c(no1)O)CC(C(=O)O)N.Br A611550
c1cc(ccc1Nc2ccc(c3c2ccc(c3)S(=O)(=O)O)N)O A611570
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC([C@H](Cc3ccccc3)N)O A611580
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)N)O A611582
CC(CN)C(=O)O.Cl A611585
[2H]C([2H])([2H])C(CN)C(=O)O.Cl A611587
c1cc2c(cc1N)CNC2=O A611590
c1cc2c(cc1N)C(=O)NC2 A611595
c1ccc2c(c1)cncc2N A611600
c1cncc(c1N)O A611605
c1cc(ncc1O)N A611610
Cc1ccc(cc1)c2c3c(ncnc3n(c2C(=O)CCl)CCCO)N A611615
[2H]C([2H])(C([2H])([2H])n1c(c(c2c1ncnc2N)c3ccc(cc3)C)C(=O)CCl)C([2H])([2H])O A611617
CC1([C@@H](NC(S1)CNC(=O)[C@@H](c2ccc(cc2)O)N)C(=O)O)C A611620
CC(C)C([C@@H](C(=O)O)N)O.Cl A611625
c1c(nc(s1)N)CO A611630
c1cc(nc2c1ccc(n2)O)N A611635
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)N)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-].C(=O)(C(F)(F)F)O A611640
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC([C@H](CSc3ccccc3)N)O A611645
CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC([C@H](CSc3ccccc3)N)O A611650
c1ccc(cc1)SC[C@@H](C(CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)O)N A611655
c1cc(ccc1CC(=O)N)OCC(CN)O A611656
c1cc(c(nc1)N)O A611658
c1c(cnc(n1)N)O A611660
c1c(ncnc1O)N A611665
CCCCCCCCC/C=C/[C@H]([C@H](C(=O)OCC)N)O A611670
c1cc2ccc(nc2c(c1)O)N A611675
c1cc2c(ccc3c2nc([nH]3)N)nc1 A611680
c1[nH]c(c(n1)C#N)N A611685
c1[nH]c(c(n1)N)C(=O)N A611690
c1[nH][13c]([13c]([15n]1)C(=O)N)N.Cl A611692
CCOC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N)C.Cl A611695
c1nc(c(n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)C(=O)N A611700
c1[15n][13c]([13c](n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)C(=O)N A611702
c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)C(=O)N A611705
c1cnc([nH]1)N A611706
c1ccc2c(c1)cc([nH]2)N.Cl A611707
c1cc(c2cc[nH]c2c1)N.Cl A611709
c1cc2c(cc[nH]2)cc1N A611710
c1ccc2c(c1)CC[C@H]2N A611715
c1ccc2c(c1)CC[C@@H]2N.Cl A611716
[2H][C@@]1(c2ccccc2CC1([2H])[2H])N.Cl A611717
[2H][C@]1(c2ccccc2CC1([2H])[2H])N A611718
c1cc(ncc1I)N A611720
c1ccn2c(c1)ncc2N A611725
CC(C)Cn1c(c(c(=O)n(c1=O)C)N=O)N A611730
c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](CC2COC(=O)c3ccccc3)n4cnc5c4c(nc(n5)N)I A611735
CC(C)Cn1c(cc(=O)n(c1=O)C)N A611740
CC(C)Cn1c(cc(=O)[nH]c1=O)N A611742
c1cncc(c1C(=O)O)N A611745
CC(C)Nc1nc(nc(n1)Cl)N A611750
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)Cl)N A611752
C(=N)(N)S(=O)(=O)O A611755
[13C](=[15NH])([15NH2])S(=O)(=O)O A611757
CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H](C(CCCO)O)NC(=O)OCc2ccccc2 A611760
c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N)C(=O)N A611765
c1cc2cnccc2c(c1)N A611770
c1cc(ccc1[C@H]2CN3CCSC3=N2)N A611775
C(CC(=O)O)C(=O)CN.Cl A611780
C([13CH2]C(=O)CN)C(=O)O.Cl A611782
CCN(CC)CC(=O)Nc1c(ccc(c1C)N)C A611785
C(CC(=O)O)CNC(=O)C(C(=O)NCCCC(=O)O)N.C(=O)(C(F)(F)F)O A611790
C(C(=O)N)(C(=O)N)N A611795
C(CNC(=O)C(C(=O)NCCC(=O)O)N)C(=O)O.C(=O)(C(F)(F)F)O A611810
c1c([nH]cn1)N A611815
C(C(C(=O)O)Cl)SC(=[NH2+])N.[Cl-] A611820
c1ccc2c(c1)CC(C2)N A611825
c1[nH]c2c(n1)c(nc(n2)N)S A611830
c1[nH][13c]2[13c]([15n]1)c(nc(n2)N)S A611832
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc(c3N)C(=O)N)C A611840
c1nc2c(n1[C@H]3[C@H](C([C@H](O3)CO)O)O)nc(nc2S)N A611850
c1cc(c(cc1N)S)O.Cl A611870
c1c2c(nc(nc2[nH]n1)S)N A611900
COC[C@@H]1CCCN1N A611925
c1cnc(=S)[nH]c1N A611930
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3S)N)OC(=O)C)OC(=O)C A611935
C([C@@H]1[C@@H](C2[C@@H](O1)N=C(O2)N)O)O A611940
CN(C(=O)c1cc(ccc1N)[N+](=O)[O-])OC A611943
COc1cc(nc(n1)SC)N A611945
COc1ccnc(c1[N+](=O)[O-])N A611947
COc1cc(ccc1O)N.Cl A611948
COc1ccc(cc1)C(CN)C2(CCCCC2)O A611950
COc1ccc(cc1N)c2nc3cc(ccc3o2)c4ccccc4 A611955
CC(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N.Cl A611956
[2H]C([2H])([2H])C(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N.Cl A611957
COc1cnc(nc1)N A611958
CNCC(C(=O)O)N.Cl A612000
[2H]C([2H])([2H])NCC(C(=O)O)N.Cl A612002
CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N A612500
[2H]C([2H])(C([2H])([2H])N1CCOCC1)NC(=O)[C@H]([C@@H](C)CC)N A612502
CNc1ccc2c(c1N)cccn2 A613085
[2H]C([2H])([2H])Nc1ccc2c(c1N)cccn2 A613087
CNc1ccc2cccnc2c1N A613090
CNc1ccc2c(c1N)nccn2 A613125
Cn1cnc(c1C(=O)N)N A613135
Cc1cc2c(cccn2)c(c1N(C)N=O)N A613150
c1cc(c(=O)[nH]c1)CN.Cl A617800
Cc1c2c3ccccc3[nH]c2cc(n1)N.CC(=O)O A618001
Cc1c2c3ccccc3[nH]c2[13cH][13c](n1)[15NH2].CC(=O)O A618002
CO/N=C/1\CNCC1CN A618215
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)N A618220
Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)N A618225
CC1(CC(C(N1[O-])(C)C)CN)C A618230
Cc1cnc(s1)N A618235
CCOC(=O)c1cnc(nc1N)SC A618240
Cn1c(=O)cc(nc1SC)N A618245
[2H]C1(CCc2c(c(c3ccccc3n2)N)C1([2H])O)[2H].C(=C\C(=O)O)\C(=O)O A629902
[2H]c1c(c(c2c(c1[2H])c(c3c(n2)CCCC3O)N)[2H])[2H].Cl A629903
CCOC(=O)N1CCc2c(sc(n2)N)CC1 A629920
CCOC(=O)N1CCCc2c(sc(n2)N)C1 A629925
CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C A629930
COc1ccc(c2c1CC[C@@](C2)([13C](=O)OC)N)OC A629937
c1c2c(c(cn1)N)CCCC2 A629940
c1ccc2c(c1)CCC[C@@H]2N A629950
C1CN(C(=O)OC1)N A629960
CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)N)O.Cl A629970
C1CNC(=NC1)N.Cl A629980
Cc1ccc(c(c1)C(=O)O)N A614050
CC(=N)NCc1cccc(c1)CN A614100
c1cc(ccc1CN)CO A614250
[2H]C([2H])(c1cccc(c1C)N)O A614350
[2H]C([2H])(c1cccc(c1C)N)Br.Br A614357
c1cc(ccc1CN)COc2c3c(nc[nH]3)nc(n2)N A614372
Cc1cc(ccc1N)c2ccccc2 A614425
[2H]c1c(c(c(c(c1[2H])[2H])c2ccc(c(c2)C)N)[2H])[2H] A615000
Cc1cc(ccc1N)c2ccccc2.Cl A615002
C[C@@](CC(=O)O)(C(=O)O)N.Cl A615010
CCOC(=O)/C(=C(/C)\N)/C A615265
CC(C)CC(c1ccccc1N)N A615275
CC(CC(=O)O)CN.c1cc2c(cccc2S(=O)(=O)O)c(c1)S(=O)(=O)O A615290
c1ccc(c(c1)C2=NCC(Nc3c2cc(cc3)Cl)CN)F A615300
c1ccc(c(c1)C2=NCC(Nc3c2cc(cc3)Cl)CN)F.C(=C\C(=O)O)\C(=O)O A615355
c1ccc(c(c1)C2=NC[13CH](Nc3c2cc(cc3)Cl)CN)F A615360
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OCC(=O)NCC2CN=C(c3cc(ccc3N2)Cl)c4ccccc4F)C(=O)OC)OC(=O)C A615362
Cc1cc(=O)oc2c1ccc(c2)N A615375
C1CC(=CCC1CN)C(=O)O A615425
Cc1c(=O)n(c2c(n1)c(ncn2)N)[C@H]3C[C@H]([C@H](O3)CO)O A615530
CCN(CC)C(=O)CC(CC(C)C)CN.C(C(C(=O)O)O)(C(=O)O)O A615680
COc1cc2c(cc(=O)oc2cc1OC)CN A615875
CC(=O)O.COc1cc(cc(c1CN)OC)OCCCCC(=O)O A615900
CC1(O[C@H](C[C@H](O1)CN)CC(=O)OC(C)(C)C)C A615950
Cc1cccn2c1nc3c2nc(cc3)N.O.Cl A616100
Cc1cccn2c1nc3c2n[13c]([13cH][13cH]3)N.O.Cl A616102
CC1(c2cc(ccc2N(C1=C)C)N)C A616140
CC(C)(c1nc(c(c(=O)n1C)O)C(=O)NCc2ccc(cc2)F)N A616150
[2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)N)C(=O)NCc2ccc(cc2)F)O A616152
CC(C)(C)OC(=O)CN(CC(CN)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C A616160
CCN1CCC[C@H]1CN A616175
c1cc(ccc1CN2CCOC(C2)CN)F A616180
c1cc(ccc1CN2CCOCC2CN)F A616185
c1cc2c(cc1F)CCC(O2)C(CN)O A616190
c1cc2c(cc1F)CC[C@H](O2)[C@@H](CN)O A616195
Cn1c2ccc3cnccc3c2nc1N A616200
Cn1c2ccc3cnccc3c2nc1N.Br A616210
CC(C)CCC(C)N A616220
Cn1c2ccc3ccncc3c2nc1N A616250
Cn1cnc(c1C(=O)O)N A616275
Cc1cccn2c1ncc2N A616320
Cn1c2cc3ccccc3nc2nc1N A616350
Cn1c2ccc3c(c2nc1N)cccn3 A616500
Cn1c2ccc3c(c2n[13c]1N)cccn3 A616600
Cn1c2ccc3c(c2n[14c]1N)cccn3 A616700
[2H]C([2H])([2H])n1c2ccc3c(c2nc1N)cccn3 A616720
Cn1c2ccc3cccnc3c2nc1N A616750
Cn1c2c3cccnc3ccc2nc1N A616800
c1cc2c(cc[nH]2)cc1CN A616825
Cc1ccc(c(n1)N)C#N A616850
Cn1c2ccc3c(c2nc1N)nccn3 A616900
[2H]C([2H])([2H])n1c2ccc3c(c2nc1N)nccn3 A616902
Cc1c(c2ccccc2c(n1)N)C#N A616915
Cc1cc(no1)N A616920
Cc1cc(sn1)N.Cl A616930
CNc1c(n(c(=O)[nH]c1=O)C)N A616940
CC1(COC(N1O)(C)CN)C A616945
CN1CC[C@H]([C@@H]1c2cccnc2)CN A616950
Cc1cc(cnc1N)[N+](=O)[O-] A616955
Cc1ccnc(c1[N+](=O)[O-])N A616960
C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)N A616965
C[C@@H]1[C@@H](C(=O)N1S(=O)(=O)O)N A616970
c1cc(ccc1N2CCOCC2=O)N3C[C@@H](OC3=O)CN A616975
[2H]c1c(c(c(c(c1N2CCOCC2=O)[2H])[2H])N3C[C@@H](OC3=O)CN)[2H] A616977
CC[C@H](C)[C@@H](COC(Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)N.Cl A616985
Cn1c2cc(cnc2nc1N)c3ccccc3 A617000
Cn1c2cc(cnc2nc1N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c4ccccc4 A617005
Cn1c2cc(cnc2n[14c]1N)c3ccccc3 A617200
[2H]C([2H])([2H])n1c2cc(cnc2nc1N)c3ccccc3 A617350
Cc1ccc(cc1)Sc2c3c(nc(n2)N)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C A617360
c1ccc(cc1)Nc2c(cnc(n2)Nc3ccc(cc3)CN)F A617370
c1ccc2c(c1)C(OC2=O)CN.Cl A617385
CC(C)(C#N)N A617390
CC(C)(CO)N A617400
[2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])N A617402
CCCc1c(c(n(n1)C)C(=O)N)N A617415
CCCc1c(c(n(n1)C)C(=O)N)N.Cl A617420
CCCc1c(c(nn1C)C(=O)N)N A617425
Cn1cnc2c1ncnc2N A617450
Cc1cc(ccn1)N A617460
c1cc(cnc1)CN A617465
Cc1ccnc(c1)N A617470
[2H]c1c(nc(c(c1C([2H])([2H])[2H])[2H])N)[2H] A617472
Cn1c(ccn1)N A617475
Cc1cc([nH]n1)N A617480
Cc1ccncc1N A617485
[2H]c1c(c(c(nc1[2H])[2H])CN)[2H] A617492
Cc1ccc(nc1)N A617495
[2H]C([2H])([2H])c1ccc(nc1)N A617497
Cc1cc2c3ccccc3[nH]c2nc1N A617500
[2H]C([2H])([2H])c1cc2c3ccccc3[nH]c2nc1N A617502
CSc1nc(cc(n1)O)N A618250
Cc1cc2c(s1)Nc3ccccc3N=C2N.Cl A618255
Cc1cc(c(s1)N)C#N A618260
CSc1ncc(c(n1)N)CO A618265
Cc1cc(cc(n1)N)C(F)(F)F A618270
Cn1c(=O)cc([nH]c1=O)N A618275
[2H]C([2H])([2H])n1c(=O)cc([nH]c1=O)N A618277
c1csc(n1)CN A618280
CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)N)O)C(=O)N)O)N(C)C)O A618285
c1cc(ccc1CN2CCOCC2)c3cc(c(s3)C(=O)N)N A618295
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)N A618300
[2H]C([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3)N A618302
c1cc2cc(ccc2c(c1)N)S(=O)(=O)O A618325
c1cc2c(cccc2S(=O)(=O)N)c(c1)N.Cl A618350
c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N A618360
CN1CCCC1c2cccnc2N A618370
CC(C)(C)n1c(c(c(n1)c2ccc3ccccc3c2)C#N)N A618375
c1cc(c(nc1)N)C(=O)O A618380
c1cc(ncc1C(=O)O)N A618385
c1ccc(cc1)C2=NCC(=O)Nc3c2cc(cc3)N A618390
[2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)Nc3c2cc(cc3)N)[2H])[2H] A618392
c1cc(c(c(c1)[N+](=O)[O-])N)C(=O)O A618394
c1cc(c(cc1N)C(=O)O)[N+](=O)[O-] A618395
c1cc(c(cc1C#N)[N+](=O)[O-])N A618398
c1ccc(cc1)C(=O)c2cc(ccc2N)[N+](=O)[O-] A618400
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cc(ccc2N)[N+](=O)[O-])[2H])[2H] A618402
c1cc-2c(cc1N)Cc3c2ccc(c3)[N+](=O)[O-] A618405
c1ccc(c(c1)C(=O)c2cc(ccc2N)[N+](=O)[O-])Cl A618410
COCOc1ccc(c(c1)[N+](=O)[O-])N A618415
c1ccc(c(c1)C(=O)c2cc(ccc2N)[N+](=O)[O-])F A618420
c1cc(sc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])N A618425
c1cc(nc(c1[N+](=O)[O-])N)NCCNC(=N)N.Cl A618430
c1c(cnc(n1)N)[N+](=O)[O-] A618435
Cc1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)N A618440
[2H]C([2H])([2H])c1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)N A618442
Cn1c(=O)c(c([nH]c1=O)N)N=O A618445
[2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)N=O A618447
CCCOc1ccccc1c2[nH]c(=O)c(c(n2)N)N=O A618450
c1(c([nH]c(=S)[nH]c1=O)N)N=O A618455
c1(c(=O)[nH]c(=S)[nH][13c]1N)[15N]=O A618457
c1cc(c(cc1N)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+] A618460
c1(c([nH]c(=S)[nH]c1=O)N)[N+](=O)[O-] A618465
c1(=O)[13c]([13c]([nH]c(=S)[nH]1)N)[15N+](=O)[O-] A618467
c1cc(ccc1CNc2ccc(c(n2)N)[N+](=O)[O-])F A618470
[2H]c1c(c(c(c(c1CNc2ccc(c(n2)N)[N+](=O)[O-])[2H])[2H])F)[2H] A618472
c1c(c(cc(c1N)O)[N+](=O)[O-])C(F)(F)F A618475
c1cc(c(cc1[N+](=O)[O-])N)O A618480
c1cc(c(cc1O)[N+](=O)[O-])N A618485
c1(c([nH]c(=O)[nH]c1=O)N)[N+](=O)[O-] A618495
c1cc(ccc1CC(C(=O)N)N)[N+](=O)[O-] A618500
CCCCCC[C@H]([C@H](C)O)N A618520
CCCCCC[C@H]([C@@H](C)O)N A618525
c1cc(ccc1N)NC(=O)C(=O)O A618565
[2H]C1(C(OC(=O)N1N)([2H])[2H])[2H] A618572
CC[C@@H](C(=O)N)NC(=O)CCCCl A618580
[2H]C([2H])([2H])C[C@@H](C(=O)N)NC(=O)CCCCl A618582
CC(=O)CC[C@@H](C(=O)O)N.Br A618585
c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CON A618595
C(CON)N(CC(=O)O)CC(=O)O.Cl A618600
C[C@@H](C(=O)CCCCCC(=O)O)N A618750
c1ccc(cc1)C[C@@H](C(=O)N2CCCC2)N A618760
c1ccc(cc1)C[C@@H](C(=O)N2CCCC2)N.C(=O)(C(F)(F)F)O A618770
c1ccc(cc1)SC[C@@H](CC(=O)N2CCOCC2)N A618775
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)O)N A618780
c1cc2c(=O)cc(oc2c(c1)N)c3[nH]nnn3 A618785
c1cc(sc1)[C@@H]2CNC(=O)[C@H](CS2)N A618795
c1cc(sc1)[C@H]2CNC(=O)[C@H](CS2)N A618796
CC1(C[C@H]([C@H](C(N1O)(C)C)C(=O)O)N)C A618875
CC1(C[C@@H]([C@H](C(N1[O])(C)C)C(=O)O)N)C A618885
CC[C@H](CC#N)N.CS(=O)(=O)O A618890
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N)C(=O)O)C A618895
CC1([C@@H]([C@H](C(N1[O])(C)C)N)C(=O)O)C A618905
C(CON)CS.Cl A618910
c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)CCCC(=O)c4ccc(cc4)F)CCc5ccc(cc5)N A618915
c1cc(ccc1N)O A618920
[13cH]1[13cH][13c]([13cH][13cH][13c]1N)O A618922
Cc1ccc(c(c1)OCCOc2ccccc2N)N A618925
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)N A618940
[2H]C([2H])([2H])NC(=O)c1cc(ccn1)Oc2ccc(cc2)N A618942
CCOC(CCCCN)OCC A618945
[2H]C([2H])(C)C([2H])(C([2H])([2H])C)N A618952
Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)CCCCN A618960
CC(CCCO)N A618965
[2H]C([2H])(CC(C)N)C([2H])([2H])O.Cl A618967
c1cc(cnc1)C(=O)CCCCN A618970
[2H]C([2H])(CC(=O)OC)C([2H])([2H])CN.Cl A618982
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCN.Cl A619000
c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCCCN.Cl A619500
CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)NCCCCCN)C(=O)O A619600
C1=CC(=O)N(C1=O)CCCCCN.C(=O)(C(F)(F)F)O A619900
CS(=O)(=O)SCCCCCN.Br A619950
CN(CCCCC[NH])CCN(Cc1ccc(cc1)OC)c2ccccn2.C(=C\C(=O)O)\C(=O)O A620125
c1ccc2c(c1)cccc2S(=O)(=O)NCCCCCN.Cl A620500
Cc1c(c(=O)n(n1C)c2ccccc2)N A621000
[2H]C([2H])([2H])n1c(c(c(=O)n1c2ccccc2)N)C A621002
c1ccc(cc1)Oc2ccc(cc2)CCNc3c4cc(ccc4ncn3)N A621350
CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)N A621600
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2ccc(cc2)N)CO)O)O A622000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)N)CO)O)O A622050
c1cc(cc(c1)N)CC(=O)O A622250
c1cc(ccc1C[C@@H](C(=O)O)N)N.Cl A622375
Cc1cc(c(s1)Nc2ccccc2N)C#N A622420
c1cc(ccc1N)[As]=O A622500
COC(=O)C1CN(C1)c2cccc(c2)N A622525
B(c1cccc(c1)N)(O)O.O A622530
c1ccc(c(c1)CCCC(=O)O)N.Cl A622545
c1cc(cc(c1)N)CCCC(=O)O.Cl A622550
c1cc(ccc1N)O[C@H]2C([C@H]([C@@H](C(O2)CO)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O)O A622590
C[C@@H]1CC(=O)NN=C1c2ccc(cc2)N A622630
C/C(=N\c1ccc(cc1)N)/N(C)C A622650
[2H]C([2H])([2H])N(/C(=N/c1ccc(cc1)N)/C)C([2H])([2H])[2H] A622652
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N.Cl A622670
c1cc(ccc1[C@@H]([C@H](CO)N)O)[N+](=O)[O-] A622685
c1cc(ccc1N)[As](Cl)Cl.Cl A622700
c1ccc(c(c1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A623995
c1ccc(c(c1)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O.Cl A624000
c1cc(ccc1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A624005
c1cc(ccc1N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A624010
c1cc(ccc1N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O A624700
c1cc(ccc1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O A624995
c1cc(ccc1N)O[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O.Cl A625000
c1cc(ccc1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O A625200
CC[C@@H](CC(=O)N1[C@@H](COC1=O)c2ccccc2)c3cccc(c3)N A625400
CCOC(=O)/C=C/C#Cc1cccc(c1)N.C(=O)(C(F)(F)F)O A625800
c1ccc(cc1)CCN2CCC(CC2)Nc3ccccc3 A625875
[2H]c1c(c(c(c(c1[2H])[2H])Nc2ccccc2CC(=O)[O-])[2H])[2H].[Na+] A625957
c1ccc(cc1)NC(=O)CCCCCC(=O)Nc2ccccc2N A625980
c1cc(ccc1N)N2CCOCC2=O A625990
[2H]c1c(c(c(c(c1N)[2H])[2H])N2CCOCC2=O)[2H] A625992
C[N+](C)(C)CCOP(=O)([O-])Oc1ccc(cc1)N A626000
c1ccc(cc1)[C@@H]([C@H](CO)N)O A626050
c1ccc(cc1)C[C@H](C(=O)N)N A626080
c1ccc(cc1)C[C@@H](C(=O)N)N A626085
c1ccc(cc1)c2cc(n[nH]2)N A626210
c1ccc(cc1)n2c(c(cn2)C#N)N A626250
c1ccc(cc1)n2c3c(cn2)c(ncn3)N A626500
c1ccc(cc1)c2ccc(nc2)N A626745
[2H]c1c(c(c(c(c1[2H])[2H])c2ccc(nc2)N)[2H])[2H] A626747
c1ccc(cc1)c2cccc(n2)N A626750
c1ccc2c(c1)c3ccncc3n2c4ccc(cc4)N A626800
[2H]c1c(c(c(c(c1N)[2H])[2H])n2c3ccccc3c4c2cncc4)[2H] A626802
c1cc(ccc1N)S[C@H]2C([C@H]([C@@H](C(O2)CO)O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O)O A626960
COc1ccc(cc1)[C@@H]([C@H](C(=O)OC)O)Sc2ccccc2N A626980
c1cc(ccc1N)S[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O.Cl A627000
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccccc2N)C(=O)OC)OC(=O)C A627190
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)N)C(=O)OC)OC(=O)C A627200
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Sc3ccc(cc3)N)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C A627325
c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O)O)O)N A627515
c1ccc2c(c1)cnnc2N A627660
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cccc(c3c(=O)[nH]n2)N)CO)O)O A627700
c1cc(c(nc1)C(=O)O)N A627800
c1cnc(cc1N)C(=O)O A627805
c1cc(ncc1N)C(=O)O A627810
C(CCC(=O)O)CC(C(=O)O)N A627900
C1CNCCC1(C(=O)O)N A627925
C1C[C@@H](CNC1)N A627935
Cn1c(=O)cc(n(c1=O)Cc2cc(ccc2C#N)F)N3CCC[C@H](C3)N.C(=O)(C(F)(F)F)O A627960
C1C[C@@H](N(C1)N)C(=O)O A628000
C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)OCC(CO[C@@H]2[C@H](OC([C@H]([C@H]2O)O)O)CO)N)O.Cl A628070
c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O A628095
[2H]C([2H])(CO)C([2H])([2H])N A628132
CCC(=O)N[C@H]1CCc2c(sc(n2)N)C1 A628150
[2H]C([2H])([2H])CC(=O)N[C@H]1CCc2c(sc(n2)N)C1 A628152
[2H]C([2H])([2H])CC(=O)N[C@@H]1CCc2c(sc(n2)N)C1 A628157
CC(C#N)N A628180
CC(C)c1cc(cc(c1O)C(C)C)N.Cl A628200
CCCNc1c(c(=O)c1=O)N A628225
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])Nc1c(c(=O)c1=O)N A628227
c1ccc2c(c1)[nH]c(n2)CCCN A628240
c1cc(cc(c1)C(=O)O)CCCN.Cl A628245
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCN.Cl A628250
c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)NCCCN.Cl A628300
C1=CC(=O)N(C1=O)CCCN.C(=O)(C(F)(F)F)O A628450
CS(=O)(=O)SCCCN A628600
C[C@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)N.Cl A628700
C(CN)COP(=O)(O)O A628750
C1CC(=O)N(C1)CCCN A628800
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N A628850
CCOP(=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)O A628870
c1c2c([nH]cn2)nc(n1)N A628886
c1nc(c2c(n1)n(cn2)CC(=O)O)N A628890
c1nc(c2c(n1)n(cn2)CCC(=O)O)N A628895
c1c2c(nc(n1)N)n(cn2)[C@H]3C([C@H]([C@H](O3)CO)O)O A628900
[2H]C([2H])(C([2H])([2H])O)n1cnc2c1ncnc2N A628912
c1nc(c2c(n1)n(cn2)CCNCCCCCO)N A628913
C[N+]1(CCCC1)c2c3c([nH]cn3)nc(n2)N.[Cl-] A628914
c1cn(c2n1c(=O)nc(n2)N)[C@H]3[C@H](C([C@H](O3)CO)O)O A628915
[2H]C([2H])(C([2H])([2H])OCP(=O)(OCC)OCC)n1cnc2c1ncnc2N A628917
c1cnc(c(n1)C(=O)O)N A628925
COC(=O)c1cnc(cn1)N A628930
COC(=O)c1c(nccn1)N A628935
c1cn[nH]c1N A628950
C1C(=NNC1=O)N A628955
c1cc2c(n[nH]c2nc1)N A628960
c1cncc(c1C=O)N A628965
c1c2c(ncnc2[nH]n1)N A628970
c1c(cn[nH]c1=O)N A628973
c1cc(c(nc1)C=O)N A628975
c1cc(ncc1S(=O)(=O)O)N A628980
c1ccnc(c1)N A628985
c1cc[15n]c(c1)N A628987
C.c1cc(cnc1)C(=O)CCCN A628990
c1cc(c(nc1)N)CO A628995
c1ccc2c(c1)c3ccc(nc3[nH]2)N A629000
c1ccc2c(c1)c3ccc([15n]c3[15nH]2)[15NH2] A629002
c1cc(nc2c1C3C=CC=CC3=N2)N A629005
c1c[n+](ccc1N)[O-] A629010
c1c[nH]c(=O)cc1N A629020
c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)[O-])N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] A629045
c1c(cnc(n1)N)C#N A629060
c1c(cnc(n1)C#N)N A629065
c1c(ncnc1O)N A629075
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N.Cl A629110
c1cc(c2cccnc2c1)N A629165
c1ccc2c(c1)ncc(n2)N A629170
C1CN2CCC1C(C2)N A629185
C1CN2CCC1[C@@H](C2)N A629190
[2H][C@]1(CN2CCC1CC2)N A629192
c1ccc(cc1)C2CN=C(O2)N A629200
[2H]c1c(c(c(c(c1[2H])[2H])C2CN=C(O2)N)[2H])[2H] A629202
CCOC(=O)c1cnn(c1)c2nc(c3c(n2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N A629210
CCCN1CCCCC1C(=O)Nc2c(ccc(c2C)N)C A629215
c1cc(c(cc1N)O)C(=O)O A629220
C1[C@H]2[C@@H](C(S1)CCCCC(=O)NCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O)NC(=O)N2 A629230
[2H]C([2H])(CC1[C@@H]2[C@H](CS1)NC(=O)N2)C([2H])([2H])CC(=O)NCCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O A629232
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O)NC(=O)N2 A629235
c1cc2ccc3cc4c(cccc4NC(=O)CCC(=O)O)c5c3c2c(c1)cc5 A629250
Cn1c(c(c(=O)[nH]c1=O)N(C)C(=O)c2ccc(cc2)S(=O)(=O)N)N A629325
CS(=O)(=O)SCCNc1ccc(c2c1non2)S(=O)(=O)N A629350
c1c2c(cc(c1Cl)S(=O)(=O)NCN3CNS(=O)(=O)c4c3cc(c(c4)S(=O)(=O)N)Cl)S(=O)(=O)NCN2 A629375
c1cc(c2c(c1F)non2)S(=O)(=O)N A629400
CC(C)(C)OC(=O)NCCc1ccc(cc1)S(=O)(=O)N A629480
CCOC(=O)NCCc1ccc(cc1)S(=O)(=O)N A629490
c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@H](C3)C(=O)N(CC4=O)N)c5ccc6c(c5)OCO6 A629550
CCCCCCCCC/C=C/[C@H]([C@H](CO)N)O A629650
c1ccc2c(c1)c(c3c(n2)CCCC3)N.Cl A629700
c1ccc2c(c1)c(c3c(n2)CCCC3O)N.C(=C\C(=O)O)\C(=O)O A629900
Cc1cc2c(c3c1n(c(n3)N)C)nc(c(n2)C)C A630000
[2H]C([2H])([2H])n1c2c(cc3c(c2nc1N)nc(c(n3)C)C)C A630002
[13CH3]C([C@@]1(Cc2c(c(c3c(c2O)C(=O)[13c]4cccc[13c]4C3=O)O)[C@H](C1)O)N)O A630077
Cc1cc2c(c3c1n([14c](n3)N)C)nc(c(n2)C)C A630200
CC1(CC(CC([15NH]1)(C)C)N)C A630240
CC1(CC(CC(N1O)(C)C)N)C A630260
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)N)N(C)C A630300
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)N)N(C)C A630305
c1nnc(s1)N A630315
C1CSC(=N1)N A630325
C1C(N=C(S1)N)C(=O)O A630330
C1C([15N]=[13C](S1)[15NH2])C(=O)O A630332
c1ccc2c(c1)Nc3c(cc(s3)C=O)C(=N2)N.Cl A630335
c12c([nH]c(=O)s1)nc([nH]c2=O)N A630340
CC(C)(C)OC(=O)CO/N=C(/c1csc(n1)N)\C(=O)O A630355
c1(nnc(s1)S(=O)(=O)N)N A630360
CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)NC(=O)CC=O A630365
c1cc(sc1)c2cc([nH]n2)N A630370
CC(C)(C)OC(=O)C(C)(C)O/N=C(/c1csc(n1)N)\C(=O)O A630375
c1c(nc(s1)N)/C(=N/O)/C(=O)NCC(O)O A630380
CC1C2=C(C(=O)O1)NC(SC2)C(C(=O)O)NC(=O)/C(=N\O)/c3csc(n3)N A630385
CC1C2=C(C(=O)O1)NC(SC2)CNC(=O)/C(=N\O)/c3csc(n3)N A630390
CCOC(=O)/C(=N\O)/c1csc(n1)N A630395
C.CC1(C=C(C(N1O)(C)C)CSC[C@@H](C(=O)O)N)C A630400
c1ccc(c(c1)N)S A630425
c1c([nH]c(=S)[nH]c1=O)N.O A630455
c1c(=O)[nH]c(=S)[nH][13c]1N A630457
[13cH]1c(=O)[nH]c(=S)[nH][13c]1N A630458
CCCN1C(CCC1=O)CC(=O)NC(=S)N A630480
C1[C@H](N=C(S1)N)C(=O)O A630500
C1[C@H](N=C(S1)N)C(=O)O A630505
c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)NC(=O)OCc3cncs3 A630520
c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)N A630525
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2N)C#N)OC(=O)C)OC(=O)C A630660
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2N)C(=O)N)OC(=O)C)OC(=O)C A630670
c1nc(nc(n1)SCCS(=O)(=O)O)N A630680
[2H]C([2H])(C([2H])([2H])S(=O)(=O)O)Sc1ncnc(n1)N A630682
c1c([nH]nn1)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O A630685
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ccnc3N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C A630690
[2H]C([2H])([2H])Nc1cc(cnc1N)c2ccccc2 A630762
c1cc(c(cc1OC(F)(F)F)SC#N)N A630770
c1cc(c(cc1C(=O)O)C(F)(F)F)N A630780
c1c(cnc(n1)C(F)(F)F)N A630790
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)N A630800
c1(c(c(c(c(c1I)N)I)C(=O)O)I)C(=O)O A630810
c1(c(c(c(c(c1I)N)I)C(=O)Cl)I)C(=O)Cl A630815
C1CCC2(CC1)O[C@@H]3[C@H]4[C@@H]([C@H]([C@@H]3O2)I)NC(=O)O4 A630820
COc1cc(cc(c1OC)OC)Cc2cnc([nH]c2=O)N A630830
Cc1cc2c(nc1C)nc(n2C)N A630850
Cc1cc2c(c3c1n(c(n3)N)C)nc(cn2)C A631000
[2H]C([2H])([2H])n1c2c(cc3c(c2nc1N)nc(cn3)C)C A631002
Cc1cc2c(c3c1n([14c](n3)N)C)nc(cn2)C A631200
Cc1c(nc2c(n1)ccc3c2nc(n3C)N)C A631600
[2H]C([2H])([2H])n1c2ccc3c(c2nc1N)nc(c(n3)C)C A631602
Cc1c(nc2c(n1)ccc3c2n[14c](n3C)N)C A631800
[2H]C([2H])(CN)C([2H])([2H])OCCOCCOC([2H])([2H])C([2H])([2H])CNC(=O)CN(C)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 A631852
COC(=O)c1cccc(c1)OCCOCCOCCOCC[NH] A631910
C(COCCOCCOCCO)N A631975
CC(C)(C)OC(=O)N(C)CC(=O)NCCCOCCOCCOCCCN A631990
c1cc(c(cc1CC(C(=O)O)N)O)N A632020
C1(C(=O)NC(=NC1=O)N)NC(=O)N A632075
c1c(c(=O)[nH]c(=O)n1[C@H]2C([C@H]([C@H](O2)CO)O)O)N.Cl A632125
Cc1ccc(c(c1N)C)O A632430
Cc1cc(cc(c1N)C)O A632435
C1CNC(=O)[C@H]([C@@H]1O[C@H]2C([C@H]([C@@H](CO2)O)O)O)O A632440
c1ccc(cc1)C[C@H](C(=O)O)ON.Br A632450
c1ccc(cc1)C[C@@H](C(=O)O)ON.Br A632500
c1cc[n+](cc1)CC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)[O-] A632580
C=CC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O A632600
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I.Cl A632950
[2H]C([2H])(C([2H])([2H])Oc1c(cc(cc1I)C(=O)c2c3ccccc3oc2CCCC)I)N(CC)CC.Cl A632952
CCN1CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A633250
[2H]C([2H])([2H])C([2H])([2H])N1CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC A633252
CC[N+]1(CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC)[O-] A633265
[2H]C([2H])([2H])C([2H])([2H])[N+]1(CCCC1CNC(=O)c2cc(c(cc2OC)N)S(=O)(=O)CC)[O-] A633267
Cc1cc(c(cc1)/N=C/N(/C=N/c2c(cc(cc2)C)C)C)C A633320
CN(C)CCC=C1c2ccccc2CCc3c1cccc3.Cl A633350
[2H]C([2H])([2H])N(C)CCC=C1c2ccccc2CCc3c1cccc3.Cl A633352
[13CH3]N([13CH3])[13CH2]CC=C1c2ccccc2CCc3c1cccc3.Cl A633353
c1[nH]nc(n1)N A633380
[13cH]1[15nH][15n][13c](n1)N A633382
CC(C)c1ccc2c(c1)c(=O)c3cc(c(nc3o2)N)C(=O)O A633410
CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Cl)C(=O)OC)C)COCCN A633490
CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN A633491
[2H]C([2H])(C([2H])([2H])OCC1=C([C@@H](C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N A633492
[2H]C([2H])(C([2H])([2H])OCC1=C([C@H](C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N A633493
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN A633495
[2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N A633497
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN.c1ccc(cc1)S(=O)(=O)O A633500
[2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N.C(=C\C(=O)O)\C(=O)O A633502
CCOC(=O)C1=C(NC(=C([C@H]1c2ccccc2Cl)C(=O)OC)C)COCCN.c1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O A633505
CCOC(=O)C1=C(NC(=C([C@@H]1c2ccccc2Cl)C(=O)OC)C)COCCN.Cc1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O A633506
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCNC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O A633515
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCNC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O A633520
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OCC)COCCN)C A633550
CC1=C(C(C(=C(N1)COCCN)C(=O)OC)c2ccccc2Cl)C(=O)OC A633560
c1([nH]c(=O)[nH]c(=O)n1)N A633650
[13c]1([nH][13c](=O)[nH][13c](=O)n1)N A633652
c1([nH]c(nc(=O)n1)N)N A633660
[13c]1([nH][13c](n[13c](=O)n1)N)N.Cl A633662
[15NH3] A633802
c1c(onc1[O-])C(=O)N.[NH4+] A633840
[13CH3][13C](=O)[O-].[NH4+] A633902
c1cc(c2c(c1F)non2)S(=O)(=O)[O-].[NH4+] A634000
CCC1(C(=O)NC(=O)NC1=O)CCC(C)C A634100
[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CCC(C)C A634102
CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl A634200
[2H]C([2H])([2H])C([2H])([2H])N(Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl)C([2H])([2H])C([2H])([2H])[2H] A634202
CN(C)CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O A634205
[2H]C([2H])([2H])N(CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O)C([2H])([2H])[2H] A634207
C[N+](C)(CCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O)[O-] A634210
c1cc(c(cc1Nc2ccnc3c2ccc(c3)Cl)CN4CCCC4)O A634215
c1cc(c(cc1Nc2ccnc3c2ccc(c3)Cl)C[N+]4(CCCC4)[O-])O A634220
c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCNCC4 A634230
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Oc4c2cc(cc4)Cl)([2H])[2H])[2H] A634232
CC1(C(NC(S1)C2C(=O)NC(C(=O)N2)c3ccc(cc3)O)C(=O)O)C A634234
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)C(=O)O)C A634235
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N[13C](=O)[13CH](c3ccc(cc3)O)[15NH2])C(=O)O)C A634236
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H]([13c]3[13cH][13cH][13c]([13cH][13cH]3)O)N)C(=O)O)C A634237
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4OS(=O)(=O)C(F)(F)F)C)C A637555
C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C A637560
[2H]C1(C[C@@]2([C@H]3CC[C@@]4(C=CC[C@H]4[C@@H]3CC[C@H]2C(C1([2H])O)([2H])[2H])C)C)[2H] A637562
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=CC(=O)CC[C@]34C A637565
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(CC=CC4)C A637570
c1cc2c(cco2)c3c1ccc(=O)o3 A637575
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C1C([C@H]([C@@H](C(O1)CO)O)O)O A648980
C([C@@H]1[C@@H](C([C@H](O1)CO)O)O)O A649000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C A649010
C([C@H]1C([C@H]([C@@H](O1)COP(=O)([O-])[O-])O)O)O.[Ba+2] A649500
C.C([C@H]1[C@@H](C([C@@H](O1)COP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-] A649550
C1C2[C@H]([C@H](C([C@H](O1)O2)O)O)O A652500
C1C2[C@H]([13C@H]([13CH]([13C@H](O1)O2)O)O)O A652502
C([C@@H]1[C@H]([C@@H]([C@H](O1)C=O)O)O)O A653240
C([C@@H]1[C@H](C(C(O1)C=NO)O)O)O A653270
CC\1=CCCC(/C1=C/C=C(\C)/C=C/C=C(\C)/C=C)(C)C A654500
C1[C@@H]([C@H]([C@H](O1)[C@@H](CO)O)O)O A655525
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]3CO[C@H](O3)[C@H]([C@H]2O)O)OC(=O)C)OC(=O)C)OC(=O)C A656000
Cc1c2cccc(c2c(c3c1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O.Cl A656050
C1[C@@H]([C@H](CO1)O)O A656400
[2H]C1([C@@H]([C@H](C(O1)([2H])[2H])O)O)[2H] A656402
Cc1cn2c(nc1=O)O[C@H]3C[C@H]2O[C@@H]3CO A656500
[2H]C([2H])([2H])c1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3CO A656502
Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)O)O A658265
Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)O A658275
c1ccc(cc1)CO[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2OCc4ccccc4)OCc5ccccc5 A658750
CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7[C@]68CCN9[C@@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC A659750
[2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2CN(CCc3c1[nH]c4c3cccc4)CC(=C2)CC)c5cc6c(cc5OC)N(C7[C@]68CCN9[C@@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C A659752
CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7[C@]68CCN9[C@@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O A659760
C1C([C@@H]([C@H](O1)CO)O)O A659780
c1ccc(c(c1)Nc2nc(nc(n2)Cl)Cl)Cl A659800
[2H]c1c(c(c(c(c1[2H])Nc2nc(nc(n2)Cl)Cl)Cl)[2H])[2H] A659802
CCOC(=O)C1(CCN(CC1)CCc2ccc(cc2)N)c3ccccc3 A660750
[2H]C1(CC(CC(N1CCc2ccc(cc2)N)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H] A660752
[2H]c1c(c(c(c(c1[2H])[2H])N)[2H])[2H] A662477
c1ccc(cc1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O A662500
[2H]c1c(c(c(c(c1[2H])[2H])N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] A662502
c1ccc(cc1)NCC(=O)N A663300
c1ccc(cc1)CN2CCC(CC2)Nc3ccccc3 A663680
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)N)C)C)(F)F A663730
[2H]c1c(c(c(c(c1[2H])[2H])N/C=C(/C=C/C(=O)O)\C(=O)OC)[2H])[2H] A663752
c1ccc(cc1)NC(=O)CCC(=O)O A663950
[2H]c1c(c(c(c(c1[2H])[2H])NC(=O)CCC(=O)O)[2H])[2H] A663952
c1ccc(cc1)NC2=CC(=O)c3c(cccn3)C2=O A664500
COc1cc(cc(c1OC)OC)C/C(=C/Nc2ccccc2)/C#N A672500
CCCCCCCCCCCCC(CCCN(C)CCc1cccc(c1)OC)(C#N)c2cccc(c2)OC.Cl A672700
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CCCN(C)CCc1cccc(c1)OC)(C#N)c2cccc(c2)OC.Cl A672702
COc1ccc(cc1)C(=O)N2CCCC2=O A672800
COc1ccc(cc1)[13CH]=O A673202
CO[13c]1[13cH][13cH][13c]([13cH][13cH]1)C=O A673203
CO[13c]1[13cH][13cH][13cH][13cH][13cH]1 A673902
COc1ccc(cc1)C#N A673935
COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)C(=O)c4ccc(cc4)OC A673950
CCOCc1ccc(cc1)OC A673980
COc1ccc(cc1)c2cc/c(=N/N)/[nH]n2 A674000
COc1ccc(cc1)/C=C\2/c3ccccc3C(=O)O2 A674015
[2H]C([2H])([2H])C(c1ccc(cc1)OC)(C([2H])([2H])[2H])O A674025
COc1ccc(cc1)c2ccc(=O)[nH]n2 A674027
CC1[C@@H]([C@@H](C([C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(CO)O)O)I)O)O A674050
Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN.[N+](=O)(O)[O-] A675500
c1ccc2cc3ccccc3cc2c1 A678250
c1ccc2c[13c]3[13cH][13cH][13cH][13cH][13c]3cc2c1 A678400
c1ccc2cc3cc(ccc3cc2c1)CC(=O)ON4C(=O)CCC4=O A678402
c1ccc2c(c1)cc3ccccc3c2CC(=O)ON4C(=O)CCC4=O A678420
c1ccc2c(c1)cc3ccccc3c2CCC(=O)O A678425
CCOC(=O)CCc1c2ccccc2cc3c1cccc3 A678435
Cc1ccc(cc1)C(=O)CCc2c3ccccc3cc4c2cccc4 A678440
c1ccc2c(c1)cc3ccccc3c2CCC(=O)O A678450
CC(c1ccc2cc3ccccc3cc2c1)O A678500
CS(=O)(=O)SCc1ccc2cc3ccccc3cc2c1 A678510
CS(=O)(=O)SCc1c2ccccc2cc3c1cccc3 A678515
c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)O A678700
c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2 A679200
[2H]c1c(c(c(c(c1[2H])C(=O)O)N)[2H])[2H] A679222
c1cc2c(c(c1)O)C(=O)c3cccc(c3C2=O)O A679250
C[C@@H]1[C@H]([C@@H]([C@H](C(O1)O)OC)O)NC(=O)CC(C)(C)O A679300
CC(=C)C(=O)Oc1c2ccccc2cc3c1cccc3 A679750
C(C[C@@H](C(=O)O)N)CNC(=N)N.Cl A769500
C(C[C@@H](C(=O)O)[15NH2])C[15NH]C(=[15NH])[15NH2].Cl A769502
c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N A769550
[2H]c1c(c(c(c(c1[2H])[2H])C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)Cc3ccc(cc3)O)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)[2H])[2H] A769552
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4 A771000
[2H]C1(C(N(C(C(N1CCCCOc2ccc3c(c2)NC(=O)CC3)([2H])[2H])([2H])[2H])c4cccc(c4Cl)Cl)([2H])[2H])[2H] A771002
[2H]C([2H])(C([2H])([2H])C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2)C([2H])([2H])N3CCN(CC3)c4cccc(c4Cl)Cl A771003
c1cc(c(c(c1)Cl)Cl)[N+]2(CC[N+](CC2)(CCCCOc3ccc4c(c3)NC(=O)CC4)[O-])[O-] A771010
[2H]C1(C([N+](C(C([N+]1(CCCCOc2ccc3c(c2)NC(=O)CC3)[O-])([2H])[2H])([2H])[2H])(c4cccc(c4Cl)Cl)[O-])([2H])[2H])[2H] A771012
c1cc(c(c(c1)Cl)Cl)N2CC[N+](CC2)(CCCCOc3ccc4c(c3)NC(=O)CC4)[O-] A771015
[2H]C1(C([N+](C(C(N1c2cccc(c2Cl)Cl)([2H])[2H])([2H])[2H])(CCCCOc3ccc4c(c3)NC(=O)CC4)[O-])([2H])[2H])[2H] A771017
c1cc(c(c(c1)Cl)Cl)[N+]2(CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4)[O-] A771020
CC(C)C1(C(=C(N(C1=O)CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791775
CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](CC(=O)O2)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791780
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@H](CC(=O)O4)O)C(C)C)C(=O)Nc5ccccc5)[2H])[2H] A791782
CC(C)C12C(O1)(C3(C(N2CC[C@@H]4C[C@H](CC(=O)O4)O)(O3)c5ccc(cc5)F)c6ccccc6)C(=O)Nc7ccccc7 A791785
CC(=C)C(=O)OCc1c2ccccc2cc3c1cccc3 A684980
Cc1cc(=O)n(n1C)c2ccccc2 A685000
[2H]C([2H])([2H])n1c(cc(=O)n1c2ccccc2)C A697500
c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)C(F)(F)F)Nc4ccnc5c4ccc(c5)C(F)(F)F A697502
[2H]C1(C(N(C(C(N1CCOC(=O)c2ccccc2Nc3ccnc4c3ccc(c4)C(F)(F)F)([2H])[2H])([2H])[2H])c5cccc(c5)C(F)(F)F)([2H])[2H])[2H] A697800
[2H]C(C(NC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n2c3nc(nc(c3nc2)N)C#CC[C@H]4CC[C@H](CC4)C(=O)OC)([2H])[2H])([2H])[2H] A697802
[2H]C1(C(OC(C(N1C(=O)CCc2cc3c(s2)-n4c(nnc4CN=C3c5ccccc5Cl)C)([2H])[2H])([2H])[2H])([2H])[2H])[2H] A710502
c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CCCC4)C#N.Cl A726100
c1cc(c(nc1)NCc2cc[n+](cc2)[O-])C(=O)Nc3ccc(cc3)C4(CCCC4)C#N.Cl A726102
CC[C@@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)Cc3cn(c4c3cccc4)OC)CCCCCC(=O)CC A726150
c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O)O)O A726160
[2H]c1cc(cc(c1O)[2H])c2c(c(=O)c3c(c(c(c(c3o2)[2H])O)[2H])O)[2H] A726300
Cc1cccc(c1)/C=N/Nc2cc(nc(n2)OCCc3ccccn3)N4CCOCC4 A726500
[2H]C([2H])([2H])c1cccc(c1)/C=N/Nc2cc(nc(n2)OCCc3ccccn3)N4CCOCC4 A726502
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)OC)O.Cl A727100
[2H]C([2H])([2H])N1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)OC)O.Cl A727102
CC(=O)c1ccc(c(c1)OC)O A727200
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O.Cl A727500
[2H]C([2H])([2H])N1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O.Cl A727502
[2H]c1c(c2c3c(c1[2H])-c4c(c(c(c(c4O)O)[2H])[2H])C[C@H]3N(CC2)C)[2H].Cl A727503
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O A727510
CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)OS(=O)(=O)[O-])O.[K+] A727515
CN1C2C3OC3C1C[C@@H](C2)OC(=O)C(=C)c4ccccc4 A729000
CN1[C@@H]2C[C@H](C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)c4ccccc4.Cl A729005
Cc1c2cccc(c2c(c3c1C(OC3=O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C)O)O A729035
Cc1c2cccc(c2c(c3c1C(OC3=O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C)O)O A729036
CC[C@@]12CCCN3[C@@H]1c4c(c5ccccc5n4C(=C2)C(=O)O)CC3 A729250
[2H]c1c(c(c2c(c1[2H])c3c4n2C(=C[C@@]5([C@@H]4N(CCC5)CC3)CC)C(=O)O)[2H])[2H] A729252
c1c(cc(c(c1Cl)N=C2NCCN2)Cl)N.Cl A729400
CNC1[C@H](O[C@@H]2CC([C@H](OC2C1O)OC3[C@@H]([C@@H](C(CC3N)N)O)O)N)O[C@@H]4C([C@H]([C@@H](C(O4)CO)N)O)O A729600
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729785
C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729790
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729800
[2H]CC([2H])(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)[13CH2][13c]3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729802
C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O.C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccc(cc4)F A729810
CC(C)C1(C(=O)NC(=O)NC1=O)CC=C A735400
[2H]C([2H])([2H])C([2H])(C1(C(=O)NC(=O)NC1=O)CC=C)C([2H])([2H])[2H] A735402
c1cc(c(c(c1)Cl)Cn2cnc3c2ncnc3N)F A735500
c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H](C([C@H](O3)CO)O)O)F A763800
c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H](C([C@H](O2)CO)O)O A764000
c1c[15n]([13c](=O)[15nH]c1=O)[C@H]2[C@@H](C([C@H](O2)CO)O)O A764002
c1cn(c(=O)[nH]c1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O A764010
c1c[15n]([13c](=O)[15nH]c1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O A764012
c1ccc(cc1)C(=O)OC[C@@H]2C([C@H]([C@@H](O2)[15n]3ccc(=O)[15nH][13c]3=O)OC(=O)c4ccccc4)OC(=O)c5ccccc5 A764017
C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O A764175
C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O A764180
c1ccc(cc1)N/N=C/[C@H]([C@@H]([C@@H](CO)O)O)O A764200
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O A765000
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O A765001
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O A765002
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl A765020
[2H]C([2H])(C([2H])([2H])Cl)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC A765022
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1CC1 A765030
[2H]C1(C(C1([2H])[2H])NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[2H] A765032
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO A765050
[2H]C([2H])(C([2H])(C([2H])([2H])O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O A765052
COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] A765500
[2H]C([2H])([2H])Oc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-] A765502
CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3.Cl A766000
CN1CCC=C(C1)C(=O)O A766500
[2H]C1CC=C(C(N1C([2H])([2H])[2H])[2H])C(=O)O A767002
CCOC(=O)C1=CCCN(C1)C.Cl A767010
CN1CCC=C(C1)C(=O)OC.Br A767500
[2H]C1CC=C(C(N1C([2H])([2H])[2H])[2H])C(=O)OC.Br A767502
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NC[C@@H](C3)C A768990
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NC[C@H](C3)C A768995
C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C3)C A769000
C[C@H]1CCN([C@@H](C1)C(=O)O)C(=O)C(CCCNC(=N)N)NS(=O)(=O)c2cccc3c2NCC(C3)C A769010
[2H]C([2H])(C([2H])([2H])C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2)C([2H])([2H])N3CC[N+](CC3)(c4cccc(c4Cl)Cl)[O-] A771022
c1cc2c(cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])c(c1)O A771295
COc1cccc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] A771300
c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] A771305
c1cc(cc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O A771310
COc1cc(cc2c1cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-])O A771315
COc1ccc2c(c1O)cc(c3c2c4c(cc3C(=O)O)OCO4)[N+](=O)[O-] A771320
C/C(=C(\C#N)/C(=O)Nc1ccc(cc1)C(F)(F)F)/O A771726
[2H]c1c(c(c(c(c1C(F)(F)F)[2H])[2H])NC(=O)/C(=C(/C)\O)/C#N)[2H] A771727
Cc1cc(ccc1Oc2ccn3c(c2)ncn3)Nc4c5cc(ccc5ncn4)c6ccc(o6)CNCCS(=O)(=O)C A774000
[2H]C([2H])([2H])S(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)C)Oc5ccn6c(c5)ncn6 A774002
c1ccc(c(c1)N)[As](=O)(O)O A774100
c1cc(ccc1N)[As](=O)(O)O A774110
CCO[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)OC(CC3)(OO4)C)C)C A774295
CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)OC(CC3)(OO4)C)C)C A774300
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C A777400
[2H]C([2H])([2H])O[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C A777402
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC)C A777410
[2H]C([2H])([2H])O[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C A777412
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@@H]([C@@]23[C@H]1CCO3)OC(=O)C)OC)C A777415
C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C A777500
[2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](OC1=O)O[C@@](CC3)(OO4)C)C A777502
C[C@@H]1CC[C@H]2[C@@H](C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)C A777505
C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C A777550
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C A777800
[2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O[C@H]1OC(=O)CCC(=O)O)O[C@@](CC3)(OO4)C)C A777802
[2H]C([2H])(C(=O)O)C([2H])([2H])C(=O)O[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)C A777803
C[As+](C)(C)CC(=O)O.[Br-] A778500
[2H]C([2H])([2H])[As+](C)(C)CC(=O)O.[Br-] A778502
CCCCCC[C@@H](CCC)C(=O)O A779500
[2H]C([2H])([2H])CC[C@H](CCCCCC)C(=O)O A779502
CCCCCC[C@@H](CCC)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O A779505
CCCCCC[C@H](CCC)C(=O)O A779510
[2H]C([2H])([2H])CC[C@@H](CCCCCC)C(=O)O A779512
c1cc(c(cc1I)F)Nc2cnccc2C(=O)NC[C@@H](CO)O A780100
[2H]C([2H])(C([2H])(C([2H])([2H])O)O)NC(=O)c1ccncc1Nc2ccc(cc2F)I A780102
CC[C@H]1/C=C(\C[C@@H](C[C@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@H]4CC[C@@H]([C@H](C4)OC)O)/C)O)C)OC)OC)C)/C A781000
C(C([C@@H]1C(=C(C(=O)O1)O)O)O)O A786990
[13CH2]([13CH]([13C@@H]1[13C](=[13C]([13C](=O)O1)O)O)O)O A786992
CC1(OC[C@H](O1)[C@@H]2C(=C(C(=O)O2)O)O)C A787000
CN1C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl A788000
[2H][13C]([2H])([2H])N1C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl A788002
C[N+]1(C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O A788005
[2H][13C]([2H])([2H])[N+]1(C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O A788007
C[N+]1(C[C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C1)Cl)[O-] A788010
CN1CCc2ccc(cc2-c3c(ccc(c3O)OC)CC1CCc4ccccc4)OC A788500
[2H]c1c(c(c(c(c1[2H])[2H])CCC2Cc3ccc(c(c3-c4cc(ccc4CCN2C)OC)O)OC)[2H])[2H] A788502
COC(=O)NS(=O)(=O)c1ccc(cc1)N A788750
c1cc[n+](c(c1)/C=N\O)COC[n+]2ccc(cc2)C(=O)N A790000
[2H]c1c([n+](c(c(c1C(=O)N)[2H])[2H])COC[n+]2ccccc2/C=N/O)[2H] A790002
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N A790015
[2H]C([2H])([2H])OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)N A790017
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)O)N)[2H])[2H] A790018
C([C@H](C(=O)O)N)C(=O)O A790020
C([C@@H](C(=O)[O-])N)C(=O)[O-].Cl.[Ca+2] A790021
[2H][C@@](C(=O)O)(C([2H])([2H])C(=O)O)N A790023
CC1=C(C(CC(C1=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)C(CC2(C)C)O)C)\C)\C)/C)/C A790025
COc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F A790030
[2H]C([2H])([2H])Oc1ccc(cc1)CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(cc5)F A790032
CCN\1c2ccccc2C(/C1=C\C=C\C3=[N+](c4ccccc4C3(C)C)CC)(C)C.[I-] A790035
CC(C)(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC.OS(=O)(=O)[O] A790050
CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC A790051
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)O)NC(=O)[C@@H](C(C)(C)C)NC(=O)OC)[2H])[2H] A790052
CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC A790055
CC(C)NCC(COc1ccc(cc1)CC(=O)N)O A790075
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)CC(=O)N)O A790077
CC(C)NC[C@H](COc1ccc(cc1)CC(=O)N)O A790080
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@H](COc1ccc(cc1)CC(=O)N)O A790082
CC(C)NC[C@@H](COc1ccc(cc1)CC(=O)N)O A790085
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC[C@@H](COc1ccc(cc1)CC(=O)N)O A790087
Cc1ccccc1OC(CCNC)c2ccccc2.Cl A791390
Cc1ccccc1O[C@H](CCNC)c2ccccc2.Cl A791400
[2H]C([2H])([2H])NCC[C@H](c1ccccc1)Oc2ccccc2C.Cl A791402
[2H]C([2H])([2H])NCC[C@@H](c1ccccc1)Oc2ccccc2C.Cl A791404
Cc1ccccc1O[C@@H](CCNC)c2ccccc2.Cl A791405
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791690
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6 A791700
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)NCC[C@H](C[C@H](CC(=O)[O-])O)O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791705
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OCC=C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791710
CC(C)c1c(c(c(n1CC[C@@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791725
CC(C)c1c(c(c(n1CC[C@@H](C[C@@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791735
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791740
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791745
C.CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791750
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C)C(=O)Nc4ccccc4)[2H])[2H].[Na+] A791752
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791760
CC(C)C12C(O1)(C3(C(N2CC[C@H](C[C@H](CC(=O)[O-])O)O)(O3)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6 A791765
CC(C)c1c(c(c(n1CC[C@H]2C[C@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791770
CC(C)c1c(c(c(n1CC[C@H](C[C@@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] A791795
CC(C)C1(C(=C(N(C1=O)CC[C@H](C[C@H](CC(=O)OCC=C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791800
CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5 A791805
CCOC(=O)C[C@@H](C[C@@H](CCn1c(c(c(c1C(C)C)C(=O)Nc2ccccc2)c3ccccc3)c4ccc(cc4)F)O)O A791810
CC(C)C1(c2c3ccccc3c4cc(ccc4c2N(C1=O)CC[C@H](C[C@H](CC(=O)[O-])O)O)F)C(=O)Nc5ccccc5 A791815
CC(C)C1(C2(C(O2)(C3(N1CCC(O3)CC(CC(=O)[O-])O)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6)O.[Na+] A791820
CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)[O-])O)(c4ccc(cc4)F)O)c5ccccc5)C(=O)Nc6ccccc6.[Na+] A791825
CC(C)C1(C2(C(O2)(C3(N1CCC(O3)CC(CC(=O)OCC=C)O)c4ccc(cc4)F)c5ccccc5)C(=O)Nc6ccccc6)O A791830
CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)OCC=C)O)(c4ccc(cc4)F)O)c5ccccc5)C(=O)Nc6ccccc6 A791835
CC(C)c1c(c(c(n1CC[C@H](C[C@@H](CC(=O)OC(C)(C)C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791840
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OC)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 A791845
CC(C)CC1(C(O1)(c2ccccc2)C(=O)c3ccc(cc3)F)C(=O)Nc4ccccc4 A791850
CC(C)C(=O)C1(C(O1)(c2ccccc2)C(=O)c3ccc(cc3)F)C(=O)Nc4ccccc4 A791855
CC(C)C1(C2(C(O2)(C(O1)(c3ccc(cc3)F)O)c4ccccc4)C(=O)Nc5ccccc5)O A791860
[2H][C@]1(C(C[C@@H](CC1([2H])[2H])c2ccc(cc2)Cl)([2H])[2H])C3=C(C(=O)c4c(cccc4)C3=O)O A793452
c1cc2c(cc1)C(=O)C(=C(C2=O)C3CC[C@@H](CC3)c4ccc(cc4)Cl)O A793500
[2H][C@]1(C(C[C@H](CC1([2H])[2H])c2ccc(cc2)Cl)([2H])[2H])C3=C(C(=O)c4c(cccc4)C3=O)O A793502
C=C(c1ccccc1)C(=O)O A793850
C[N+]1(CCc2cc(c(cc2C1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5C4Cc6ccc(c(c6)OC)OC)OC)OC)C.c1ccc(cc1)S(=O)(=O)[O-] A794500
CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] A794530
c1cc(c(cc1/C=C\2/C(=O)c3c(cc(cc3O2)O)O)O)O A794550
CCNc1nc(nc(n1)Cl)NC(C)C A794600
[2H]C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)NC(C)C A794602
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc([nH]n3)CC(=O)Nc4cccc(c4)F)CCOP(=O)(O)O A808100
C[C@H]1COCCN1c2c3ccc(nc3nc(n2)N4CCOC[C@@H]4C)c5ccc(c(c5)CO)OC A808130
CCNc1nc(nc(n1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)NC(C)C A794610
CCNc1nc(nc(n1)SC[C@H](C(=O)O)NC(=O)C)NC(C)C.Cl A794615
C.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.OS(=O)(=O)O A794625
[2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)O[C@H]2CC3N(C(C2)CC3)C)CO)[2H])[2H] A794627
Cc1cc2c(c(c1O)OC)C(=O)c3c(cc(c(c3O)OC)O)C2=O A794640
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4 A794650
[2H]C([2H])([2H])NC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4 A794652
COc1ccc(cc1Cl)CNc2c(cnc(n2)N3CCC[C@H]3CO)C(=O)NCc4ncccn4 A794670
COc1ccc(cc1Cl)CNc2c(cnc(n2)[15N]3[13CH2][13CH2][13CH2][13CH]3[13CH2]O)C(=O)NCc4ncccn4 A794672
CC(c1ccc(cc1C(=O)c2ccccc2)Cl)C(=O)CNC(=O)[C@H](CCCCN)N A794685
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)c2cc(ccc2C(C)C(=O)CNC(=O)[C@H](CCCCN)N)Cl)[2H])[2H] A794687
CC(C)(C)c1ccc(cc1)C(=O)CC(=O)c2ccc(cc2)OC A794690
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO A794695
c1cc(c(cc1)Cl)CNC[C@H]2CC[C@@H](CC2)CNCc3c(cccc3)Cl A794700
Cc1ccc(nc1)S(=O)(=O)Nc2c(c(nc(n2)c3ccncc3)OC)Oc4ccccc4OC A794710
[2H]C([2H])([2H])Oc1c(c(nc(n1)c2ccncc2)NS(=O)(=O)c3ccc(cn3)C)Oc4ccccc4OC A794712
CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+] A794750
C1C[C@H](N2C[C@H]1N(C2=O)OS(=O)(=O)[O-])C(=O)N.[Na+] A794850
[2H]C1([C@H]2CN([C@@H](C1([2H])[2H])C(=O)N)C(=O)N2OS(=O)(=O)[O-])[2H].[Na+] A794852
C[C@@H]1CC[C@H]2[C@H](C(=O)N[C@H]3C24[C@H]1CCC(O3)(OO4)C)C A794900
C1[C@@H]2C=C[C@H]1NC2=O A795200
C1[C@@H]2C=C[C@@H]1NC2=O A795205
CC(C)(C)OC(=O)N[C@H]1[C@H]2[C@@H]1CNC2 A795230
C1C[C@@H]2C[C@@H](N[C@@H]2C1)C(=O)O A795260
c1ccc(cc1)COC(=O)[C@H]2C[C@H]3CCC[C@H]3N2 A795270
c1ccc(cc1)COC(=O)[C@@H]2C[C@@H]3CCC[C@@H]3N2.Cl A795273
c1ccc(cc1)COC(=O)[C@@H]2C[C@H]3CCC[C@H]3N2 A795275
c1ccc(cc1)COC(=O)[C@H]2C[C@H]3CCC[C@H]3N2.Cl A795280
c1ccc(cc1)COC(=O)[C@@H]2C[C@H]3CCC[C@H]3N2.c1ccc(cc1)S(=O)(=O)[O-] A795285
c1ccc2c(c1)CCC[C@@H]2C(=O)N[C@@H]3CN4CCC3CC4 A795300
[2H][C@]1(CN2CCC1CC2)NC(=O)[C@H]3CCCc4c3cccc4 A795302
C[C@@H]1[C@@H]([C@]2([C@@H](OCN2C1=O)C(C)C)CO[Si](C)(C)C(C)(C)C)O A795450
C[C@@H]1[C@@H]([C@@]2([C@@H](OCN2C1=O)C(C)C)C(=O)O)O A795575
c1nc(nc(=O)n1[C@H]2C([C@H]([C@H](O2)CO)O)O)N A796000
c1[15n]c([15n]c(=O)[15n]1[C@H]2C([C@H]([C@H](O2)CO)O)O)[15NH2] A796002
c1nc(nc(=O)n1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O)O)O)N A796015
c1nc(nc(=O)n1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)O)O)O)N A796020
c1[15n]c([15n]c(=O)[15n]1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)O)O)O)[15NH2] A796022
c1[nH]c(=O)nc(n1)N A796375
c1[15nH]c(=O)[15n]c([15n]1)[15NH2] A796377
c1cn2c([nH]1)nc(nc2=O)N A796900
c1nc(nc(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)N A796950
c1[15n]c([15n]c(=O)[15n]1[C@H]2C[C@H]([C@H](O2)CO)O)[15NH2] A796952
c1nc(nc(=O)n1[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)N A796960
c1[15n]c([15n]c(=O)[15n]1[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O)[15NH2] A796962
C1[C@H]([C@H](O[C@H]1n2c(=O)[nH]c(nc2=O)N)CO)O A797050
CC(Cc1cccnc1)N(C)CC#C A797200
C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]14CO[C@@]([C@H]4[C@]([C@@H]3O)(C)[C@@]56[C@@H]7C[C@H]([C@]5(O6)C)[C@@]8(C=CO[C@H]8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C A797300
CN(C)Cc1c[nH]c2c1cccn2 A797500
CC[C@@H]1[C@@]([C@@H]([C@H](NC(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O A797800
C[C@@H]1[C@@H]([C@@]2([C@@H](OCN2C1=O)C(C)C)C=O)O A798200
C[C@@H]1[C@@H]([C@]2([C@@H](OCN2C1=O)C(C)C)CO)O A798800
c1cn(cn1)C(=O)/C=C/NCC(=O)CCO A798900
[2H]c1c(n(c(n1)[2H])C(=O)/C=C/NCC(=O)CCO)[2H] A798902
c1cc-2cnnc2[nH]c1 A800260
c1cc2cc[nH]c2nc1 A800275
c1cc2c(c[nH]c2nc1)C(C(=O)O)N A800500
COC(=O)C(c1c[nH]c2c1cccn2)N.Cl A800520
c1cc2c(nc1)-c3c(c4cc(ccc4[nH]3)Br)CC(=O)N2 A800950
COP(=O)(OC)SCn1c2c(cc(cn2)Cl)oc1=O A801300
[2H]C([2H])([2H])OP(=O)(OC([2H])([2H])[2H])SCn1c2c(cc(cn2)Cl)oc1=O A801302
CCC1(CC(C2(C(CCC3(C2C(=O)CC3)C(C1O)C)C)C)OC(=O)CSc4[nH]c(nn4)N)C A801530
c1cc2c(nc1)NC(=O)C2 A801725
C(CNC(=O)/C=C\C(=O)O)C(=O)O A801825
c1ccc(cc1)[C@H]2COC(=O)[C@@H]3N2[C@@H]4CCC[C@@H]4C3 A802050
c1ccnc(c1)N2CCN(CC2)CCCC(=O)c3ccc(cc3)F A802200
CN1C(=O)COc2c1cc(cc2C(=O)NC3[C@H]4CC[N@@](C3)CC4)Cl.Cl A802800
[2H]C(N1C(=O)COc2c1cc(cc2C(=O)NC3[C@H]4CC[N@@](C3)CC4)Cl)([2H])[2H].Cl A802802
[2H][13C](N1C(=O)COc2c1cc(cc2C(=O)NC3[C@H]4CC[N@@](C3)CC4)Cl)([2H])[2H].Cl A802803
CN1CCC(=C2c3ccccc3CCc4c2nccc4)CC1 A802950
Cn1cnc(c1Sc2c3c(nc[nH]3)ncn2)[N+](=O)[O-] A803350
[13CH3]n1[13cH]n[13c]([13c]1Sc2c3c(nc[nH]3)ncn2)[N+](=O)[O-] A803352
c1cc2c(c[nH]c2nc1)CC(C(=O)O)N.O A803575
CCOC(=O)CCCCCCCC(=O)O A808150
CN1CCC[C@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl.Cl A808245
CN1CCC[C@@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl.Cl A808246
CN1CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl.Cl A808250
[2H][13C]([2H])([2H])N1CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl A808252
C[N+]1(CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808260
c1ccc(cc1)C(c2ccccc2)N3CCC3 B194850
c1ccc(cc1)C(c2ccccc2)N3CC(=O)C3 B194860
c1ccc(cc1)C(c2ccccc2)N3CCC3C(=O)O B194870
c1ccc(cc1)C(c2ccccc2)N3CC(C3)C(=O)O B194875
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@H](C6)OC(=O)c7ccccc7)C)C)C)OC1 B208120
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O B208125
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O B208127
CC(C)OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c3ccccc3 B208130
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC(C)C B208132
Cc1nnc(n1c2ccc(cc2C(=O)c3ccccc3)Cl)C=O B208135
CCOC(=O)C[C@]1(C(=O)O[C@@H](N1C(=O)c2ccccc2)c3ccccc3)C B208140
CCOC(=O)C[C@@]1(C(=O)O[C@@H](N1C(=O)c2ccccc2)c3ccccc3)C B208145
c1ccc(cc1)C(=O)n2ccnc2 B208150
c1ccc(cc1)C(=O)c2cccc3c2NC(=O)C3 B208155
c1ccc(cc1)C(=O)N[C@H]2CCC[C@H](C2)OC(=O)c3ccccc3 B208165
CN1[C@@H](C[C@H](C1=O)OC(=O)c2ccccc2)c3ccc[n+](c3)[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OC)O)O)O.[Cl-] B208170
CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)[n+]2cccc(c2)[C@@H]3C[C@H](C(=O)N3C)OC(=O)c4ccccc4)C(=O)OC)OC(=O)C.[Br-] B208175
CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)NC(=O)c2ccccc2)O B208180
CCOC(=O)[C@@H]([C@H](c1ccc(cc1)S(=O)(=O)C)O)NC(=O)c2ccccc2 B208190
c1ccc(cc1)C(=O)N=C=S B208195
[2H]C([2H])([2H])C(C(=O)NCC(=O)OCC)SC(=O)c1ccccc1 B208202
C[C@H](CCCC(C)COC(c1ccccc1)(c2ccccc2)c3ccccc3)[C@H]4C(C[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(CC[C@H](C7)OC(=O)c8ccccc8)C)C)OS(=O)(=O)C B208205
COc1ccc2cc(c(=O)oc2c1)C(=O)c3ccccc3 B208210
Cc1ccc(cc1)Sc2ccc(cc2)C(=O)c3ccccc3 B208215
C[C@H]1C(=O)O[C@@H](N1C(=O)c2ccccc2)c3ccccc3 B208220
C[C@@H]1C(=O)O[C@H](N1C(=O)c2ccccc2)c3ccccc3 B208225
[2H][13C]([2H])([2H])[N+]1(CCCC(CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808262
C[N+]1(CCC[C@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808265
C[N+]1(CCC[C@@H](CC1)n2c(=O)c3ccccc3c(n2)Cc4ccc(cc4)Cl)[O-] A808270
CC1=C(C(C(=C(N1)N)C(=O)OC2CN(C2)C(c3ccccc3)c4ccccc4)c5cccc(c5)[N+](=O)[O-])C(=O)OC(C)C A808500
C1CC(=O)CCNC1.Cl A809755
C1CN[C@H]1C(=O)O A812480
C1CNC1C(=O)O A812490
C1CN[C@H]1C(=O)O A812500
C1C(CN1)C(=O)O A812520
CC(C)(C)OC(=O)[C@@H]1CCN1 A812560
C1CNC1.Cl A813000
C1C(CN1)O.Cl A813200
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N=[N+]=[N-])COC(=O)C)OC(=O)C)OC(=O)C A817500
CC(=O)c1ccc(cc1)N=[N+]=[N-] A821250
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=[N+]=[N-])N A821960
c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N A821980
c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[NH4+].[NH4+].[NH4+].[NH4+] A822000
[13cH]1[13cH][13c]([13cH][13cH][13c]1C(=O)O)N=[N+]=[N-] A822052
c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)CN=[N+]=[N-])[N+](=O)[O-] A822100
CC(C)(C)OC(=O)N1C[C@@H]([C@H]([C@H]2[C@H]1COC(O2)c3ccccc3)O)N=[N+]=[N-] A822240
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C A822400
C(CCO)CN=[N+]=[N-] A822530
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C A822550
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C A822575
CC1(O[C@@H]2[C@H](O1)C(=O)O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])C A822620
c1ccc(cc1)OC(=O)OC(CN=[N+]=[N-])CCl A822800
[2H]c1c(c(c(c(c1[2H])C2(CCCCC2=O)N=[N+]=[N-])Cl)[2H])[2H] A822832
C(C(CCl)O)N=[N+]=[N-] A822850
c1c(c(c(=O)[nH]n1)Cl)N=[N+]=[N-] A822950
C(CCCCCO)CCCCN=[N+]=[N-] A823075
C([C@H]([C@H]1[C@@H]([C@H](C(O1)O)O)O)N=[N+]=[N-])O A823150
CC(=O)O[C@@H]1[C@@H](CO[C@@]2([C@H]1OC(=O)C)COC(O2)(C)C)N=[N+]=[N-] A823345
CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)N=[N+]=[N-])C A824000
C1[C@H]([C@H]([C@@H](C(O1)(CO)O)O)O)N=[N+]=[N-] A824200
[C@@H]1([C@H]([C@H](OC([C@@H]1N=[N+]=[N-])O)C(=O)O)O)O A824300
CC(=O)O[C@H]1[C@H]([C@H](OC([C@@H]1N=[N+]=[N-])OC(=O)C)C(=O)OC)OC(=O)C A824310
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)N=[N+]=[N-])C(=O)OC)OC(=O)C A824315
CC1(O[C@H]2[C@@H](C(O[C@@H]2O1)(CO)CO)N=[N+]=[N-])C A824400
CC1(OC[C@]2(O1)[C@H]([C@@H]([C@@H](CO2)N=[N+]=[N-])O)O)C A824525
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CN=[N+]=[N-])O)O)C A824575
CC1(O[C@H]2[C@@H]([C@@H](O[C@]2(O1)CO)CN=[N+]=[N-])O)C A824700
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C)N=[N+]=[N-])OC(=O)C)OC(=O)C A824850
CC(C)(C)C(=O)OC[C@H]([C@H]1[C@@H]([C@H](C(O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N=[N+]=[N-] A824950
Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] A825000
[2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-] A825002
Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)N=[N+]=[N-].[Na+] A825050
[2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)N=[N+]=[N-].[Na+] A825052
Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)[O-])N=[N+]=[N-].[Na+] A825070
Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-] A825090
Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)N=[N+]=[N-] A825095
CC(Cc1ccc(cc1)N=[N+]=[N-])N(C)CC#C A827250
[2H]C([2H])([2H])N(CC#C)C(C)Cc1ccc(cc1)N=[N+]=[N-] A827252
C([C@H]([C@@H](CCl)O)N=[N+]=[N-])Cl A844100
[2H][C@]1(CC([C@](c2c1cccc2)([2H])N=[N+]=[N-])([2H])[2H])c3ccc(c(c3)Cl)Cl A844502
CCC(CC)OC1[C@@H]([C@H](CC(C1N=[N+]=[N-])C(=O)OCC)N)NC(=O)C A844600
[2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)N=[N+]=[N-])C([2H])([2H])[2H] A844887
Cc1cc2c(cccn2)c3c1n(c(n3)N=[N+]=[N-])C A845000
[2H]C([2H])([2H])n1c2c(cc3c(c2nc1N=[N+]=[N-])cccn3)C A845002
Cc1cnc2ccc3c(c2n1)nc(n3C)N=[N+]=[N-] A847500
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])OC(=O)C(C)(C)C A847625
CS(=O)(=O)SCCCCCCCCCCCCN=[N+]=[N-] A848125
C(COCCOCCO)N=[N+]=[N-] A848550
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN=[N+]=[N-] A848950
[2H]C([2H])(C([2H])([2H])OCC1=C(C(C(=C(N1)C)C(=O)OC)c2ccccc2Cl)C(=O)OCC)N=[N+]=[N-] A848952
C1COC(O1)CCN=[N+]=[N-] A848965
CCC(CC)O[C@H]1C=C(C[C@@H]([C@H]1N=[N+]=[N-])OS(=O)(=O)C)C(=O)OCC.CCC(CC)O[C@H]1C=C(C[C@@H]([C@H]1OS(=O)(=O)C)N=[N+]=[N-])C(=O)OCC A848985
Cc1c(c(n(n1)C)NC(=O)CN=[N+]=[N-])C(=O)c2ccccc2F A849020
C(COCCOCCOCCOCCOCCO)N=[N+]=[N-] A850020
C[C@@](CO)(C(=O)O)N=[N+]=[N-] A850090
C[C@](CN=[N+]=[N-])(C(=O)OC)O A850110
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)nc(nc2I)N=[N+]=[N-] A850250
CC(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N=[N+]=[N-] A850325
[2H]C([2H])([2H])C(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)N=[N+]=[N-] A850327
Cn1c2ccc3c(c2nc1N=[N+]=[N-])cccn3 A852500
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(CN=[N+]=[N-])COc2cccc3c2cccc3)C(=O)OC)OC(=O)C A853000
Cn1c2cc(cnc2nc1N=[N+]=[N-])c3ccccc3 A854500
CS(=O)(=O)OCCCCN=[N+]=[N-] A854520
CS(=O)CCCCN=[N+]=[N-] A854530
CC(C)[C@H](C(=O)O)N=[N+]=[N-].C1CCC(CC1)N A854700
c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCS(=O)(=O)[O-].[Na+] A856000
c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN=[N+]=[N-])O A856295
c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN=[N+]=[N-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O A856300
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CN=[N+]=[N-])COc2cccc3c2c4ccccc4[nH]3)OC(=O)c5ccccc5)OC(=O)c6ccccc6)OC(=O)c7ccccc7 A856305
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)N=[N+]=[N-] A856350
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)N=[N+]=[N-])O)O A856500
c1cc(c(cc1N=[N+]=[N-])O)C(=O)O A857925
c1cc(c(cc1N=[N+]=[N-])O)C(=O)NC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O A858000
c1cc(c(cc1N=[N+]=[N-])O)C(=O)NCCSSCCC(=O)O A858950
c1ccnc(c1)SSCCNC(=O)c2ccc(cc2O)N=[N+]=[N-] A859000
c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)N A860750
c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)C(=O)N A861925
CS(=O)(=O)SC[C@@H](C(=O)O)NC(=O)c1c(c(c(c(c1F)F)N=[N+]=[N-])F)F A862000
c1(c(c(c(c(c1F)F)N=[N+]=[N-])F)F)C(=O)O A862010
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)O)NC(=O)CCCCCNC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F)NC(=O)N2 A862160
CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)CCCCCNC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F A862185
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)CCCCCNC(=O)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)NC(=O)N2.[Na+] A862210
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)O)NC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F)NC(=O)N2 A862240
CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)c3c(c(c(c(c3F)F)N=[N+]=[N-])F)F A862275
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)c4c(c(c(c(c4F)F)N=[N+]=[N-])F)F)NC(=O)N2.[Na+] A862325
Cc1cc2c(c3c1n(c(n3)N=[N+]=[N-])C)nc(c(n2)C)C A862500
[2H]C([2H])([2H])n1c2c(cc3c(c2nc1N=[N+]=[N-])nc(c(n3)C)C)C A862502
CC1(CC(CC(N1O)(C)C)N=[N+]=[N-])C A862600
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C A866500
[2H]C([2H])([2H])n1c2c(cc3c(c2nc1N=[N+]=[N-])nc(cn3)C)C A867502
Cc1c(nc2c(n1)ccc3c2nc(n3C)N=[N+]=[N-])C A869500
[2H]C([2H])([2H])n1c2ccc3c(c2nc1N=[N+]=[N-])nc(c(n3)C)C A869502
CC1(O[C@H]2[C@H](OC([C@H]2O1)(C)O)CN=[N+]=[N-])C A884560
CC1(O[C@H]2[C@H](OC(=O)[C@H]2O1)CN=[N+]=[N-])C A884575
C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)OC)OC(=O)C)N=[N+]=[N-] A884600
C(COCCOCCOCCO)N=[N+]=[N-] A885250
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C A919935
CCC(CC)OC1C=C(C[C@@H]([C@H]1NC(=O)C)N=[N+]=[N-])C(=O)OCC A919960
[2H]C([2H])([2H])C(=O)N[C@@H]1[C@H](CC(=CC1OC(CC)CC)C(=O)OCC)N=[N+]=[N-] A919962
c1cc(ccc1C(=O)CBr)N=[N+]=[N-] A920000
c1cc(ccc1[14C](=O)CBr)N=[N+]=[N-] A920200
c1ccc(cc1)COC[C@@H]2[C@H](C[C@@H]([C@@H]2O)N=[N+]=[N-])OCc3ccccc3 A922750
c1ccc(cc1)[P+](CCCN=[N+]=[N-])(c2ccccc2)c3ccccc3.[Br-] A922790
Cc1ccccc1O[C@H](CCN=[N+]=[N-])c2ccccc2 A923000
[2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])O[C@H](CCN=[N+]=[N-])c2ccccc2)[2H])[2H] A923002
c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)N=[N+]=[N-] A925000
CCCCCCCCCCCCC/C=C/[C@H]([C@@H](COP(=O)([O-])OCC[N+](C)(C)C)N=[N+]=[N-])O A925050
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C(C)(C)C)N=[N+]=[N-])O A925080
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N=[N+]=[N-])O A926500
c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N=[N+]=[N-] A926800
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]c(=O)on5)C(=O)O A926900
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]c(=O)on5)C(=O)O A926902
[2H]c1c(c(c(c(c1Cn2c3c(cccc3nc2OCC)C(=O)O)[2H])[2H])c4ccccc4c5[nH]c(=O)on5)[2H] A926903
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]c(=O)on5)C(=O)OC A926907
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O A927000
[2H]C([2H])([2H])N1C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C A927002
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[N+](C)(C)[O-])O)(C)O)C)C)C)O)(C)O A927015
c1cc(ccc1C(=O)NC(CO[C@@H]2[C@H](OC([C@H]([C@H]2O)O)O)CO)CO[C@@H]3[C@H](OC([C@H]([C@H]3O)O)O)CO)C4(N=N4)C(F)(F)F A927500
c1cc(ccc1C(=O)NC(CO[C@@H]2[C@@H]3CO[C@@H](O3)[C@H]([C@H]2O)O)CO[C@@H]4[C@H]5COC(O5)[C@H]([C@H]4O)O)C6(N=N6)C(F)(F)F A927505
c1ccc(cc1)/N=N/c2ccccc2 A931000
CC(CCC(=O)O)(C#N)/N=N/C(C)(CCC(=O)O)C#N A932500
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2C4(C[C@H]5[C@@]3(CC[C@H](C5)O)C)N=N4)O)C A935000
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3C2C4(C[C@H]5[C@@]3(CC[C@H](C5)O)C)N=N4)O)C.[Na+] A945000
c1ccc(c(c1)/C=N/c2cc(cc3c2c(cc(c3)S(=O)(=O)O)O)S(=O)(=O)O)O A965000
c1cnc([nH]1)[N+](=O)[O-] A965100
Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)/N=[N+](/c3ccc(cc3)S(=O)(=O)Nc4cc(on4)C)\[O-] A965130
CO/C=C(\c1ccccc1Oc2cc(ncn2)Oc3ccccc3C#N)/C(=O)OC A965150
[2H]c1c(c(c(c(c1[2H])C#N)Oc2cc(ncn2)Oc3ccccc3/C(=C\OC)/C(=O)OC)[2H])[2H] A965152
C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N A965200
CC(C(C(=O)O)NC(=O)/C(=N\OC(C)(C)C(=O)N)/c1csc(n1)N)NS(=O)(=O)O A965210
c1cc(ccc1c2cnc(o2)/C=N/N3CC(=O)NC3=O)Br.[NaH] A965300
c1cc(ccc1c2cnc(o2)/C=N/N3[13CH2][13C](=O)N[13C]3=O)Br.[NaH] A965302
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)OC(=O)C B101000
CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)C)OC(=O)C B101010
CC1=C2[C@@H]([C@@H]([C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C B101030
CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CN=C(S2)[C@H](C(C)CC)N)CC(=O)N)CC(=O)O)Cc3c[nH]cn3)Cc4ccccc4 B106500
CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C2CN=C(S2)[C@H](C(C)CC)N)CC(=O)N)CC(=O)O)Cc3c[nH]cn3)Cc4ccccc4 B106502
CCC(C)[C@H]1C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCCCC[C@@H](C(=O)N[C@@H](C(=O)N1)CCCN)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)c2cnc(s2)C(=O)C(C)CC)CC(=O)N)CC(=O)O)Cc3c[nH]cn3)Cc4ccccc4 B106530
c1cc(ccc1[C@@H](CC(=O)O)CN)Cl B107990
c1cc(ccc1[C@H](CC(=O)O)CN)Cl B107995
c1cc(ccc1C(CC(=O)O)CN)Cl B108000
[2H]c1c(c(c(c(c1C(CC(=O)O)CN)[2H])[2H])Cl)[2H] B108002
Cc1ccc(cc1Nc2nccc(n2)c3cncnc3)NC(=O)c4ccc(c(c4)C(F)(F)F)CN5CC[C@H](C5)N(C)C B109050
c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O.O B115250
c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)O[C@@H]3CCCNC[C@H]3NC(=O)c4ccc(cc4)O)O)C(=O)O B115500
CNC1CCCN(C1)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F B116000
c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2ccc(c(c2)C(=O)O)O B116300
[2H]c1c(c(c(c(c1/N=N/c2ccc(cc2)C(=O)NCCC(=O)O)[2H])C(=O)O)O)[2H] B116302
c1cc(c(c(c1)/N=N/c2ccc(cc2)C(=O)NCCC(=O)O)O)C(=O)O B116310
CC(C)OC(=O)CCNC(=O)c1ccc(cc1)/N=N/c2ccc(c(c2)C(=O)O)O B116315
CC(C)(C)NCC(c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl B117500
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C)O.Cl B117502
CC(C)(C)NCC(c1cc(cc(c1)OC(=O)N(C)C)O)O.Cl B117515
CCCCNCC(c1ccc(cc1)O)O.OS(=O)(=O)O B117900
CCC1(C(=O)NC(=O)NC1=O)CC B118500
[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CC B118502
C1C(=O)NC(=O)NC1=O B118650
C1C(=O)[15NH][13C](=O)[15NH]C1=O B118652
[13C](=O)([O-])[O-].[Ba+2] B118672
CC1=C([C@@H](C(=C(N1)C)C(=O)O[C@H]2CCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl B118700
[2H]C1(C[C@@H](C(N1Cc2ccccc2)([2H])[2H])OC(=O)C3=C(NC(=C([C@@H]3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)C)[2H].Cl B118702
Cc1c2c(=O)nc([nH]n2c(n1)[C@@H](CCCc3ccccc3)[C@@H](C)O)Cc4ccc(c(c4)OC)OC B119000
CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)Cc2ccccc2)C)C(C)C)Cc3ccccc3)C)C(C)C)Cc4ccccc4)C B119230
c1ccc(cc1)CNC(=O)CCCl B119400
Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCCl.[Cl-] B119500
CCN(CC)CCOC(=O)C(c1ccccc1)(c2ccccc2)O.Cl B119600
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O.Cl B119750
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O)[2H])[2H] B119752
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B119755
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)[2H])[2H] B119756
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)OC(C)(C)C)[2H])[2H] B119757
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)OCC)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)OC(C)(C)C)[2H])[2H] B119758
c1ccc(cc1)CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O B119760
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O)[2H])[2H] B119762
c1ccc(cc1)CC[C@@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O.C(=O)(C(F)(F)F)O B119765
c1ccc(cc1)CC[C@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O.C(=O)(C(F)(F)F)O B119766
c1ccc(cc1)CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B119770
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)[2H])[2H] B119772
c1ccc(cc1)CC[C@H](C(=O)O)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B119775
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O[C@H]4C(C([C@@H](C(O4)C(=O)OCC=C)O)O)O B119780
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H]2CCc3ccccc3N(C2=O)CC(=O)O B119785
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)OCC)N[C@@H]2CCc3ccccc3N(C2=O)CC(=O)O)[2H])[2H] B119787
c1ccc(cc1)CC[C@@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O[C@H]5C(C([C@@H](C(O5)C(=O)OCc6ccccc6)O)O)O B119790
c1ccc(cc1)CC[C@H](C(=O)OCc2ccccc2)N[C@H]3CCc4ccccc4N(C3=O)CC(=O)O[C@H]5C(C([C@@H](C(O5)C(=O)OCc6ccccc6)O)O)O B119795
CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N[C@@H](CCc3ccccc3)C(=O)OCc4ccccc4 B119800
CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N[C@H](CCc3ccccc3)C(=O)OCc4ccccc4 B119805
CCOC(=O)CN1c2ccccc2CC[C@@H](C1=O)N[C@@H](CCc3ccccc3)C(=O)OCC.Cl B119810
CC1(Oc2cccc(c2O1)OC(=O)NC)C B119900
CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] B120100
c1cc(c(c(c1CNNC(=O)C(CO)N)O)O)O.Cl B120500
[2H]C([2H])(C([2H])(C(=O)NNCc1ccc(c(c1O)O)O)N)O.Cl B120502
CC(C)N1C(=O)c2ccccc2NS1(=O)=O B120580
CC(C)N1C(=O)[13c]2[13cH][13cH][13cH][13cH][13c]2NS1(=O)=O B120582
CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)/C=C/S(=O)(=O)c4ccccc4 B120725
c1cc(ccc1c2ccc(cc2)N)N B121000
COC(=O)N1[C@H](Cc2c3ccccc3[nH]c2[C@@H]1c4ccc5c(c4)OCO5)C(=O)CCl B121700
c1ccc2c(c1)ccc3c2c4ccccc4cc3 B121900
[2H]c1cc2ccc3ccccc3c2c4c1c(c(c(c4[2H])[2H])[2H])[2H] B121902
CC(Cc1ccc(cc1)OC)(C(=O)O)NC(=O)c2ccccc2 B122000
C[C@@](Cc1ccc(cc1)OC)(C(=O)OC)NC(=O)c2ccccc2 B122100
C[C@@](Cc1ccc(cc1)OC)(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC3CCCCC3)NC(=O)c4ccccc4 B122200
c1ccc(cc1)C(=O)c2ccc[nH]2 B122800
CCOC(=O)C(c1ccc([nH]1)C(=O)c2ccccc2)(C(=O)OCC)C(=O)OCC B122820
c1ccc(c(c1)OCCN)OCCN B123480
c1ccc(c(c1)N(CC(=O)O)CC(=O)O)OCCOc2ccccc2N(CC(=O)O)CC(=O)O B123500
c1ccc(c(c1)N(CC(=O)[O-])CC(=O)[O-])OCCOc2ccccc2N(CC(=O)[O-])CC(=O)[O-].[Cs+].[Cs+].[Cs+].[Cs+] B123505
c1ccc(c(c1)N(CC(=O)[O-])CC(=O)[O-])OCCOc2ccccc2N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] B123510
CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)c1ccccc1OCCOc2ccccc2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C B123700
Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)[O-])CC(=O)[O-])CCCN)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] B124500
c1ccc(cc1)CNCCOc2ccccc2OCCNCc3ccccc3 B124670
CC(C)(C)OC(=O)N(CCOc1ccccc1OCCN(Cc2ccccc2)C(=O)OC(C)(C)C)Cc3ccccc3 B124675
CC(C)(C)OC(=O)NCCOc1ccccc1OCCNC(=O)OC(C)(C)C B124680
Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)OC)CC(=O)OC)C=O)N(CC(=O)OC)CC(=O)OC B127500
COC(=O)CN(CC(=O)OC)c1ccccc1OCCOc2ccccc2N(CC(=O)OC)CC(=O)OC B127520
[C@@H]1([C@H](O1)C(=O)[O-])C(=O)[O-].[Ba+2] B129125
Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O.CC(=O)O B129250
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)Cn2c3ccc(cc3c(c2c4ccc(cc4)O)C)O)N5CCCCCC5.CC(=O)O B129252
Cc1c2cc(ccc2n(c1c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccc(cc5)OCCN6CCCCCC6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O B129265
Cc1c2cc(ccc2n(c1c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccc(cc5)OCCN6CCCCCC6)O B129270
Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCCN5CCCCCC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O B129275
Cc1c2cc(ccc2n(c1c3ccc(cc3)O)Cc4ccc(cc4)OCC[N+]5(CCCCCC5)[O-])O B129280
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)Cn2c3ccc(cc3c(c2c4ccc(cc4)O)C)O)[N+]5(CCCCCC5)[O-] B129282
CN(CCc1ccc(c(c1)Cl)Cl)CCN2CCCC2 B129450
[2H]C([2H])([2H])N(CCN1CCCC1)C([2H])([2H])Cc2ccc(c(c2)Cl)Cl B129452
CN1CCN(CC1)CCc2ccc(c(c2)Cl)Cl B129470
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCc2ccc(c(c2)Cl)Cl)([2H])[2H])[2H] B129472
c1c2c(cc3c1OCCO3)OC4CCCN4C2=O B129500
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)Cl)C B131000
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H]([C@@]4(C(=O)C([2H])([2H])O)O)C)C)O)Cl)C B131002
C[C@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)Cl)C B131005
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]\4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H](/C4=C(\C=O)/O)C)C)O)Cl)C B131007
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)COC(=O)C B131015
CCCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC B131020
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)CC B131030
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B131032
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(F)(F)F)O)C)OC(=O)C(F)(F)F)Cl)C B131035
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)CO B131050
[2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)C(=O)CO B131052
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)O B131055
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)O B131057
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4CCNC(C)C)O.Cl B131300
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O.Cl B131302
CC(=O)Nc1ccc(cc1)C2=N[C@H]3CCN(C[C@H]3c4c2cc(c(c4)OC)OC)C B131600
Cc1cccc(c1N(C(C)C(=O)OC)C(=O)Cc2ccccc2)C B131900
[2H]c1c(c(c(c(c1[2H])[2H])CC(=O)N(c2c(cccc2C)C)C(C)C(=O)OC)[2H])[2H] B131902
CCS(=O)(=O)Nc1cc(c(cc1C(=S)N)F)n2c(=O)n(c(n2)C(F)(F)F)C B132200
CC(=O)N[C@@H](CSCCN(CCSC[C@@H](C(=O)O)NC(=O)C)c1ccc2c(c1)nc(n2C)CCCC(=O)O)C(=O)O B132480
[2H]C([2H])([2H])C(=O)N[C@@H](CSCCN(CCSC[C@@H](C(=O)O)NC(=O)C([2H])([2H])[2H])c1ccc2c(c1)nc(n2C)CCCC(=O)O)C(=O)O B132482
Cn1c2ccc(cc2nc1CCCC(=O)O)N(CCCl)CCCl.Cl B132500
[2H][H]c1cc2c(c(c1N(CCCl)CCCl)[H][2H])nc(n2C([2H])([2H])[2H])CCC([2H])([2H])C(=O)O.Cl B132502
CC(C)OC(=O)CCCc1nc2cc(ccc2n1C)N(CCCl)CCCl B132510
Cn1c2ccc(cc2nc1CCCC(=O)O)N(CCO)CCOC(=O)CCCc3nc4cc(ccc4n3C)N(CCO)CCO B132515
c1ccc(cc1)Cn2c3ccccc3c(n2)OCC(=O)O B132600
c1ccc(cc1)CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F B133500
[2H]c1c(c(c(c(c1[2H])[2H])CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F)[2H])[2H] B133502
c1ccc(cc1)C[C@@H]2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F B133505
c1ccc(cc1)C[C@H]2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)C(F)(F)F B133510
CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2.Cl B135000
Cc1ncc(c(n1)N)CN(C=O)/C(=C(/CCOP(=O)(O)O)\SC(=O)c2ccccc2)/C B136000
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)S/C(=C(/C)\N(Cc2cnc(nc2N)C)C=O)/CCOP(=O)(O)O)[2H])[2H] B136002
CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl B157490
CC1=C([C@H](C(=C(N1)C)C(=O)O[C@@H]2CCCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC.Cl B157500
[2H]c1c(c(c(c(c1[2H])[2H])CN2CCC[C@H](C2)OC(=O)C3=C(NC(=C([C@H]3c4cccc(c4)[N+](=O)[O-])C(=O)OC)C)C)[2H])[2H].Cl B157502
[HH].CC(COc1ccccc1Cc2ccccc2)N3CCCCC3.OOP(=O)=O B161500
CC(c1ccc2c(c1)nc(o2)c3ccc(cc3)Cl)C(=O)O B165300
[2H][13C]([2H])([2H])C(c1ccc2c(c1)nc(o2)c3ccc(cc3)Cl)C(=O)O B165302
c1ccc2c(c1)ccc3c2cc4cccc5c4c3CC5=O.c1ccc2c(c1)cc3c4ccccc4cc5c3c2CC5=O B183540
c1ccc2c(c1)ccc3c2cc4cccc5c4c3[13CH2][13C]5=O.c1ccc2c(c1)cc3c4ccccc4cc5c3c2[13CH2][13C]5=O B183542
[2H][13C]1(c2c3ccc4ccccc4c3cc5c2c(ccc5)[13C]1=O)[2H].[2H][13C]1(c2c3ccccc3cc4c2c(cc5c4cccc5)[13C]1=O)[2H] B183543
c1ccc2c(c1)ccc3c2cc4ccccc4c3CC(=O)O B183570
c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2][13C](=O)O B183572
COC(=O)Cc1c2ccccc2cc3c1ccc4c3cccc4 B183575
c1ccc2c(c1)ccc3c2cc4ccccc4c3CC#N B183580
c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2][13C]#N B183582
c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2]Cl B183592
c1ccc2c(c1)ccc3c2cc4ccccc4c3CO B183605
c1ccc2c(c1)ccc3c2cc4ccccc4c3[13CH2]O B183607
CC(=O)OCc1c2ccccc2cc3c1ccc4c3cccc4 B183610
CC(=O)O[13CH2]c1c2ccccc2cc3c1ccc4c3cccc4 B183612
c1ccc(cc1)/C=N/N=C/c2ccccc2 B183745
c1ccc(cc1)/C=N/O B183750
c1ccc(cc1)/C=N/NC(=O)N B183930
c1ccc(cc1)/C=N/N[13C](=O)N B183932
c1ccc(cc1)C(=O)NC2[C@H]([C@@H](C(O[C@H]2O)CO)O)O B185000
c1ccc(cc1)C(=O)NOCC(=O)O B185100
[2H]C([2H])(C(=O)O)ONC(=O)c1ccccc1 B185102
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br B185200
COC(=O)c1ccc(cc1)C(=O)OC B185325
[2H]c1c(c(c(c(c1C(=O)OC)[2H])[2H])C(=O)OC)[2H] B185327
c1ccc(c(c1)C(=O)O)C(=O)OCCCCO B185450
[2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCCO)[2H])[2H] B185452
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)O B185500
[2H]c1c(c(c(c(c1[2H])C(=O)O)C(=O)OCCCCCCC(C)C)[2H])[2H] B185502
c1ccc2c(c1)C(=O)CCC(=O)N2 B186000
c1ccc(cc1)/N=N/C(C#N)C#N B188850
c1ccc(c(c1)[15NH2])[15NH2] B189427
c1cc(cc(c1)S(=O)(=O)Cl)S(=O)(=O)Cl B189500
c1cc(c(cc1O)O)O B189800
CCOC(=O)C1(CCN(CC1)CCOCc2ccccc2)c3ccccc3.Br B190100
[2H]C1(CC(CC(N1CCOCc2ccccc2)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H].Br B190102
CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCC[N+](C)(C)Cc2ccccc2.[Cl-] B190250
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCOCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)[2H])[2H].[Cl-] B190252
c1ccc(cc1)C(c2ccccc2)O B193800
[2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])O)[2H])[2H] B193802
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)O)[2H])[2H] B193803
c1ccc(cc1)C(c2ccccc2)N B193820
CC(C)(C)OC(=O)CNC(c1ccccc1)c2ccccc2 B193925
c1ccc(cc1)C(c2ccccc2)N3CC(C3)O B195500
c1ccc(cc1)C(c2ccccc2)N3CC(C3)C#N B196500
CS(=O)(=O)OC1CN(C1)C(c2ccccc2)c3ccccc3 B196875
c1ccc(cc1)C(c2ccccc2)N3CCNCC3 B196950
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccccc3)([2H])[2H])[2H] B196952
CCN1CCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O B196990
CC[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)CC.[Br-] B197000
[2H]C([2H])([2H])C([2H])([2H])[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(c3ccccc3)O)CC.[Br-] B197002
c1cc2c(cc1C(=O)O)[nH]cn2 B197020
COC(=O)c1ccc2c(c1)[nH]cn2 B197025
COC(=O)c1ccc2c(c1)[nH]cn2.OS(=O)(=O)O B197030
CCCc1[nH]c2cc(cc(c2n1)C)C(=O)O B197825
Cc1c(ccn2c1c(n3c2nc4c3cccc4)Sc5[nH]c6ccccc6n5)OCC(F)(F)F B197855
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I B197860
c1ccc2c(c1)c(ns2)C3c4cc(c(cc4NC3=O)Cl)CCN5CCN(CC5)c6c7ccccc7sn6 B197875
c1ccc2c(c1)ccc3c2cc4cccc5c4c3C=C5.c1ccc2c(c1)cc3c4c2cc5ccccc5c4C=C3 B197910
[2H][13C]1=[13C](c2c3ccc4ccccc4c3cc5c2c1ccc5)[2H].[2H][13C]1=[13C](c2c3ccccc3cc4c2c1cc5c4cccc5)[2H] B197912
c1ccc(cc1)CNC(=O)Cn2ccnc2[N+](=O)[O-] B197925
[2H]c1c(c(c(c(c1C(=O)OCC)[2H])[2H])N)[2H] B197952
CNCC12CCC(c3c1cccc3)c4c2cccc4.Cl B198200
[2H]C([2H])([2H])NCC12CCC(c3c1cccc3)c4c2cccc4.Cl B198202
c1ccc2c(c1)NC(=O)CC(=O)N2 B198600
c1ccc2c(c1)OCC(O2)C(=O)O B198700
CCC(Cc1ccc2c(c1)OCO2)N.Cl B198900
[2H]C([2H])([2H])CC(Cc1ccc2c(c1)OCO2)N.Cl B198902
CN1CC(=O)NC(C1=O)Cc2c3ccccc3[nH]c2C(=O)c4ccc5c(c4)OCO5 B198960
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](N1C(=O)CCl)c4ccc5c(c4)OCO5 B200000
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](N1C(=O)CCl)c4ccc5c(c4)OCO5 B200005
CC(C)(C)CC(=O)N(Cc1cccc(c1)OC)[C@H]2C[C@H](N(C2)Cc3ccc4c(c3)OCO4)C(=O)O B200010
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@@H](N1)c4ccc5c(c4)OCO5 B200020
COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](N1)c4ccc5c(c4)OCO5 B200025
CC(C)(C)OC(=O)NOCC(=O)O B200750
CC(C)(C)OC(=O)NOCC(=O)ON1C(=O)CCC1=O B200760
c1ccc2c(c1)c(no2)CS(=O)(=O)[O-].[Na+] B201950
CCOC(=O)[13c]1[13cH][13cH][13c]([13cH][13cH]1)N B202972
CCOC(=O)c1ccc(cc1)N[C@]2(C([C@H]([C@H](O2)CO)O)O)CO B202980
CCOC(=O)c1ccc(cc1)N[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B202985
CS(=O)(=O)SCCOC(=O)c1ccc(cc1)N B203000
c1ccc2c(c1)OCC(O2)C(=O)N3CCNCC3 B203400
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)C2COc3ccccc3O2)([2H])[2H])[2H] B203402
COC(=O)Cc1ccc2c(c1)OCO2 B203480
CCCC(C(=O)c1ccc2c(c1)OCO2)Br B203490
c1ccc2c(c1)C(=O)N(C2=O)[C@@H]([C@@H](c3ccc4c(c3)OCO4)O)C(=O)O B203500
c1ccc2c(c1)C(=O)[15N](C2=O)[13C@H]([C@@H](c3ccc4c(c3)OCO4)O)[13C](=O)O B203502
c1cc2c(cc1CCC(=O)O)OCO2 B203505
c1ccc2c(c1)OCC(O2)C#N B203510
c1cc2c(cc1/C=C/C(=O)O)OCO2 B203520
CCC(c1ccc(cc1)O)C(CC)C(C)c2ccc(cc2)O B203550
CCC(c1ccc(cc1)OC)C(CC)C(C)c2ccc(cc2)OC B203555
[2H]C([2H])([2H])OC(=O)/C(=C\c1cccc2c1non2)/C(=O)C B203652
CC(=O)Cc1ccc2ccoc2c1 B203660
c1ccc2c(c1)ccc3c2-c4ccccc4C3 B203700
c1ccc(cc1)C(=O)NO B203750
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O)[2H])[2H] B203902
[13cH]1[13cH][13cH][13c]([13cH][13cH]1)C(=O)O B203903
Cc1c(=O)ccn(c1C(=O)O)c2[nH]c3ccccc3n2 B203960
c1ccc2c(c1)c(=O)[nH]s2 B204035
[13cH]1[13cH][13cH][13c]2c([13cH]1)c(=O)[nH]s2 B204037
c1ccc2c(c1)c(no2)CS(=O)(=O)Cl B204100
[2H]c1c(c(c2c(c1[2H])c(no2)CS(=O)(=O)Cl)[2H])[2H] B204102
CCCCNc1ccc(cc1)C(=O)OC B204500
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Nc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC B204502
c1ccc(cc1)C(=O)c2ccccc2 B204980
CS(=O)(=O)SC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)C(=O)c2ccccc2 B205000
CS(=O)(=O)SCCNC(=O)c1ccc(cc1)C(=O)c2ccccc2 B205275
c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)NCC(C(=O)O)NC(=O)/C=C/C(=O)O B205550
c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)NCC(C(=O)O)N3C(=O)C=CC3=O B205625
c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 B205800
c1ccc2cc3c(cc2c1)ncc(n3)C[C@@H]([C@@H](CO)O)O B206600
C1=CC(=O)C=CC1=NO B206610
c1cc2c(c(c1)S(=O)(=O)Cl)ncs2 B206620
c1cc2c(cc1S(=O)(=O)Cl)scn2 B206625
c1ccc2c(c1)ncs2 B206640
[2H]c1c(c(c2c(c1[2H])ncs2)[2H])[2H] B206642
[2H]c1c(c(c2c(c1[2H])[nH]c(=S)s2)[2H])[2H] B206652
Cc1ccc(cc1)S(=O)(=O)Nc2c(nc3ccccc3n2)Nc4ccc5c(c4)nsn5 B206700
CO/N=C(/c1csc(n1)N)\C(=O)Sc2nc3ccccc3s2 B206760
[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)Sc2nc3ccccc3s2 B206762
c1ccc2c(c1)nc(s2)SC[C@@H](C(=O)O)N B206785
c1ccc2c(c1)nc(s2)SCC[C@@H](C(=O)O)N B206795
c1ccc2c(c1)[nH]nn2 B206950
[2H]c1c(c(c2c(c1[2H])[nH]nn2)[2H])[2H] B206952
c1ccc2c(c1)nnn2C(=N)N.Cl B206970
c1cc2c(cc1S(=O)(=O)Cl)[nH]nn2 B206980
CN(C)[P+](N(C)C)(N(C)C)On1c2ccccc2nn1.F[P-](F)(F)(F)(F)F B207000
c1ccc2c(c1)nnn2O[P+](N3CCCC3)(N4CCCC4)N5CCCC5.F[P-](F)(F)(F)(F)F B207500
CN1C2C[C@@H](CC1CC2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)O B207575
c1cc(c2c(c1)non2)C=O B207680
[2H]c1c(c2c(c(c3c(c(c4c(c(c5c(c(c(c6c5c4c3c2c6c1[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] B207702
COC(=O)CCCCCNS(=O)(=O)Cc1nc2ccccc2o1 B207730
c1ccc(cc1)C(=O)CC#N B207920
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)OCC(=O)c2ccccc2)NC(=O)OCC3c4ccccc4-c5c3cccc5)CO)O)OC(=O)c6ccccc6 B207950
[2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)N)NC(=O)c2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[2H])[2H] B207967
CC(=O)[C@@H](CC(=O)OC)NC(=O)c1ccccc1 B207975
Cc1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3COC(=O)c4ccccc4 B207980
[2H]C([2H])([2H])c1cn2c(nc1=O)O[C@@H]3C[C@H]2O[C@@H]3COC(=O)c4ccccc4 B207982
c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NCCSSCCC(=O)O B208015
c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NCCSSCCC(=O)ON5C(=O)CC(C5=O)S(=O)(=O)[O-].[Na+] B208020
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)C)O B208030
CS(=O)(=O)SCCNC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)c3ccc(cc3)C(=O)c4ccccc4 B208035
c1ccc(cc1)C(=O)c2cccc(c2)CBr B208050
CC1(OC2[C@@H](O1)O[C@@]([C@H]2O)(COC(=O)c3ccccc3)COC(=O)c4ccccc4)C B208065
Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)OC(=O)c5ccccc5 B208070
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)CCC)O B208075
c1ccc(cc1)COC(=O)NCC(=N)N.Cl B208080
C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)C B208085
c1ccc(cc1)C(=O)Nc2ccn(c(=O)n2)[C@H]3C([C@H]([C@H](O3)CO)O)O B208090
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5ccc(nc5=O)NC(=O)c6ccccc6)O)O B208095
c1ccc(cc1)C(=O)Nc2[nH]c(=O)c3c(n2)n(cn3)[C@H]4C([C@H]([C@H](O4)CO)O)O B208100
c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)CCl)Cl B208105
C[C@H](CCCC(C)CO)[C@H]1C(C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)c5ccccc5)C)C)O B208110
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC=C4C(=O)COC(=O)c5ccccc5)C)O B208115
c1ccc(cc1)C(=O)NN B208235
c1ccc(cc1)C(=O)c2cc(ccc2C(=O)O)[N+](=O)[O-] B208250
c1ccc(cc1)C(=O)Oc2cccc3c2cc[nH]c3=O B208300
c1ccc(cc1)C(=O)c2cccc(c2)CC#N B208350
c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N.Cl B208500
c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)NC(=O)c2ccccc2 B208550
CCOC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)c2ccccc2)O B208555
c1ccc(cc1)C(=O)C2CCNCC2.Cl B208700
c1ccc(cc1)C(=O)CCC(=O)O B208800
[13cH]1[13cH][13cH][13c]([13cH][13cH]1)C(=O)CCC(=O)O B208802
CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO)NC(=O)OC(C)(C)C)OC(=O)c1ccccc1 B209350
CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OC(C)(C)C)OC(=O)c4ccccc4 B209475
[13cH]1[13cH][13cH][13c]([13cH][13cH]1)[13C](=O)Cl B209552
CC[C@@H](C(=O)O)SC(=O)c1ccccc1 B209650
C[C@H](CSC(=O)c1ccccc1)C(=O)O B209700
C[C@H](CCCC(C)COC(c1ccccc1)(c2ccccc2)c3ccccc3)[C@H]4C(C[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC=C7[C@@]6(CC[C@H](C7)OC(=O)c8ccccc8)C)C)O B209750
C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)c2ccccc2 B209850
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](C)C(=O)O)[2H])[2H] B209852
C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[13c]2[13cH][13cH][13cH][13cH][13cH]2 B209853
CCCN(CCC)C(=O)C(Cc1ccc(cc1)O)NC(=O)c2ccccc2 B209860
C[C@H](Cc1ccccc1)N(C)Cc2ccccc2.Cl B209870
[2H]C([2H])([2H])N(Cc1ccccc1)[C@H](C)Cc2ccccc2.Cl B209872
C[C@@H](Cc1ccccc1)N(C)Cc2ccccc2.Cl B209875
[2H]C([2H])([2H])N(Cc1ccccc1)[C@@H](C)Cc2ccccc2.Cl B209877
CC(Cc1ccccc1)N(C)Cc2ccccc2.Cl B209880
[2H]C([2H])([2H])N(Cc1ccccc1)C(C)Cc2ccccc2.Cl B209882
CCN(CC)C(=O)C1CN2CCc3cc(c(cc3C2CC1OC(=O)C)OC)OC.Cl B209900
[2H]C([2H])([2H])C(=O)OC1CC2c3cc(c(cc3CCN2CC1C(=O)N(CC)CC)OC)OC.Cl B209902
c1ccc(cc1)CSCC2=NS(=O)(=O)c3cc(c(cc3N2)Cl)S(=O)(=O)N B209925
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])SCC2=NS(=O)(=O)c3cc(c(cc3N2)Cl)S(=O)(=O)N)[2H])[2H] B209927
CN(C)CCCOc1c2ccccc2n(n1)Cc3ccccc3.Cl B209950
[2H]C([2H])([2H])N(CCCOc1c2ccccc2n(n1)Cc3ccccc3)C([2H])([2H])[2H].Cl B209952
C[N+](C)(CCCOc1c2ccccc2n(n1)Cc3ccccc3)[O-] B209960
[2H]C([2H])([2H])[N+](CCCOc1c2ccccc2n(n1)Cc3ccccc3)(C([2H])([2H])[2H])[O-] B209962
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O)OCC=C B210010
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@H](O2)c3ccccc3)O[C@@H]1OCc4ccccc4)OCC=C B210100
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@@H](O2)c3ccccc3)O[C@H]1OCc4ccccc4)OCc5ccccc5 B210600
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](CO[C@@H](O2)c3ccccc3)O[C@@H]1OCc4ccccc4)OCC(=O)O B210950
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O B211000
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OCc4ccccc4)O B211001
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@H]1OCc4ccccc4)OC B211020
CC(C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B211035
CC(C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B211040
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B211065
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O B211250
C[C@H]1[C@H]([C@H]([C@@H](C(O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)COCc4ccccc4)OCc5ccccc5)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 B211325
C[C@H]1[C@H]([C@H]([C@@H](C(O1)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)COCc4ccccc4)OCc5ccccc5)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 B211330
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)OCC=C B211355
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC=C B211360
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCc5ccccc5)O)OC(=O)C)OC(=O)C)OCC=C B211365
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)COC(O5)c6ccccc6)OC(=O)C)OC(=O)C)OCC=C B211370
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)COC(O5)c6ccccc6)O)O)OCC=C B211375
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O B211675
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OCc2ccccc2)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O B211740
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B211750
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccc(cc3)OC)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B211760
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)OC(=O)C)OC(=O)C B211850
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)OC(=O)C)OC(=O)C B211900
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)OCc3ccccc3)OCc4ccccc4 B211950
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)O)OCc4ccccc4 B212000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)COCc3ccccc3)O)OCc4ccccc4 B212500
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)O)O B212505
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O[C@H]3[C@@H]([C@H]([C@@H](O3)C(CO)O)O)O)O B212510
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O B212520
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)O[C@@H]1OCc4ccccc4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O B212525
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O B212530
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O B212531
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O B212532
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O B212535
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O B212540
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)CO)O)O B212545
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)OC1OCc3ccccc3)O B212549
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OCc3ccccc3)O B212550
CC(=O)N[C@@H]1[C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@H]1OCc3ccccc3)O B212570
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)OC1OCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B218001
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B218780
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B218801
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B219000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)OC(=O)C)OC(=O)C B219875
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)COC(=O)C)OC(=O)C)OC(=O)C B219880
C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)COCc3ccccc3)OCc4ccccc4)NC(=O)C B219950
C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)N3C(=O)c4ccccc4C3=O)COCc5ccccc5)OCc6ccccc6)NC(=O)C B219960
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OCc3ccccc3)NC(=O)C)OC(=O)C)OC(=O)C)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6 B222465
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OCc2ccccc2)CO[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B222470
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COC(=O)c3ccccc3)O)OC(=O)c4ccccc4 B222600
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COC(=O)c3ccccc3)F)OC(=O)c4ccccc4 B222615
CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCc3ccccc3)NC(=O)C)OCc4ccccc4)COCc5ccccc5)COC(=O)C)OC(=O)C B222618
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)F)O B222620
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)OC B222675
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B222775
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCc2ccccc2)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5 B222860
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@H]3[C@H]2OC(OC3)c4ccccc4)OCc5ccccc5)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 B222890
CC(=O)CC(=O)NCc1ccccc1 B222950
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2OCc3ccccc3)CO)O)O)CO)O)O B223150
C[C@@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223240
C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223250
C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223270
C[C@@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@H]2[C@H]1OC(OC2)c3ccccc3)OCc4ccccc4)NC(=O)C B223275
C[C@H](C(=O)OC)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)COCc2ccccc2)OCc3ccccc3)NC(=O)C B223475
CC(=O)O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCc2ccccc2)COCc3ccccc3)OCc4ccccc4)OCc5ccccc5 B224325
C=C(Cc1ccccc1)C(=O)O B224380
c1ccc(cc1)Cn2cnc3c2ncnc3N B224450
c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O B224615
CC(C)(C)NCC(c1ccc(c(c1)CO)OCc2ccccc2)O B224750
C=CC[C@H]1[C@H](CCCN1C(=O)OCc2ccccc2)O B224850
c1ccc(cc1)CNc2c3cc[nH]c3ncn2 B224920
c1ccc(cc1)CO[C@@H]2C([C@H]([C@H](C(O2)CO)O)O)N B224930
CC1(O[C@H]2[C@H](O[C@@H](C2O1)C(COC(c3ccccc3)(c4ccccc4)c5ccccc5)N)OCc6ccccc6)C B224945
CC1(O[C@H]2[C@H](O[C@@H](C2O1)/C(=N/O)/COC(c3ccccc3)(c4ccccc4)c5ccccc5)OCc6ccccc6)C B224947
[2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])NCc1ccccc1 B224948
CC(C)(CO)NCc1ccccc1 B224949
CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](COC(c3ccccc3)(c4ccccc4)c5ccccc5)N)OCc6ccccc6)C B224950
CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](CO)N)OCc3ccccc3)C B224970
c1ccc(cc1)CO[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O B225000
C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCc2ccccc2)OC)OCc3ccccc3)N B225600
c1ccc(cc1)CNCCOC2CCCCO2 B225650
CC(C)(/C(=N/O)/N)NC(=O)OCc1ccccc1 B225700
c1ccc(cc1)CNCCCO B225800
c1ccc(cc1)CNC[C@@H]([C@H]2CCc3cc(ccc3O2)F)O B225935
CCC(CO)(c1ccccc1)NCc2ccccc2 B225990
[2H]C([2H])([2H])C([2H])([2H])C(CO)(c1ccccc1)NCc2ccccc2 B225992
c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O B227950
c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O B228050
c1ccc(cc1)CNc2c3ccccc3nc4c2C(CCC4)O.C(=C\C(=O)O)\C(=O)O B230000
c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](CO2)O)O)O B230425
c1ccc(cc1)CN2[C@@H]3CC[C@H]2C[C@@H](C3)N B230760
CC(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccccc3 B230770
[2H]C([2H])([2H])C(C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccccc3)C([2H])([2H])[2H] B230772
c1ccc(cc1)CO[C@@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)CO[C@@H](O3)c4ccccc4)O)N=[N+]=[N-] B230785
c1ccc(cc1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N=[N+]=[N-] B230795
C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCc2ccccc2)OC)OCc3ccccc3)N=[N+]=[N-] B230800
c1ccc(cc1)COS(=O)(=O)c2ccccc2 B230900
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)OC(=O)c5ccccc5)OCc6ccccc6 B231000
c1ccc(cc1)CNC(=O)CN(Cc2ccccc2)C(=O)CCl B231100
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3[C@@H](COC(O3)Cc4ccccc4)O[C@@H]([C@H]2OCc5ccccc5)OCc6ccccc6)CO)O)O B231200
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]3[C@@H](COC(O3)Cc4ccccc4)O[C@@H]([C@H]2OCc5ccccc5)OCc6ccccc6)COC(=O)C)OC(=O)C)OC(=O)C B231230
c1ccc(cc1)CO[C@@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)OCc5ccccc5 B231900
c1ccc(cc1)CO[C@H]2[C@H]3C(COC(O3)c4ccccc4)O[C@@H](C2O)OCc5ccccc5 B231905
c1ccc(cc1)CO[C@H]2[C@@H]3C(COC(O3)c4ccccc4)O[C@H](C2OCc5ccccc5)OCc6ccccc6 B232000
c1ccc(cc1)CO[C@H]2C([C@H]([C@@H]3C(O2)COC(O3)c4ccccc4)O)O B232200
c1ccc(cc1)CO[C@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)O B232350
c1ccc(cc1)CO[C@@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)O B232500
c1ccc(cc1)COC(=O)CCc2ccc(cc2)OC(=O)CCCCCNC(=O)OCc3ccccc3 B232650
c1ccc(cc1)CN2CCC(CC2)NC(=O)OCc3ccccc3 B232660
c1ccc(cc1)COc2ccc(cc2C(=O)OCc3ccccc3)C=O B232770
c1ccc(cc1)COCC(=O)OCc2ccccc2 B232880
COC(=O)[C@H](Cc1ccc(c(c1)O)OCc2ccccc2)NC(=O)OCc3ccccc3 B232890
COc1cc(ccc1OCc2ccccc2)C[C@@H](C(=O)OC)NC(=O)OCc3ccccc3 B232900
[2H]C([2H])([2H])Oc1cc(ccc1OCc2ccccc2)C[C@@H](C(=O)OC)NC(=O)OCc3ccccc3 B232902
COc1cc2c(cc1OCc3ccccc3)C/C(=C/C4CCN(CC4)Cc5ccccc5)/C2=O B232950
[2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)/C=C\3/Cc4cc(c(cc4C3=O)OC)OCc5ccccc5)[2H])[2H] B232952
[2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)/C=C\3/Cc4cc(c(cc4C3=O)OCc5ccccc5)OC)[2H])[2H] B232957
c1ccc(cc1)CN2CCC(CC2)(C#N)N3CCCCC3 B232980
c1ccc(cc1)CN2[C@H]3CS[C@H]([C@H]3NC2=O)CCCCC(=O)O B233025
CN(Cc1ccccc1)CC(c2ccc(c(c2)O)O)O B276400
[2H]C([2H])([2H])N(Cc1ccccc1)CC(c2ccc(c(c2)O)O)O B276402
CCN(Cc1ccccc1)C(=O)[C@@]2(C[C@@H]2CO)c3ccccc3 B276410
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@H]2O)O)OCc5ccccc5 B276450
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@@H]([C@@H]2O)O)OCc5ccccc5 B276455
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@H]2O)OCc5ccccc5 B276470
[2H][C@@]1([C@]2(CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])OCc5ccccc5)C)O B276472
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OCc5ccccc5 B276475
CC(C)(c1ccc(cc1)OCc2ccccc2)c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O B233055
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(C)(C)c3ccc(cc3)OCc4ccccc4)C(=O)OC)OC(=O)C B233060
[2H]C([2H])([2H])C(c1ccc(cc1)OCc2ccccc2)(c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)C([2H])([2H])[2H] B233062
C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2ccc(=O)[nH]3)OCc4ccccc4)O.Cl B233100
CC(C)(C)OC(=O)NCCSCc1ccccc1 B233200
[2H]C1(C2CCCN(C2C(N1Cc3ccccc3)([2H])[2H])C(=O)OC(C)(C)C)[2H] B233282
COc1ccc(cc1)[C@H](Cc2ccc(cc2Br)OC)C(=O)N3[C@H](COC3=O)Cc4ccccc4 B233310
c1ccc(cc1)COC(=O)N2CCC[C@H]3[C@@H]2CC(O3)CBr B233340
[2H]c1c(c(c(c(c1OCc2ccccc2)[2H])[2H])Br)[2H] B233397
CC(C)[Si]1(OC[C@@H]2C(C[C@@H](O2)n3c4c(c(nc(n4)N)OCc5ccccc5)nc3Br)O[Si](O1)(C(C)C)C(C)C)C(C)C B233450
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NOCc1ccccc1 B233490
CC(C)(C)OC(=O)Nc1ccc(c(c1)C(=O)OCc2ccccc2)OCc3ccccc3 B233495
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)OC(=O)C(C)(C)C)OCc5ccccc5 B233500
CC(C)[C@H]1[C@@](N(CO1)Cc2ccccc2)(CO)CO[Si](C)(C)C(C)(C)C B233520
CC(C)[C@H]1[C@](N(CO1)Cc2ccccc2)(CO[Si](C)(C)C(C)(C)C)C(=O)OC B233530
Cc1cccc(c1OC(=O)[C@H](C)[C@@H]([C@]2([C@@H](OCN2Cc3ccccc3)C(C)C)CO[Si](C)(C)C(C)(C)C)O)C B233540
CCCCOC(=O)c1ccccc1C(=O)OCc2ccccc2 B233555
[2H]c1c(c(c(c(c1[2H])C(=O)OCCCC)C(=O)OCc2ccccc2)[2H])[2H] B233557
CC(C)(C)[C@@H]1N([C@@H](CO1)C(=O)OC)Cc2ccccc2 B233570
CC(C)(C)OC(=O)N1CCC(CC1)N(c2ccccc2)C(=O)CCOCc3ccccc3 B233600
[2H]c1c(c(c(c(c1[2H])[2H])N(C2CCN(CC2)C(=O)OC(C)(C)C)C(=O)CCOCc3ccccc3)[2H])[2H] B233602
c1ccc(cc1)COC(=O)NN B233620
c1ccc(cc1)COC(=O)[C@H](CCCCO)NC(=O)OCc2ccccc2 B233645
CCOC(=O)C1CCN(CC1)Cc2ccccc2 B233660
COc1ccccc1OCCN(Cc2ccccc2)CC(COc3cccc4c3c5ccccc5[nH]4)O B233670
[2H]c1c(c(c(c(c1[2H])[2H])CN(CCOc2ccccc2OC)CC(COc3cccc4c3c5ccccc5[nH]4)O)[2H])[2H] B233672
c1ccc(cc1)CCl B233675
[2H]c1c(c(c(c(c1[2H])[2H])CCl)[2H])[2H] B233677
c1ccc(cc1)COC(=O)N2CCN(CC2)C(=O)OC3c4c(nccn4)C(=O)N3c5ccc(cn5)Cl B233680
c1ccc(cc1)Cn2c3ccccc3c(n2)OCCCCl B233690
c1ccc(cc1)CN2CCN(CC2)c3cc4c(cc3F)c(=O)c(cn4C5CC5)C(=O)OCc6ccccc6 B233700
c1ccc(cc1)CNC(=O)NC(=O)CC#N B233750
C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](CO[C@H]2OCc3ccccc3)C#N)(C)OC)OC B233780
CC(C)(C#N)NC(=O)OCc1ccccc1 B233870
c1ccc(cc1)CN2CCC(CC2)(C#N)c3ccccc3 B233900
c1ccc(cc1)CS(=O)(=O)C[C@@H](C(=O)O)N B234500
c1ccc(cc1)COc2cccc3c2CN(CC3)C(=N)N B234520
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)c3coc4cc(ccc4c3=O)OCc5ccccc5)C(=O)OC)OC(=O)C B234545
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C=CC2=O)OCc5ccccc5 B234560
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C=CC25OCCO5)OCc6ccccc6 B234565
CCC(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N(C)Cc3ccccc3 B234590
[2H]C([2H])([2H])C([2H])([2H])C(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N(C)Cc3ccccc3 B234592
c1ccc(cc1)CO[C@@H]2[C@H]([C@@H](O[C@H]3[C@H]2OC(OC3)c4ccccc4)OCc5ccccc5)NC(=O)c6ccccc6C(=O)O B234665
c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C[C@H]([C@H](O4)CO)O B234700
c1ccc(cc1)CO[C@H]2[C@H]([C@@H]([C@@H](CO2)C[N+](=O)[O-])O)O B234820
c1ccc(cc1)CO[C@H]2[C@H]([C@@H](C(CO2)C[N+](=O)[O-])O)O B234825
c1ccc(cc1)CO[C@H]2[C@H]3C(COC(O3)c4ccccc4)O[C@H](C2N5C(=O)c6ccccc6C5=O)OCc7ccccc7 B234830
c1ccc(cc1)CO[C@H]2C([C@H]([C@H]3C(O2)COC(O3)c4ccccc4)O)N5C(=O)c6ccccc6C5=O B234833
c1ccc(cc1)COCC2C[C@@H](C([C@@H](O2)OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6 B234835
CC(=O)OC[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6)COCc7ccccc7)N8C(=O)c9ccccc9C8=O)OC(=O)C B234850
c1ccc(cc1)COCC2[C@H]([C@@H](C([C@@H](O2)OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6)O B234855
c1ccc(cc1)COCC2[C@H]([C@@H](C([C@@H](O2)OCc3ccccc3)N4C(=O)c5ccccc5C4=O)OCc6ccccc6)OC(=S)Oc7ccccc7 B234860
c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)N3C(=O)c4ccccc4C3=O B234870
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCc2ccccc2)N3C(=O)c4ccccc4C3=O)OC(=O)C)OC(=O)C B234873
c1ccc(cc1)COc2ccccc2OCCNC[C@@H](COc3cccc4c3c5ccccc5[nH]4)O B234875
[2H]C([2H])([2H])N(Cc1ccccc1)C[C@H]2CCCC[C@@]2(c3cccc(c3)OC)O B234922
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCc3ccccc3)CO)CO)O)O B235000
CC(=O)O[C@H]1[C@@H](/C(=C\[N+](=O)[O-])/CO[C@H]1OCc2ccccc2)OC(=O)C B251250
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OCc2ccccc2)OC(=O)C)OC(=O)C B251280
c1ccc(cc1)CN2C[C@H]3CC[C@@H](C2)N3 B251290
[2H]c1c(c(c2c(c1[2H])CC(=O)c3ccccc3N2Cc4ccccc4)[2H])[2H] B251307
CCCCC(=O)NC(COCc1ccccc1)C#N B258850
[2H]C([2H])([2H])CCCC(=O)NC(COCc1ccccc1)C#N B258852
CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)OC)COCc2ccccc2)O B275150
c1ccc(cc1)CN(Cc2ccccc2)CC(C(=O)OCc3ccccc3)F B275350
c1ccc(cc1)CN(Cc2ccccc2)[13CH2][13C@H]([13C](=O)OCc3ccccc3)F B275352
c1ccc(cc1)CO[C@H]2[C@H](C(O[C@H](C2OCc3ccccc3)OCc4ccccc4)COC(=O)c5ccccc5)O B275425
c1ccc(cc1)CO[C@H]2[C@H]3C(COC(O3)c4ccccc4)O[C@H](C2OCc5ccccc5)OCc6ccccc6 B275500
c1ccc(cc1)CN2[C@H]3COC(O[C@H]3[C@H]4[C@@H]2COC(O4)c5ccccc5)c6ccccc6 B275510
c1ccc(cc1)CO[C@H]2[C@H](C(O[C@H](C2OCc3ccccc3)OCc4ccccc4)CO)O B275550
c1ccc(cc1)COC(=O)CCCC(=O)O/C(=N\C2CCCCC2)/NC3CCCCC3 B275640
CCN(CC)CCCOc1c2ccccc2n(n1)Cc3ccccc3 B275750
c1ccc(cc1)CN2CC(=O)c3c(cccn3)C2=O B275850
c1ccc(cc1)CN2C=CCC(=C2)C(=O)N B275910
CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)OCc4ccccc4)C B276000
CC1(OCC(O1)[C@@H]2C3[C@H]([C@H](O2)OCc4ccccc4)OC(O3)(C)C)C B276100
C[C@]1([C@@](O[C@H]2[C@H](O1)[C@@H](CO[C@H]2OCc3ccccc3)O)(C)OC)OC B276120
C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](CO[C@H]2OCc3ccccc3)O)(C)OC)OC B276125
C[C@]1([C@@](O[C@H]2[C@H](O1)[C@H](CO[C@H]2OCc3ccccc3)OC(=O)c4ccc(cc4)[N+](=O)[O-])(C)OC)OC B276130
COc1cc2c(cc1OC)C(=O)/C(=C\C3CCN(CC3)Cc4ccccc4)/C2 B276140
COc1cc2c(cc1OC)[13C](=O)/[13C](=C\C3CCN(CC3)Cc4ccccc4)/[13CH2]2 B276142
COc1cc2c(cc1OC)C(=O)/C(=C\C3CCN(C=C3)Cc4ccccc4)/C2 B276145
COc1cc2c(cc1OC)C(=O)C(C2)Cc3cc[n+](cc3)Cc4ccccc4.[Br-] B276150
COc1ccc(cc1OC)CCC(=O)NCc2ccccc2 B276155
COc1cc2c(cc1OC)CN(CCC2)Cc3ccccc3 B276180
COc1cc2c(cc1OC)CN(C(=O)CC2)Cc3ccccc3 B276185
CC1(N([C@H]2c3ccccc3C[C@H]2O1)C(=O)[C@H](Cc4ccccc4)C[C@H]5CO5)C B276235
Cc1cc[n+](cc1C)Cc2ccccc2.[Cl-] B276265
C[C@@H]1CC[C@H](N1Cc2ccccc2)C B276275
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] B276285
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCC)[2H])[2H].[Cl-] B276287
c1ccc(cc1)CN2C(=O)C3=C(C2=O)NCCC3 B276295
c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC(=O)O B276305
c1ccc(cc1)COC(=O)C2CCN2C(c3ccccc3)c4ccccc4 B276315
c1ccc(cc1)COC(=O)[C@H](CO)N=C(c2ccccc2)c3ccccc3 B276355
c1ccc(cc1)COc2ccc(cc2O)CCN B276385
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)c5ccc(cc5)[N+](=O)[O-])OCc6ccccc6 B276480
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC=C2)OCc5ccccc5 B276485
c1ccc(cc1)COc2c3c(n4ccnc4n2)n(cn3)[C@H]5C([C@H]([C@H](O5)CO)O)O B276490
[2H]c1nc2c(nc3n[13cH][13cH]n3c2n1[C@H]4C([C@H]([C@H](O4)CO)O)O)OCc5ccccc5 B276492
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OCc5ccccc5 B276495
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)OCc5ccccc5 B276500
[2H][C@@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OCc5ccccc5)C)O)O B276502
CCOc1ccccc1OCCNCc2ccccc2 B276505
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC25OCCO5)OCc6ccccc6 B276510
CC(=O)O[C@@H]1[C@@H]([C@@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OCc5ccccc5)C)O)O B276515
CC(C)[Si]1(OC[C@@H]2[C@@H](C[C@@H](O2)n3cnc4c3n5ccnc5nc4OCc6ccccc6)O[Si](O1)(C(C)C)C(C)C)C(C)C B276520
CC(C)[Si]1(OC[C@@H]2[C@@H](C([C@@H](O2)n3cnc4c3n5ccnc5nc4OCc6ccccc6)OC(=S)Oc7ccccc7)O[Si](O1)(C(C)C)C(C)C)C(C)C B276525
CCNC(=O)[C@@H]1C([C@@H]([C@@H](O1)n2cnc3c2ncnc3NCc4ccccc4)O)O B276550
CCC(c1ccccc1)(C(=O)OCC)NCc2ccccc2 B276555
[2H]C([2H])([2H])Oc1cc(cc(c1OCc2ccccc2)OC)[C@@H]3c4cc5c(cc4C(C6[C@@H]3C(=O)OC6)O[C@H]7[C@@H]([C@H]([C@H]8[C@H](O7)CO[C@H](O8)C)O)O)OCO5 B276562
CCC(=O)N(c1ccccc1)C2CCN(CC2)Cc3ccccc3 B276580
[2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCN(CC2)Cc3ccccc3 B276582
CC(C)(c1nc(c(c(=O)n1C)O)C(=O)NCc2ccc(cc2)F)NC(=O)OCc3ccccc3 B276590
[2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)OCc2ccccc2)C(=O)NCc3ccc(cc3)F)O B276592
c1ccc(cc1)CNC(=O)/C=C/c2ccc(cc2)F B276600
CS(=O)(=O)OC[C@@H]1CN(CC[C@H]1c2ccc(cc2)F)Cc3ccccc3 B276650
[2H]C1(C[C@H]([C@@H](CN1Cc2ccccc2)C([2H])([2H])OS(=O)(=O)C)c3ccc(cc3)F)[2H] B276652
COC(=O)[C@H]1CN(C(=O)C[C@H]1c2ccc(cc2)F)Cc3ccccc3 B276660
COC(=O)[C@@H]1CN(C(=O)C[C@H]1c2ccc(cc2)F)Cc3ccccc3 B276661
c1ccc(cc1)CN2CC[C@H]([C@@H](C2)CO)c3ccc(cc3)F B276670
[2H]C1(C[C@H]([C@@H](CN1Cc2ccccc2)C([2H])([2H])O)c3ccc(cc3)F)[2H] B276672
c1ccc(cc1)CO[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B276750
c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B276760
c1ccc(cc1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O B276780
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OCc2ccccc2)C(=O)OC)OC(=O)C B276785
c1ccc(cc1)COCC(CO)O B277000
c1ccc(cc1)COCC2COC(=O)O2 B278000
c1ccc(cc1)COc2c3c([nH]cn3)nc(n2)N B278500
c1ccc(cc1)COc2c3c(nc(n2)N)n(cn3)[C@H]4C([C@H]([C@H](O4)CO)O)O B278525
c1ccc(cc1)CSCC[C@@H](C(=O)O)N B278800
c1ccc(cc1)CC2C(=O)NC(=O)N2 B279000
c1ccc(cc1)CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)Cl B279020
[2H]c1c(c(c(c(c1[2H])[2H])CC2Nc3cc(c(cc3S(=O)(=O)N2)S(=O)(=O)N)Cl)[2H])[2H] B279022
c1ccc(cc1)CNC(=O)COCCNCCO B279025
[2H]C1(c2ccccc2N(c3ccccc3C1([2H])O)Cc4ccccc4)[2H] B279032
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)OCc5ccccc5 B279035
CC(C(=O)c1ccccc1)N(CCO)Cc2ccccc2.Cl B279040
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(C)N(CCO)Cc2ccccc2)[2H])[2H].Cl B279042
c1ccc(cc1)Cn2c3ccccc3c(=O)[nH]2 B279045
c1ccc(cc1)COC(=O)NCCc2c[nH]c3c2cc(cc3)O B279050
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-] B279070
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)S(=O)(=O)c2ccc(cc2)[N+](=O)[O-] B279072
c1ccc(cc1)CON.Cl B279080
CC(Cc1ccc(cc1)OC)N(Cc2ccccc2)CC(c3ccc(c(c3)N)OCc4ccccc4)O B279092
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)N(Cc2ccccc2)CC(c3ccc(c(c3)NC=O)OCc4ccccc4)O B279097
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)N(Cc2ccccc2)CC(c3ccc(c(c3)[N+](=O)[O-])OCc4ccccc4)O B279102
c1ccc(cc1)COc2ccc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)O B279110
CS(=O)(=O)SCc1ccccc1 B285500
COC(=O)C1CN(CCC1=O)Cc2ccccc2 B285510
COc1ccc(cc1)CC(=O)N2[C@H](COC2=O)Cc3ccccc3 B285530
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)NCc2ccccc2 B285577
c1ccc(cc1)COc2ccccc2C(=O)OCc3ccccc3 B285585
c1ccc(cc1)CO[13c]2[13cH][13cH][13cH][13cH][13c]2C(=O)OCc3ccccc3 B285587
CC(C(=O)c1ccc(cc1)OCc2ccccc2)Br B285590
CN(Cc1ccccc1)C[C@@H](c2ccc(c(c2)OC)OC)O B285595
[2H]C([2H])([2H])N(Cc1ccccc1)C[C@@H](c2ccc(c(c2)OC)OC)O B285597
c1ccc(cc1)COc2cc(c3c(=O)cc(oc3c2)c4ccc5c(c4)OC(O5)(c6ccccc6)c7ccccc7)O B285610
CN(Cc1ccccc1)CC(=O)c2ccc(c(c2)O)O B285620
[2H]C([2H])([2H])N(Cc1ccccc1)CC(=O)c2ccc(c(c2)O)O B285622
COC(=O)c1ccc(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)OCc3ccccc3 B279115
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(ccc2OCc3ccccc3)C(=O)OC)C(=O)OC)OC(=O)C B279120
c1ccc(cc1)COC(=O)CCc2ccc(cc2)O B279125
CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](COC(O2)c3ccccc3)OC1O)O B279140
CCOC(=O)C(C)/N=C/c1ccccc1 B279155
c1ccc(cc1)/C=N/N2C(=O)C(=O)NC2=O B279160
c1ccc(cc1)/C=N/N2CC(=O)NC2=O B279165
c1ccc(cc1)/C=N/N2[13CH2][13C](=O)N[13C]2=O B279167
CC(C)(C)OC(=O)N1CC([C@H]([C@H]2C1COC(O2)c3ccccc3)O)O B279170
Cc1ccc(cc1)S(=O)(=O)OC2CN(C3COC(O[C@H]3[C@@H]2O)c4ccccc4)C(=O)OC(C)(C)C B279175
c1ccc(cc1)[C@@H]2OC[C@@H]3[C@@H](O2)[C@@H](C=CO3)O B279200
c1ccc(cc1)C2OCC3[C@@H](O2)[C@@H](C([C@@H](O3)O)O)O B279235
c1ccc(cc1)[C@H]2OC[C@H](CO2)O B279275
CCOC(=O)C/N=C/c1ccccc1 B279325
CCN(CC)CC.CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OC(=O)C)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)COC(O3)c4ccccc4)OC(=O)C)OC(=O)C)OC(=O)C B279400
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC1COC(OC1)c2ccccc2 B279475
CCOC(=O)C(c1ccccc1)/N=C/c2ccccc2 B279550
C#CC/N=C/c1ccccc1 B279625
c1ccc(cc1)CN2C[C@H](C([C@@H](C2COCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6 B279680
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@@H]4[C@@H](CO[C@@H](O4)c5ccccc5)OC([C@@H]3O)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9 B279750
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H]4[C@@H](COC(O4)c5ccccc5)O[C@H]3OCc6ccccc6)O)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9 B279752
COC(=O)/C=C/c1ccc(c(c1)O)OCc2ccccc2 B279760
COC(=O)/C=C/c1ccc(c(c1)OS(=O)(=O)[O-])OCc2ccccc2.c1cc[nH+]cc1 B279765
CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Br-] B279780
[2H]c1c(c(c(c(c1[2H])[2H])C[N+](C)(C)CCCCCCCCCCCC)[2H])[2H].[Br-] B279782
c1ccc(cc1)COC(=O)C2[C@H](C([C@@H]([C@@H](O2)O)O)O)O B279800
c1ccc(cc1)CO[13C](=O)[13CH]2[13C@H]([13C@@H]([13CH]([13C@@H](O2)O)O)O)O B279802
c1ccc(cc1)CN2CNC(=S)NC2 B279815
CCCCCC(=O)N1[C@H](COC1=O)Cc2ccccc2 B279830
[2H]C([2H])([2H])C(C)C[C@@H](C(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]([C@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)NC=O B279842
CCCCCCCCCCC[C@@H](C[C@@H]([C@@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)O B279850
CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)O B279851
CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)OCc1ccccc1)OCc2ccccc2)O[Si](C(C)C)(C(C)C)C(C)C B279870
c1ccc(cc1)CNN B279880
c1ccc(cc1)COC(=O)N2CCC[C@H]3[C@@H]2CC(O3)(Cn4cnc5cc(c(cc5c4=O)Cl)Br)O B279900
c1ccc(cc1)Cn2c3ccccc3c(=O)[n-]2.[Na+] B279940
c1ccc(cc1)CCCCP(=O)(CC(=O)OCc2ccccc2)O B279945
CC(C)CN(C[C@H]([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O)S(=O)(=O)c2ccc(cc2)N B279950
c1ccc(cc1)COC(=O)Cc2ccc(cc2)O B279955
c1ccc(cc1)CCC(C(=O)OCc2ccccc2)O B279960
c1ccc(cc1)COC(=O)CCO B279965
c1ccc(cc1)Cn2ccc3c2ccc(c3)C=O B279970
CC[C@](c1cccc(c1)OCc2ccccc2)([C@@H](C)CN(C)C)O B279980
[2H]C([2H])([2H])C([2H])([2H])[C@](c1cccc(c1)OCc2ccccc2)([C@@H](C)CN(C)C)O B279982
CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccc(cc4)OCc5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)[C@@]8(CO[C@@H]8[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C B279990
[C-]#[N+]Cc1ccccc1 B279995
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CO)O)OCc3ccccc3)C B280000
CC1(OCC(O1)COCc2ccccc2)C B281000
CC1(OC[C@@H](O1)COCc2ccccc2)C B281010
CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@@H]([C@H](CO)O)O)OCc3ccccc3)C B281050
CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](CO)O)OCc3ccccc3)C B281200
CC1(O[C@H]2[C@H](O[C@@H](C2O1)C=O)OCc3ccccc3)C B281325
CC1(O[C@H]2[C@H](O[C@@H](C2O1)C(=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)OCc6ccccc6)C B281375
CC1(O[C@H]2[C@H](O[C@@H](C2O1)[C@@H](COC(c3ccccc3)(c4ccccc4)c5ccccc5)O)OCc6ccccc6)C B281390
Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)C(C)C B281420
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc4ccccc4)C)C([2H])([2H])[2H] B281422
c1ccc(cc1)CN=C=S B281500
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])N=C=S)[2H])[2H] B281502
c1ccc(cc1)CO[C@H]2C([C@H]([C@@H](C(O2)CO)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O)O)O B281625
c1ccc(cc1)COc2cc(c3c(=O)cc(oc3c2)c4ccc(c(c4)O)O)O B281650
c1ccc(cc1)CC(C(=O)O)C(=O)O B281690
c1ccc(cc1)CO[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O B282000
c1ccc(cc1)CO[C@H]2[C@@H](C(O[C@@H](C2O)O)CO)O B282425
c1ccc(cc1)CO[C@H]2[C@@H](C(O[C@H](C2O)O)CO)O B282450
CN(Cc1ccccc1)CC2CCCCC2=O.Cl B285655
CCC(CO)(c1ccccc1)N(C)Cc2ccccc2 B285660
[2H]C([2H])([2H])C([2H])([2H])C(CO)(c1ccccc1)N(C)Cc2ccccc2 B285662
CN(Cc1ccccc1)C(=N)NC(=N)N.Cl B285670
CN(Cc1ccccc1)C[C@H]2CCCC[C@@]2(c3cccc(c3)OC)O.Cl B285675
CC1CN(CCC1=O)Cc2ccccc2 B285680
[2H]C([2H])([2H])C(CC)C(=O)OCc1ccccc1 B285687
CC1(O[C@@H]2CO[C@@]([C@@H]([C@@H]2O1)OCc3ccccc3)(CO)O)C B285690
CN(CCCCN)Cc1ccccc1 B285695
[2H]C([2H])([2H])[C@H](CCCC)C(=O)N1[C@H](COC1=O)Cc2ccccc2 B285702
CC1C(=O)CCN1Cc2ccccc2 B285705
CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@H]3C(=O)OC B285710
CCC(=O)N(c1ccccc1)[C@@H]2CCN(C[C@@H]2C)Cc3ccccc3 B285715
[2H]C([2H])([2H])CC(=O)N(c1ccccc1)[C@@H]2CCN(C[C@@H]2C)Cc3ccccc3 B285717
COC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)[NH3+].C(=O)(C(F)(F)F)[O-] B285720
Cn1c(=O)n(c(=O)s1)Cc2ccccc2 B285725
c1ccc(cc1)CN(CC(C2CCc3cc(ccc3O2)F)O)CC(C4CCc5cc(ccc5O4)F)O B285730
[2H]C([2H])(C(C1CCc2cc(ccc2O1)F)O)N(Cc3ccccc3)C([2H])([2H])C(C4CCc5cc(ccc5O4)F)O B285732
c1ccc(cc1)CN(C[C@@H]([C@H]2CCc3cc(ccc3O2)F)O)C[C@@H]([C@@H]4CCc5cc(ccc5O4)F)O B285733
c1ccc(cc1)CN2c3ccc(cc3C(=C(C#N)C#N)C2=O)S(=O)(=O)N4CCSCC4 B285735
CC(=O)C[C@@H]1[C@H](CCCN1C(=O)OCc2ccccc2)O B285740
c1ccc(cc1)COC(=O)NC(CNOCc2ccccc2)C(=O)O B285745
CC(=O)Nc1ccc(c(c1)SC)OCc2ccccc2 B285750
[2H]C([2H])([2H])Sc1cc(ccc1OCc2ccccc2)NC(=O)C B285752
c1ccc(cc1)CC[C@H](C(=O)O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@@H]3C(=O)O B285755
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@@H]3C(=O)O)[2H])[2H] B285757
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@H]3C(=O)OC B285760
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N3CCC[C@H]3C(=O)OC)[2H])[2H] B285762
c1ccc(cc1)CN2[C@@H](COCC2=O)C(=O)O B285765
CCC1(C(=O)N(C(=O)N1)Cc2ccccc2)c3ccccc3 B285770
COc1ccc(cc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B287660
c1ccc(cc1)COc2ccc(c(c2)N)N B287665
c1ccc(cc1)COc2ccc(cc2)CCO B287670
CC(C)C(=O)CC(=O)Nc1ccccc1OCc2ccccc2 B287675
CC[C@@]1(C(=O)N(C(=O)N1)Cc2ccccc2)c3ccccc3 B285775
CCC1(C(=O)N(C(=O)N1)Cc2ccccc2)c3ccccc3 B285776
c1ccc(cc1)CCC(C(=O)OCc2ccccc2)OS(=O)(=O)c3ccc(cc3)[N+](=O)[O-] B285780
c1ccc(cc1)CO[C@H]2[C@H]([C@@H]([C@](CO2)(C[N+](=O)[O-])O)O)O B285785
c1ccc(cc1)COC(=O)N2CCC34CCCCC3C2Cc5c4cc(cc5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O B285790
[2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3C(=O)OCc5ccccc5)[2H])O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)[2H] B285792
c1ccc(cc1)CN2CCN(CC2)N=O B285795
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)C45CCCCC4C(C3)N(CC5)C(=O)OCc6ccccc6)C(=O)OC)OC(=O)C B285800
[2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3C(=O)OCc5ccccc5)[2H])O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)[2H] B285802
CCC(=O)N(c1ccccc1)C2(CCN(CC2)Cc3ccccc3)COC B285805
[2H]C([2H])([2H])OCC1(CCN(CC1)Cc2ccccc2)N(c3ccccc3)C(=O)CC B285807
c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(=O)C3 B285810
c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(=NO)C3 B285815
c1ccc(cc1)C[C@@H]2COC(=O)N2 B285820
c1ccc(cc1)C[C@H]2COC(=O)N2 B285825
c1ccc(cc1)CN2c3ccccc3CC(=O)c4c2cccc4 B285830
c1ccc(cc1)COCC=O B285835
[2H]c1cc(c(c(c1NC(=O)C([2H])([2H])[2H])[2H])S)OCc2ccccc2 B285842
CC(=O)c1cccc(c1)OCc2ccccc2 B285845
c1ccc(cc1)COC(=O)N[C@@H](CNOCc2ccccc2)C(=O)O B285850
c1ccc(cc1)COCC(C#N)N B285855
c1ccc(cc1)COc2ccccc2N B285860
CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cn1)OCc2ccccc2 B285865
c1ccc(cc1)COC(=O)NC2CCNCC2.Cl B285870
c1ccc(cc1)COc2ccc(cc2)C=O B285876
c1ccc(cc1)COc2ccc(cc2)[13CH]=O B285877
c1ccc(cc1)COc2ccc(cc2)[13CH2]O B285878
c1ccc(cc1)COc2ccc(cc2)Br B285879
CC(=O)Nc1ccc(c(c1)SCC(C(=O)OC)NC(=O)OCc2ccccc2)OCc3ccccc3 B285880
c1ccc(cc1)COc2ccc(c(c2)Br)[N+](=O)[O-] B285883
c1ccc(cc1)COC(=O)NCCCCCC(=O)O B285885
COC(=O)c1ccccc1Sc2cc(ccc2N)OCc3ccccc3 B285886
COC(=O)c1ccccc1Sc2cc(ccc2[N+](=O)[O-])OCc3ccccc3 B285888
CC1[C@H]([C@@H](C([C@H](O1)NC(=O)CCCCCNC(=O)OCc2ccccc2)O)O)O B285890
c1ccc(cc1)COC(=O)NCCCCCC(=O)N[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O B285895
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C B285896
CCCC[N+](CCCC)(CCCC)CCCC.C[C@H]1[C@@H](C(=O)N1S(=O)(=O)[O-])NC(=O)OCc2ccccc2 B285897
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OCc4ccccc4 B285898
c1ccc(cc1)COC(=O)[C@H](CCl)NC(=O)OCc2ccccc2 B285899
COC(=O)[C@H](CCl)NC(=O)OCc1ccccc1 B285901
c1ccc(cc1)COC(=O)N[C@@H]([C@@H](c2ccc3c(c2)OCO3)O)C(=O)O B285903
c1ccc(cc1)COc2ccc3c(c2)Sc4ccccc4C(=O)N3 B285913
c1ccc(cc1)COC(=O)NO B285915
c1ccc(cc1)COC(=O)N2COC(=O)[C@@H]2CCC(=O)O B285918
CC(=O)CC[C@H]1C(=O)OCN1C(=O)OCc2ccccc2 B285920
C[C@H]([C@@H](C(=O)N)NC(=O)OCc1ccccc1)O B285923
C[C@H]([C@@H](C(=O)N)NC(=O)OCc1ccccc1)OS(=O)(=O)C B285924
c1ccc(cc1)COC(=O)N[C@@H](C(=O)c2c[nH]c3c2cccc3)C(=O)N B285925
c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)c3c[nH]c4c3cc(cc4)Br B285927
COc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285928
COc1cc(ccc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285929
COc1ccc(cc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285930
COc1ccc(cc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B285931
c1ccc(cc1)COc2ccccc2OCCNCC(COc3cccc4c3c5ccccc5[nH]4)O B285932
c1ccc(cc1)COc2ccccc2OCCNC[C@H](COc3cccc4c3c5ccccc5[nH]4)O B285933
c1ccc(cc1)COc2nc3c(=O)[nH]c(nc3n2[C@H]4CC([C@H](O4)CO)O)N B285935
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Sc4c2cccc4)OCc5ccccc5)([2H])[2H])[2H] B285937
c1ccc(cc1)COc2ccc3c(c2)Sc4ccccc4C(=N3)N5CCNCC5 B285938
Cc1cnc(c(c1OC)C)CSc2[nH]c3ccc(cc3n2)OCc4ccccc4 B285940
[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OCc2ccccc2 B285943
c1ccc(cc1)COc2cccc3c2cc[nH]3 B285944
c1ccc(cc1)COc2ccc3cc[nH]c3c2 B285945
c1ccc(cc1)COc2cccc3c2[nH]cc3 B285946
c1ccc(cc1)COc2ccc3c(c2)c(c[nH]3)C=O B285948
c1ccc(cc1)COc2ccc3c(c2)cc[nH]3 B285949
c1ccc(cc1)COc2ccc3c(c2)[nH]cc3CC#N B285950
c1ccc(cc1)COc2cccc3c2c(c[nH]3)CC#N B285955
CN(C)Cc1c[nH]c2c1c(ccc2)OCc3ccccc3 B285958
CN(C)Cc1c[nH]c2c1cccc2OCc3ccccc3 B285961
c1ccc(cc1)COc2ccc3c(c2)[nH]cc3CCN B285965
C.c1ccc(cc1)COc2cccc3c2c(c[nH]3)CCN B285968
CCOC(=O)C(Cc1c[nH]c2c1cccc2OCc3ccccc3)(C(=O)OCC)NC=O B285970
c1ccc(cc1)COc2ccc3c(c2)nc([nH]3)S B285975
COc1ccc(cc1OCc2ccccc2)C=O B285980
COc1cc(ccc1OCc2ccccc2)C=O B285981
COc1cc(ccc1C=O)OCc2ccccc2 B285983
COc1cc(c(cc1OCc2ccccc2)[N+](=O)[O-])/C=C/[N+](=O)[O-] B285985
COc1cc2c(cc1OCc3ccccc3)CCC2=O B285988
COc1cc2c(cc1OCc3ccccc3)C(=O)CC2 B285989
COc1cc2c(cc[nH]2)cc1OCc3ccccc3 B285990
COc1cc2cc[nH]c2cc1OCc3ccccc3 B285995
COc1cc2cc([nH]c2cc1OCc3ccccc3)C(=O)O B286000
C[C@@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)OCc2ccccc2 B286005
C[C@@H](C(=O)OC(C)(C)C)N[C@@H](CCc1ccccc1)C(=O)OCc2ccccc2 B286010
C[C@H](C(=O)OC(C)(C)C)N[C@@H](CCc1ccccc1)C(=O)OCc2ccccc2 B286015
CCOC(=O)Oc1cc(ccc1OCc2ccccc2)CC3=NCCc4c3cc(c(c4)OC)OCc5ccccc5.Cl B286020
c1ccc(cc1)CCC(=O)C(=O)OCc2ccccc2 B286025
COc1cc2c(cc1OCc3ccccc3)C(NCC2)Cc4ccc(c(c4)O)OCc5ccccc5 B286030
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3 B286035
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3)[2H])[2H] B286037
CCC(=O)NCC[C@@H]1CCc2c1c(c(c(c2)Br)OCc3ccccc3)CCO B286040
c1ccc(cc1)COc2ccc(cc2Cl)Br B286045
c1ccc(cc1)COCC(COCc2ccccc2)OCn3cnc4c3nc(nc4Cl)N B286050
[2H]C([2H])(C([2H])(C([2H])([2H])OCc1ccccc1)OCn2cnc3c2nc(nc3Cl)N)OCc4ccccc4 B286052
c1ccc(cc1)COC(=O)N[C@H](CC(=O)N2CCOCC2)CO B286055
c1ccc(cc1)COC(=O)N[C@H](CC(=O)N2CCOCC2)CSc3ccccc3 B286060
CC(C)(CNC(=O)OCc1ccccc1)C(=O)N B286065
[2H]C([2H])([2H])C(CNC(=O)OCc1ccccc1)(C(=O)N)C([2H])([2H])[2H] B286067
CC(C)[C@@H](Cc1ccc(c(c1)OCCCOC)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)NC(=O)OCc2ccccc2 B286070
c1ccc(cc1)COC(=O)NCCCC(=O)O B286075
c1ccc(cc1)COC(=O)[15NH][13CH2][13CH2]O B286082
c1ccc(cc1)COc2cccc(c2)CCl B286085
c1ccc(cc1)COC(=O)NCC2[C@H](C(C([C@H](O2)OC3[C@H](C[C@H]([C@@H](C3O)O[C@@H]4C([C@H]([C@@H](C(O4)CO)O)N)O)N)N)O)O)O B286090
CC(C)(C)OC(=O)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1.C1CCC(CC1)NC2CCCCC2 B286095
[2H]C([2H])(C([2H])(C([2H])([2H])OCc1ccccc1)OCn2cnc3c2nc([nH]c3=O)N)OCc4ccccc4 B286102
c1ccc(cc1)COc2ccc(c3c2[nH]c(=O)cc3)[C@H](CBr)O B286110
c1ccc(cc1)COc2ccc(c3c2[nH]c(=O)cc3)C(=O)CBr B286115
c1ccc(cc1)COc2cc(ccc2O)Br B286120
c1ccc(cc1)COc2ccccc2Br B286125
c1ccc(cc1)COC(=O)N[C@@H](CO)C(=O)NOCc2ccccc2 B286130
c1ccc(cc1)COC(=O)NC(CO)C(=O)NOCc2ccccc2 B286135
c1ccc(cc1)COc2ccc(cc2)/N=N/c3ccccc3 B286140
c1ccc(cc1)COc2ccc(cc2O)CCNC(=O)OCc3ccccc3 B286145
CCCCCCCCc1ccc(cc1)CC[C@](COC(=O)C)(COP(=O)(OCc2ccccc2)OCc3ccccc3)NC(=O)OCc4ccccc4 B286150
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5OCc6ccccc6 B286155
c1ccc(cc1)COC(=O)N2[C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(c4ccccc4)(c5ccccc5)Cl B286160
c1ccc(cc1)COc2ccc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)CCNC(=O)OCc4ccccc4.[Na+] B286165
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(ccc2OCc3ccccc3)CCNC(=O)OCc4ccccc4)C(=O)OC)OC(=O)C B286170
c1ccc(cc1)COC(=O)N2CCC(CC2)(c3ccc(cc3)Cl)O B286175
[2H]c1c(c(c(c(c1C2(CCN(CC2)C(=O)OCc3ccccc3)O)[2H])[2H])Cl)[2H] B286177
c1ccc(cc1)COC(=O)N2CCC34CCCCC3C2Cc5c4cc(cc5)O B286180
[2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3C(=O)OCc5ccccc5)[2H])O)[2H] B286182
COc1cc(ccc1OCc2ccccc2)CO B286185
c1ccc(cc1)COc2cccc(c2)CO B286190
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)CCCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C B286195
CC(C)[C@H]1C(=O)OC(=O)N1C(=O)OCc2ccccc2 B286200
c1ccc(cc1)COC(=O)N[C@@H](CCCC(=O)N)C(=O)O B286210
c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N B286220
c1ccc(cc1)COC(=O)N2[C@@H]3CC[C@H]2C[C@H](C3)OC(=O)C(c4ccccc4)(c5ccccc5)O B286230
c1ccc(cc1)COC(=O)N2[C@@H]3CC[C@H]2C[C@H](C3)O B286240
CSc1ncc(c(n1)Cl)OCc2ccccc2 B286250
c1ccc(cc1)COC(=O)N2CC([C@H]([C@H]3C2COC(O3)c4ccccc4)O)O B286255
CC(=O)O[C@H]1CN([C@@H]2COC(O[C@H]2[C@@H]1OC(=O)C)c3ccccc3)C(=O)OCc4ccccc4 B286260
c1ccc(cc1)COC(=O)N2CCCC[C@@H]2C=O B286270
c1ccc(cc1)COc2ccc(cc2Cl)N3CCNCC3 B286280
c1ccc(cc1)COP(Cl)Cl B286290
c1ccc(cc1)COC(=O)N2CCCC[C@@H]2C(=O)O B286300
c1ccc(cc1)COC(=O)NCCc2c[nH]c3c2cc(cc3)OS(=O)(=O)O B286305
c1ccc(cc1)COc2ccc(cc2)[C@@H]3C(C(=O)N3c4ccc(cc4)F)CC[C@@H](c5ccc(cc5)F)O B286310
CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OCc3ccccc3 B286315
CC(C)[C@H](C(=O)OC)NC(=O)OCc1ccccc1 B286320
c1ccc(cc1)COC2CCC(CC2)C(=O)C3CCCCC3 B286325
c1ccc(cc1)COC(=O)N2CCCC[C@@H]2CO B286330
c1ccc(cc1)COC2CCC(CC2)C#N B286335
c1ccc(cc1)COC(=O)N2CCC(=O)CC2 B286340
c1ccc(cc1)COC2CCC(=O)CC2 B286345
Cc1ccc(cc1)S(=O)(=O)Oc2cc(ccc2OCc3ccccc3)CCl B286350
c1ccc(cc1)COc2ccc(cc2O)C=O B286355
CC1=CC=C(CC1)S(=O)(=O)Oc2cc(ccc2OCc3ccccc3)C=O B286360
Cc1ccc(cc1)S(=O)(=O)Oc2cc(ccc2OCc3ccccc3)CO B286365
c1ccc(cc1)COc2ccc(cc2O)CC(=O)O B286370
c1ccc(cc1)COc2c(cc(cc2O)C(=O)OCc3ccccc3)O B286375
CN(C)CCOc1ccc(cc1)/C(=C(/CCO)\c2ccccc2)/c3ccc(cc3)OCc4ccccc4 B286380
CNCCc1ccc(c(c1)OC)OCc2ccccc2.Cl B286385
c1ccc(cc1)COC2CCC(CC2)O B286390
CN(C)C(=O)C(=O)c1c[nH]c2c1c(ccc2)OCc3ccccc3 B286395
COc1cc(c(cc1OCc2ccccc2)[N+](=O)[O-])CC(=O)C(=O)O B286400
c1ccc(cc1)COc2cc(ccc2O)I B286405
COc1ccc(cc1OCc2ccccc2)C(C[N+](=O)[O-])OC B286410
COc1ccc(cc1OCc2ccccc2)CC(=O)O B286415
C[C@@H](c1ccccc1)NC(=O)Cc2ccc(c(c2)OC)OCc3ccccc3 B286425
C[C@@H](c1ccccc1)N(CCc2ccc(c(c2)OC)OCc3ccccc3)C(=O)Cc4ccc(c(c4)OCc5ccccc5)OC B286430
CN(Cc1ccccc1)CC(=O)c2ccc(c(c2)OC)OCc3ccccc3 B286440
COc1ccc(cc1OCc2ccccc2)/C=C/[N+](=O)[O-] B286450
COc1cc(ccc1OCc2ccccc2)/C=C/[N+](=O)[O-] B286460
Cc1cc(c(cc1[N+](=O)[O-])OCc2ccccc2)OC B286500
CCOC(=O)Oc1cc(ccc1OCc2ccccc2)CC(=O)NCCc3ccc(c(c3)OC)OCc4ccccc4 B286505
COc1cc(ccc1OCc2ccccc2)CCNC(=O)Cc3ccc(c(c3)O)OCc4ccccc4 B286510
COc1cc(ccc1OCc2ccccc2)O B286515
COc1ccc(cc1OCc2ccccc2)C(=O)CBr B286520
COc1cc(ccc1OCCN)OCc2ccccc2 B286530
COc1ccc(cc1OCCN)OCc2ccccc2 B286533
COc1cc(ccc1OCc2ccccc2)C(CN)O B286535
CC(=O)c1ccc(c(c1)OCc2ccccc2)OC B286545
[2H]C([2H])([2H])N1CCC(CC1)c2cn(c3c2cc(cc3)CCS(=O)(=O)NC)Cc4ccccc4 B286552
Cc1ccc(c(c1)OC)OCc2ccccc2 B286560
COc1ccc(cc1OCc2ccccc2)CC(=O)N3CCCC3 B286570
COc1cc(ccc1OCc2ccccc2)CC(=O)N3CCCC3 B286575
CCOC(=O)C(Cc1ccc(c(c1)OC)OCc2ccccc2)CC(=O)O B286585
CCOC(=O)/C(=C/c1ccc(c(c1)OC)OCc2ccccc2)/CC(=O)O B286595
CC(C)[C@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1COCc2ccccc2 B286700
CCCCC[C@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1COCc2ccccc2 B286750
CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1COCc2ccccc2 B286760
CCCCC[C@H](CC(=O)ON1C(=O)CCC1=O)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2COCc3ccccc3 B286765
CS(=O)(=O)c1ncc(cn1)OCc2ccccc2 B286800
CSc1ncc(cn1)OCc2ccccc2 B286845
CSc1ncc(c(n1)O)OCc2ccccc2 B286855
CCCCCCCCCCC[C@H](CC(=O)O)OCc1ccccc1 B286875
CCCCCCCCCCC[C@H](CC(=O)OC)OCc1ccccc1 B286885
c1ccc(cc1)COc2cccc3c2cccc3 B286950
CC(=O)c1ccc(c(c1)[N+](=O)[O-])OCc2ccccc2 B287010
c1ccc(cc1)COc2ccc(c(c2)[N+](=O)[O-])N B287065
c1ccc(cc1)COc2ccc(cc2S)[N+](=O)[O-] B287125
c1ccc(cc1)COc2ccc(cc2C(=O)OCc3ccccc3)[N+](=O)[O-] B287145
c1ccc(cc1)CO[13c]2[13cH][13cH][13c]([13cH][13c]2C(=O)OCc3ccccc3)[N+](=O)[O-] B287147
c1ccc(cc1)COc2c(cccc2[N+](=O)[O-])C(=O)OCc3ccccc3 B287150
c1ccc(cc1)CO[13c]2[13c]([13cH][13cH][13cH][13c]2[N+](=O)[O-])C(=O)OCc3ccccc3 B287152
c1ccc(cc1)COc2ccc(c(c2)[N+](=O)[O-])O B287155
c1ccc(cc1)COc2ccc(cc2[N+](=O)[O-])[C@@H](CBr)O B287160
c1ccc(cc1)COc2ccc(cc2[N+](=O)[O-])C3CO3 B287200
Cc1ccc(cc1[N+](=O)[O-])OCc2ccccc2 B287250
Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3ccc(cc3n2)OCc4ccccc4 B287450
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)c4ccccc4)CC=C5[C@@]3(CCC(=O)O5)C B287480
c1ccc(cc1)COC(=O)N[C@H]2CN(C2=O)OCc3ccccc3 B287500
c1ccc(cc1)COC(=O)NC2CN(C2=O)OCc3ccccc3 B287505
CCCCC1C(=O)N(N(C1=O)c2ccc(cc2)OCc3ccccc3)c4ccccc4 B287600
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1C(=O)N(N(C1=O)c2ccc(cc2)OCc3ccccc3)c4ccccc4 B287602
c1ccc(cc1)COc2ccccc2OCCN B287615
Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)OCc5ccccc5)NC(=O)C6CCC(CC6)(F)F)C(C)C B287620
Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)OCc5ccccc5)N)C(C)C B287625
CC(C)C(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccccc2OCc3ccccc3 B287630
[2H]c1c(c(c(c(c1[2H])[2H])/C=C(/C(=O)C(C)C)\C(=O)Nc2ccccc2OCc3ccccc3)[2H])[2H] B287631
CC(C)C(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)OCc3ccccc3 B287632
[2H]c1c(c(c(c(c1[2H])[2H])/C=C(/C(=O)C(C)C)\C(=O)Nc2ccc(cc2)OCc3ccccc3)[2H])[2H] B287633
c1ccc(cc1)COc2ccc(c(c2)/C=C/c3ccc(c(c3)C(=O)O)OCc4ccccc4)OCc5ccccc5 B287635
c1ccc(cc1)COc2ccc(cc2)/C=C/C(=O)c3c(cc(cc3OCc4ccccc4)OCc5ccccc5)O B287640
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5OCc6ccccc6 B287645
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccccc5OCc6ccccc6)[2H])[2H] B287647
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)OCc6ccccc6 B287650
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccc(cc5)OCc6ccccc6)[2H])[2H] B287652
COc1cc(ccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)OCc5ccccc5 B287658
CC(C)C(=O)CC(=O)Nc1ccc(cc1)OCc2ccccc2 B287680
CC(c1cccc(c1)OCc2ccccc2)N(C)C B287685
[2H]C([2H])([2H])N(C(C)c1cccc(c1)OCc2ccccc2)C([2H])([2H])[2H] B287687
CC(c1cccc(c1)OCc2ccccc2)NC B287690
[2H]C([2H])([2H])NC(C)c1cccc(c1)OCc2ccccc2 B287692
CCOC(=O)N(C)C(C)c1cccc(c1)OCc2ccccc2 B287695
[2H]C([2H])([2H])N(C(C)c1cccc(c1)OCc2ccccc2)C(=O)OCC B287697
C[15N]1[13CH2][13CH](OC1=O)c2ccc(cc2)OCc3ccccc3 B287702
CCC(c1cccc(c1)OCc2ccccc2)O B287705
Cc1ccc(=O)n(c1)c2ccc(cc2)OCc3ccccc3 B287710
c1ccc(cc1)COc2ccc(cc2)C3CNC(=O)O3 B287715
c1ccc(cc1)COc2ccc(cc2)[13CH]3[13CH2][15NH]C(=O)O3 B287717
c1ccc(cc1)COc2ccc(cc2)n3ccccc3=O B287720
C[C@@H](CO)OCc1ccccc1 B287723
C[C@@H](C=O)OCc1ccccc1 B287725
c1ccc(cc1)COCCC(=O)O B287730
c1ccc(cc1)COC(CO)CO B287735
B(c1ccccc1OCc2ccccc2)(O)O B287740
c1ccc(cc1)COc2cnc(nc2)N3CCNCC3 B287750
CCC(=O)c1cccc(c1)OCc2ccccc2 B287785
C[C@@H](Cn1cnc2c1ncnc2NC(=O)c3ccccc3)OC(=O)c4ccccc4 B287975
c1ccc(cc1)COc2cc3c(cc2F)n(cc(c3=O)C(=O)OCc4ccccc4)C5CC5 B287985
C[C@@H](/C=N/NC=O)OCc1ccccc1 B288000
CN(CCO)c1ccc(cn1)OCc2ccccc2 B288100
[2H]C([2H])(C([2H])([2H])O)N(C)c1ccc(cn1)OCc2ccccc2 B288102
CN(CCOc1cccc(c1)C=O)c2ccc(cn2)OCc3ccccc3 B288150
CN(CCOc1cccc(c1)/C=C\2/C(=O)NC(=O)S2)c3ccc(cn3)OCc4ccccc4 B288155
CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)OCc4ccccc4 B288160
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)CC2C(=O)NC(=O)S2)N(C)c3ccc(cn3)OCc4ccccc4 B288162
c1ccc(cc1)COc2cccc(c2)CC#N B288180
CC(C)(C=O)c1cccc(c1)OCc2ccccc2 B288200
CC(C)(C#N)c1cccc(c1)OCc2ccccc2 B288205
c1ccc(cc1)COc2ccc(cc2OS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+] B288250
COC(=O)c1ccc(c(c1)OS(=O)(=O)[O-])OCc2ccccc2.[Na+] B288255
C[N+](C)(C)Cc1c[nH]c2c1c(ccc2)OCc3ccccc3.[I-] B288400
c1ccc(cc1)COc2cnc(nc2O)S B288450
CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)OCc4ccccc4 B288470
c1ccc(cc1)COc2cccc3c2[nH]cc3CC(C(=O)O)N B288500
CC(=O)CC(c1ccccc1)c2c(c3cccc(c3oc2=O)OCc4ccccc4)O B288550
CC(=O)CC(c1ccccc1)c2c(c3cc(ccc3oc2=O)OCc4ccccc4)O B288560
CC(=O)CC(c1ccccc1)c2c(c3ccc(cc3oc2=O)OCc4ccccc4)O B288570
c1ccc(cc1)COC(=O)c2ccc(cc2)O B288575
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])OC(=O)c2ccc(cc2)O)[2H])[2H] B288577
c1ccc(cc1)CN2CCC(CC2)(CO)Nc3ccccc3 B288580
c1ccc(cc1)CN2CC[C@H]([C@@H](C2)COc3ccc4c(c3)OCO4)c5ccc(cc5)F B288585
[2H]C1(C[C@H]([C@@H](CN1Cc2ccccc2)C([2H])([2H])Oc3ccc4c(c3)OCO4)c5ccc(cc5)F)[2H] B288587
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)[O-])[2H])[2H].[K+] B288600
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C.[K+] B288601
COCC1(CCN(CC1)Cc2ccccc2)Nc3ccccc3 B288605
[2H]C([2H])([2H])OCC1(CCN(CC1)Cc2ccccc2)Nc3ccccc3 B288607
c1ccc(cc1)CN2CCNCC2 B288610
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2ccccc2)([2H])[2H])[2H] B288612
c1ccc(cc1)CN2CCC(CC2)O B288615
[2H]C1(CC(CC(N1Cc2ccccc2)([2H])[2H])O)[2H] B288617
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)O B315800
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)O)OCc4ccccc4)OCc5ccccc5 B315850
c1ccc(cc1)COc2cc(cc(c2OCc3ccccc3)OCc4ccccc4)C(=O)OCc5ccccc5 B315860
c1ccc(cc1)CO[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)CO B315870
c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)O B315875
c1ccc(cc1)CO[C@H]2[C@@H]([C@H](OC([C@@H]2OCc3ccccc3)O)C(=O)OCc4ccccc4)OCc5ccccc5 B315885
c1ccc(cc1)CO[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)CO B315900
C[C@H]1[C@@H]([C@H]([C@H](C(O1)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 B315975
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OS(=O)(=O)C(F)(F)F B316050
[BH3-].CC[N+](CC)(CC)Cc1ccccc1 B316100
c1ccc(cc1)CNC(=O)C(F)(F)F B316135
C[N+](C)(C)Cc1ccccc1.[Cl-].ClI B316140
c1ccc(cc1)CSSSCc2ccccc2 B316150
CC(C)C(C(=O)OCc1ccccc1)NCc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7 B316175
c1ccc(cc1)Cc2c(c3ccccc3[nH]2)CCN B316300
c1ccc(cc1)S(=O)(=O)O.c1ccnc(c1)[C@H](c2ccc(cc2)Cl)OC3CCN(CC3)CCCC(=O)O B317000
[2H]C([2H])(CC(=O)O)C([2H])([2H])N1CCC(CC1)O[C@@H](c2ccc(cc2)Cl)c3ccccn3.c1ccc(cc1)S(=O)(=O)O B317002
CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1c3cccc(c3O2)CCCC(=O)[O-])O)O.[Na+] B318000
[2H]C([2H])([2H])C(CC#CC)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1c3cccc(c3O2)CCCC(=O)O)O)O B318002
COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5.[Cl-] B318150
COc1c2ccc(=O)oc2cc3c1cco3 B318500
c1cc(=O)oc2c1c(c3ccoc3c2)O B318510
[2H]C1(CN(CC(C1O)([2H])[2H])Cc2ccccc2)[2H] B288618
c1ccc(cc1)CN2CCC(CC2)C=O B288620
[2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)C=O)[2H])[2H] B288622
c1ccc(cc1)CN2CCC(=O)CC2 B288625
[2H]C1(CN(CC(C1=O)([2H])[2H])Cc2ccccc2)[2H] B288627
CN(Cc1ccccc1)CC(c2cccc(c2)O)O B288630
[2H]C([2H])([2H])N(Cc1ccccc1)CC(c2cccc(c2)O)O B288632
CN(Cc1ccccc1)CC(=O)c2cccc(c2)O.Cl B288635
c1ccc(cc1)CN2CCC[C@H]2C(=O)O B288640
c1ccc(cc1)CN2CCC[C@H]2C(=O)O.Cl B288645
CCC(=O)N1[C@H](COC1=O)Cc2ccccc2 B288650
[2H]C([2H])([2H])CC(=O)N1[C@H](COC1=O)Cc2ccccc2 B288652
c1ccc(cc1)CN2CCC[C@H](C2)O B288655
CC[C@@H]([C@H](C)OCc1ccccc1)n2c(=O)n(cn2)c3ccc(cc3)N4CCN(CC4)c5ccc(cc5)OC[C@H]6C[C@](OC6)(Cn7cncn7)c8ccc(cc8F)F B288660
[2H]c1c(c(c(c(c1n2cnn(c2=O)[C@@H](CC)[C@H](C)OCc3ccccc3)[2H])[2H])N4CCN(CC4)c5ccc(cc5)OC[C@H]6C[C@](OC6)(Cn7cncn7)c8ccc(cc8F)F)[2H] B288662
COc1cc(c(cc1OC)C(=O)O)CC(=O)CC2CCN(CC2)Cc3ccccc3 B288680
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)OCc6ccccc6)NC(=O)c7ccccc7)O)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)O)C)OC(=O)C B288690
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)OCc3ccccc3)[C@H](C(=O)O[C@H]4C[C@]5([C@H]([C@H]6[C@@]([C@H](C[C@@H]7[C@]6(CO7)OC(=O)C)O)(C(=O)[C@@H](C(=C4C)C5(C)C)OC(=O)C)C)OC(=O)c8ccccc8)O)O)[2H])[2H] B288692
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)OCc6ccccc6)NC(=O)c7ccccc7)O)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B288695
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)OCc3ccccc3)[C@H](C(=O)O[C@H]4C[C@]5([C@H]([C@H]6[C@@]([C@H](C[C@@H]7[C@]6(CO7)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)(C(=O)[C@@H](C(=C4C)C5(C)C)OC(=O)C)C)OC(=O)c8ccccc8)O)O)[2H])[2H] B288697
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5C(N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccc(cc6)OCc7ccccc7)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B288700
CCC(=O)N1[C@@H](COC1=O)Cc2ccccc2 B288705
CN(C)CCc1c[nH]c2c1c(ccc2)OCc3ccccc3 B288710
[2H]C([2H])(c1c[nH]c2c1c(ccc2)OCc3ccccc3)C([2H])([2H])N(C)C B288712
CN(C)CCc1c[nH]c2c1c(ccc2)OP(=O)(O)OCc3ccccc3 B288720
[2H]C([2H])(c1c[nH]c2c1c(ccc2)OP(=O)(O)OCc3ccccc3)C([2H])([2H])N(C)C B288722
c1ccc(cc1)Cc2ccccn2 B288740
c1ccc(cc1)COC[C@@H]2C([C@@H]([C@@H](O2)O)O)O B288800
CC(C)(C)N(Cc1ccccc1)CC(=O)c2ccc(c(c2)CO)O.Cl B289000
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N(Cc1ccccc1)CC(=O)c2ccc(c(c2)CO)O.Cl B289002
c1ccc(cc1)CN[C@@H](CO)C(=O)O B289300
COC(=O)[C@H](CO)NCc1ccccc1 B289305
Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H](CO)N.O B289325
CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)[C@@H](CSCc1ccccc1)C(=O)OC(C)(C)C)CC(=O)OC(C)(C)C B289640
CC(C)(C)OC(=O)CN[C@@H](CSCc1ccccc1)C(=O)OC(C)(C)C B289650
c1ccc(cc1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)OS(=O)(=O)O)O)O)O B289750
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CSCc1ccccc1)C(=O)O B291375
c1ccc(cc1)CC(CC(=O)O)C(=O)O B292000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCc2ccccc2)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B294000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCc2ccccc2)OC(=O)C)OC(=O)C)OC(=O)C B294450
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OCc2ccccc2)OC(=O)C)OC(=O)C B295000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OCc2ccccc2)OC(=O)C B296000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)OC(=O)C)OC(=O)C)OC(=O)C B296125
CC1/C(=N\O)/CCN1Cc2ccccc2 B297035
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)COC(=O)c7ccccc7)OCc8ccccc8)OCc9ccccc9)OCc1ccccc1 B297810
c1ccc(cc1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3OCc4ccccc4)OCc5ccccc5)OCc6ccccc6)CO)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9 B297850
c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@H]([C@H](O[C@H]3OCc4ccccc4)COCc5ccccc5)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8)OCc9ccccc9)OCc1ccccc1 B298500
COc1ccccc1OCCN(Cc2ccccc2)CC(COc3cccc4c3c5c([nH]4)CCCC5)O B299000
CC(=N)SCc1ccccc1.Cl B313250
c1ccc(cc1)CNC(=S)SC[C@@H](C(=O)O)N B315000
c1ccc(cc1)CSc2cc(ccc2C(=O)O)Cl B315030
c1ccc(cc1)CSc2cc(ccc2C(=O)Cl)Cl B315035
CC(=O)c1cc(sc1SCc2ccccc2)Cl B315050
c1ccc(cc1)CN2c3ccc(cc3C(=O)C2=O)S(=O)(=O)N4CCSCC4 B315090
[2H]C([2H])(CCCC(=O)OC)C(=O)C([2H])([2H])CSCc1ccccc1 B315122
Cc1ccc(cc1)C(=O)Cc2ccccc2 B315275
CC(=O)O[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1OC(=O)C)OCc2ccccc2)OC(=O)C)CO B315500
CC(=O)O[C@H]1[C@@H]([C@](CO[C@H]1OCc2ccccc2)(C[N+](=O)[O-])OC(=O)C)OC(=O)C B315525
COc1c(cc2c(c1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)O B318650
c1c2c(c(c(c1F)N3CCCC[C@H](C3)N)Cl)n(cc(c2=O)C(=O)O)C4CC4.Cl B319000
CC[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl B323500
[2H]C([2H])([2H])C[C@@H](C(C[C@@H](C)N(C)C)(c1ccccc1)c2ccccc2)OC(=O)C.Cl B323502
CNCCc1ccccn1.Cl B324000
CNCCc1ccccn1 B324001
Cc1c(cccc1c2ccccc2)COC(=O)[C@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl B383005
[2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)COC(=O)[C@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl)[2H])[2H] B383007
CS(=O)(=O)O.c1ccc(cc1)c2cccc(c2)CN3CCN(CC3)c4cccc5c4oc(=O)[nH]5 B383200
CCOCCn1c2ccccc2nc1C3CCN(CC3)CCc4cccc(c4)C(C)(C)C(=O)O B385000
[2H]C([2H])([2H])C(c1cccc(c1)CCN2CCC(CC2)c3nc4ccccc4n3CCOCC)(C(=O)O)C([2H])([2H])[2H] B385002
Cc1c(c([nH]c1/C=C\2/C(=C(C(=N2)O)C)C=C)CC3C(=C(C(=N3)/C=C\4/C(=C(C(=N4)O)C=C)C)C)CCC(=O)O)CCC(=O)O B385300
Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O B386400
CC(C)(C)C(C(n1cncn1)Oc2ccc(cc2)c3ccccc3)O B386500
CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCc2ccccc2)O)O)O B386800
c1cc2c(cc1OCCCCOc3ccc4c(c3)NC(=O)CC4)NC(=O)CC2 B426500
[2H]C([2H])(C([2H])([2H])C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2)C([2H])([2H])Oc3ccc4c(c3)NC(=O)CC4 B426502
c1c(cc(cc1C(=O)NCC(CO)O)[N+](=O)[O-])C(=O)NCC(CO)O B426600
C[C@]1([C@@](O[C@H]2[C@H](O1)[C@@H]([C@H]3[C@H](C2OC(=O)c4ccccc4)O[C@@]([C@](O3)(C)OC)(C)OC)OS(=O)(=O)C(F)(F)F)(C)OC)OC B427000
COc1c(cc(cc1)/C=C\2/C(=O)/C(=C/c3cc(c(cc3)OC)OC)/CCC2)OC B428200
COc1c(cc(cc1)/C=C/C(=O)/C=C/c2cc(c(cc2)OC)OC)OC B429000
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCC(CCCCNC(=O)OCC4c5ccccc5-c6c4cccc6)COC(c7ccccc7)(c8ccc(cc8)OC)c9ccc(cc9)OC B429600
CN(C)c1cccc2c1c(ccc2)N(C)C B429760
CN(C)c1ccccc1[N-]c2ccccc2N(C)C.[Cl-].[Ni+2] B429765
CN(C)CCC(CCN(C)C)(C#N)c1ccc(cc1)Cl B429800
[2H]C([2H])([2H])NCCc1ccccn1 B324002
C[N+](C)(C)CC=O.[Cl-] B325000
CCOC(C[N+](C)(C)C)OCC.[Cl-] B325050
CCOC(C[N+](C)(C)C)OCC.[I-] B325100
C[N+](C)(C)CC(=O)[O-].Cl B325150
[2H]C([2H])([2H])[N+](C)(C)CC(=O)[O-].Cl B325152
C[C@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)F)C B326995
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]\4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H](/C4=C(\C=O)/O)C)C)O)F)C B326997
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C B327000
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H]([C@@]4(C(=O)C([2H])([2H])O)O)C)C)O)F)C B327002
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B327007
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)C)O)F)C B327010
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO B327015
[2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO B327017
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O B327020
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O B327022
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C B327025
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+] B327030
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)CO)O)C)C B327035
[2H]C1=C2[C@](C=CC1=O)(C34[C@@H](CC2([2H])[2H])[C@@H]5C[C@@H]([C@@]([C@]5(CC3O4)C)(C(=O)C([2H])([2H])O)O)C)C B327037
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC(=O)C B327040
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)O B327045
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)O B327047
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)OC(=O)CC)C)C)OC(=O)CC B327050
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)OC(=O)C([2H])([2H])C([2H])([2H])[2H])C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B327052
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)C(=O)CO B327055
[2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)C(=O)CO B327057
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)OC(=O)CC B327060
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] B327062
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)OC(=O)CC B327063
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COCC B327065
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COS(=O)(=O)C B327070
CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO B327075
CC(C)NCC(COc1ccc(cc1)CCOCC2CC2)O B328000
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CCOCC2CC2)O)NC(C)C B328002
C[C@H](C[N+](C)(C)C)OC(=O)N.[Cl-] B328890
C[C@@H](C[N+](C)(C)C)OC(=O)N.[Cl-] B328895
CC(C[N+](C)(C)C)OC(=O)N.[Cl-] B328900
[2H]C([2H])([2H])[N+](CC(C)OC(=O)N)(C([2H])([2H])[2H])C([2H])([2H])[2H] B328902
CN(C)C(=N)c1ccc(cc1)C(=O)Nc2ccc(cc2C(=O)Nc3ccc(cn3)Cl)OC B329500
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O B330250
Cc1cccc(c1)OCC(CNCCc2ccc(c(c2)OC)OC)O.Cl B334500
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2(C)C)(C)C B336750
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3] B336752
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C(CCC2(C)C)(C)C B336757
CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl B336760
[2H]c1c(c(c(c(c1C(=O)NCCc2ccc(cc2)OC(C)(C)C(=O)O)[2H])[2H])Cl)[2H] B341000
C=CCN1CCc2c(sc(n2)N)CC1 B341002
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3Cn4cnc[n+]4C3)C(=O)[O-])[C@@H](C)O B371000
C[N+](C)(C)CCOC(Cc1ccccc1)c2ccccc2.[Br-] B372800
[2H]C([2H])([2H])[N+](CCOC(Cc1ccccc1)c2ccccc2)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Br-] B373500
CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B373502
[2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O)[2H] B382000
C[C@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382002
[2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)C[C@@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O)[2H] B382005
C[C@@](CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382007
[2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)C[C@](C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O)[2H] B382010
CC(CS(=O)(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B382012
[2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)CC(C)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)[2H] B382015
C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@](C)(CS(=O)(=O)c3ccc(cc3)F)C(=O)Nc4ccc(c(c4)C(F)(F)F)C#N B382017
C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@](C)(CS(=O)(=O)c3ccc(cc3)F)C(=O)Nc4ccc(c(c4)C(F)(F)F)C#N B382020
CC(CSc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382040
CC(CS(=O)c1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O B382045
CC(C)OC(=O)NNC(=O)OC(C)C B382150
Cc1ccc(cc1)[C@@]23C[C@@H]2CNC3.Cl B382240
Cc1ccc(cc1)[C@]23C[C@H]2CNC3.Cl B382245
Cc1ccc(cc1)C23CC2CNC3.Cl B382250
[2H]C1(C2(C1(CNC2([2H])[2H])c3ccc(cc3)C)[2H])[2H].Cl B382252
CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3 B382500
C[N+]1(CCc2cc3c(cc2[C@H]1[C@H]4c5ccc6c(c5C(=O)O4)OCO6)OCO3)C.[I-] B382505
C1CC2C=CC1C=C2C(=O)O B382850
COC(=O)c1cc(ccc1[N+](=O)[O-])Oc2ccc(cc2Cl)Cl B382900
Cc1c(cccc1c2ccccc2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl B383000
[2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl)[2H])[2H] B383002
[2H]C([2H])([2H])C([2H])([2H])NC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCc2ccccc2)O)O)O B386802
CCNC(=O)CCC/C=C/C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCc2ccccc2)O)O)O B386810
CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@@H](CCc2ccccc2)O)O)O B386815
c1ccc(cc1)P(c2ccccc2)c3ccc4ccccc4c3c5c6ccccc6ccc5P(c7ccccc7)c8ccccc8 B386850
c1ccc(cc1)P(c2ccccc2)c3ccc4ccccc4c3c5c6ccccc6ccc5P(c7ccccc7)c8ccccc8 B386851
c1cc(cc2c1cc(cc2)C(=O)O)c3ccc4cc(ccc4c3)C(=O)O B386900
c1ccc2c(c1)ccc3c2-c4c5ccccc5ccc4OP(=O)(O3)O B387000
c1ccc2c(c1)ccc3c2-c4c5ccccc5ccc4OP(=O)(O3)O B387005
c1cc(ncc1C(=O)O)c2ccc(cn2)C(=O)O B387150
COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O B387250
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2 B388100
COS(=O)(=S)CCNC(=O)C(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)N B388500
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O B388585
C1C[C@@H](NC1)C(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)O B388775
C[C@@H]([C@@H](c1cnc2c(n1)c(nc(n2)N)O)O)O B389020
[2H]C([2H])([2H])[C@@H]([C@@H](c1cnc2c(n1)c(nc(n2)N)O)O)O B389022
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2 B389040
[2H]C([2H])(C[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C([2H])([2H])CC(=O)O B389042
c1cc(ccc1C(=O)[O-])NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3.[Na+] B389060
C1[C@H]([C@H](C(C([C@@H]1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C[C@@H](C(O3)CNC(=O)CCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N)N B389125
CC1(C(CC=[N+]1[O-])COC(=O)CCSSCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C B389750
CS(=O)(=O)SCC(C(=O)O)NC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B390250
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCNC(=O)[C@H](CCCNC(=S)N)N)NC(=O)N2 B390300
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCN)NC(=O)N2 B390340
CNC(=O)CCCCC1C2C(CS1)NC(=O)N2 B390375
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCBr)NC(=O)N2 B390475
C1[C@H]2[C@@H]([C@@H](S1)CCCC(C(=O)O)C(=O)O)NC(=O)N2 B390600
C1[C@H]2[C@@H]([C@@H](S1)CCCC(CCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O)NC(=O)N2 B390650
c1cc2c(cc1C(=O)NCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)OC25c6ccc(cc6Oc7c5ccc(c7)O)O B390700
c1ccnc(c1)SSCCC(=O)NCCCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B390750
COc1c(ncc(n1)CCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)NS(=O)(=O)c4ccc(cc4)NC(=O)/C=C/c5ccc(s5)[N+](=O)[O-] B390950
c1cc(ccc1CC(=O)ON2C(=O)CCC2=O)OC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 B391025
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)NC(=O)N2 B391400
c1ccnc(c1)SSCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B391500
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])C(=O)NCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])NC(=O)N2.[Na+].[Na+] B392690
[2H]C([2H])(C([2H])([2H])SSCCC(=O)NC(C(=O)NCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])C(=O)NCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4.[Na+].[Na+] B392692
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])C(=O)NCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])NC(=O)N2.[Na+].[Na+] B392700
[2H]C([2H])(C([2H])([2H])SSCCC(=O)NC(C(=O)NCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])C(=O)NCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4.[Na+].[Na+] B392702
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])C(=O)NCCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])NC(=O)N2.[Na+].[Na+] B392710
[2H]C([2H])(C([2H])([2H])SSCCC(=O)NC(C(=O)NCCCC(=O)ON1C(=O)CC(C1=O)S(=O)(=O)[O-])C(=O)NCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4.[Na+].[Na+] B392712
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCCCC(=O)O)NC(=O)N2 B393875
C1[C@H]([C@H](C(C([C@@H]1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C[C@@H](C(O3)CNC(=O)CCCCCCCCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N)N B393925
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCCC(=O)O)C(=O)NCCCC(=O)O)NC(=O)N2 B394200
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCC(=O)O)C(=O)NCC(=O)O)NC(=O)N2 B394210
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCC(=O)O)C(=O)NCCC(=O)O)NC(=O)N2 B394220
CC1(O[C@@H]2[C@@H]3OCC(O3)[C@H](C2O1)OCC(CO[C@H]4C5CO[C@@H](O5)[C@H]6C4OC(O6)(C)C)NC(=O)c7cccc(c7)OCCOCCOCCOCCNC(=O)C(C(=O)NCCC(=O)O)NC(=O)CCSSCCNC(=O)CCCCC8C9C(CS8)NC(=O)N9)C B394240
c1cc(cc(c1)OCCOCCOCCOCCNC(=O)C(C(=O)NCCC(=O)O)NC(=O)CCSSCCNC(=O)CCCCC2C3C(CS2)NC(=O)N3)C(=O)NC(CO[C@H]4[C@@H](C([C@H](OC4CO)O)O)O)CO[C@H]5[C@@H](C([C@H](OC5CO)O)O)O B394245
c1cc(ccc1CCC(=O)O)OC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B394280
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)O)NC(=O)N2 B394325
CS(=O)(=O)SCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B394750
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCO)NC(=O)N2 B394855
c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O B394857
COC(=O)c1ccc(cc1OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C4(N=N4)C(F)(F)F B394858
CC1(O[C@H]2[C@@H](C3COC(C2O1)O3)OCC(COC4[C@@H]5C(C6OCC4O6)OC(O5)(C)C)NC(=O)c7ccc(cc7OCCOCCOCCNC(=O)CCCCCNC(=O)CCCCC8C9C(CS8)NC(=O)N9)C1(N=N1)C(F)(F)F)C B394860
c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)ON5C(=O)CCC5=O B394866
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCOP(=O)O)NC(=O)N2 B394870
c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)NN B394875
CC(C)OP(=O)OCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B394885
CC(C)OP(=O)(OCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)F B394900
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OP(=O)(OCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)F B394902
Cc1cc(=O)oc2c1ccc(c2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 B394925
CN1CCC([C@@H]1c2cccnc2)CNC(=O)CCCCC3[C@@H]4[C@H](CS3)NC(=O)N4 B394935
c1cc(cc2c1cc(cc2)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)O B394940
c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)[As](O)O B394970
CCSC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395000
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCBr)NC(=O)N2 B395050
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCO)NC(=O)N2 B395060
CS(=O)(=O)SCCOCCOCCOCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395075
CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395300
CC(C)(C)OC(=O)N[C@@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)NCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 B395450
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 B395670
CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395715
C1CC(=O)N(C1=O)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3 B395718
CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395725
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)NC(=O)N2 B395730
c1cc(c(cc1C2(N=N2)C(F)(F)F)OCCOCCOCCNC(=O)CCCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NC(CO[C@@H]5[C@H](OC([C@H]([C@H]5O)O)O)CO)CO[C@@H]6[C@H](OC([C@H]([C@H]6O)O)O)CO B395740
CS(=O)(=O)SCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395750
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCN)NC(=O)N2.Cl B395800
[2H]C([2H])(CN)SSC([2H])([2H])CNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B395802
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCNC(=O)[C@H](CS)N)NC(=O)N2.C(=O)(C(F)(F)F)O B395826
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCN)NC(=O)N2 B395885
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCC(=O)O)NC(=O)N2 B395940
C1C2C([C@@H](S1)CCCCC(=O)NCCCCCCNC(=O)CI)NC(=O)N2 B396025
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCN3C(=O)C=CC3=O)NC(=O)N2 B396250
c1cc(ccc1C(c2cc(ccc2O)O)NC(=O)[C@@H](CC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)OCC(=O)NCC(=O)ON6C(=O)CC(C6=O)S(=O)(=O)[O-].[Na+].[Na+] B396500
CS(=O)(=O)SCCNC(=O)CCOCNC(=O)CCCC[C@H]1C2C(CS1)NC(=O)N2 B396950
CS(=O)(=O)SCCNC(=O)CCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B397000
c1ccnc(c1)SSC[C@@H](C(=O)ON2C(=O)CCC2=O)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4 B397300
C1[C@H]([C@H](C(C([C@@H]1N)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)N)O)O)O[C@@H]3C(C[C@@H](C(O3)CNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)N)N B397750
CCCCCCCCCCCCC/C=C/[C@H](C(CO)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O B397800
CCCCCCCCCCCCC/C=C/[C@H](C(COP(=O)(O)O)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)O B397810
c1ccc(cc1)C(CCN2CCCCC2)(C3C[C@H]4C[C@@H]3C=C4)O.Cl B397825
c1ccc(c(c1)c2ccc(cc2)COC(=O)c3ccc(cc3)c4ccccc4c5n[nH]nn5)c6n[nH]nn6 B398000
c1ccc(cc1)c2ccccc2c3[nH]nnn3 B398200
CC(c1ccc(cc1)c2ccccc2)C(=O)O B399050
c1ccnc(c1)c2ccc(cn2)CC(C(=O)O)N B399200
C1CCN(CC1)C2(CCNCC2)C(=O)N B399400
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2(CCNCC2)C(=O)N)([2H])[2H])([2H])[2H])[2H] B399402
c1cc([nH]c1)c2ccc[nH]2 B399600
CC1=CC[C@H](CC1)[C@@]2(CCC(O2)C(C)(C)O)C B399800
CC(=O)NCCN(C)c1ccc2c(c1)OC3C=C(C=CC3C24c5ccccc5C(=O)O4)N(C)CCNC(=O)C B400000
CC(=O)OCC1COC(CO1)COC(=O)C B400150
CC(=O)Nc1nnc(s1)S(=O)(=O)NS(=O)(=O)c2nnc(s2)NC(=O)C B400160
CC(=O)OCCOCn1cnc2c1nc(nc2Cl)N(CN(C=O)c3nc4c(c(n3)Cl)ncn4COCCOC(=O)C)C=O B400165
CC(=O)OCC(COC(=O)C)NC(=O)c1c(c(c(c(c1I)N)I)C(=O)NC(COC(=O)C)COC(=O)C)I B400190
CC(=O)SCCS(=O)(=O)CCSC(=O)C B400275
CC(=O)NC(CCc1ccc(cc1Cl)Br)(COC(=O)C)COC(=O)C B400550
Cc1c(ncc(c1OC)COC(=O)C)COC(=O)C B400570
CCCCCCCCc1ccc(cc1)CCC(COC(=O)C)(COC(=O)C)NC(=O)C B400600
CC(=O)Oc1ccc(cc1OC(=O)C)/C=C/C(=O)O B400650
CC(=O)Oc1ccc(cc1)C(c2ccc(cc2)OC(=O)C)c3ccccn3 B400800
[2H]c1c(c(nc(c1[2H])C([2H])(c2c(c(c(c(c2[2H])[2H])OC(=O)C)[2H])[2H])c3c(c(c(c(c3[2H])[2H])OC(=O)C)[2H])[2H])[2H])[2H] B400802
COc1c(cc(cc1)c2cc(c(cc2)OC)C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)C67C[C@H]8C[C@@H](C6)C[C@@H](C7)C8 B400900
C[N+](C)(CC=C)c1ccc(cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C B401000
C=CCOC(=O)Nc1ccc2c(c1)[nH]c3cc(ccc3c2=O)NC(=O)OCC=C B401060
C=CCOC(=O)Nc1ccc2c(c1)nc3cc(ccc3c2NCCNC(=O)CCCC[C@H]4C5C(CS4)NC(=O)N5)NC(=O)OCC=C B401080
C=CCOC(=O)Nc1ccc2c(c1)nc3cc(ccc3c2Cl)NC(=O)OCC=C B401120
c1cc(ccc1C(=N)N)OCCC(CCOc2ccc(cc2)C(=N)N)O B401400
c1cc(ccc1C(=N)N)OCCC(CCOc2ccc(cc2)C(=N)N)O B401405
c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)Oc3ccc(cc3)S(=O)(=O)c4ccc(cc4)N B401500
C(CSC[C@@H](C(=O)O)N)[C@H]1C(=O)N[C@H](C(=O)N1)CCSC[C@@H](C(=O)O)N B401780
c1ccc(cc1)COc2c3c(nc(n2)NCNc4nc5c(c(n4)OCc6ccccc6)ncn5COCCO)n(cn3)COCCO B401800
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)COCCN)COCCN B402100
C(COCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O B403000
C(COCCOCCOCCOCCOCCOCCOCCN)N B403250
c1cc(oc1CN)CN B404200
C1CC(OC1CN)CN B404300
c1cc2c(ccc(c2cc1)/N=N\c3cc(c(cc3)C=Cc4c(cc(cc4)/N=N\c5c6c(c(cc5)N)cccc6)S(=O)(=O)O)S(=O)(=O)O)N B404800
c1ccc(c(c1)N)OCCOc2ccccc2N B405500
C(CN)CNCCSSCCNCCCN B405800
CC1(O[C@@H]2[C@@H](O1)C(C3CO[C@H]2O3)OCC(COC4[C@@H]5[C@@H]([C@@H]6OCC4O6)OC(O5)(C)C)N)C B406025
C1CN1CC(=O)C(=O)CN2CC2 B407500
[2H]C1(C(N1CC(=O)C(=O)CN2C(C2([2H])[2H])([2H])[2H])([2H])[2H])[2H] B407502
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5 B408500
[2H]C1(C(N(C(C(N1C(c2ccccc2)c3ccccc3)([2H])[2H])([2H])[2H])C(c4ccccc4)c5ccccc5)([2H])[2H])[2H] B408502
c1c(cc2c(c1)OCO2)/C=C/C(=O)/C=C/c3cc4c(cc3)OCO4 B410500
c1ccc(cc1)C(=O)OC[C@@H]2CC(C2COC(=O)c3ccccc3)O B410700
c1ccc(cc1)C(=O)OC[C@@H]2CC(=O)C2COC(=O)c3ccccc3 B410710
COc1cc(c(cc1OCc2ccccc2)OCc3ccccc3)C(=O)C(Cc4ccccc4)Cc5ccccc5 B410820
c1ccc(cc1)CO[C@H]2[C@@H]([C@@H]([C@H]([C@H]([C@@H]2O)O)OCc3ccccc3)O)O B410830
c1ccc(cc1)COc2ccc(cc2)c3cc(=O)c4c(o3)cc(cc4OCc5ccccc5)OCc6ccccc6 B410840
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)Oc2c(=O)c3c(cc(cc3OCc4ccccc4)OCc5ccccc5)oc2c6ccc(cc6)OCc7ccccc7)OCc8ccccc8)OC(=O)C)OC(=O)C B410860
CC(=O)C[C@@H]1[C@H](CCCN1C(=O)OCc2ccccc2)OC(=O)OCc3ccccc3 B410880
c1ccc(cc1)COc2ccc(cc2)c3c(c(=O)c4c(o3)cc(cc4OCc5ccccc5)OCc6ccccc6)O B410890
c1ccc(cc1)COC(=O)N2CCC[C@H]([C@@H]2CC(=O)Cn3cnc4cc(c(cc4c3=O)Cl)Br)OC(=O)OCc5ccccc5 B410895
c1ccc(cc1)COC(=O)N[C@@H](CCCC(=O)NC(=O)OCc2ccccc2)C(=O)O B410900
c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OCc2ccccc2 B410905
c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)OCc2ccc(cc2)[N+](=O)[O-])NC(=O)OCc3ccccc3 B410910
CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2OCc3ccccc3)NCNc4nc5c(c(n4)OCc6ccccc6)ncn5COCCOC(=O)[C@H](C(C)C)NC(=O)OCc7ccccc7)NC(=O)OCc8ccccc8 B410925
c1ccc(cc1)COc2ccc(cc2SSc3cc(ccc3OCc4ccccc4)[N+](=O)[O-])[N+](=O)[O-] B410950
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C(CO)O B411000
[2H]c1c(c(c(c(c1C(C([2H])([2H])O)O)[2H])OCc2ccccc2)OCc3ccccc3)[2H] B411002
c1ccc(cc1)COCCCCCCC(=O)CCCCCCOCc2ccccc2 B411120
C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)NC(=O)N2 B412500
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC(C(=O)c2ccc(cc2)F)O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F B412850
CN(C)[C@H](c1ccccc1)C2=C(C=CC2)P(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F.CN(C)[C@@H](c1ccccc1)C2=CCC=C2P(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4cc(cc(c4)C(F)(F)F)C(F)(F)F.[Fe] B412950
CC(C)(C)OC(=O)N(CSS(=O)(=O)C)C(=O)OC(C)(C)C B413250
CC(C)(C)OC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C B414100
CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)C=O B414120
CC(C)(C)OC(=O)[15NH]/[13C](=[15N]/C(=O)OC(C)(C)C)/n1cccn1 B414127
CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)CS(=O)C B414130
CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)CSC B414140
[2H]C1(C(N(C(C(N1C(=O)OC(C)(C)C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B414157
CC(C)(C)OC(=O)n1cc2c3c1cccc3[C@H]4C[C@H](CN([C@@H]4C2)C(=O)OC(C)(C)C)CS B414175
c1cc(c(cc1C#N)Br)OCCCOc2ccc(cc2Br)C#N B414990
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1Br)C#N)C([2H])([2H])Oc2ccc(cc2Br)C#N B414992
c1ccc2c(c1)c(c3ccccc3c2CBr)CBr B415000
CC1(C(=C(C(N1[O])(C)C)CBr)CBr)C B415070
CC(C)(C)OC(=O)NCCCCCCNC(=O)OC(C)(C)C B415110
CC(C)(C)OC(=O)n1cccc1C#Cc2ccc3ccc(nc3n2)C#Cc4cccn4C(=O)OC(C)(C)C B415130
CC(C)(C)OC(=O)CN(CCCCCCNC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C B415200
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4O[Si](C)(C)C(C)(C)C)C)O[Si](C)(C)C(C)(C)C B415210
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)O B415230
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](C[C@@H]([C@H]4[C@@H]3CC=C2C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)C B415235
C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC B415260
[2H][13C](=CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC)C)\C)[2H] B415262
[2H]C1(C(C1(C#CC2(c3cc(cc(c3NC(=O)O2)O[Si](C)(C)C(C)(C)C)Cl)C(F)(F)F)O[Si](C)(C)C(C)(C)C)([2H])[2H])[2H] B415277
CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[Si](C)(C)C(C)(C)C B415280
CC(C)(C)[Si](C)(C)NN[Si](C)(C)C(C)(C)C B415375
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B415425
CCC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415655
CC(=O)C(C)(C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415675
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415700
Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CC[C@H](C)[C@@H]([C@@H](C)C(=O)CC(C)(C)[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O B415725
Cc1nc(cs1)/C=C(\C)/[C@@H]2C/C=C(\CCC[C@@H](C([C@H](C(=O)C([C@H](CC(=O)O2)O[Si](C)(C)C(C)(C)C)(C)C)C)O[Si](C)(C)C(C)(C)C)C)/C B415780
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](C(=C)C(=O)C1)O[Si](C)(C)C(C)(C)C B415785
CC1=C(C[C@H](C[C@@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OS(=O)(=O)C(F)(F)F B415795
C[C@]12[C@H](O1)C[C@H](C[C@H]2O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415805
C[C@H](C=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B415820
Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CC(C[C@H](C)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)c2ccccc2)O[Si](C)(C)C(C)(C)C B415850
Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CCC[C@H](C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B415890
CC(C)(C)[Si](C)(C)Oc1cccc(c1)[C@H](CNC)O[Si](C)(C)C(C)(C)C B416075
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B416100
C[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B416105
[2H]C([2H])([2H])[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B416107
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)On3c4c(cccn4)nn3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B416115
CC(C)(C)OC(=O)N(c1c(cccc1[N+](=O)[O-])C(=O)OC)C(=O)OC(C)(C)C B416135
C[C@]12CC[C@@H]3c4ccc(cc4C(C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)O)OC6CCCCO6 B416155
C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)OC6CCCCO6 B416160
C[C@]12CC[C@@H]3c4ccc(cc4C(=C[C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)OCCCCCCCCCSCCCC(C(F)(F)F)(F)F)OC6CCCCO6 B416170
c1ccc2c(c1)c3c([nH]2)cccc3OCC(COc4cccc5c4c6ccccc6[nH]5)O B416500
c1ccc(c(c1)C(=O)NNC(=O)c2ccccc2C(=O)O)C(=O)O B416800
CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O B416810
c1ccc(c(c1)CC(=O)NNC(=O)Cc2ccccc2C(=O)O)C(=O)O B416820
c1cc(c(cc1C(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O)C2=C3C=C(C(=O)C=C3OC4C2C=C(C(=C4)O)Cl)Cl)C(=O)O B417200
C1CC[C@@H]([C@H](C1)NC(=O)CCl)NC(=O)CCl B418325
CN(CCNC(=O)CCl)c1ccc2c(c1)OC3C=C(C=CC3C24c5ccccc5C(=O)O4)N(C)CCNC(=O)CCl B418500
C(CNC(=O)CCl)NC(=O)CCl B418600
c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)NC(=O)Nc3ccc(cc3C(=O)c4ccccc4Cl)[N+](=O)[O-])[N+](=O)[O-])Cl B418620
c1cc(ccc1OCCCl)OCCCl B418650
c1c(c(cc(c1Br)OCCCl)Br)OCCCl B418675
C#Cc1cccc(c1)Nc2c3cc(c(cc3ncn2)OCCCl)OCCCl.Cl B418700
C(CCl)NCCCl.Cl B418800
[2H]C([2H])(CNCC([2H])([2H])Cl)Cl.Cl B418802
C(CCl)N(CCCl)P(=O)(Cl)Cl B418810
c1ccc(cc1)S(=O)(=O)N(CCCl)CCCl B418910
C(CNP(=O)(NCCCO)N(CCCl)CCCl)CO B418930
C(CCl)[C@H]1C(=O)N[C@H](C(=O)N1)CCCl B418950
CN(CCCl)CCCl.Cl B418990
[2H]C([2H])(CN(C)CC([2H])([2H])Cl)Cl.Cl B418992
Cc1ccc(cc1)S(=O)(=O)N(CCCl)CCCl B419010
CC(CCl)OC(C)CCl B419020
C(OCCl)Cl B419040
CC(C)OP(=O)(C(P(=O)(OC(C)C)OC(C)C)(Sc1ccc(cc1)Cl)Sc2ccc(cc2)Cl)OC(C)C B419075
[2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)OC(C)(C)C)OP(=O)(OCCC#N)OCCC#N B419852
CC(C)N(C(C)C)P(OCCC#N)OCCC#N B420000
C(CCCNC(=N)NC#N)CCNC(=N)NC#N B422650
c1cc(ccc1C#N)C(c2ccc(cc2)C#N)O B422850
C1CCC2(CC1)OC3C(C4C(C(C3O2)O)OC5(O4)CCCCC5)O B423250
C1CCC2(CC1)O[C@@H]3[C@@H]([C@@H]4[C@H]([C@H]([C@H]3O2)O)OC5(O4)CCCCC5)O B423255
C1CCC2(CC1)O[C@@H]3[C@H]([C@@H]4[C@H]([C@@H]([C@H]3O2)O)OC5(O4)CCCCC5)O B423260
C(COCCSC[C@@H](C(=O)O)N)OCCSC[C@@H](C(=O)O)N B425500
COc1cccc(c1)[C@@]2(CCCC[C@H]2CN)O B426100
COc1cccc(c1)[C@]2(CCCC[C@@H]2CN)O B426110
COc1cccc(c1)[C@]2(CCCC[C@@H]2CN)O.Cl B426130
Cc1cc(c(cc1N)N)Cc2cc(c(cc2N)N)C B426145
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SSN(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] B426162
C(C(CCl)OC(CCl)CCl)Cl B426200
c1c(c(cc(c1OC(=O)Oc2cc(c(cc2Cl)Cl)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-] B426210
c1cc(c(cc1Cl)Cl)OP(=O)(Oc2ccc(cc2Cl)Cl)Cl B426215
C(C(CCl)Cl)OCC(CCl)Cl B426220
CCN(CC)CCOc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OCCN(CC)CC)C(=O)c4ccccc4 B426250
CCN(CC)Cc1cc(cc(c1O)CN(CC)CC)NC(=O)C B426270
c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OC(F)F)OC(F)F B426280
CC(CC(C)(c1ccc(cc1F)F)O)(c2ccc(cc2F)F)O B426300
CCOC(=O)C=C1C[C@H](C[C@@H](C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B429805
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(=CCP(=O)(c2ccccc2)c3ccccc3)C1)O[Si](C)(C)C(C)(C)C B429810
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(C1)(C(=O)OC)O)O[Si](C)(C)C(C)(C)C B429815
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CC(C1)(CO)O)O[Si](C)(C)C(C)(C)C B429820
CC([Si](O[C@H]1[C@@H]([C@@H](C[C@@](C1)(O)C(=O)OC)O[Si](C(C)(C)C)(C)C)O)(C)C)(C)C B429825
CC([Si](O[C@H]1[C@@H]([C@@H](C[C@@](C1)(O)C(=O)OC)O[Si](C(C)(C)C)(C)C)OC(=S)n2cncc2)(C)C)(C)C B429830
CC(C)(C)C(=O)O[C@H]([C@H](C(=O)OC)OC(=O)C(C)(C)C)C(=O)O B429850
C[C@]1(CC[C@H](C=C1)C(C)(C)OC(=O)C(c2ccccc2)c3ccccc3)OC(=O)C(c4ccccc4)c5ccccc5 B430340
c1ccc(cc1)P(c2ccccc2)C3=CCC=C3.c1ccc(cc1)P(c2ccccc2)C3=CCC=C3.[Fe] B430350
[B-](F)(F)(F)F.C/C/1=C/CC/C=C(\CC1)/C.CP1([C@@H](CC[C@@H]1c2ccccc2)c3ccccc3)CCP4([C@@H](CC[C@@H]4c5ccccc5)c6ccccc6)C.[Rh] B430450
C1CSC(SC1)CC2SCCCS2 B431750
[2H]C1(SCCCS1)CC2SCCCS2 B431751
[2H]C1(SCCCS1)CC2(SCCCS2)[2H] B431752
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)O)[As]5SCCS5)(C)C)CCCCS(=O)(=O)[O-])[As]6SCCS6)C B431900
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)O)[As]5SCCS5)(C)C)CCCCS(=O)(=O)[O-])[As]6SCCS6)C B431910
c1ccc2c(c1)C(=O)NNC(=O)c3ccccc3SSc4ccccc4C(=O)NNC(=O)c5ccccc5SS2 B432175
CCOC(=O)Nc1ccc2c3ccc(cc3[n+](c(c2c1)c4ccccc4)CCCBr)NC(=O)OCC.[Br-] B433500
CCOC(=O)Nc1ccc2c3ccc(cc3[n+](c(c2c1)c4ccccc4)CCCSS(=O)(=O)C)NC(=O)OCC.[Br-] B433505
CCOC(=O)C(C)NCCCC[C@@H](C(=O)OC)NC(C)C(=O)OCC B433590
[2H]C([2H])(C[C@@H](C(=O)OC)NC(C)C(=O)OCC)C([2H])([2H])CNC(C)C(=O)OCC B433592
CCN(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)NC(=O)OCC)NC(=O)OCC.[Cl-] B433600
CCOCOc1ccc(cc1OCOCC)C=O B433670
CCOCOc1ccc(cc1OCOCC)/C=C/C(=O)c2c(cc(cc2OCOCC)OCOCC)O B433690
CCOCOc1ccc(cc1OCOCC)C2C(O2)C(=O)c3c(cc(cc3OCOCC)OCOCC)OCOCC B433700
CCOCOc1ccc(cc1OCOCC)/C=C/C(=O)c2c(cc(cc2OCOCC)OCOCC)OCOCC B433710
[2H]C([2H])([C@]12CCC3(C=C1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC56OCCO6)C)OCCO3)O B433802
[13CH3]C([13CH3])(c1ccc(cc1)O)c2ccc(cc2)O B519496
[2H]C([2H])([2H])C(c1ccc(cc1)O)(c2ccc(cc2)O)C([2H])([2H])[2H] B519497
CC(C)([13c]1[13cH][13cH][13c]([13cH][13cH]1)O)[13c]2[13cH][13cH][13c]([13cH][13cH]2)O B519498
CC(C)(c1ccc(cc1)OCC2CO2)c3ccc(cc3)OCC4CO4 B519500
[2H]C([2H])([2H])C(c1ccc(cc1)OCC2CO2)(c3ccc(cc3)OCC4CO4)C([2H])([2H])[2H] B519502
CC(C)(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)c6ccc(cc6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)OC)OC(=O)c8ccccc8)OC(=O)c9ccccc9)OC(=O)c1ccccc1 B519505
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC B433850
[2H]c1c(c(c(c(c1[2H])C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC)[2H])[2H] B433852
CS(=O)(=O)SCCN(CCSS(=O)(=O)C)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B433900
CCSC(C=O)SCC B434000
CCSCSCC B434750
C1CO[C@H]2[C@@H]1C(CO2)O B436000
C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C B438500
C[C@H](CCC(=O)N(CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)CCCNC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C B438501
C(CCCNC(=N)N)CCNC(=N)N.OS(=O)(=O)O B439400
c1c(nc(s1)NC(=N)N)CSSCc2csc(n2)NC(=N)N B439800
c1cc(ccc1C(=O)c2ccc(cc2)O)O B443800
c1ccc2c(c1)C(=Nc3ccccc3S2)N4CC[N+](CC4)(CCOCCO)CCOCCO.[Cl-] B443830
C(CO)[C@H]1C(=O)N[C@H](C(=O)N1)CCO B443850
CN(CCO)CCO B443900
c1c(nc(c(n1)CCO)CCC(=O)O)CCO B444100
C([C@H]1[C@H]([C@@H]([C@@H](N1)CO)O)O)O B445000
C1C(OCC(O1)CO)CO B445300
C1C(OC(CO1)CO)CO B445305
CCCCCCCCc1ccc(cc1)CCC(CO)(CO)NC(=O)OCc2ccccc2 B445700
C1CC(OC1CO)CO B446375
CC(=O)OCC1CCC(O1)COC(=O)C B446378
CC1([C@@H]([C@H](C(N1O)(C)C)CO)CO)C B446650
c1cc(c(cc1[N+](=O)[O-])SSc2cc(ccc2[O-])[N+](=O)[O-])[O-].[Na+].[Na+] B446750
c1ccc(cc1)C(=O)C(c2ccccc2)(c3ccc(cc3)O)c4ccc(cc4)O B447265
c1ccc(cc1)C(CO)N2CC(=O)N(CC2=O)C(CO)c3ccccc3 B447275
CCC(=C(c1ccc(cc1)O)c2ccc(cc2)O)c3ccccc3 B447320
c1cc(ccc1C2CNC(CN2)c3ccc(cc3)O)O B447350
[2H]C1(C(NC(C(N1)c2ccc(cc2)O)([2H])[2H])c3ccc(cc3)O)[2H] B447352
c1cc(ccc1C(c2ccc(cc2)O)C(Cl)(Cl)Cl)O B447400
[2H]c1c(c(c(c(c1C(c2c(c(c(c(c2[2H])[2H])O)[2H])[2H])C(Cl)(Cl)Cl)[2H])[2H])O)[2H] B447402
CCOC(=O)c1ccc(cc1)N(CC(C)O)CC(C)O B447500
[2H]c1c(c(c(c(c1C(=O)OCC)[2H])[2H])N(CC(C)O)CC(C)O)[2H] B447502
Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCN B448500
Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c5ccccc5n6c4CC(CC6)CN(C)C.Cl B448530
CC1(C(=C(C(N1[O])(C)C)CI)CI)C B448740
C1C(OCC(O1)CI)CI B448750
CC1([C@@H]([C@H](C(N1O)(C)C)CI)CI)C B448850
CC1(O[C@@H]2[C@H](O1)[C@H]([C@@H]3[C@@H]([C@H]2OCc4ccccc4)OC(O3)(C)C)OCc5ccccc5)C B451400
CC(C)N(CC[C@H](c1ccccc1)c2cc(ccc2O)C(=O)OC)C(C)C.c1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O B451420
CC(C)c1ccc(cc1C(C)C)OP(=O)(Oc2ccccc2)Oc3ccccc3 B451425
CC(C)c1cc(cc(c1)OP(=O)(Oc2ccccc2)Oc3ccccc3)C(C)C B451430
CC(C)c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3cc(cc(c3)C(C)C)C(C)C B451435
CC(C)N(C/C=C/c1ccccc1)C(C)C B451440
CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3C(C)C B451445
C(CN=C=S)COCCOCCOCCCN=C=S B451500
C(NC(=O)/C=C\C(=O)O)COCCOCCNC(=O)/C=C\C(=O)O B455000
C1=CC(=O)N(C1=O)CCCCN2C(=O)C=CC2=O B475000
C1=CC(=O)N(C1=O)CCCCCCN2C(=O)C=CC2=O B475200
C1=CC(=O)N(C1=O)COCN2C(=O)C=CC2=O B475500
C1=CC(=O)N(C1=O)CCOCCN2C(=O)C=CC2=O B476250
C1=CC(=O)N(C1=O)CCOCCOCCOCCN2C(=O)C=CC2=O B476500
C1=CC(=O)N(C1=O)CCOCCOCCN2C(=O)C=CC2=O B477050
Cc1c(c(=O)cco1)O[V](=O)Oc2c(occc2=O)C B477375
C1CC[C@@H]([C@H](C1)NC(=O)CS)NC(=O)CS B478500
C1CC[C@H]2[C@H](C1)NC(=O)CSSCC(=O)N2 B481450
c1ccc(c(c1)C(=O)NNC(=O)c2ccccc2S)S B481460
C(CS(=O)(=O)CCS)S B481825
C1CS(=O)(=O)CCSS1 B482500
CS(=O)(=O)OCCOCCOCCOCCOS(=O)(=O)C B482530
CS(=O)(=O)SCCN1CCN(CC1)CCSS(=O)(=O)C B485600
C[N+](C)(CCSS(=O)(=O)C)CCSS(=O)(=O)[CH2].[Cl-] B485850
CN(CCSS(=O)(=O)C)CCSS(=O)(=O)C B485880
CC1(C(=C(C(N1O)(C)C)CSS(=O)(=O)C)CSS(=O)(=O)C)C B485910
CC1([C@H]([C@@H](C(N1[O])(C)C)CSS(=O)(=O)C)CSS(=O)(=O)C)C B485940
CN1CCN(CC1)C2=Nc3ccccc3N=C(C2)N4CCN(CC4)C B485980
CNS(=O)(=O)CCc1ccc2c(c1)c(cn2CCS(=O)(=O)NC)c3cc[n+](cc3)C.[Cl-] B486100
CC1([C@@H]([C@H](C(N1O)(C)C)CSS(=O)(=O)C)CSS(=O)(=O)C)C B486250
COc1ccc(cc1)Cn2cc(c(=O)n(c2=O)Cc3ccc(cc3)OC)F B486700
COc1cccc(c1)C[C@@H]2COC(=O)[C@H]2Cc3cccc(c3)OC B487420
COCCc1ccc(cc1)OCC(COc2ccc(cc2)CCOC)O B487500
COCOc1ccc2ccccc2c1c3c4ccccc4ccc3OCOC B488500
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OCOC)OCOC B488750
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)C(=O)c4ccccc4 B489840
CNc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COC(c4ccccc4)(c5ccc(cc5)OC)c6ccc(cc6)OC)O B489900
CCNc1ccn(c(=O)n1)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccc(cc4)OC)c5ccc(cc5)OC)O B489910
COc1ccc(cc1)/C=C/C(=O)/C=C/c2ccc(cc2)OC B490000
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)OCCSCCO B490040
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)OCCS(=O)(=O)CCO B490050
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)C(F)(F)F B490080
CN[C@@H]1CCCC[C@@H]1NC B494800
c1cc2c(cc1/C=C/C(=O)c3ccc4c(c3)OCO4)OCO2 B495000
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CCC24C5(COCO5)OCO4)CCC6=CC(=O)C=C[C@]36C B495070
CCCc1cc2c(cc1Cc3ccc4c(c3CCC)OCO4)OCO2 B495090
CC(C)CCCCCCN(CCCCCCC(C)C)S(=O)(=O)C(F)(F)F B496000
CNS(=O)(=O)CC(c1ccc2c(c1)c(c[nH]2)C3CCN(CC3)C)c4ccc5c(c4)c(c[nH]5)C6CCN(CC6)C B496500
CSC(=C[N+](=O)[O-])SC B497200
C=C1CC[C@]2([C@H]3Cc4cc(c(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)c7cc8c9c(c7O)O[C@@H]1[C@]92CCN(C(C8)[C@@]2(CCC1=C)O)CC1CC1)O B504000
c1cc(ccc1COP(=O)(O)OCc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] B504070
c1c2c3c(c(c1c4cc5c6c(c4O)O[C@@H]7[C@]68CCN(C(C5)[C@@]8(CCC7=O)O)CC9CC9)O)O[C@@H]1[C@]33CCN([C@H](C2)[C@@]3(CCC1=O)O)CC1CC1 B504500
B1(OCC(CO1)(C)C)B2OCC(CO2)(C)C B504800
c1cc(ccc1COP(=O)(OCc2ccc(cc2)[N+](=O)[O-])Cl)[N+](=O)[O-] B505000
c1ccc(c(c1)[N+](=O)[O-])OCCOc2ccccc2[N+](=O)[O-] B505050
c1cc(ccc1Nc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] B506115
CC(C)N(C(C)C)P(OC(C)c1ccccc1[N+](=O)[O-])OC(C)c2ccccc2[N+](=O)[O-] B506150
c1ccc(c(c1)N(c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-])[N+](=O)[O-] B506250
c1ccc(cc1)N(c2ccccc2[N+](=O)[O-])c3ccccc3[N+](=O)[O-] B506275
c1ccc(cc1)N(c2ccc(cc2)[N+](=O)[O-])c3ccc(cc3)[N+](=O)[O-] B506280
c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] B507600
c1cc(ccc1NC(=O)Nc2ccc(cc2)[N+](=O)[O-])[N+](=O)[O-] B508500
[2H]c1c(c(c(c(c1NC(=O)Nc2c(c(c(c(c2[2H])[2H])[N+](=O)[O-])[2H])[2H])[2H])[2H])[N+](=O)[O-])[2H] B508502
CCOC(=O)[C@]1(CCC=C[C@H]1N)c2ccccc2 B508850
CC(C)NCC(COc1ccc(cc1)COCCOC(C)C)O.C(=C/C(=O)O)\C(=O)O B510500
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)COCCOC(C)C)O)NC(C)C B510502
CS(=O)(=O)SCCNC(=O)CN1CCN(CCN(CCN(CC1)Cc2cccc[n+]2[O-])CC(=O)NCCSS(=O)(=O)C)Cc3cccc[n+]3[O-] B512500
c1cc[n+](c(c1)CN2CCN(CCN(CCN(CC2)CC(=O)O)Cc3cccc[n+]3[O-])CC(=O)O)[O-] B512560
CCCCCCCCCCCCCCCC(=O)OCC(CCl)OC(=O)CCCCCCCCCCCCCCC B515200
[2H]C([2H])(C([2H])(C([2H])([2H])Cl)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC B515202
CCCCCCCCCCCCCC[13CH2][13C](=O)OC[13CH](CCl)O[13C](=O)[13CH2]CCCCCCCCCCCCCC B515203
C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F B516280
C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F B516300
C(COP(=O)(O)OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F B516320
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O B519495
CC(C)(c1ccc(cc1)O)c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B519510
[2H]C([2H])([2H])C(c1ccc(cc1)O)(c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C([2H])([2H])[2H] B519512
CC(C)(c1ccc(cc1)OS(=O)(=O)[O-])c2ccc(cc2)OS(=O)(=O)[O-].[Na+].[Na+] B519515
[2H]C([2H])([2H])C(c1ccc(cc1)OS(=O)(=O)[O-])(c2ccc(cc2)OS(=O)(=O)[O-])C([2H])([2H])[2H].[Na+].[Na+] B519517
CC(C)(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O B519520
CC(C)(c1ccc(cc1)OCC(CO)O)c2ccc(cc2)OCC(CO)O B519525
CC(C)(c1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3ccccc3)c4ccc(cc4)OP(=O)(Oc5ccccc5)Oc6ccccc6 B519530
CC(C)(c1ccc(cc1)O)c2ccc(cc2)OCc3ccccc3 B519535
c1cc(ccc1Cc2ccc(cc2)OCC3CO3)OCC4CO4 B519540
c1cc(ccc1Cc2ccc(cc2)OCC(CO)Cl)OCC(CO)Cl B519545
c1cc(ccc1Cc2ccc(cc2)OCC(CO)O)OCC(CO)O B519550
c1cc(ccc1Cc2ccc(cc2)O)O B519555
[2H]c1c(c(c(c(c1C([2H])([2H])c2c(c(c(c(c2[2H])[2H])O)[2H])[2H])[2H])[2H])O)[2H] B519557
CC1CC(CC(C1)(c2ccc(cc2)O)c3ccc(cc3)O)(C)C B519570
c1ccc(cc1)COc2cc(cc(c2)OCc3ccccc3)C4CO4 B521400
CC[C@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)[C@H](C(=O)N4[C@@H](COC4=O)c5ccccc5)C6(OCCO6)C B521500
CC[C@@H](CC(=O)N1[C@@H](COC1=O)c2ccccc2)c3cccc(c3)N(Cc4ccccc4)Cc5ccccc5 B521600
CC[C@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)C4=C(C[C@](OC4=O)(CCc5ccccc5)C#CC)O B522000
CC[C@H](c1cccc(c1)N(Cc2ccccc2)Cc3ccccc3)[C@@H](C(=O)C[C@](CCc4ccccc4)(C#CC)O)C(=O)N5[C@@H](COC5=O)c6ccccc6 B522100
COc1cc(ccc1)N(C/C=C/c2ccccc2)C/C=C/c3ccccc3 B522310
B1(OC(C(O1)(C)C)(C)C)CB2OC(C(O2)(C)C)(C)C B522750
B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C B522770
CCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC B523500
c1cc2ccc3cc(cc4c3c2c(c1)cc4)COCc5cc6ccc7cccc8c7c6c(c5)cc8 B525000
COc1cc(nc(n1)Oc2cccc(c2C(=O)[O-])Oc3nc(cc(n3)OC)OC)OC.[Na+] B525400
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5ccccn5)O B525800
c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)/N=N/c3cc(c(c(c3)/N=N/c4ccc(cc4)S(=O)(=O)Nc5ccccn5)O)C(=O)O B525810
c1cc(cnc1)NC(=O)Nc2cccnc2 B526000
c1cc([nH]c1)C#Cc2ccc3ccc(nc3n2)C#Cc4ccc[nH]4 B529750
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCS(=O)(=O)[O-])C(=O)O)(C)C)CCCCS(=O)(=O)[O-])C(=O)O)C.[Na+] B535140
c1cc(c(cc1)S(=O)(=O)[O-])/C=C/c2ccc(cc2)c3ccc(cc3)/C=C/c4c(cccc4)S(=O)(=O)[O-].[Na+].[Na+] B535200
CC[C@H](C(=O)O)Br B545000
C1CC(=O)N(C1=O)OC(=O)OCCS(=O)(=O)CCOC(=O)ON2C(=O)CCC2=O B585000
CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2cc(c(=O)[nH]c2=O)Br)O[Si](C)(C)C(C)(C)C B585340
CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2ccc(=O)[nH]c2=O)O[Si](C)(C)C(C)(C)C B585360
c1ccc(c(c1)c2ccccc2c3n[nH]nn3)c4n[nH]nn4 B585370
[2H]C([2H])([2H])c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C B585382
CC(=O)SCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)CSC(=O)C B585410
c1c(cc(c(c1Br)OCCOc2c(cc(cc2Br)Br)Br)Br)Br B585425
[2H]C([2H])(C([2H])([2H])Oc1c(cc(cc1Br)Br)Br)Oc2c(cc(cc2Br)Br)Br B585427
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)OC(=O)OCC(Cl)(Cl)Cl)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B585435
CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)O[Si](CC)(CC)CC)C)OC(=O)C)C)OC(=O)C B585440
CN(C)CC1CCCCC1=O.Cl B585445
[2H]C([2H])([2H])N(CC1CCCCC1=O)C([2H])([2H])[2H] B585450
CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)O)C)O[Si](CC)(CC)CC)C)OC(=O)C B585455
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O[Si](CC)(CC)CC)(C(=O)[C@@H](C5=C([C@H](C[C@@]2(C5(C)C)O)O)C)O[Si](CC)(CC)CC)C)[2H])[2H] B585457
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O[Si](CC)(CC)CC)(C(=O)[C@@H](C5=C([C@H](C[C@@]2(C5(C)C)O)O[Si](C)(C)C)C)O[Si](CC)(CC)CC)C)[2H])[2H] B585462
COc1cc(ccc1c2ccc(cc2OC)C3(N=N3)C(F)(F)F)C4(N=N4)C(F)(F)F B585465
CC[Si](CC)(CC)O[C@@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)c7ccccc7)O[Si](CC)(CC)CC)C)O)C)OC(=O)C B585470
CCP(=O)(OCC(F)(F)F)OCC(F)(F)F B585475
c1c(cc(cc1C(F)(F)F)C(F)(F)F)C2CCN2.Cl B585480
c1cc(c(cc1OCC(F)(F)F)C(=O)O)OCC(F)(F)F B585485
[2H]c1c(c(c(c(c1OCC(F)(F)F)[2H])C(=O)O)OCC(F)(F)F)[2H] B585487
c1cc(c(cc1C(F)(F)F)N)C(F)(F)F B585490
c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5[Hg+])O)[Hg+])O.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-] B585495
COc1cc(cc(c1OC)OC)[C@@H]2CO[C@H](O2)c3cc(c(c(c3)OC)OC)OC B585500
CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c2ccc(cc2)OC(=O)C(C)(C)C B586750
C[N+](C)(C)CCCCCCC[N+](C)(C)C B586975
[2H]C([2H])([2H])[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])/N=C(\C)/O[Si](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] B588502
C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C B588580
C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O B588630
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO[Si](C(C)C)(C(C)C)C(C)C)CO[Si](C(C)C)(C(C)C)C(C)C B588660
[2H]C([2H])(C([2H])(C([2H])([2H])O[Si](C(C)C)(C(C)C)C(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC)O[Si](C(C)C)(C(C)C)C(C)C B588662
c1ccc(cc1)P(c2ccccc2)c3ccccc3.c1ccc(cc1)P(c2ccccc2)c3ccccc3.[Cl-].[Cl-].[Ni+4] B588700
C(CCS(=O)(=O)[O-])COCCCCS(=O)(=O)[O-].[Na+].[Na+] B588850
CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc([nH]c2=O)NCNc3[nH]c(=O)c4c(n3)n(cn4)COCCOC(=O)[C@H](C(C)C)N)N B588950
Cc1ccc(c(c1)C)N/C=N/c2ccc(cc2C)C B591280
Cc1ccc(c(c1)C)/N=C/N(C)c2ccc(cc2C)C.Cl B591300
CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC B591600
Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3CCl)C(=O)c4cc5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)CCl B591700
Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4ccccc4)O B592490
Cc1ccc2c(c1)C(=O)[C@]3(CCN(C3=N2)c4ccccc4)O B592495
Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O B592500
Cc1ccc2c(c1)C(=O)[C@]3(CCN(C3=N2)c4ccccc4)OC(=O)c5ccccc5 B592530
*C(=O)c1csc(n1)c2csc(n2)CCNC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(c3c[nH]cn3)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)OC(=O)N)O)NC(=O)c6c(c(nc(n6)C(CC(=O)N)NCC(C(=O)N)N)N)C)O.OS(=O)(=O)O B595800
c1c(n2c(n1)COCC2)/C=C/3\[C@@H]4N(C3=O)C(=CS4)C(=O)[O-].[Na+] B595825
CCN1CCN(CC1)c2cc(c3c(n2)CCCCCC3)c4ccc(cc4)F B595850
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)c2cc(c3c(n2)CCCCCC3)c4ccc(cc4)F B595852
c1ccc(cc1)CC(=O)Nc2cccc(c2)C(=O)Nc3ccccc3C(=O)O B595870
CN1c2cc3ccoc3cc2C(C1=O)C(=O)Nc4nncs4 B595880
c1ccc(cc1)Oc2cccc(c2)CCC[C@@H](P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+] B595900
c1ccc(cc1)C[C@@H]2CN(c3ccc(cc3CN2S(=O)(=O)c4cccs4)C#N)Cc5cnc[nH]5 B596050
Cc1c(cn2c1c(ncn2)Nc3ccc4c(c3)cnn4Cc5cccc(c5)F)NC(=O)OC[C@@H]6COCCN6 B596300
[2H]C1(COC[C@H](N1)C([2H])([2H])OC(=O)Nc2cn3c(c2C)c(ncn3)Nc4ccc5c(c4)cnn5Cc6cccc(c6)F)[2H] B596302
C[C@H]1[C@@H]([C@H](CC(O1)OC(=O)C)NC(=O)OC(C)(C)C)OC(=O)C B600125
CC(OC(=O)NC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)(C)C B600250
[2H][C@@]12C(C3(C([C@@](C1([2H])[2H])(C([C@@](C2([2H])[2H])(C3([2H])[2H])[2H])([2H])[2H])[2H])([2H])[2H])NC(=O)OC(C)(C)C)([2H])[2H] B600252
[2H]C([2H])([2H])C([2H])(C(=O)O)NC(=O)OC(C)(C)C B600402
[2H]C([2H])([2H])C([2H])(C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OC(C)(C)C B600452
CC(C)(C)OC(=O)[C@H](CCCC(=O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B600700
CC(C)(C)OC(=O)N1CC(C1)N B600900
CC(C)(C)OC(=O)N[C@@H](CCN=[N+]=[N-])C(=O)OC B601100
CC(C)(C)OC(=O)N(C)c1ccc(cc1)C(=O)O B601300
CC(C)(C)OC(=O)NCCCCBr B601525
CC(C#C)NC(=O)OC(C)(C)C B601600
C[C@@H](C#C)NC(=O)OC(C)(C)C B601610
CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O B602350
CC(C)(C)OC(=O)NCCCCCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O B602575
CC(C)(C)OC(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)NCCSS(=O)(=O)C B617525
CC(C)(C)OC(=O)NC(C(=O)NCCC(=O)O)C(=O)O B617625
CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N B617670
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])[C@H](C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C#N)NC(=O)OC(C)(C)C)([2H])[2H])([2H])[2H])[2H] B617672
CC(C)(C)OC(=O)NC1CC=CC1 B617700
CC(C)(C)OC(=O)NCCCCCCCCCC(=O)O B617775
CC(C)(C)OC(=O)NCCCCCCCCCCO B617785
CC(C)(C)OC(=O)NCCCCCCCCCCBr B617825
CC(C)(C)OC(=O)NCCCCCCCCCCSS(=O)(=O)C B617875
CC(C)(C)OC(=O)N[C@@H](CCl)[C@@H](CCl)O B617960
CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)O)NC(=O)OC(C)(C)C B617990
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C(=O)OC(C)(C)C B646350
[2H]C1(C(N(C(C(N1C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B646422
CC(C)(C)OC(=O)NCCCCCCN B646500
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(CN(C)C(=O)OC(C)(C)C)C3(CCCCC3)O)C(=O)OC)OC(=O)C B646860
CC1=C2[C@H](C(=O)[C@@]3([C@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B648440
CC1=C2[C@H](C(=O)[C@@]3([C@@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B648441
C[C@H]1CN[C@@H](CN1C(=O)OC(C)(C)C)C B648450
CC(C)(C)OC(=O)N1CC([C@H]([C@@H](C1CO)O)O)O B648460
CC(C)(C)OC(=O)N[C@@H](CC(C)(C)C(=O)O)C(=O)O B648465
CCOC(=O)[C@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)c2ccccc2 B648469
CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)C)OC(=O)C B648470
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C B648475
CC[Si](CC)(CC)O[C@@H]1C[C@@H]2[C@@](CO2)(C3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@H]6[C@@H](N(C(O6)(C)C)C(=O)OC(C)(C)C)c7ccccc7)C)OC(=O)C)C)OC(=O)C B648480
CC(C)(C)OC(=O)N1CCC(CC1)C(=O)c2cccc(c2OC)OC B648485
CC1(CCN(C1C(=O)O)C(=O)OC(C)(C)C)C B648490
CC1(CCN([C@H]1C(=O)O)C(=O)OC(C)(C)C)C B648500
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C B648540
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OS(=O)(=O)C(F)(F)F)C)OC(=O)C B648550
CC(C)(C)OC(=O)NCCO B649490
CC(C)(C)OC(=O)NCCCCCCCCCCCCO B618025
CC(C)(C)OC(=O)NCCCCCCCCCCCCBr B618050
CC(C)(C)OC(=O)NCCCCCCCCCCCCSS(=O)(=O)C B618120
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H]2CO2 B618530
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H]2CO2 B618531
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H]2CO2)NC(=O)OC(C)(C)C)[2H])[2H] B618532
CC(C)(C)OC(=O)NCCOCCOCCO B618580
CC(C)(C)OC(=O)NCCOCCOCCBr B618590
CC(C)(C)OC(=O)NCCOCCOCCOc1c(cccc1C2(N=N2)C(F)(F)F)C(=O)OC B618600
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@@H](CC1)C(=O)O B618690
CC(C)(C)OC(=O)NCCN1C(=O)C=CC1=O B618750
CC(C)(C)OC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H]2CCC[C@H](C2)O B618780
CC(OC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)N[C@H]2CC[C@@H](CC2)O)(C)C B618790
C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC(CC1)C(=O)Nc2ccncc2 B618800
CC(C)(C)OC(=O)NC(CSS(=O)(=O)C)C(=O)Nc1ccc(c(c1)C(=O)O)c2c3ccc(cc3oc-4cc(=O)ccc24)O B619050
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 B619250
CC(C)(C)OC(=O)NC1(CCN(CC1)C(=O)OCC2c3ccccc3-c4c2cccc4)C(=O)O B619260
CC(C)(C)OC(=O)N[C@H]1CN(C1=O)O B619330
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSc3ccccc3)NC(=O)OC(C)(C)C)O B619410
C.CC(C)(c1ccc(cc1)OS(=O)(=O)[O-])c2ccc(cc2)OS(=O)(=O)[O-] B619525
CC(C)(C)OC(=O)NCc1ccc(cc1)N B619800
CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C B619835
CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)OC(C)C)NC(=O)OC(C)(C)C B619850
CC(C)(C)OC(=O)CN(CC(Cc1ccc(cc1)NC(=O)CONC(=O)OC(C)(C)C)N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C B620050
CC(C)(C)OC(=O)NCCCCO B620825
[2H]C([2H])([2H])Oc1ccccc1OCCNC(=O)OC(C)(C)C B620902
CC(C)(C)OC(=O)CNC(=O)C(C(=O)NCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B620920
CC(C)(C)OC(=O)NCC(c1ccc(cc1)OC)C2(CCCCC2)O B620940
CC(C)(C)OC(=O)NCC(=N)N.Cl B620960
CC(C)(C)OC(=O)N1CCC(CC1)CN B620970
CC(C(=O)CC(=O)OC)NC(=O)OC(C)(C)C B620980
CC(CCC(=O)O)NC(=O)OC(C)(C)C B621000
CC(C)(C)OC(=O)NCCCCCO B621025
CC(C)(C)OC(=O)NCCCCCBr B621075
Cc1ccc(cc1)S(=O)(=O)OCCCCCNC(=O)OC(C)(C)C B621085
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C=C B621105
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C=C)NC(=O)OC(C)(C)C)[2H])[2H] B621107
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CCCCCC(=O)Nc2ccccc2 B621110
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CN(CC(=O)O)C(=O)OC(C)(C)C B621115
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](CN(CC(=O)O)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)[2H])[2H] B621117
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N B621125
CC(C)(C)OC(=O)N[C@H]1CCCNC1 B621130
CCOC(=O)CCCCC(C(=O)C(C)NC(=O)OC(C)(C)C)C(=O)OC B621150
CC1(C=C(C(N1O)(C)C)CSC[C@H](C(=O)OC)NC(=O)OC(C)(C)C)C B621165
CC(C)(C)OC(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)OC B621180
CC(C)(C)OC(=O)NCCOCCOCCOCCBr B621210
CC(C)(C)OC(=O)NCCOCCOCCOCCO B621250
CC(C)(C)OC(=O)N1CC=CCC1c2cccnc2 B621260
C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C B621275
C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C B621280
CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C B621300
CC(C)(C)OC(=O)N1CCCC(=O)CC1 B621350
c1c(cnc(n1)N)Br B621550
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)O B624500
CC(C)(C)OC(=O)N1CC(=O)C1 B624560
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2COc3ccccc3O2 B625100
[2H]C1(C(N(C(C(N1C(=O)C2COc3ccccc3O2)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B625102
CC(C)(C)OC(=O)OC(=O)Oc1ccc(cc1)CO B625750
CC(C)(C)OC(=O)N[C@H](CSCc1ccccc1)C(=O)O B625895
CC(C)(C)OC(=O)N[C@H](CSCc1ccccc1)C(=O)OC B625900
CC(C)(C)OC(=O)OC(=O)Oc1ccc(cc1)CSS(=O)(=O)C B626250
[2H]C1(C(N(C(C(N1Cc2ccccc2)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B626302
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O B630000
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)NCCSS(=O)(=O)C B631100
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O B642500
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)NCCSS(=O)(=O)C B642700
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)ON3C(=O)CCC3=O B642770
CC(C)(C)OC(=O)NCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 B642850
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)N(CCO)CCO)C(=O)OC B643200
[2H]C([2H])(C([2H])([2H])O)N(c1ccc(cc1)C[C@H](C(=O)OC)NC(=O)OC(C)(C)C)C([2H])([2H])C([2H])([2H])O B643202
CC(C)(C)OC(=O)NCCBr B643525
[2H]C([2H])(C([2H])([2H])Br)NC(=O)OC(C)(C)C B643527
CC(C)(C)OC(=O)NCCCCCCBr B643600
CC(C)(C)OC(=O)NC(CBr)C(=O)OCC=C B643750
CC(C)(C)OC(=O)n1cccc1Br B643950
CC(C)(C)OC(=O)N1C[C@H]1[C@@H](CCl)O[Si](C)(C)C(C)(C)C B644375
C[C@H](C1CCC(CC1)CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C B644500
CC(C)(C)OC(=O)N1CC(c2c1ccc3c2cccc3)CCl B645900
CC(C)(C)OC(=O)N1CCC(CC1)C#N B646175
CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)O B646210
CC(C)(C)OC(=O)N1CCC(CC1)(C2CC2)C(=O)O B646220
CCOC(=O)C1(CCCN(C1)C(=O)OC(C)(C)C)C2CC2 B646225
CC(C)(C)OC(=O)N[C@H](CSS(=O)(=O)C)C(=O)O B646250
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)C(=O)OC(C)(C)C)n(n1)C B646280
CCN(CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C)C(=O)OC(C)(C)C B646295
[2H]C([2H])([2H])C([2H])([2H])N(CCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C)C(=O)OC(C)(C)C B646297
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)C(=O)OC(C)(C)C)Cl B646305
[2H]C1(C(N(C(C(N1c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B646307
CC1CN(CCN1C(=O)OC(C)(C)C)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O B646310
CC(C)(C)OC(=O)NCCO/N=C(\CCCCO)/c1ccc(cc1)C(F)(F)F B646320
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C(=O)OC(C)(C)C)/c3ccccc3 B646330
CC(C)(C)OC(=O)NCCOP(=O)(OCc1ccccc1)OCc2ccccc2 B649500
CC(C)(C)OC(=O)NCCN1C(=O)c2ccccc2C1=O B653430
CCN(C1CNC1)C(=O)OC(C)(C)C B653440
CCN(CCCC(C)N)C(=O)OC(C)(C)C B653450
CC(C)(C)OC(=O)NCCN B655000
CC(C)(C)OC(=O)NCCN.Cl B655001
CCN(CCN)C(=O)OC(C)(C)C B655010
[2H]C([2H])([2H])C([2H])([2H])N(CCN)C(=O)OC(C)(C)C B655012
CCN(CCCC1(OCCO1)C)C(=O)OC(C)(C)C B655320
CCC(CC)[C@@H](C(=O)O)NC(=O)OC(C)(C)C B655400
CCN(CCCC(=O)C)C(=O)OC(C)(C)C B655850
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)C(=O)OC(C)(C)C B655862
CC(C)(C)OC(=O)N[C@@H](CSC(C)(C)CCO)C(=O)O B655875
CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)C(=O)O)F B655900
[2H]C([2H])([2H])OCCCC/C(=N\OCCNC(=O)OC(C)(C)C)/c1ccc(cc1)C(F)(F)F B655917
CC(C)(C)OC(=O)NCCO/N=C(\CCCC(=O)O)/c1ccc(cc1)C(F)(F)F B655920
[2H]C([2H])([2H])Oc1cc(ccc1OCCNC(=O)OC(C)(C)C)C=O B655952
CC(C)(C)OC(=O)NCC(=O)O B656125
CC(C)(C)OC(=O)N1CC(=O)OC1=O B656130
CC(C)(C)OC(=O)n1cc(nc1)CCN B656200
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)O B656230
CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)O.C1CCC(CC1)NC2CCCCC2 B656240
CCN(CC)CC.CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)O B656250
CCOC(=O)[C@H](CCO)NC(=O)OC(C)(C)C B656255
CCOC(=O)[C@H](CCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OC(C)(C)C B656260
CCOC(=O)[C@H](CCOS(=O)(=O)c1ccc(cc1)C)NC(=O)OC(C)(C)C B656265
CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)N(CC(C=C)O)C(=O)OC(C)(C)C B656380
CC(C)(C)OC(=O)NCCCCCCO B656450
CC(C)(C)OC(=O)NCCOc1ccc(cc1OC)O B656500
[2H]C([2H])([2H])Oc1cc(ccc1OCCNC(=O)OC(C)(C)C)O B656502
CC(C)(C)OC(=O)NCCOc1cc(ccc1OC)O B656503
C[C@H](C1CCC(CC1)CO)NC(=O)OC(C)(C)C B656560
CC(C)(C)OC(=O)N1CCC(CC12CCC2)O B656600
CC(C)(C)OC(=O)N1CCC[C@@H](C1)O B656650
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CI B656685
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CI B656690
CCCCCCCCCCCCC/C=C/C1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)COP(=O)(O)OCCBr B656705
CCCCCCCCCCCCC/C=C/C1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)COP(=O)(O)OCC[N+](C)(C)C B656730
Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)OC(C)(C)C)C(C)C B656745
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)OC(C)(C)C)C)C([2H])([2H])[2H] B656747
CC(C)(C)OC(=O)N[C@@H](CCCCN)C(=O)O B656900
CC(C)(C)[C@@H](CO)NC(=O)OC(C)(C)C B656950
C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C B656955
[2H]C([2H])([2H])C([2H])(C(=O)O)N(C(=O)OC(C)(C)C)C([2H])([2H])[2H] B656957
CC(C)(C)OC(=O)N(C)CCCC(=O)c1cccnc1 B656960
CC(C)(C)OC(=O)N1CC(=C)C[C@H]1C(=O)OC B656965
CC(C)(C)OC(=O)N1CCN(CC1)C B656970
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B656972
C[C@H]1CNCCN1C(=O)OC(C)(C)C B656975
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)O B656985
CC(C)(C)OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B657010
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2C(=NCCO2)c3ccc(cc3)F B657140
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)c3ccc(cc3)F B657150
[2H]C[C@]([2H])(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)c3ccc(cc3)F B657152
[2H]CC([2H])(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)c3ccc(cc3)F B657157
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](NC(=O)CO2)c3ccc(cc3)F B657160
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)OC B657200
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)N(C)OC)NC(=O)OC(C)(C)C)[2H])[2H] B657202
CCC(C)[C@H]1COCC(=O)N1C(=O)OC(C)(C)C B657250
CC(C)(C)OC(=O)N(C)[C@@H](Cc1ccc(cc1)O)C(=O)N2CCN(CC2)c3ccccc3 B657920
CC(C)(C)OC(=O)Nc1ccc2ccccc2c1 B657980
CC(C)(C)OC(=O)N[C@H](CCCNC(=N)N[N+](=O)[O-])C(=O)O B658020
CC(C)(C)OC(=O)N[C@H](Cc1ccc(cc1)[N+](=O)[O-])C(=O)OC B658050
CC(C)(C)OC(=O)N1CCCC1c2cccnc2 B658150
CC(C)(C)OC(=O)n1cccc1c2cccnc2 B658175
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(=O)C2 B658750
CCCC(C(=O)O)NC(=O)OC(C)(C)C B658900
CC(C)(C)OC(=O)NNC(=O)C1Cc2ccccc2OC1=O B661000
CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCC(=O)C2 B661180
CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)OC B661225
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C=O B661520
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C=O)NC(=O)OC(C)(C)C)[2H])[2H] B661522
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O B661530
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)[2H])[2H] B661532
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC2CCCCC2 B661560
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CO B661565
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CO B661570
CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccccc1 B661575
CC(C)(C)OC(=O)Nc1ccccc1N B661700
CCOC(=O)[C@@H]([C@H](c1ccccc1)NC(=O)OC(C)(C)C)O B661825
CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)O B661950
Cc1cc(cc(c1N)C)OC(=O)C2CCCCN2C(=O)OC(C)(C)C B661960
CC(C)(C)OC(=O)N1CCNCC1 B662000
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B662002
CC(C)(C)OC(=O)N1[13CH2][13CH2]N[13CH2][13CH2]1 B662003
CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)C#N B662075
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(C(=O)N2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C B663125
CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC(=O)N2 B663215
CC(C)(C)OC(=O)N1CCC(=O)CC1 B663850
CCCCCCCCCCCCC/C=C/[C@@H]([C@@H](COC(=O)C(C)(C)C)NC(=O)OC(C)(C)C)O B663880
CCCCCCCCCCCCC/C=C/[C@@H]1C([N@@](C(O1)(C)C)C(=O)OC(C)(C)C)COC(=O)C(C)(C)C B663890
CC(C)(C)OC(=O)N1C=CC[C@H]1C(=O)OC B664240
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON2C(=O)CCC2=O B664250
CC(C)(C)OC(=O)NNCc1ccc(cc1)c2ccccn2 B665200
CC(C)(C)OC(=O)N/N=C/c1ccc(cc1)c2ccccn2 B665250
CC(C)(C)OC(=O)N1CCCC1 B665850
CC(C)(C)OC(=O)N1CCC(C1)O B665900
CC(C)(C)OC(=O)N1CCC(=O)C1 B665950
B(c1cccn1C(=O)OC(C)(C)C)(O)O B666500
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OCC=C B667375
CC(C)(C)OC(=O)N[C@H]1COC1=O B667390
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OC(C)(C)C)O B667750
[2H][13C]([2H])([13C@H]([C@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)OC(C)(C)C)O B667752
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)OC(C)(C)C)O B667755
CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C)O B667770
CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)OC(C)(C)C)OP(=O)(OCCC#N)OCCC#N B667775
CCCCCCCCCCCCC/C=C/[C@@H]1C([N@@](C(O1)(C)C)C(=O)OC(C)(C)C)CO B667780
CCCCCCCCCCCCC/C=C/[C@@H]1[C@@H](N(C(O1)(C)C)C(=O)OC(C)(C)C)COP(=O)(OC(C)c2ccccc2[N+](=O)[O-])OC(C)c3ccccc3[N+](=O)[O-] B667790
CC1(CC(CC(N1O)(C)C)(C(=O)O)NC(=O)OC(C)(C)C)C B667850
Cc1ccc(cc1)S(=O)(=O)OC2CCN(C2)C(=O)OC(C)(C)C B668800
CC1(CC(C(N1O)(C)C)NC(=O)CBr)C B670035
CC[Si](CC)(CC)O[C@@H]1[C@@H](N(C1=O)C(=O)OC(C)(C)C)c2ccccc2 B671500
CC(C)(C)OC(=O)N1CC[C@H]1COc2cccnc2[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-] B672500
CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c2ccccc2)c3ccccc3)C(=O)N(C)OC B673125
CC(C)(C)OC(=O)NCCc1cn(cn1)C(c2ccccc2)(c3ccccc3)c4ccccc4 B673300
CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)NC(=O)OC(C)(C)C B673500
[2H]C([2H])(C([2H])([2H])OC(=O)[C@@H](C(C)C)NC(=O)OC(C)(C)C)OCn1cnc2c1nc([nH]c2=O)N B673502
CC(C)[C@@H](C(=O)Oc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C B674000
CC(C)CC(C(=O)ON1C(=O)CCC1=O)NC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)C B674155
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C B674500
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)NC(CC3CCC3)C(=O)C(=O)N)C2(C)C)C(C)(C)C B674502
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC)C2(C)C)C(C)(C)C B674517
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)O)C B674520
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C)C(C)(C)C B674522
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N)C B674525
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N)C2(C)C)C(C)(C)C B674527
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CCl)C)C)(F)F B674700
[B-]1(n2c(ccc2CCC(=O)NCCCCCC(=O)NCCN3CC(C[C@@H]4C3C(C5(O4)CCC6C7CC=C8C[C@H](CCC8(C7CC6=C5C)C)O)C)C)C=C9[N+]1=C(C=C9C)C)(F)F B674800
[2H]C([2H])(C(=O)NCCN1CC(C[C@@H]2C1C(C3(O2)CCC4C5CC=C6C[C@H](CCC6(C5CC4=C3C)C)O)C)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)CCc7ccc8n7[B-]([N+]9=C(C=C(C9=C8)C)C)(F)F B674802
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)c4ccc(cc4)N=C=S)C)C)(F)F B674840
[B-]1(n2c(cc(c2C(=C3[N+]1=C(C=C3C)C)CSS(=O)(=O)C)C)C)(F)F B674875
[B-]1(n2c(ccc2CCCCCCCC(=O)O)C=C3[N+]1=C(C=C3C)C)(F)F B674910
[B-]1(n2c(ccc2CCC(=O)O)C=C3[N+]1=C(C=C3C)C)(F)F B674920
C1=CC(C(C(C1O)O)O)Br B682500
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O.CS(=O)(=O)O B682600
[2H]C([2H])([2H])N1C[C@@H](C=C2[C@H]1Cc3c4c2cccc4[nH]c3Br)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)CC(C)C)C(C)C B682602
CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CN([C@@H]5Cc6c7c(cccc7[nH]c6Br)C5=C4)C)O B682605
c1cc(c(nc1)C#N)Br B682725
c1c(cncc1Br)C#N B682750
c1cc(c(cc1/C=C/2\C(=O)NC(=O)S2)Br)OCCC3CCCCC3 B682755
[2H]C([2H])(C1CCCCC1)C([2H])([2H])Oc2ccc(cc2Br)/C=C/3\C(=O)NC(=O)S3 B682757
C1CC1Br B682760
Cc1c(cnc(c1NC(=O)c2cccnc2Cl)NC3CC3)Br B682770
COc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)CBr)O)O)O)C2=O B682780
[B-]1(n2c(ccc2CCC(=O)OC)C=C3[N+]1=C(C=C3C)C)(F)F B674925
[B-]1(n2c(ccc2CCC(=O)Nc3ccc(cc3)CCN4CN(C5(C4=O)CCN(CC5)CCCC(=O)c6ccc(cc6)F)c7ccccc7)C=C8[N+]1=C(C=C8C)C)(F)F B674930
[B-]1(n2c(ccc2CCC(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4C)C)(F)F B674935
[B-]1(n2c(ccc2CCC(=O)NCCCCCC(=O)NCCCCCC(=O)O)C=C3[N+]1=C(C=C3C)C)(F)F B674945
C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C B674970
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C[C@H](CC[C@H]34)O B675000
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C[C@H](CC[C@H]34)O)C)O B675002
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C=C[C@]34C B675100
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O B675102
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)C=C[C@]34C B675105
[2H][C@@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O B675107
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OS(=O)(=O)O)CCC4=CC(=O)C=C[C@]34C B675110
[2H][C@@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)OS(=O)(=O)O B675112
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)C=C[C@]35C B675115
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O B675117
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=CC(=O)C=C[C@]35C B675120
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)C=C[C@]35C B675125
[2H][C@@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=CC(=O)C=C[C@]34C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O B675127
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=CC(=O)C=C[C@]34C B675140
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C B675200
Cc1cc2c([nH]1)cccc2OCC(CNC(C)(C)C)OC(=O)c3ccccc3 B675400
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1cc([nH]2)C)OC(=O)c3ccccc3 B675402
B1(OC(C(O1)(C)C)(C)C)C2CCCN2.Cl B675500
B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O B675700
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[C@]([2H])(C(=O)N[C@H](B(O)O)CC(C)C)NC(=O)c2cnccn2)[2H])[2H] B675702
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC B675900
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC B676095
C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C B676490
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C B676500
CC(C)(C)c1ccc(cc1)CCC=O B676650
C=CCC1(C(=O)NC(=O)NC1=O)CC(=C)Br B676750
[2H]C(=C([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CC(=C)Br)[2H] B676752
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C B676850
CSC(=S)NCc1c[nH]c2c1cccc2 B676950
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O B677050
C[C@H]1CCC/C=C/[C@@H]2C[C@@H](C[C@H]2[C@@H](/C=C/C(=O)O1)O)O B677240
CC[C@@]12CCN(C(C1(C)C)Cc3c2cc(cc3)O)CC4(CC4)O.Cl B677350
CC[N+](C)(C)Cc1ccccc1Br.Cc1ccc(cc1)S(=O)(=O)[O-] B677370
CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4cccc(c4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].[Na+].[Na+] B677400
c1cc(c(c2c1nccn2)Br)NC3=NCCN3 B677520
c1cc(c(c2c1nccn2)Br)NC3=NCCN3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O B677530
[2H]C1(C(N=C(N1)Nc2ccc3c(c2Br)nccn3)([2H])[2H])[2H].[C@H]([C@@H](C(=O)O)O)(C(=O)O)O B677532
[2H]C1(C(N=C(N1)Nc2ccc3c(c2Br)nccn3)([2H])[2H])[2H].[C@@H]([C@H](C(=O)O)O)(C(=O)O)O B677533
CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC.Cl B677600
[2H]C([2H])([2H])C([2H])([2H])N[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC B677602
Cc1cc2c([nH]1)ccc(c2F)Oc3c4c(c(cn4ncn3)OC[C@@H](C)O)C B677640
CC1c2ccccc2CN1CC3=NCCN3 B677680
Cc1ccc(cc1S(=O)(=O)N(C)C)[N+](=O)[O-] B677750
c1ccc2c(c1)CC(CC2c3c(c4ccccc4oc3=O)O)c5ccc(cc5)c6ccc(cc6)Br B677900
COc1cc(cc(c1Br)OC)Cc2cnc(nc2N)N B678100
[2H]C([2H])([2H])Oc1cc(cc(c1Br)OC([2H])([2H])[2H])Cc2cnc(nc2N)N B678102
c1ccc(cc1)C(CC(c2ccc(cc2)c3ccc(cc3)Br)O)c4c(c5ccccc5oc4=O)O B678200
C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br B678400
C1(=C(C(=O)C(=C(C1=O)Br)O)Br)O B678405
c1c(ccc(c1)Br)NC2[C@H]3C[C@H]4C[C@@H]2C[C@@H](C3)C4 B678450
[2H]c1c(c(c(c(c1[2H])Br)[2H])[2H])NC2([C@H]3C[C@H]4C[C@@H]2C[C@@H](C3)C4)[2H] B678452
c1ccnc(c1)C2=NCC(=O)Nc3c2cc(cc3)Br B678500
[2H]c1c(c(nc(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)Br)[2H])[2H] B678502
CN(C)CCOC(c1ccccc1)c2ccc(cc2)Br.Cl B678525
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccc(cc2)Br)OCCN(C)C)[2H])[2H].Cl B678527
CC(C)(C)NCC(c1cc(c(c(c1)Br)N)Br)O.Cl B678535
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Br)N)Br)O.Cl B678537
c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)[O-].[Na+] B678550
[2H]c1c(c(c(c(c1[2H])C(=O)c2c(c(c(c(c2[2H])[2H])Br)[2H])[2H])N)CC(=O)[O-])[2H].[Na+] B678552
c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)O B678560
c1cc(c(c(c1)C(=O)c2ccc(cc2)Br)N)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B678565
CN(Cc1cc(cc(c1N)Br)Br)C2CCCCC2.Cl B678600
c1ccc2c(c1)C(=O)C(C2=O)c3ccc(cc3)Br B678700
[2H]c1c(c(c(c(c1C2C(=O)c3ccccc3C2=O)[2H])[2H])Br)[2H] B678702
c1c(cc(c(c1Br)OCC(CBr)Br)Br)Br B678800
CCOC(CBr)OCC B678880
c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CBr)Cl)Cl B678960
c1cc(ccc1C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=O)CBr B679000
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)NC(=O)CBr)N(C)C B679050
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)NC(=O)CBr)N(C)C B679055
CC(=O)c1ccc(cc1)Br B679060
[2H]c1c(c(c(c(c1C(=O)C)[2H])[2H])Br)[2H] B679062
c1ccc(cc1)C(=O)CBr B679065
CC1(OCCO1)c2ccc(cc2)Br B679070
C(CNC(=O)CBr)C(=O)O B679080
COC(=O)CCc1cc(c(s1)NC(=O)CBr)C(=O)c2ccccc2Cl B679085
c1ccc(cc1)C(=O)c2cc(ccc2NC(=O)CBr)Cl B679090
CN(C)c1ccc2cc(ccc2c1)C(=O)CBr B679095
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)CBr B679100
c1cc(cnc1)C(=O)CBr.Br B679110
CCOC(=O)CBr B679125
c1cc(ccc1C(=O)CBr)C(=O)O B679250
COC(=O)c1ccc(cc1)C(=O)CBr B679260
c1cc(cc(c1)C(=O)CBr)C#N B679265
CCc1cccc2c1oc(c2)C(=O)CBr B679270
[2H]c1c(c(c(c(c1C#N)[2H])[2H])C(=O)CBr)[2H] B679277
CS(=O)(=O)Nc1ccc(cc1)C(=O)CBr B679280
Cc1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C(=O)CBr B679290
c1cc(ccc1C(=O)CBr)N2CCCC2=O B679300
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)Br)C B679320
c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@H](C([C@H](O3)CO)O)O)N B679375
c1cc(c(cc1N)Br)C(=O)O B679450
C(CCCCCBr)CCCCN.Br B679485
C(CCCCCCBr)CCCCCN.Br B679575
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)Br)N)C(=O)O)C B679625
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=CC(=O)CC[C@]34C)Br B679700
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)Br B679705
c1cc(cc(c1)Br)N B679960
[2H]c1c(c(c(c(c1[2H])Br)[2H])N)[2H] B679962
COc1cccc(c1)Br B680120
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C(=C[C@@]43C)Br)Cl)O)C)C)OC(=O)CC B680130
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)Br)Cl)O)C)C)OC(=O)CC B680135
CCOC(=O)C(c1ccccc1)Br B680150
c1cc-2c(cnc2[nH]c1)Br B680155
COc1ccc2c(c1)[nH]c3c2CCN4[C@@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OS(=O)(=O)c6ccc(cc6)Br B680160
c1cc2c(cco2)c(c1)Br B680165
c1cc(ccc1S(=O)(=O)Cl)Br B680170
c1ccc2c(c1)[nH]c(n2)Br B680175
c1cc(cc2c1cco2)Br B680180
COC(=O)c1cc2cc(ccc2s1)Br B680185
c1cc2c(c(c1)C(=O)c3ccc(cc3)Br)NC(=O)C2 B680190
CCCCc1nc(c(n1Cc2ccc(cc2)Br)C=O)Cl B680195
CCCCc1nc(c(n1Cc2ccc(cc2)Br)C(=O)O)Cl B680205
c1cc(ccc1CC#N)Br B680210
c1cc(c(c(c1)Br)N)N B680220
c1cc2c(cc1Br)cc(o2)C=O B680230
COC(=O)c1cc2cc(ccc2o1)Br B680240
COC(=O)c1ccc(cc1)Br B680245
c1cc2c(cc1Br)cc(s2)C=O B680255
c1cc(cc2c1cc(s2)C=O)Br B680260
COC(=O)c1cc2ccc(cc2s1)Br B680265
COc1ccc(c(c1OCc2ccccc2)Br)C(=O)O B680275
COc1ccc(c(c1OCc2ccccc2)Br)C(=O)OC B680280
CSC(=S)NCC1=NCc2c1cc(cc2)Br B680375
c1cc(c(cc1Cl)CBr)Br B680600
c1cc(c(cc1Br)Cl)CBr B680610
c1cc(ccc1/C=C/Br)Br B680625
c1cc(ccc1c2cc3ccc(cc3[nH]2)Br)Br B680635
c1ccc(c(c1)/C=C/Br)Br B680750
CCc1cc(cc2c1oc(c2)C(CNC(C)(C)[CH2])O)Br.Cl B681825
[2H]C([2H])([2H])CCCBr B681830
[2H]C([2H])([2H])CCCBr B681832
[2H]C([2H])([2H])c1ccsc1C(=CCCBr)c2c(ccs2)C([2H])([2H])[2H] B681842
C=CCCBr B681845
C(/C=C/CBr)O B681850
[2H]C([2H])(C(C([2H])([2H])O[Si](C)(C)C(C)(C)C)Br)O[Si](C)(C)C(C)(C)C B681862
CC1(N([C@H](CO1)C2CC(=NO2)Br)C(=O)OC(C)(C)C)C B681875
c1cc2c(cc1OCCCCBr)NC(=O)CC2 B681960
[2H]C([2H])(C([2H])([2H])C([2H])([2H])Br)C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2 B681962
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCBr B681970
[2H]C([2H])(C([2H])([2H])C([2H])([2H])Br)C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O B681972
c1cc(cc2c1ccc(=O)[nH]2)OCCCCBr B681980
c1cc(cc2c1ccc(=O)n2CCCCBr)OCCCCBr B681985
CC(C)(C)c1ccc(cc1)C(=O)CBr B681990
CCCCc1nc(c2n1Cc3ccc(cc3C2)Br)Cl B681995
C(CCBr)CC1C(=O)NC(=O)N1 B682000
CCCCc1nc(c2n1Cc3ccc(cc3C2=O)Br)Cl B682005
CC(C)(c1ccc(cc1)C#CCCBr)C(=O)OC B682020
C1COC(=O)C1Br B682070
CC(Cc1cc(c(cc1Br)O)O)(C(=O)O)NN B682075
CC(Cc1cc(c(c(c1)Br)O)O)(C(=O)O)NN B682080
C[C@]12CCC(C1(C)CS(=O)(=O)[O-])[C@H](C2=O)Br.[NH4+] B682085
C[C@@]12CCC(C1(C)CS(=O)(=O)[O-])[C@@H](C2=O)Br.[NH4+] B682090
C(=O)C(Cl)Br B682095
c1c(c(cc(c1Cl)Br)N)C(=O)O B682100
c1cc(c(cc1Br)Cl)C(=O)O B682115
c1cc(c(cc1Cl)F)Br B682125
c1c2c(cc(c1Cl)Br)NC(=O)C2=O B682150
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3Br)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+] B682200
c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CBr)[N+](=O)[O-])Cl B682220
CCOC(=O)Cc1ccc(cc1Cl)Br B682225
C=Cc1ccc(cc1Cl)Br B682230
c1cc(cc2c1cc(cc2)Br)Cl B682235
c1cc(c(cc1Br)Cl)CCI B682240
c1cc(c(cc1Br)Cl)CCO B682245
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Oc2c[nH]c3c2c(c(cc3)Br)Cl)CO)O)O B682250
c1ccc(c(c1)C(C(=O)O)Br)Cl B682255
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Oc2c[nH]c3c2c(c(cc3)Br)Cl)CO)O)O B682265
[2H]c1c(c(c(c(c1[2H])C2(CCCCC2=O)Br)Cl)[2H])[2H] B682272
[2H]c1c(c(c(c(c1[2H])C2(CCCCC2O)Br)Cl)[2H])[2H] B682277
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)OC)Oc2c[nH]c3c2c(c(cc3)Br)Cl)O B682285
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])Oc2c[nH]c3c2c(c(cc3)Br)Cl)O.[Na+] B682300
CC(=O)Oc1cn(c2c1c(c(cc2)Br)Cl)OC(=O)C B682335
COc1c(c(nc(n1)OC)Cl)Br B682340
c1cc(c(c2c1[nH]cc2O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O)Cl)Br B682350
c1cc(c(c2c1[nH]cc2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COS(=O)(=O)O)O)O)O)Cl)Br B682360
C([N+](=O)[O-])(Cl)Br B682365
c1c(cnc(c1[N+](=O)[O-])Cl)Br B682370
c1cc(c(c2c1[nH]cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)Cl)Br.C1CCC(CC1)N B682380
C/C(=C\CBr)/CCl B682385
c1cc(ccc1/C=C/Br)Cl B682390
C1(C(=C(C(=O)O1)Cl)C(Cl)Br)O B682395
c1c(cnc(c1Br)Cl)S(=O)(=O)Cl B682400
c1c2c(cc(c1Cl)Br)nc[nH]c2=O B682405
c1cc(nc2c1cc(cc2)Br)Cl B682410
C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@H](C4)OC(=O)C)C)Br)O)C B682415
c1cc(ccc1/C=C/C=O)Br B682420
c1c(csc1Cl)Br B682425
c1ccc(c(c1)/C=C/C(=O)O)Br B682430
c1cc(ccc1/C=C/C(=O)O)Br B682435
c1cc2cnccc2c(c1)S(=O)(=O)NCCNC/C=C/c3ccc(cc3)Br B682440
c1cc2cnccc2c(c1)S(=O)(=O)NCCNC/C=C/c3ccc(cc3)Br B682445
C(CCl)CBr B682450
Cn1cc(c2c1ncnc2Cl)Br B682470
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CBr)O)N)O.C(=O)O B682790
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Br)C)OC(=O)C B682795
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3C[C@H](C4=O)Br)C)O B682800
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)Br)O B682810
C1[C@@H](O[C@@H](C1O)CO)n2c3c(c(=O)[nH]c(n3)N)nc2Br B682835
C1[C@H]([C@H](O[C@H]1n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2Br)CO)O B682837
CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2Br)O[Si](C)(C)C(C)(C)C B682845
CC(C)(C)[Si](C)(C)OC[C@@H]1C(C[C@@H](O1)n2c3c(c(nc(n3)N)OCc4ccccc4)nc2Br)O[Si](C)(C)C(C)(C)C B682850
CC1(OC2C(OC(=O)C2O1)CBr)C B682865
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)Br)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C B683000
c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)Br B683250
CN(C)CCCC1(c2ccc(cc2CO1)Br)c3ccc(cc3)F B683280
C1(C(=C(C(=O)O1)Br)C(Br)Br)O B683300
C(#N)C(Cl)(Cl)Br B683400
c1cc(c(cc1Cl)Cl)C(=O)CBr B683405
C(Cl)(Cl)Br B683415
C[C@@](CBr)(C(=O)O)O B684445
c1cc(ccc1C(=O)CBr)O B684450
c1ccc(c(c1)C(=O)CBr)O B684455
c1ccc(c(c1)/C(=N/O)/CBr)O B684460
c1ccc(cc1)CCC(=O)c2ccccc2OCC(CBr)O B684465
[2H]C([2H])(C([2H])(C([2H])([2H])Br)O)Oc1ccccc1C(=O)CCc2ccccc2 B684467
CC1(C(=C(C(N1O)(C)C)Br)CO)C B684470
COc1cc(c(cc1O)CN(CCc2ccc(c(c2)Br)O)C=O)Br B684471
c1c(cncc1Br)O B684472
c1cncc(c1Br)O B684473
c1c(cnc(n1)O)Br B684475
c1cc(ccc1C(=O)CBr)n2ccnc2 B684478
c1cc2c(cc[nH]2)c(c1)Br B684480
c1cc2c(cc1Br)NC(=O)C2=O B684485
c1ccc2c(c1)cncc2Br B684488
c1cc2cnccc2c(c1)Br B684489
C(=O)C(C=O)Br B684490
c1cc(c(c2c1nccn2)Br)N=C=S B684495
CC(=O)NCCc1c2cc(ccc2[nH]c1Br)OC B684500
c1cc2c(cc1Br)C(=O)CC2 B684505
c1cocc1Br B684510
CCOC(=O)COc1cc(ccc1C=O)Br B684515
c1cc(c(cc1Br)F)C=O B684520
[13CH](Cl)(Cl)Br B683417
C([N+](=O)[O-])(Cl)(Cl)Br B683425
CCOC(=O)C(CBr)(OCC)OCC B683450
CCC(CC)(C(=O)OCC)Br B683460
c1c(cc(c(c1F)CC#N)F)Br B683465
c1cc2c(c(c1)Br)CCO2 B683475
CCC(=O)NCC[C@@H]1CCc2c1cc(c(c2)Br)O B683500
CCC(=O)NCC[C@@H]1CCc2c1cc(c(c2)Br)OC B683510
c1cc2c(cc1Br)CCNC2=O B683520
COc1ccc2c(c1)CCC(=C2c3ccc(cc3)OCc4ccccc4)Br B683700
COc1cc(cc(c1Br)OC)C=O B683790
CCOC(=O)c1cn(c2cc(c(cc2c1=O)Br)F)[C@H](CO)C(C)C B683830
CCOC(=O)c1cn(c2cc(c(cc2c1=O)Br)F)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C B683840
CC(C)(C)OC(=O)N1CCc2c1ccc(c2)Br B683980
CC(=O)OC[C@@H]1[C@H]([C@H]2[C@@H]([C@H](O1)Br)OC(=O)O2)OC(=O)C B684000
c1cc(c(cc1F)F)C(=O)CBr B684005
c1cc(ccc1C#N)Nc2nc(c(c(n2)Cl)Br)Cl B684010
c1cc(ccc1C#N)Nc2n[13c]([13c]([13c](n2)Cl)Br)Cl B684012
CC(=O)Oc1cc(cc(c1)OC(=O)C)C(=O)CBr B684015
c1(c(nc([nH]c1=O)N)N)Br B684020
c1ccc(cc1)COc2cc(cc(c2)OCc3ccccc3)C(=O)CBr B684025
c1c(c(nc(n1)Cl)Cl)Br B684030
c1c(cnc2c1CCC(=O)N2)Br B684035
c1cc(c(c(c1O)C(=O)O)O)Br B684040
c1ccc(cc1)C2CC(=O)Nc3c2cc(cc3)Br B684045
c1c(cc(cc1O)O)C(=O)CBr B684050
COc1cc(c(cc1OC)Br)C(=O)O B684055
c1ccc2c(c1)cc(c3ccccc3c2=O)Br B684060
c1cc2c(cc1Br)C[C@@H](C2)O B684065
c1cc2c(cc1Br)C(CC2)O B684066
c1cc2c(cc1Br)C[C@@H](C2)O B684070
COc1ccc(cc1OC)C(=O)CBr B684075
c1c(cc(c(c1F)CC(=O)O)F)Br B684080
COc1c(cnc(n1)OC)Br B684085
COc1cc(c(cc1Br)OC)CN2CCNCC2 B684090
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2cc(c(cc2OC)Br)OC)([2H])[2H])[2H] B684092
Cc1c(c2ccccc2c(c1Br)OC)OC B684100
c1c(cc(c(c1O)Br)O)C(=O)O B684110
C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)Br)C B684120
[2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)Br)C([2H])([2H])[2H] B684122
CC(C)/C=C/c1c(cnc(c1[N+](=O)[O-])OC)Br B684130
CCCCCCC(C)(C)c1ccc(c(c1)O)Br B684135
CCCCCCC(C)(C)c1ccc(c(c1)OCc2ccccc2)Br B684140
CN(C)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Br)/c3ccccc3 B684145
CN(C)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Br)/c3ccccc3 B684150
CN(C)c1cccc(c1)Br B684160
CC(C)CCCC(C)CCBr B684170
[2H]c1c(c(c(c(c1Br)[2H])C([2H])([2H])[2H])O)C([2H])([2H])[2H] B684177
CC(C)(C#C/C=C/CBr)C(=O)OC B684180
CC1(CCC(=O)c2c1ccc(c2)Br)C B684185
c1ccc(cc1)C(CCBr)(c2ccccc2)C(=O)O B684190
c1ccc(cc1)/C(=C(/c2ccccc2)\Br)/c3ccc(cc3)O B684200
c1ccc(cc1)C(CCBr)(C#N)c2ccccc2 B684205
C[C@H](Cc1c2ccoc2c(c3c1occ3)Br)N.Cl B684210
[2H][C@@](C([2H])([2H])[2H])(C([2H])([2H])c1c2ccoc2c(c3c1occ3)Br)N.Cl B684212
c1ccc2c(c1)C(=O)N(C2=O)OCCBr B684215
CC(C)(C)C(=O)Oc1cc(cc(c1)OC(=O)C(C)(C)C)C(=O)CBr B684220
c1ccc2c(c1)Cc3cc(ccc3N4C2CN=C4N)Br B684225
CCOC(=S)Sc1ccc(c(c1)Br)C(=O)O B684230
c1cc2c(cc1CCBr)CCO2 B684233
[2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])Br B684234
c1cc(c2c(c1)NC(=O)C2)CCBr B684235
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCCBr)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[Si](C)(C)C(C)(C)C B684240
CCc1cc(cc2c1oc(c2)C=O)Br B684245
CS(=O)(=O)SCCBr B684250
CCn1c(=O)n(nn1)CCBr B684255
c1cc(ccc1[N+](=O)[O-])OCCBr B684260
[2H]C([2H])(C([2H])([2H])Br)Oc1ccc(cc1)[N+](=O)[O-] B684262
C(CBr)C1C(=O)NC(=O)N1 B684265
CCc1cc(ccc1O)Br B684270
c1ccc2c(c1)C(C(=O)c3ccccc3N2C(=O)N)Br B684275
C(CBr)OP(=O)(Cl)Cl B684280
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@@]5([C@@]3(CC[C@H](C5)OC(=O)C)CO4)Br)C B684285
C(CBr)S(=O)(=O)[O-].[Na+] B684290
CCc1ccc(cc1)Br B684295
CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1OP(=O)(O)OCCBr)[N+](=O)[O-] B684300
CC(OC(=O)C)Br B684305
c1cc2c(cc1Br)NC(=O)C2 B684310
CCc1ccc(nc1)Br B684320
CCc1ccnc(c1)Br B684325
CCOC(=O)NCCBr B684330
C1C[N+]2(CCC1CC2)CCBr.[Br-] B684335
CCc1cc(cc(c1O)C=O)Br B684340
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCCBr)OC(=O)C)OC(=O)C)OC(=O)C B684343
C[N+](C)(C)CCBr.[Br-] B684345
c1ccc2c(c1)c(=O)cc(o2)c3ccc(cc3)Br B684350
c1ccc(c(c1)C(=O)CBr)F B684355
c1cc(c(cc1Br)F)NN.Cl B684360
C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2Br)O)O)O B684365
C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2Br)O)O)O B684367
c1cc(ccc1OC[C@H](/C=C/Br)O)F B684370
[2H]c1c(c(c(c(c1OC[C@H](/C=C/Br)O)[2H])[2H])F)[2H] B684372
CC(=O)c1ccc(cc1Br)F B684375
c1cc(c(c(c1)Br)N)F B684380
c1cc(c(cc1Br)CC2CNC2)F B684385
COc1ccc(c(c1)F)Br B684390
CC(C)(CBr)F B684395
c1c[nH]c2c1c(cc(c2)F)Br B684400
c1ccc(cc1)c2ccc(cc2F)Br B684405
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)Br)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B684410
C(CCC(=O)O)CCBr B684415
CC(=O)CCCCBr B684420
C1CNC(=O)c2c(c(c([nH]2)Br)Br)C1c3c(nc([nH]3)N)Br B684425
C(CCCBr)CCN.[Br] B684430
CC[N+](CC)(CC)CCCCCCBr.[Br-] B684435
c1cc(cc(c1)O)C(=O)CBr B684440
c1cc(c(cc1Br)C=O)F B684525
Cc1c(c(n(n1)C)NC(=O)CBr)C(=O)c2ccccc2F B684530
c1cc2c(cc[nH]2)cc1Br B684540
c1ccc2c(c1)CC(C2)Br B684600
c1cc2c(cc1Br)CCN2 B684610
c1cc(cc2c1cc(cc2)Br)O[C@@H]3[C@H](C([C@H](C(O3)CO)O)O)O B685975
Cc1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)Br B685985
c1cc(ncc1C(=O)O)Br B686000
CCOC(=O)c1ccc(nc1)Br B686010
[2H]c1c(c(c(c(c1[2H])[N+](=O)[O-])Br)[2H])[2H] B686177
[2H]c1c(c(c(c(c1[N+](=O)[O-])[2H])[2H])Br)[2H] B686179
c1cc(cc(c1)Br)[N+](=O)[O-] B686185
[2H]c1c(c(c(c(c1[2H])Br)[2H])[N+](=O)[O-])[2H] B686187
C(CCCCO)CCCCBr B686190
c1c(cncc1Br)C2CCCN2 B686195
c1cc(c(cc1Br)[N+](=O)[O-])C(=O)O B686225
COc1ccc(c(c1)[N+](=O)[O-])/C=C/c2ccccc2Br B686240
COc1ccc(c(c1)[N+](=O)[O-])/C=C\c2ccccc2Br B686241
c1cc(c(cc1O)Br)[N+](=O)[O-] B686255
c1cc(c(cc1Br)O)[N+](=O)[O-] B686258
c1cc(ncc1[N+](=O)[O-])Br B686260
c1c(c[nH]c(=O)c1[N+](=O)[O-])Br B686265
C(CCCC(=O)O)CCCBr B686268
CC1(C(=C(C(N1O)(C)C)Br)C(=O)O)C B686270
c1coc(n1)Br B686275
c1cc(cc(c1)Br)C(=O)[CH-]C=O.[Na+] B686280
c1ccc2c(c1)cnn3c2nnc3Br B688348
c1cc2ncnn2cc1Br B688349
C[C@H]1[C@H]([C@H]([C@@H](C(O1)Br)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 B688350
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)c2ccccc2)OC(=O)c3ccccc3)OC(=O)c4ccccc4 B688353
CCCC[N+](CCCC)(CCCC)CCCBr.[Br-] B688355
c1cnc(cc1C(F)(F)F)Br B688375
CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCCBr.[Br-] B688400
Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)C[N+](C)(C)C.[Br-] B688500
C[N+](C)(C)CCCCCCCBr.[Br-] B688515
C[N+](C)(C)CCCCCCBr.[Br-] B688520
Cc1c(c(n(n1)C)C)Br B688540
c1c(c(=O)[nH]c(=O)[nH]1)Br B688925
COc1ccc(c(c1OC)Br)CO B688980
[2H]C([2H])([2H])Oc1c(ccc(c1Br)CO)OC B688982
COc1ccc(c(c1OC)Br)C=O B688990
COc1ccc(c(c1O)Br)C=O B689000
CCCC(C(=O)c1ccccc1)Br B689020
C(C(=O)O)(Br)I B684625
c1cc2c(cc1Br)C(=O)C(=O)N2 B684640
CC(C)c1ccc(cc1)C(=O)CBr B684650
CCN(CC)CC(=O)Nc1c(ccc(c1C)Br)C B684700
COc1ccc(cc1)C(=O)CBr B684720
Cc1ccc(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C B684730
c1cc(c(cc1S)Br)C(=O)O B684750
COc1ccc(c(c1)Br)CCl B684755
COc1ccc(cc1)[C@H](Cc2ccc(cc2Br)OC)CO B684760
CCCC(c1c(c2ccccc2o1)Br)OC B684765
Cc1cc(ncc1Br)OC B684770
COc1ccc2cc(ccc2c1)Br B684780
COc1ccc(c2c1cccc2)Br B684785
COc1ccc(nc1Br)[N+](=O)[O-] B684790
COc1c(cc(cn1)[N+](=O)[O-])Br B684795
COc1cccc(c1)C(=O)CBr B684800
[2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CBr B684802
Cc1c(cnc(c1[N+](=O)[O-])OC)Br B684810
COc1c(ncc(n1)Br)N B684815
COc1cccnc1Br B684820
COc1c(cc(cc1O)Br)O B684875
CC(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)Br B684910
[2H]C([2H])([2H])C(C(=O)c1ccc(c(c1)S(=O)(=O)N)OC)Br B684912
COc1ccc2c(c1)C(=O)C(CC2)Br B684920
c1ccc(c(c1)CC=O)Br B684925
CC(=O)OCBr B684930
Cc1ccc(cc1)C(=O)CBr B684950
[2H]C([2H])([2H])c1ccc(cc1)C(=O)CBr B684952
CC(=O)Oc1ccc2c(cc(=O)oc2c1)CBr B685000
C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)Br B685050
Cc1ccc(cc1Br)N B685100
Cc1cc(cc(c1)Br)OC B685150
c1ccc2c(c1)c(no2)CBr B685250
COC(=O)c1ccc(cc1)CBr B685260
CC(C)(CCBr)O B685265
c1ccc(c(c1)c2ccc(cc2)CBr)C(=O)N B685270
c1ccc(c(c1)c2ccc(cc2)CBr)C(=O)O B685275
c1cc(cc(c1)C(=O)O)CBr B685280
Cc1c(cccc1Br)C(=O)OC B685285
CC(=C(C(=O)OC)Br)C B685290
c1ccc(cc1)c2ccc(cc2)CBr B685295
c1ccc(cc1)C(=O)C(=O)c2ccc(cc2)CBr B685300
c1ccc(cc1)c2cccc(c2)CBr B685303
COC(=O)c1ccccc1c2ccc(cc2)CBr B685305
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c(nnn4)c5ccccc5c6ccc(cc6)CBr B685310
[2H]c1c(c(c(c(c1CBr)[2H])[2H])c2ccccc2c3nnnn3C(c4ccccc4)(c5ccccc5)c6ccccc6)[2H] B685312
CC(C)(C)OC(=O)N(C)CCCBr B685315
COc1ccc(c(c1)[N+](=O)[O-])Oc2ccc(cc2CBr)Cl B685320
c1cc(ccc1OCCCCCC[C@]2(C(=O)N3CCC[C@H]3C(=O)O2)CBr)Cl B685325
[2H]C1(CC1)C([2H])([2H])Br B685332
c1ccc(c(c1)C#N)c2ccc(cc2)CBr B685335
[2H]C1(C(OC(O1)(C)C)([2H])C([2H])([2H])Br)[2H] B685342
CC1(C=C(C(N1O)(C)C)CBr)C B685345
COc1cc2c(cc(=O)oc2cc1OC)CBr B685350
CC(C(=O)c1ccc2c(c1)OCO2)Br B685355
C(P(=O)(O)O)(P(=O)(O)O)Br B685360
c1cc2ccc(cc2c(c1)CBr)F B685365
C=C(CBr)c1ccc(cc1F)F B685370
c1cc(ccc1OCCCCCC[C@@](CBr)(C(=O)O)O)Cl B685375
Cc1ccc2c(c1Br)C(=O)C(=O)N2 B685380
CC(C)(C)OC(=O)c1ccccc1c2ccc(cc2)CBr B685385
c1cc2ccncc2c(c1)CBr B685390
c1ccc2c(c1)[n+](cc([n+]2[O-])CBr)[O-] B685395
COc1ccc2c(cc(=O)oc2c1)CBr B685400
c1ccc(cc1)C(=O)OC[C@H]2CO[C@](O2)(CBr)c3ccc(cc3Cl)Cl B685405
COCCCOc1cc(ccc1OC)CBr B685410
CC1(C(=C(C(N1[O])(C)C)CBr)CSS(=O)(=O)C)C B685415
Cc1c(c(=O)n(o1)COC)CBr B685420
Cc1[nH]c2ccc(cc2c(=O)n1)CBr B685430
Cc1c(ccc(n1)Br)[N+](=O)[O-] B685435
COC(=O)c1cccc(c1CBr)[N+](=O)[O-] B685445
c1ccc2c(c1)C(=O)N(C2=O)Cc3ccc(s3)CBr B685450
c1ccnc(c1)c2ccc(cc2)CBr B685455
CC(C)C(c1ccc(cc1)C(C)C(=O)O)Br B685460
c1ccn(c1)c2cccc(c2)CBr B685465
c1c([nH]c-2nc(nc(=O)c2n1)N)CBr.Br B685470
c1c(nc2c(nc(nc2n1)N)N)CBr.Br B685475
C/C(=C\Br)/CO B685485
C/C(=C\Br)/CO B685490
c1cc2ccc3ccc(c4c3c2c(c1)cc4)CBr B685500
CC(C)C(=O)CBr B685510
c1cc2c(csc2c(c1)Cl)CBr B685515
Cn1cc(c2c1ncnc2N)Br B685530
CC(C)(C(=O)c1ccc(cc1)S(=O)(=O)C)Br B685550
[2H]C([2H])([2H])C([2H])(CCBr)C([2H])([2H])[2H] B685557
Cc1cc(ccn1)Br B685560
Cc1ccncc1Br B685565
Cc1ccc(nc1)Br B685570
[2H]C([2H])([2H])c1ccc(nc1)Br B685572
Cc1ccnc(c1)Br B685575
Cc1cc(cnc1)Br B685580
COC(=O)c1cc(cc(n1)C(=O)OC)CBr B685585
Cc1ncc(cn1)Br B685595
CS(=O)(=O)SCBr B685605
Cc1ccc(cc1)C(=O)C(C)Br B685625
CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)Br B685640
[2H]C([2H])([2H])c1ccsc1Br B685787
c1cc(ncc1CBr)C(F)(F)F B685830
Cc1cc(cc(c1)C(C)(C)C#N)CBr B685860
[2H]c1c(c(c2c(c1[2H])c(c(c(c2Br)[2H])[2H])[2H])[2H])[2H] B685902
CCCC(C(=O)c1ccc2ccccc2c1)Br B685910
c1cc(cc2c1cc(cc2)Br)N B685940
CC1(C(=C(C(N1O)(C)C)Br)CSS(=O)(=O)C)C B686290
CCCC(C)Br B686315
C(CCS(=O)(=O)O)CCBr.[NaH] B686320
C(CCN)CCBr.Cl B686325
CN(C)CC[C@@H](c1ccc(cc1)Br)c2ccccn2.C(=C\C(=O)O)\C(=O)O B686335
[2H]C([2H])([2H])N(CC[C@@H](c1ccc(cc1)Br)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O B686337
C[N+](C)(C)CCCCCBr.[Br-] B686345
C#CCCCBr B686350
CN(C)CCC(c1ccc(cc1)Br)c2ccccn2.C(=C\C(=O)O)\C(=O)O B686355
c1cc(cc(c1)Br)O B686360
CC(C)(C)[Si](C)(C)Oc1cccc(c1)Br B686365
CC(=O)Oc1ccc(cc1)Br B686370
CC(=O)Oc1ccccc1Br B686375
CN(C)CCOc1ccc(cc1)Br B686380
[2H]C([2H])([2H])N(CCOc1ccc(cc1)Br)C([2H])([2H])[2H] B686382
c1ccc(cc1)OCCBr B686385
CCc1ccc(nc1)CCOc2ccc(cc2)Br B686390
[2H]c1c(c(c(c(c1OCCc2ccc(cn2)CC)[2H])[2H])Br)[2H] B686392
c1ccc2c(c1)c3cc(ccc3[nH]c2=O)Br B686395
CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)Br B686400
C(C(=O)O)(C(=O)O)Br B686410
c1ccc(c(c1)C2CCN2)Br.Cl B686420
c1cc(ccc1C2CNC2)Br B686425
C#Cc1ccccc1Br B686430
C#Cc1ccc(cc1)Br B686435
CC(=O)Cc1ccccc1Br B686440
CC(C)(C)[Si](C)(C)Oc1ccc(cc1)Br B686445
c1cc(ccc1CC(=O)O)Br B686450
CC(C)(c1ccc(cc1)Br)C(=O)O B686453
c1ccc(cc1)C2(c3ccccc3-c4c2cccc4)Br B686455
CS(=O)(=O)c1cccc(c1)Br B686460
c1ccc(cc1)C[C@H](C(=O)O)Br B686465
c1ccc(cc1)C[C@@H](C(=O)O)Br B686470
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Br)Cl B686475
c1cc(ccc1C2(CC2)CO)Br B686480
CN(C)CCC(c1ccc(cc1)Br)(c2cccnc2)O B686485
[2H]C([2H])([2H])N(CCC(c1ccc(cc1)Br)(c2cccnc2)O)C([2H])([2H])[2H] B686487
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Br)C(=O)OCC)C)C B686495
[2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2ccccc2Br)C(=O)OC([2H])([2H])C([2H])([2H])[2H])C)C B686497
CCO/C=C/C(=O)Nc1ccc(cc1)Br B686500
c1cc(cc(c1)Br)NN.Cl B686505
COC(C/N=C/c1cccc(c1)Br)OC B686510
COc1ccc(c(c1)NC=O)CCc2ccccc2Br B686515
c1ccc(cc1)/C=C/C(=O)Nc2ccc(cc2)Br B686520
c1cc(ccc1CC2CCCCCN2)Br.Cl B686525
CCOC(=O)c1ccc(cc1)N2CCN(CC2)Cc3ccccc3Br B686530
[2H]C1(C(N(C(C(N1Cc2ccccc2Br)([2H])[2H])([2H])[2H])c3ccc(cc3)C(=O)OCC)([2H])[2H])[2H] B686532
c1ccc(c(c1)CCO)Br B686535
c1cc(cc(c1)Br)CN2CNC(=S)NC2 B686540
c1cc(cc(c1)Br)c2ccnc3n2ncc3C#N B686550
c1cc(cc(c1)Br)CC2CNC2 B686555
c1cc(ccc1CC2CNC2)Br B686560
c1cc(cc(c1)Br)N2CCNCC2 B686565
c1cc2c(cc1Br)COC2=O B686570
c1cc(c(nc1)C(=O)[O-])Br.[Na+] B686600
c1cnc(cc1Br)C(=O)O B686610
CCCc1ccc(cc1)c2ccc(cc2)Br B686630
CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3(C2CCC4=CC(=O)C=C[C@@]43C)Br)O)C)C)O B686640
CCN(CC)CCNC(=O)c1cc(c(cc1OC)N)Br B686645
[2H]C([2H])([2H])Oc1cc(c(cc1C(=O)NCCN(CC)CC)Br)N B686647
C(CO)CBr B686650
C(C(CBr)O)O B686655
[2H]C([2H])(C([2H])(C([2H])([2H])Br)O)O B686657
CC(=O)SCCCBr B686660
C(C(CO)Br)O B686665
[2H]C([2H])(C(C([2H])([2H])O)Br)O B686667
C[C@@H](C(=O)O)Br B686670
[2H]C([2H])([2H])C([2H])([13C](=O)O)Br B686672
CC(C(=O)OCc1ccccc1)Br B686675
C1CC(=O)N(C1=O)OC(=O)CCBr B686680
B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)CCCBr B686685
CC(C(=O)c1ccccc1)Br B686690
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(C)Br)[2H])[2H] B686692
c1cc(cc2c1ccc(=O)[nH]2)OCCCBr B686695
c1ccc\2c(c1)CC(=O)c3ccccc3/C2=C\CCBr B686700
c1ccc\2c(c1)CC(c3ccccc3/C2=C\CCBr)O B686705
c1cc(ccc1c2coc3cc(ccc3c2=O)OCCCBr)O B686710
c1cc(cnc1)CCCBr.Br B686715
CCCC(CCC)(C(=O)OCC)Br B686720
c1cc[15n]c(c1)Br B686727
Cc1ccc(c(c1)OCCCBr)C B686730
c1cnccc1Br.Cl B686735
c1cc(cnc1)Br B686740
Cn1cnc2c1c(=O)n(c(=O)n2C)CCCBr B686745
c1cc(ncc1Br)C#N B686750
c1cnc(cc1Br)C#N B686753
c1cc(nc(c1)Br)C#N B686755
c1cc(nc(c1)Br)C=O B686760
c1cc(ncc1C=O)Br B686763
c1ccc2c(c1)N(c3ccccc3S2)CCCBr B686765
c1cc(c(nc1)C(=O)O)Br B686770
C1=CC(=CN(=C1)O)Br B686775
c1cc(c[n+](c1)[O-])Br B686780
c1cnncc1Br.Br B686785
CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cn1)Br B686790
c1cc(nc(c1)Br)CCO B686800
c1cc(nc(c1)Br)CO B686810
CNC[C@@H](c1cccc(c1Br)O)O.Cl B686815
CNCC(c1ccc(c(c1)O)Br)O.Cl B686820
CNCC(c1cc(ccc1Br)O)O.Cl B686825
CNC[C@@H](c1cc(ccc1Br)O)O.Cl B686830
CNC[C@@H](c1ccc(c(c1)O)Br)O.Cl B686835
CN(CCO)c1ccc(cn1)Br B686840
c1c(cncn1)Br B686855
c1c(c[nH]c1C=O)Br B686860
c1cc(ccc1C(=O)CBr)S(=O)(=O)N2CCCC2 B686865
c1c(cn[nH]1)Br B686870
c1ccc2c(c1)cc(cn2)Br B686875
c1cc2cc(ccc2nc1)Br B686880
c1cc(cc2c1ccnc2)Br B686885
c1cnc(cn1)C(=O)CBr B686900
c1ccn2c(c1)nn(c2=O)CCCBr B686920
C(C(=O)C(=O)O)Br B686930
c1cc(c(c2c1nccn2)Br)NC(=S)N B686940
c1cc(=O)[nH]c2c1cc(cc2)Br B686950
c1cc2c(cc1Br)ncc(n2)C(=O)O B686960
c1cc(c(cc1Br)O)C=O B686970
c1cc(c(cc1Br)C=O)O B686975
c1cc2c(cc1Br)C(=O)OC23CCNCC3 B686985
C=Cc1ccccc1Br B686990
C1CC(=O)N(C1=O)Br B686995
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C B687000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C B688000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Br)OC(=O)C)OC(=O)C)OC(=O)C B688020
C#CCO[C@H]1[C@@H](CCO1)Br B688040
CC(C)[Si]1(OC[C@@H]2[C@@H](C[C@@H](O2)n3c4c(c(=O)[nH]c(n4)N)nc3Br)O[Si](O1)(C(C)C)C(C)C)C(C)C B688075
CC1(C(=C(C(N1O)(C)C)Br)COS(=O)(=O)C)C B688100
c1csc2c1cc(c(n2)CO)Br B688125
Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Br B688150
c1cc(sc1C2CCCCCN2)Br.Cl B688155
c1csc(n1)Br B688160
CSc1cccc(c1)Br B688165
C1(C(=O)NC(=O)S1)Br B688170
c1cc(sc1C(=O)O)Br B688175
c1c(c(cs1)Br)S(=O)(=O)Cl B688180
c1cc(sc1)Br B688185
c1c(nc(s1)N)Br B688190
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2Br)OC(=O)C)OC(=O)C B688285
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)Br)OC(=O)C)OC(=O)C B688300
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2Br)OC(=O)C)OC(=O)C B688325
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(=O)[nH]c2=O)Br)OC(=O)C)OC(=O)C B688330
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@@H]2OC(=O)C)Br)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C B688335
CC(=O)O[C@@H]1CO[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)Br B688345
COc1ccc(cc1)/C=C/Br B689075
c1c(c(=O)[nH]c(=O)[nH]1)/C=C/Br B689125
c1c(cc(c(c1Br)O)Br)C#N B689175
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Br)O)F B689220
[2H]C1(CC(CC(N1CCCC(=O)c2ccc(cc2)F)([2H])[2H])(c3ccc(cc3)Br)O)[2H] B689222
c1ccc(cc1)c2c(c(=O)nc([nH]2)N)Br B689250
Cc1nnc2n1-c3c(cc(s3)Br)C(=NC2)c4ccccc4Cl B689280
COc1cc2c(cc1OC)N3[C@@H]4[C@]25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6 B689325
CC(C)(C(=O)N[C@@H](CS)C(=O)O)S B689375
COc1cc(c(c(c1)OC)C(=O)CCCN2CCCC2)OC.Cl B689400
C.CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl B689450
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C B689490
[2H]C1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] B689492
CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C B689500
CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C B689505
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4c5ccc(=O)oc5)O)C)O B689510
CC(=C(C)/C=N/Nc1c2ccccc2cnn1)C B689515
CCCCNC(=N)NC(=N)N.Cl B689520
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=N)NC(=N)N B689522
CN(C)CCc1c[nH]c2c1cc(cc2)O B689525
[2H]C([2H])(c1c[nH]c2c1cc(cc2)O)C([2H])([2H])N(C)C B689527
CCc1cccc2c1oc(c2)[C@@H](CNC(C)(C)C)O.Cl B689530
CCc1cccc2c1oc(c2)[C@H](CNC(C)(C)C)O.Cl B689535
CCc1cccc2c1oc(c2)C(CNC(C)(C)C)O.[Cl] B689540
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc2cccc(c2o1)CC)O.Cl B689542
CCCCN1CCCC[C@@H]1C(=O)Nc2c(cccc2C)C.Cl B689545
CCCCN1CCCC[C@H]1C(=O)Nc2c(cccc2C)C B689546
CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O B689550
[2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)NCCCC)[2H])[2H] B689552
CC(C)(C)C1CCC(CC1)CC2=C(C(=O)c3ccccc3C2=O)O B689555
CCCCN1CCCCC1C(=O)Nc2c(cccc2C)C.Cl B689560
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCCCC1C(=O)Nc2c(cccc2C)C.Cl B689562
CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)OCCCC B689565
[2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)OCCCC)NCCCC)[2H])[2H] B689567
CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O)O4)CC7CC7)OC)O.Cl B689570
[2H]C([2H])([2H])O[C@]12CC[C@@]3(C[C@@H]1C(C)(C(C)(C)C)O)[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O.Cl B689572
CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CC[N@@+]([C@@H]3Cc6c5c(c(cc6)O)O4)(CC7CC7)[O-])OC)O B689575
CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O[C@H]7[C@@H](C([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)CC8CC8)OC)O B689580
[2H]C([2H])([2H])O[C@]12CC[C@@]3(C[C@@H]1C(C)(C(C)(C)C)O)[C@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4CC7CC7)O[C@H]8[C@@H](C([C@@H]([C@H](O8)C(=O)O)O)O)O B689582
CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O[C@H]7[C@@H](C([C@@H]([C@H](O7)C(=O)OC)O)O)O)O4)CC8CC8)OC)O B689590
C[C@]1(C(OC23C1CC4([C@H]5Cc6c7c(c(cc6)O)O[C@@H]2[C@]74CCN5CC8CC8)CC3)(C)C)C B689595
[2H]C([2H])([2H])NC(CC)C(=O)c1ccccc1.Cl B689602
CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O B689605
CCCC[N+]1(CCCCC1C(=O)Nc2c(cccc2C)C)[O-] B689610
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N+]1(CCCCC1C(=O)Nc2c(cccc2C)C)[O-] B689612
C[C@H](C(=O)c1cccc(c1)Cl)NC(C)(C)C.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O B689615
C[C@@H](C(=O)c1cccc(c1)Cl)NC(C)(C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O B689620
CC(C(=O)c1cccc(c1)Cl)NC(C)(C)C.Cl B689625
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1cccc(c1)Cl.Cl B689627
CC(C)(C)NCC(COc1cccc2c1CCCC2=O)O.Cl B689660
CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)C6CCC(=O)N6.CC(=O)O B689740
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O.Cl B689850
[2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O)C([2H])([2H])N3CCN(CC3)c4ncccn4.C B689852
CS(=O)(=O)OCCCCOS(=O)(=O)C B689900
[2H]C([2H])(C([2H])([2H])C([2H])([2H])OS(=O)(=O)C)C([2H])([2H])OS(=O)(=O)C B689902
CCC(C)C1(C(=O)NC(=O)NC1=O)CC B689920
[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)C(C)CC B689922
CCCCOCN(c1c(cccc1CC)CC)C(=O)CCl B689925
CCCCN(CCCC)CCNc1nc(no1)c2ccccc2 B689930
[2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)Nc1nc(no1)c2ccccc2 B689932
C1C(C(=O)N(C1=O)OC(=O)CCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] B689935
C=CCCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O.Cl B689940
[2H]C(=C([2H])C([2H])([2H])C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)O)[2H].Cl B689942
CC[C@H](c1ccc(cc1)CC(C)C)C(=O)O B689950
CC[C@H](c1ccc(cc1)CC(C)C)C(=O)O B689955
CC[C@H](c1ccc(cc1)CC(C)C)C(=O)O B689960
[2H]C([2H])([2H])C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O B689962
CCC(c1ccc(cc1)CC(C)C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O B689965
[2H]C([2H])([2H])C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O B689967
B1(Oc2ccccc2O1)/C=C/CC B689975
CC(C)(C)NC[C@H](COc1c(nsn1)N2CCOCC2)OC(=O)/C=C/C(=O)O B689980
CC(C)(C)NC[C@@H](COc1c(nsn1)N2CCOCC2)OC(=O)/C=C/C(=O)O B689985
C=CCCO B689990
CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)N B690000
C=C/C=C/NC(=O)OCC(Cl)(Cl)Cl B690015
CCC(c1ccccc1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O B690025
[2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O B690027
C[13C](=O)[13C](=O)C B690032
CC(C)CC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl B690035
[2H]C1(Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl)C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] B690037
CC(CC1c2ccccc2CCc3c1cccc3)CN(C)C B690050
[2H]C([2H])([2H])N(CC(C)CC1c2ccccc2CCc3c1cccc3)C([2H])([2H])[2H] B690052
C[C@H](CCc1ccc(cc1)O)NC[C@@H](c2ccc(cc2)O)O.Cl B690065
[2H]c1c(c(c(c(c1CC[C@@H](C)NC[C@@H](c2ccc(cc2)O)O)[2H])[2H])O)[2H].Cl B690067
CCCCOc1ccc(cc1)C[N+]2(C3CCC2CC(C3)OC(=O)[C@H](CO)c4ccccc4)C.[Br-] B690080
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(cc1)C[N@@+]2([C@@H]3CC[C@H]2C[C@H](C3)OC(=O)[C@H](CO)c4ccccc4)C.[Br-] B690082
CCOC(=O)c1ccccc1OC(=O)C(C)(C)C B690085
CC1(N([C@H](CO1)C(=O)OC)C(=O)OC(C)(C)C)C B690090
CC(C)(C)OC(=O)N[C@@H]([C@@H]1CC(=NO1)Cl)C(=O)O B690095
CC(C)(C)OC(=O)N[C@@H]([C@H]1CC(=NO1)Cl)C(=O)O B690096
CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C B690100
[2H]C(=C([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CC(C)C)[2H] B690102
CCCCC1(C(=O)NC(=O)NC1=O)CC B690105
[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)CCCC B690107
CC(C)(C)OC(=O)N[C@H](CO)[C@@H]1CC(=NO1)Cl B690110
CC(C)(C)OC(=O)N[C@H](CO)[C@H]1CC(=NO1)Cl B690111
CC1(N([C@H](CO1)C=C)C(=O)OC(C)(C)C)C B690115
CC1(N([C@@H](CO1)C=O)C(=O)OC(C)(C)C)C B690120
c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O B690125
COc1ccc(c(c1)OC)C(=O)/C=C/c2ccc(c(c2)OC)OC B690130
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)OC(=O)C(C)(C)C)OCc5ccccc5 B690135
COc1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)OC)OCCCCCCNC(=O)OCCS(=O)(=O)CCOC(=O)CCC(=O)O B690140
CS(=O)(=O)SCCCCSS(=O)(=O)C B690150
CCCCNCCCCCC(=O)Nc1c(cccc1C)C B690155
CCCCS(=O)(=O)N[C@@H](Cc1ccc(cc1)OCCCCc2ccncc2)C(=O)O B690160
C=CC(CO)O B690165
CCC(C)(C#N)O B690170
CC(C)(C)OC(=O)N(CCc1ccc(cc1)[N+](=O)[O-])C[C@@H](c2ccccc2)O B690175
CC(C)(C)OC(=O)N(CCc1ccc(cc1)N)C[C@@H](c2ccccc2)O B690180
CCCC(=O)O[C@@H]1[C@H]2C([C@H](O1)C3COC(O3)(C)C)OC(O2)(C)C B690185
CCCC(=O)O[C@@H]1[C@H]2C([C@H](O1)C(CO)O)OC(O2)(C)C B690190
CC(C)(C)c1ccc(cc1)CN(C)Cc2cccc3c2cccc3.Cl B690195
C/C=C/C(=O)N B690200
C=CCC(=O)N B690205
C=CCCOP(=O)(N)N(CCCl)CCCl B690208
[2H]C([2H])(C([2H])([2H])Cl)N(CCCl)P(=O)(N)OCCC=C B690209
B(/C=C/CC)(O)O B690210
CC1=C(C(CCC1)(C)C)/C=C/C#C B690215
CC(C)(C)OC(=O)NCCc1cc(c(c(c1)I)O)I B690555
CC(C)(C)OC(=O)NCCc1ccc(c(c1)I)O B690560
CC(/C(=N/OC(=O)NC)/C)SC B690565
[2H]C([2H])([2H])NC(=O)O/N=C(\C)/C(C)SC B690567
CC(C)[Si](C(C)C)(C(C)C)Oc1ccc(cc1)Oc2ccc(cc2I)CCNC(=O)OC(C)(C)C B690570
CC(C)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C B690575
CC(C)(C)OC(=O)NCCc1ccc(cc1)O B690580
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OCCOCCOC1CCCCO1 B690587
CCCCOc1ccc(cc1)O B690590
CC(C)(C)OC(=O)N1CCCCC1=O B690595
CC(C)(C)C1CCCNCC1 B690600
CCCCc1[nH]c(c(n1)COCc2ccccc2)Cl B690605
[2H]C([2H])([2H])CCCc1[nH]c(c(n1)COCc2ccccc2)Cl B690607
CC(C)(C)c1cc2nnc(n2nc1Cl)c3cc(ccc3F)F B690610
CCCCc1nc(c2n1Cc3ccc(cc3C2)c4ccccc4C#N)Cl B690615
CC(C)(C)OC(=O)COCCCl B690620
CC(C)(C)OC(=O)N(CCc1ccc(cc1)NC(=O)Cc2csc(n2)N)C[C@@H](c3ccccc3)O B690220
CC(C)(C)OC(=O)NC1CCC(CC1)O B690225
[2H]C1(CC(CC(C1([2H])NC(=O)OC(C)(C)C)([2H])[2H])O)[2H] B690227
CCCCSCCC(C(=O)O)N B690230
CCCCSCC[C@H](C(=O)O)N B690234
CCCCSCC[C@@H](C(=O)O)N B690235
CCCCS(=O)CC[C@H](C(=O)O)N B690238
CCCCS(=O)CC[C@@H](C(=O)O)N B690240
CCCCS(=O)CCC(C(=O)O)N B690245
CCCCS(=N)(=O)CCC(C(=O)O)N B690250
CC(C)(C)OC(=O)N/C(=C\c1cc(c(cc1F)OC)OC)/C(=O)OC B690255
CCCCS(=N)(=O)CC[C@H](C(=O)O)N B690265
CCCCS(=N)(=O)CC[C@@H](C(=O)O)N B690270
[2H][C@@](C([2H])([2H])Cc1ccc(cc1)Cl)(C([2H])([2H])n2ccnc2)Sc3c(cccc3Cl)Cl.[N+](=O)(O)[O-] B690272
c1cc(c(c(c1)Cl)SC(CCc2ccc(cc2)Cl)Cn3ccnc3)Cl.[N+](=O)(O)[O-] B690273
CC(C)(C)OC(=O)NCCNc1cc2c(cc1Cl)n(cc(c2=O)C(=O)O)C3CC3 B690275
C[C@@H](C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OC(C)(C)C B690278
CC(C)(C)OC(=O)Nc1ccc(c(c1)C(=O)O)O B690280
CC(C)(C)OC(=O)NCc1ccccc1O B690285
CC(C)(C)OC(=O)N1CCCCC1c2cccnc2 B690288
CCNC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc4c3nc(nc4N)NCCc5ccc(cc5)CCC(=O)OC(C)(C)C)OC(O2)(C)C B690290
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)[n+]2cccc(c2)C3CCCCN3C(=O)OC(C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C.[Br-] B690293
CC(C)(C)OC(=O)Nc1c(c(c(c(c1F)F)N=[N+]=[N-])F)F B690295
CC(C)(C)OC(=O)[C@@H]1CCN1CC[C@@H](C(=O)OC(C)(C)C)NCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc2ccccc2 B690300
CC(C)(C)OC(=O)[C@@H]1CCN1CC[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc2ccccc2 B690303
CC(C)(C)OC(=O)NCCNc1cc2c(cc1F)c(=O)c(cn2C3CC3)C(=O)O B690305
Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)CN(CCCO)C(=O)OC(C)(C)C B690310
Cc1cc(ccc1O)OC(=O)OC(C)(C)C B690315
CC(=N)NCc1cccc(c1)CNC(=O)OC(C)(C)C.Cl B690320
CC(=O)O[C@H](CC(=O)N[C@@H](CC(=O)N1CC[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC B690322
CC(=O)O[C@H](CC(=S)N[C@@H](CC(=S)N1CC[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC B690323
CC(=O)O[C@@H](CCN[C@@H](CCN1CC[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC B690325
CC(C)(C)Nc1nc(nc(n1)Cl)NC2CC2 B690326
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)Cl)NC2CC2 B690327
CC(C)(C)Nc1nc(nc(n1)Cl)Cl B690328
CC(C)(C)C(=O)Oc1cc(cc(c1)OC(=O)C(C)(C)C)C(=O)CNC(C)(C)C.Cl B690330
CC(C)(C)OC(=O)NCc1cccc(c1)CN B690335
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)NC2CC2 B690342
CC(C)(C)OC(=O)Oc1ccc(cc1)CSS(=O)(=O)C B690345
CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N B690350
CC(C)(C)OC(=O)Oc1ccc(cc1)CO B690355
CC(C)(C)OC(=O)N1CC[N+](CC1)(CCOCCO)[O-] B690360
CC(C)(C)OC(=O)N1CCN(CC1)C2=Nc3ccccc3Oc4c2cc(cc4)Cl B690365
[2H]C1(C(N(C(C(N1C2=Nc3ccccc3Oc4c2cc(cc4)Cl)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B690367
CC(C)(C)OC(=O)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N B690370
[2H]C([2H])([2H])C(c1cc(cc(c1O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])OC)(C([2H])([2H])[2H])C([2H])([2H])[2H] B690372
CC(C)(C)c1ccc(cc1)/C=C/C(=O)O B690373
CC(C)(C)c1ccc(cc1)CCC(=O)O B690375
CC(C)(C)c1ccc(cc1)CCC(=O)OC B690380
CC(C)C[C@@H](CC(=O)OC)CNC(=O)OC(C)(C)C B690385
CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)O B690390
CC(C)[C@@H]([C@]1(CO[C@@H](N1Cc2ccccc2)C(C)(C)C)C(=O)OC)O B690395
CC(C)CNC[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O B690400
CC(C)(C)OC(=O)[C@H](CCO)NC(=O)OCc1ccccc1 B690403
CC(C)(C)OC(=O)[C@@H]1CCN1C(=O)C[C@@H](C(=O)OC(C)(C)C)NC(=O)OCc2ccccc2 B690405
CC(C)(C)OC(=O)[C@H](CC=O)NC(=O)OCc1ccccc1 B690406
CC(C)(C)OC(=O)[C@@H]1CCN1C(=O)OCc2ccccc2 B690407
CC(C)(C)OC(=O)[C@H](C[C@H](CNC(=O)OCc1ccccc1)O)NC(=O)OC(C)(C)C B690410
CC(C)C/C(=N/O)/c1ccccc1NC(=O)OC(C)(C)C B690415
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)OC B690420
CC1(O[C@@H]2[C@H](O1)[C@@H]3OC[C@H]([C@H]2OCC(CO[C@@H]4[C@H]5CO[C@H](O5)[C@@H]6[C@H]4OC(O6)(C)C)NC(=O)c7cccc(c7)OCCOCCOCCOCCNC(=O)C(C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O3)C B690425
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)O B690430
CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)NS)NC(=O)OC(C)(C)C B690435
CC(C)(C)OC(=O)NC(Cc1cc(c(cc1F)OC)OC)C(=O)OC B690439
CC(C)(C)OC(=O)N[C@@H](Cc1cc(c(cc1F)OC)OC)C(=O)OC B690440
CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCOCCOCCOCCOc1cccc(c1)C(=O)OC)NC(=O)OC(C)(C)C B690445
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCBr)I B690450
[2H]C([2H])(C([2H])([2H])Br)Oc1c(cc(cc1I)C(=O)c2c3ccccc3oc2CCCC)I B690452
CC(C)(C)OC(=O)CCCCCOP(=O)(O)OCCBr B690453
CC(C)(C)OC(=O)C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc2ccccc2 B690455
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1CC(OC1=O)c2cc3cccc(c3o2)C(C)Br B690462
CCCCc1nc(c(n1Cc2ccc(cc2)Br)CO)Cl B690465
CC(C)(C)NC(=O)[C@@H]1CN(CCN1)C(=O)OC(C)(C)C B690470
CC(C)(C)OC(=O)N[C@H](CO)C(=O)OC B690475
CC(OC(=O)N[C@H]1CC[C@H](CC1)OC2OCCCC2)(C)C B690480
[2H][C@]1(C(C[C@H](CC1([2H])[2H])NC(=O)OC(C)(C)C)([2H])[2H])OC2OCCCC2 B690482
CC(OC(=O)N[C@H]1CC[C@@H](CC1)OC2OCCCC2)(C)C B690483
[2H][C@]1(C(C[C@@H](CC1([2H])[2H])NC(=O)OC(C)(C)C)([2H])[2H])OC2OCCCC2 B690484
CC(C)(C)OC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl B690485
[2H]C1(C(N(C(C(N1CCOCC(=O)OC(C)(C)C)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] B690487
CC(C)(C)OC(=O)COCCN1CCN(CC1)[C@@H](c2ccccc2)c3ccc(cc3)Cl B690490
CC(C)(C)OC(=O)N(c1cccc(c1)OC)N B690495
CCCCN1CC([C@H]([C@H](C1CO)O)O)O B690500
CC(=O)c1ccc(cc1)C(C)(C)C B690505
CCOc1ccccc1OCC2CN(CCO2)C(=O)OC(C)(C)C B690510
CCCCc1cc2cc(ccc2o1)N.Cl B690515
CC(C)(C)OC(=O)NCCOc1cccc(c1)OC B690520
Cc1ccccc1NC(=O)OC(C)(C)C B690525
C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C(=O)OC(C)(C)C)F)C(=O)O B690530
CC(C)(C)OC(=O)Nc1ccccc1 B690535
CC(C)(C)OC(=O)N[13c]1[13cH][13cH][13cH][13cH][13cH]1 B690537
Cc1cccc(c1)CN2CCN(CC2)C(=O)OC(C)(C)C B690540
[2H]C1(C(N(C(C(N1Cc2cccc(c2)C)([2H])[2H])([2H])[2H])C(=O)OC(C)(C)C)([2H])[2H])[2H] B690542
C[C@@]1(CO[C@@H]([C@@H](C1N(C)C(=O)OC(C)(C)C)O)OC2[C@@H](CC([C@H]([C@@H]2O)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O B690545
c1cc2c(cc1O)[C@@]34CCCC[C@]3([C@@H](C2)N(CC4)CC5CCC5)O B690550
[2H]C1(C[C@]2([C@H]3Cc4ccc(cc4[C@@]2(CCN3CC5CCC5)C(C1([2H])[2H])([2H])[2H])O)O)[2H] B690552
CCCCc1[nH]cc(n1)Cl B690625
CCCCc1[nH]c(c(n1)Cl)C=O B690630
[2H]C([2H])([2H])CCCc1[nH]c(c(n1)C=O)Cl B690632
B(CCCC)(O)O B690635
CCCCc1[nH]c(c(n1)CO)Cl B690640
CC(C)(C)OC(=O)NCCCl B690645
CCCCOS(=O)(=O)CCCCl B690650
CC(C)(C)OC(=O)NCCCCCC(=O)O B690655
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCNC(=O)OC(C)(C)C)O B690660
CC(C)(C)NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F B690665
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)CN1CCC(CC1)CNC(=O)c2cc(cc(c2)Cl)F.Cl B690667
CCCCOS(=O)(=O)c1ccccc1 B690670
CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)C B691360
CC(=C)[C@@H]1C[C@@H]2[C@@](O2)([C@@H](C1)O[Si](C)(C)C(C)(C)C)C B691365
CC[C@@H](CO[Si](C)(C)C(C)(C)C)N B691370
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO[Si](C)(C)C(C)(C)C)O)C B691375
CC1(OCCO1)CCC(=O)O[Si](C)(C)C(C)(C)C B691380
CC(C)(C)[Si](C)(C)O[C@H]1CCC(=C)/C(=C\CO)/C1 B691385
CC(C)(C)OC(=O)N(C)[C@@H](Cc1ccc(cc1)O[Si](C)(C)C(C)(C)C)C(=O)OC B691390
Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O)O[Si](C)(C)C(C)(C)C)C(=O)OC2 B691395
CC(C)(C)OC(=O)N[C@@H](CCl)[C@@H](CCl)O[Si](C)(C)C(C)(C)C B691400
CC(C)(C)C(C)([C@H]1CC23CCC1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O[Si](C)(C)C(C)(C)C)O4)CC7CC7)O)O B691405
CC(C(C)(C)C(=O)ON1C(=O)CCC1=O)O[Si](C)(C)C(C)(C)C B691410
CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)C=O B691415
CC(C)(C)[Si](C)(C)O[C@@H]1CCOC1=O B691420
CC(C)(C)[Si](C)(C)O[C@H]1CCOC1=O B691425
CC(C)c1c(c(c(c(n1)C(C)C)CO[Si](C)(C)C(C)(C)C)c2ccc(cc2)F)CO B691430
CC(C)c1c(c(c(c(n1)C(C)C)C=O)c2ccc(cc2)F)CO[Si](C)(C)C(C)(C)C B691435
Cc1nc(cs1)/C=C(\C)/[C@H](C/C=C(/C)\CO)O[Si](C)(C)C(C)(C)C B691440
CC(C)(C)[Si](C)(C)OCCN(C)c1ccc(cn1)O B691445
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[Si](C)(C)C(C)(C)C B691450
[2H]C1(C(C1(C#C)O[Si](C)(C)C(C)(C)C)([2H])[2H])[2H] B691457
CC(=O)[C@H](CCO)O[Si](C)(C)C(C)(C)C B691460
CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)C3CO3 B691465
CC(C)(C)[Si](C)(C)OCCO B691470
CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)COC(=O)C(C)(C)C)(C)C)O B690675
CC(C(=O)c1ccc(c(c1)Cl)Cl)NC(C)(C)C.Cl B690685
[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])NC(C)C(=O)c1ccc(c(c1)Cl)Cl.Cl B690687
CC(C(=O)c1cc(cc(c1)Cl)Cl)NC(C)(C)C.Cl B690690
[2H]C([2H])([2H])C(C)(C([2H])([2H])[2H])NC(C)C(=O)c1cc(cc(c1)Cl)Cl.Cl B690692
CC(C)(C)OC(=O)c1ccc(cc1)Br B690695
CC(C)(C)OC(=O)/C=C/c1ccc(cc1)CC#N B690700
CCCCNc1ccc(cc1)C(=O)OCC B690705
CC([C@H]1CC[C@@H](CC1)C(=O)NC(C(=O)O)Cc2ccccc2)(C)C B690720
CCCCOS(=O)(=O)C1CC1 B690730
CCCCN1CC([C@H]([C@@H](C1CO)O)O)O.Cl B690750
CC(C)(C)[C@@H](C(=O)O)NC(=O)NC(C)(C)C B690780
CC(C)(C)[C@@H](C(=O)OCc1ccccc1)NC(=O)NC(C)(C)C B690785
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)(C)C B690787
CC1([C@@H]2C[C@H]1C(=CC2O)COC(=O)C(C)(C)C)C B690800
CC1([C@H]2CC=C([C@@H]1C2)COC(=O)C(C)(C)C)C B690815
CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O B691020
CCCCC1=NC(=O)C2(N1)CCCC2.Cl B691030
[2H]C([2H])([2H])CCCC1=NC2(CCCC2)C(=O)N1 B691032
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC1=NC2(CCCC2)C(=O)N1 B691033
CC(C)(C)OC(=O)C=[N+]=[N-] B691035
CC(C)(C)c1cc(nnc1Cl)Cl B691040
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C B691045
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I B691050
CC(C)(C)/N=C/N(C)C B691055
Cc1cc(c(c(c1CC(=O)N)C)O)C(C)(C)C B691060
CC(C)(C)NC(C)(C)C#C B691070
CC1(O[C@H](C[C@H](O1)CS(=O)(=O)c2nnnn2c3ccccc3)CC(=O)OC(C)(C)C)C B691075
CC(C)(C)[Si](C)(C)Cl B691080
C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(CO)O)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC B691090
CC(C)(C)[Si](C)(C)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)O B691095
CC(C)(C)[Si](C)(C)Oc1cc(cc2c1NC(=O)OC2(C#CC3CC3)C(F)(F)F)Cl B691100
[2H]C1(C(C1([2H])[2H])C#CC2(c3cc(cc(c3NC(=O)O2)O[Si](C)(C)C(C)(C)C)Cl)C(F)(F)F)[2H] B691102
CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)C=O B691105
CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)C(=O)O B691110
CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)C(=O)OCC B691113
CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)CO B691115
CCCCCc1cc2c(c(c1)O[Si](C)(C)C(C)(C)C)[C@@H]3C=C(CC[C@H]3C(O2)(C)C)COC(=O)C B691120
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)CCC)O[Si](C)(C)C(C)(C)C B691125
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[Si](C)(C)C(C)(C)C)C)O)C)O B691130
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)O)C)O B691135
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1)O[Si](C)(C)C(C)(C)C)C(=O)OC B691140
C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O[Si](C)(C)C(C)(C)C B691150
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)O B691155
CCC(C)(C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@]3([C@H]1[C@H]([C@H](C=C3)C)CC[C@@H]4C[C@H](CC(=O)O4)O[Si](C)(C)C(C)(C)C)OC2O)Cl B691160
CCC(C)(C)C(=O)O[C@H]1C[C@@H]2[C@@H]([C@]3([C@H]1[C@H]([C@H](C=C3)C)CC[C@@H]4C[C@H](CC(=O)O4)O[Si](C)(C)C(C)(C)C)OC2=O)Cl B691165
CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H]([C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)Cl)C B691170
CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H]([C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)Cl)/C=N/O B691175
CC(C)CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C B691185
[2H]C([2H])([2H])C([2H])(CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C)C([2H])([2H])[2H] B691187
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[Si](C)(C)C(C)(C)C)C)C)O B691190
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O[Si](C)(C)C(C)(C)C B691195
CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)C)OC(=O)C B691200
[2H]C1(C[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)O[Si](C)(C)C(C)(C)C)[2H] B691212
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C=C[C@@H](C4)O[Si](C)(C)C(C)(C)C)C B691220
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)C B691230
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[Si](C)(C)C(C)(C)C B691240
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](O[C@H]1n2ccc(=O)[nH]c2=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5 B691250
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C)O[Si](C)(C)C(C)(C)C B691255
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)C)O[Si](C)(C)C(C)(C)C B691260
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#C/C(=C/CO[Si](C)(C)C(C)(C)C)/C)/C B691270
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O[Si](C)(C)C(C)(C)C B691275
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OCCC#N)OCCC#N)NC(=O)CCC)O[Si](C)(C)C(C)(C)C B691280
CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)CO[Si](C)(C)C(C)(C)C B691285
CC1=C2[C@H](C(=O)[C@@]3([C@@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B691290
Cc1c(ccnc1CS(=O)c2[nH]c3cc(ccc3n2)O[Si](C)(C)C(C)(C)C)OCC(F)(F)F B691295
CC1=C2[C@H](C(=O)[C@@]3([C@H]([C@@H]([C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)O)C)OC(=O)C B691300
CC(C)(C)[Si](C)(C)OCC1[C@H]([C@@H](C([C@@H](O1)O)O)O)O B691305
CC(C)(C)[Si](C)(C)N(C)C(=O)C(F)(F)F B691310
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO[Si](C)(C)C(C)(C)C)O B691315
CC(C)(C)[Si](C)(C)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O)C B691320
CC(C)(C)[Si](C)(C)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=CC4=O)C B691325
Cc1c(ccnc1CO)O[Si](C)(C)C(C)(C)C B691330
CC(C)(C)[Si](C)(C)Oc1ccc(cc1)c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCCN5CCCCC5 B691335
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[Si](C)(C)C(C)(C)C)O)N5CCCCC5 B691337
CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)sc(c2C(=O)c3ccc(cc3)OCCN4CCCCC4)c5ccc(cc5)O B691340
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O[Si](C)(C)C(C)(C)C)N5CCCCC5 B691342
Cc1c2c(c(c(c1OC)C/C=C(\C)/CCC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[Si](C)(C)C(C)(C)C)O)O)O)O[Si](C)(C)C(C)(C)C)C(=O)OC2 B691345
C/C(=C\CO[Si](C)(C)C(C)(C)C)/I B691350
CC[C@@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)C B691355
[2H]C([2H])(C([2H])([2H])O[Si](C)(C)C(C)(C)C)O B691472
[2H]C([2H])(C([2H])([2H])O[Si](C)(C)C(C)(C)C)O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C B691477
CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)O B691480
CC(C)(C)[Si](C)(C)Oc1cc(ccc1OC)C=O B691485
CC(C)(C)[Si](C)(C)OCc1cnc(s1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O B691490
CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)nc([nH]2)S B691495
CC(C)(C)[Si](C)(C)OC(CC(=O)NC)CC(=O)O B691500
CC(C)(C)[Si](C)(C)OC(CC(=O)NC)CC(=O)OC B691505
C[C@@H](CCS(=O)(=O)c1ccccc1)CO[Si](C)(C)C(C)(C)C B691510
CC(C)c1c(c(c(c(n1)C(C)C)/C=C/C=O)c2ccc(cc2)F)CO[Si](C)(C)C(C)(C)C B691512
Cc1nc(cs1)/C=C(\C)/[C@H](CCO)O[Si](C)(C)C(C)(C)C B691515
C[C@@H](CO)CO[Si](C)(C)C(C)(C)C B691520
Cc1ccc(cc1)S(=O)(=O)OC[C@@H](C)CO[Si](C)(C)C(C)(C)C B691525
[2H]C([2H])([2H])C(CO[Si](C)(C)C(C)(C)C)(C([2H])([2H])[2H])OC(=O)C B691527
[2H]C([2H])([2H])C(CO[Si](C)(C)C(C)(C)C)(C([2H])([2H])[2H])O B691532
CC(C)(C)[Si](C)(C)Oc1ccc(c(c1)[N+](=O)[O-])N B691535
CC(C)(C)[Si](C)(C)OCc1ccncc1 B691540
CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)CO B691545
CCOC(=O)CC(CC(=O)OCC)O[Si](C)(C)C(C)(C)C B691550
CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C B691555
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO[Si](C)(C)C(C)(C)C)O B691560
CC(C)(C)[Si](C)(C)OCCC=O B691565
CC[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(=O)N[C@@H](CC)CO[Si](C)(C)C(C)(C)C B691570
CC(C)(C)[Si](C)(C)OCCCO B691575
Cc1ccc(cc1)S(=O)(=O)OC(CO[Si](C)(C)C(C)(C)C)C#N B691580
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C3CC(CC(=O)O3)O[Si](C)(C)C(C)(C)C B691585
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4(C3=CC[C@@H]4O[Si](C)(C)C(C)(C)C)C)O B691590
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O[Si](C)(C)C(C)(C)C B691595
CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC3CCCCO3 B691600
Cc1nc(cs1)CC(C)[C@H](C/C=C(/C)\CCC[C@H](C)CO)O[Si](C)(C)C(C)(C)C B691605
C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)C B691610
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@]2([C@@H](/C=C\3/C[C@H](CCC3=C)O[Si](C)(C)C(C)(C)C)O)O)C B691615
CC(C)(C)[Si](C)(C)OC1(CC1)C#C[Si](C)(C)C B691620
[2H]C1(C(C1(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)([2H])[2H])[2H] B691622
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C3C4=C(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)CS3(=O)=O)C B691625
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O[Si](C)(C)C(C)(C)C)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C B691630
C[C@]12CC[C@H]3[C@@]1(C3)[C@H](C[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@H](C[C@@H]5O[Si](C)(C)C(C)(C)C)O)C)OC B691635
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3CCCCCCC(=O)OC)O)O B691640
CC(C)(C)[Si](C)(C)OC1CC(Oc2c1cc(cc2)F)C(CNCC(C3CCc4cc(ccc4O3)F)O)O B691645
CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(=O)[nH]c2=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)OC(=S)Oc6ccccc6 B691650
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)OC)O)OC4CCCCO4 B691655
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3CCCCCCC(=O)OC)O)OC4CCCCO4 B691660
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@H]4[C@@H]3CC(=O)O4)OC5CCCCO5 B691665
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@H]4[C@@H]3CC(=O)O4)O B691670
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)N)O[Si](C)(C)C(C)(C)C B691675
CC(C)(C)C1OCC(CO1)C(=O)OC B691680
C[C@H](C1CCC(CC1)CO[Si](C)(C)C(C)(C)C)N B691685
CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\CO[Si](C)(C)C(C)(C)C)\C)/C B691690
CC(C)(C)[Si](C)(C)OCC1CCC(CC1)CO B691695
CC(c1ccccc1)/N=C/C2CCC(CC2)CO[Si](C)(C)C(C)(C)C B691700
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)OC[C@H]3[C@@H](C[C@@H]([C@@H]3CCCCCC(C(=O)OC)[Se]c4ccccc4)O)OC5CCCCO5 B691705
CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1n2ccc(=O)[nH]c2=O)COC(c3ccccc3)(c4ccccc4)c5ccccc5)O B691710
CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O[Si](c3ccccc3)(c4ccccc4)C(C)(C)C)(CO)O)C B691715
CC1(O[C@@H]2[C@H]([C@H]3[C@H]([C@@H]([C@@H]2O1)O[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)OC(O3)(C)C)O)C B691720
CCOC(=O)N1[C@H](OC(=O)[C@@]1(C)Cc2c[nH]c3c2cccc3)C(C)(C)C B691725
CCOC(=O)N1[C@@H](C(=O)O[C@@H]1C(C)(C)C)Cc2c[nH]c3c2cccc3 B691730
CCOC(C)O[C@H]1[C@H]2[C@H]([C@@H]([C@H]3[C@@H]1OC(O3)(C)C)O[Si](c4ccccc4)(c5ccccc5)C(C)(C)C)OC(O2)(C)C B691735
CCc1cccc2c1oc(c2)C3CN(C(=O)O3)C(C)(C)C B691740
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1CC(OC1=O)c2cc3cccc(c3o2)CC B691742
CC(C)(C)CCSS(=O)(=O)C B691745
CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)O B691750
CC(C)c1c(c(nc(n1)N)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691753
CC(C)c1c(c(nc(n1)O)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691755
CC(C)c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O B691758
CC(C)c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691759
CC(C)c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C B691760
CCCCn1c2ccccc2c(c(c1=O)C3=NS(=O)(=O)c4ccccc4N3)O B691765
[Li+].CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OP(=O)([O-])O[C@H]6[C@H]7[C@H]([C@@H]([C@@H]8[C@H]6OC(O8)(C)C)OC(C)OCC)OC(O7)(C)C B691770
CC(C)(C)[Si](C)(C)OS(=O)(=O)C(F)(F)F B691775
CCCCC1(C(=O)NC(=O)N(C1=O)O)CC B691780
Cc1cc2c(nc(nc2s1)NCC(=O)OC(C)(C)C)c3ccccc3F B691790
CC1(O[C@H](C[C@@H](O1)C=O)CC(=O)OC(C)(C)C)C B691795
CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=O B691800
[2H]C([2H])([2H])CCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=O B691802
CC(C)(C)[C@H]1N([C@@H](CO1)C(=O)OC)C=O B691810
CC(C)c1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)OC(=O)c3ccccc3)OC(=O)c4ccccc4)OC(=O)c5ccccc5)C(C)C)O[Si](c6ccccc6)(c7ccccc7)C(C)(C)C B691815
CC(C)c1cc(cc(c1O)C(C)C)O[Si](c2ccccc2)(c3ccccc3)C(C)(C)C B691820
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO[Si](C)(C)C(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C B691830
CC(C)(C)OC(=O)COCCOCCOCCOCCOCCOCCOCCCCCCCCCC=C B691850
CC(C)(C)[Si](C)(C)OCc1ccc(cc1)C(=O)C(F)(F)F B691870
CC(C)(C)[Si](C)(C)OCc1ccc(cc1)Br B691880
CC(=O)SCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCC(=O)OC(C)(C)C B691925
CCCCc1c(c2ccccc2o1)C(=O)c3ccc(cc3)O B691950
CCCCOC(=O)CCCCCO B691960
CCCCc1[nH]cc(n1)O B691980
CC(c1cccc2c1oc(c2)C3CN(C(=O)O3)C(C)(C)C)O B691990
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1CC(OC1=O)c2cc3cccc(c3o2)C(C)O B691992
CC(C)(C)OC(=O)CCCCCO B691995
CCCCc1[nH]c(cn1)CO B692000
[2H]C([2H])([2H])C([2H])([2H])C(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)O B692027
CCCCc1ccc(cc1)C(C)C(=O)O B692200
[2H]C([2H])([2H])C(c1ccc(cc1)CCCC)C(=O)O B692202
CCC/C=C\1/c2ccccc2C(=O)O1 B692250
[2H]/C(=C/1\c2ccccc2C(=O)O1)/C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] B692252
CCCCn1ccnc1 B692300
CCCCn1ccc2c1cccc2 B692380
CC(C)(C)OC(=O)c1ccc(cc1)I B692420
CC(C)OC(C)(C)C B692450
CCCCn1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl B692500
CCCCc1cc2cc(ccc2o1)NS(=O)(=O)C B693000
CCCCSS(=O)(=O)C B693275
CCC(C)c1c(nccn1)OC B693285
CCCCc1ccc(c(c1)C)N B693290
[2H]C([2H])([2H])C1(COC(OC1)C(C)(C)C)C(=O)O B693297
[2H]C([2H])([2H])C1(COC(OC1)C(C)(C)C)C(=O)OC=C B693302
[2H]C([2H])([2H])C1(COC(OC1)C(C)(C)C)C(=O)OC B693307
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC B693320
[2H]C([2H])([2H])C([2H])([2H])C(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC B693322
B(c1ccc2ccc(cc2c1)CCCC)(O)O B693350
CCCCO[N+](=O)[O-] B693400
CCCCc1cc2cc(ccc2o1)[N+](=O)[O-] B693475
CC(C)(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C B693480
Cc1ccc(cc1)S(=O)(=O)O[C@@H]2C[C@H](N(C2)C(=O)OC(C)(C)C)C(=O)OC B693485
CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)Cc2cc(c(cc2C(=O)O)OC)OC B693490
CC(C)(C)OC(=O)N1CCc2c1ccc(c2)c3cn(c4c3c(ncn4)N)C B693495
CCC1(CCCN1C(=O)OC(C)(C)C)O B693500
CC(C)(C)OC(=O)N1CCCC1([13CH2][13CH3])O B693502
C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)OCc3ccccc3)NC(=O)OC(C)(C)C B693505
CC(CO)NC(=O)OC(C)(C)C B693510
CC(COC)NC(=O)OC(C)(C)C B693515
[2H]C([2H])([2H])OCC(C)NC(=O)OC(C)(C)C B693517
CC(C)(C)OC(=O)CCNC(=O)C(C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C B693520
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OC(C)(C)C)O B693525
CC(C)(C)OC(=O)NCCOc1ccc(cc1OC)OCc2ccccc2 B693530
CC(=O)Oc1ccc(c(c1)OC)OCCNC(=O)OC(C)(C)C B693535
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)c6ccccc6)O)O B693542
CC(C)(C)OC(=O)NCCNC(=O)Nc1ccc2c(c1Br)nccn2 B693545
CCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 B693550
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 B693552
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)Oc1ccc(cc1)[N+](=O)[O-] B693577
CCCCN1C2CC(CC1C3C2O3)OC(=O)[C@H](CO)c4ccccc4.Cl B693580
CCCCN1CC(=O)N2[C@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc6c(c5)OCO6 B693585
CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4C#N B693590
[2H]c1c(c(c(nc1[2H])[2H])[2H])NC(=O)C2CC[C@@H](CC2)[C@H](NC(=O)OC(C)(C)C)C B693597
CCCCOC(=O)c1ccc(cc1)O B693600
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)c1ccc(cc1)O B693602
CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccc(cc1)OCc2ccccc2 B693605
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)c1ccc(cc1)OCc2ccccc2 B693610
CC(C)(C)OC(=O)N[C@@H](CC(=O)OC)c1ccc(cc1)O B693615
Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)OCc5ccccc5)NC(=O)OC(C)(C)C)C(C)C B693620
CCCCNP(=O)(Cl)Cl B693640
CCCCNP(=O)(N)N B693650
CC(C)(C)OC(=O)CCCCCOP(=O)([O-])OCC[N+](C)(C)C B693670
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cccc(c1)O B693727
CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)[C@H](CO)c4ccccc4)C.[Br-] B693750
CC(C)(C)S(C)(C)N.O B693760
CCCC(=O)N1C(COC1=O)Cc2ccccc2 B693775
CCCC[N+](C)(C)C.[Cl-] B693780
CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C C175045
CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C C175050
CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C C175060
CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)N)C C175065
CCCC(=O)Nc1ccc(c(c1)C(=O)O)O B693800
[Li+].[Li+].CCCC(=O)OP(=O)([O-])[O-] B693820
CC(C)(C)Sc1cccnc1C(=O)O B693860
CCCCNP(=S)(N)N B694000
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)c1ccccc1)NC(=O)C)O[Si](C)(C)C(C)(C)C B699115
CC(C)(C)c1cc(ccc1OC)O B699300
[2H]C([2H])([2H])Oc1ccc(cc1C(C)(C)C)O B699302
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)OC)C(=O)OC B699920
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)OC)NC(=O)CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC)C(=O)OC B699940
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCC B750100
C[C@@H](C#C)N B754500
[2H]C([2H])(C#CC([2H])([2H])O)O B755007
[2H]C([2H])(C#CC([2H])([2H])OC(=O)C)OC(=O)C B755027
CS(=O)(=O)SCCC#C B755300
Cc1ccc(cc1)S(=O)(=O)OCCC#C B755400
C[N+](C)(C)CCCC(=O)[O-].Cl B759500
[2H]C([2H])([2H])[N+](CCCC(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H].Cl B759502
[2H]C1(CCC(=O)O1)[2H] B760100
[2H]C1(C(=O)OC(C1([2H])[2H])([2H])[2H])[2H] B760102
C1CC(=O)OC1 B760995
CCOC(=O)C(CCCC#N)C(=O)OCC B802500
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCC)O)O B802515
CCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O B802525
CCCC(=O)N[C@@H](CO)[C@@H](/C=C/CC)O B802550
CCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O B802600
CCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-] B802700
CCN1CCC[C@H]1CNC(=O)c2c(cccc2OC)O B802800
CC(C)(C)OC(=O)N1CCC(CC1)N(c2ccccc2)C(=O)C=C B806945
CC(C)(C)OC(=O)N1CCC(CC1)Nc2ccccc2 B807000
[2H]c1c(c(c(c(c1[2H])[2H])NC2CCN(CC2)C(=O)OC(C)(C)C)[2H])[2H] B807002
CC(C)(C)OC(=O)N1CCC(CC1)N(c2ccccc2)C(=O)CCO B809000
CCCC(=O)SCC[N+](C)(C)C.[I-] B810500
C[C@H]1[C@@](CCN(C1)[C@H]2CC[C@@](CC2)(c3ccc(cc3)F)C#N)(C(=O)O)c4ccccc4.Cl C045500
CC1=C2[C@@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC)C)OC C046500
[2H]C([2H])([2H])O[C@@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)c5ccccc5)(C4(C)C)O)OC(=O)[C@@H]([C@H](c6ccccc6)NC(=O)OC(C)(C)C)O)C)OC([2H])([2H])[2H])C)OC(=O)C C046502
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)CC=C C050000
[2H]C(=C([2H])C([2H])([2H])N1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N(CCCN(C)C)C(=O)NCC)[2H] C050002
CCNC(=O)N(CCC[N+](C)(C)[O-])C(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)CC=C C050010
[Cl-].[Cl-].[Cd+2] C059000
CCC(C)SP(=O)(OCC)SC(C)CC C060000
[2H]C([2H])([2H])C([2H])([2H])OP(=O)(SC(C)CC)SC(C)CC C060002
c1cc(c(cc1/C=C/C(=O)O)O)O C080000
c1cc(c(cc1/[13CH]=[13CH]/[13C](=O)O)O)O C080002
c1ccc(cc1)COC(=O)/C=C/c2ccc(c(c2)O)O C080005
[2H]c1c(c(c(c(c1[2H])[2H])COC(=O)/C=C/c2ccc(c(c2)O)O)[2H])[2H] C080007
COc1ccc(cc1OC)/C=C/C(=O)OCCc2ccccc2 C080010
c1cc(c(cc1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O C080015
c1cc(c(cc1/C=C/C(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C080020
c1cc(c(cc1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O C080025
COc1cc(ccc1O)/C=C/C(=O)OCCc2ccccc2 C080030
COC(=O)/C=C/c1ccc(c(c1)O)O C080040
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/C=C/C(=O)OC)C(=O)OC)OC(=O)C C080045
c1ccc(cc1)CCOC(=O)/C=C/c2ccc(c(c2)O)O C080050
Cn1cnc2c1c(=O)n(c(=O)n2C)C C080100
[2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])C([2H])([2H])[2H] C080102
CC(c1ccccc1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3[nH]c(nc4=O)N)O)O C084900
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC(C)c1ccccc1[N+](=O)[O-])OC(C)c2ccccc2[N+](=O)[O-])N)O C085000
CC(=O)OCOC(=O)CN(Cc1c(ccc2c1Oc3c(ccc(c3CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)OC(=O)C)C24c5ccccc5C(=O)O4)OC(=O)C)CC(=O)OCOC(=O)C C125400
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C C125700
[2H]C(=C\1CC[C@@H](C/C1=C(\[2H])/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C)O)[2H] C125701
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C([2H])([2H])[2H])O C125702
C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C C144200
[2H]C1(C(C1([2H])[2H])[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O)[2H] C144202
C[C@H](/C=C/[C@H](C1CC1)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C C144210
[2H]C1(C(C1([2H])[2H])[C@@H](/C=C/[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C\4/C[C@H](C[C@@H](C4=C)O)O)C)O)[2H] C144212
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C C144490
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C C144500
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O C144502
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C C144510
CC1=C(C[C@H](C[C@@H]1O)O)[C@@H]2C=C3[C@@H]4CC[C@@H]([C@]4(CC[C@H]3n5n2c(=O)n(c5=O)c6ccccc6)C)[C@H](C)CCCC(C)(C)O C144520
C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C C144550
C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O C145000
C[C@H](c1cccc2c1cccc2)N[C@H]3CCCCC3NC(=O)c4ccc(cc4)Cl C148000
C[C@H](c1cccc2c1cccc2)NC(=O)c3cc4ccccc4[nH]3 C148650
C[C@@H](c1cccc2c1cccc2)NC(=O)c3cc4ccccc4[nH]3 C148651
C[C@H](c1cccc2c1cccc2)N[13C](=O)c3cc4ccccc4[nH]3 C148652
C[C@@H](c1cccc2c1cccc2)N[13C](=O)c3cc4ccccc4[nH]3 C148653
C[C@H](c1cccc2c1cccc2)NCc3cc4ccccc4[nH]3.Cl C148700
[2H][13C]([2H])(c1cc2ccccc2[nH]1)N[C@H](C)c3cccc4c3cccc4.Cl C148702
C[C@@H](c1cccc2c1cccc2)NCc3cc4ccccc4[nH]3.Cl C148705
[2H][13C]([2H])(c1cc2ccccc2[nH]1)N[C@@H](C)c3cccc4c3cccc4.Cl C148707
C[C@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C)O)C C148900
CN1c2ccc(cc2C(=NC(C1=O)OC(=O)N(C)C)c3ccccc3)Cl C149300
[2H][13C]([2H])([2H])N1c2ccc(cc2C(=NC(C1=O)OC(=O)N(C)C)c3ccccc3)Cl C149302
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)O)OC)OC)OC C150300
[2H]C([2H])([2H])C([2H])(C(C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C155302
[2H]C([2H])([2H])C([2H])([C@H](C)CCC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C155303
C[C@H](CC[C@@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C155360
[2H]C([2H])([2H])C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C C155362
[2H]C([2H])([2H])[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C C155363
[2H]C([2H])([2H])C([2H])(C(C)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C155364
C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)Cl C165000
C[C@@]1(CC[C@@H](C1(C)C)C(=O)O)C(=O)O C165900
CC1([C@@H]2CC[C@]1(C(=O)C2=O)CS(=O)(=O)O)C.O C173000
CC1([C@@H]2CC[C@]1(C(=O)C2=O)CS(=O)(=O)Cl)C C174990
CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)Cl)C C175070
CC1([C@@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)Cl)C C175075
CC1([C@H]2CC[C@]13CS(=O)(=O)N=C3C2)C C175080
CC1([C@@H]2CC[C@@]13CS(=O)(=O)N=C3C2)C C175085
CC1([C@H]2CCC13CS(=O)(=O)N4[C@]3(C2)O4)C C175095
CC1([C@@H]2CCC13CS(=O)(=O)N4C3(C2)O4)C C175100
CC1([C@@H]2CCC13CS(=O)(=O)N[C@@H]3C2)C C175125
CC[C@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175145
[2H]C([2H])([2H])C([2H])([2H])[C@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175147
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175150
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O C175152
COc1ccc2c(c1OC)CN3CCc4cc5c(cc4C3C2)OCO5 C175175
Cc1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O C175190
COCCOC[C@@H](C(=O)Oc1cc2c(cc1)CCC2)CC3(CCCC3)C(=O)N[C@H]4CC[C@H](CC4)C(=O)O C175200
CCCCCc1cc(c(c(c1)O)C2C=C(CC[C@H]2C(=C)C)C)O C175300
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c(c(c1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O C175302
CCCCCc1cc(c(c(c1)O)[C@H]2C=C(CC[C@@H]2C(=C)C)C)O C175305
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H]3C=C(CC[C@H]3C(=C)C)C)O C175312
CCNC(=O)OC1CCN(CC1)c2c3cc(c(cc3cnn2)OC)OC C175790
[2H]C1(CC(CC(N1c2c3cc(c(cc3cnn2)OC)OC)([2H])[2H])OC(=O)NCC)[2H] C175792
CC(C)NCC(COc1cccc2c1c3ccccc3[nH]2)O.Cl C175810
[2H]C([2H])([2H])C(C([2H])([2H])[2H])NCC(COc1cccc2c1c3ccccc3[nH]2)O.Cl C175812
COC(=O)N/N=C/c1c[n+](c2ccccc2[n+]1[O-])[O-] C175825
[2H]C([2H])([2H])OC(=O)N/N=C/c1c[n+](c2ccccc2[n+]1[O-])[O-] C175827
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N C175840
[2H]C1=C(c2ccccc2N(c3c1cccc3)C(=O)N)[2H] C175843
[2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C1=C(c2ccccc2N(c3c1cccc3)C(=O)N)[2H] C175844
c1ccc2c(c1)C3C(O3)c4ccccc4N2C(=O)N C175850
CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CC[C@H]2C(=C)C)C C175315
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Cc1cc(c-2c(c1)OC(c3c2cc(cc3)C)(C)C)O C175352
CCCCCc1cc(c(c(c1)O)C/C=C(\C)/CCC=C(C)C)O C175370
C(CONC(=N)N)C(C(=O)O)N.OS(=O)(=O)O C175500
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC(C)(C)C C175565
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OCC C175570
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)O C175575
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)O C175577
[2H]c1c(c(c(c(c1Cn2c3c(cccc3nc2OCC)C(=O)O)[2H])[2H])c4ccccc4c5[nH]nnn5)[2H] C175578
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC(C)OC(=O)OC6CCCCC6 C175580
CC(OC(=O)c1cccc2c1n(c(n2)OC)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)OC(=O)OC6CCCCC6 C175585
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)O)O)O)O)C(=O)O C175590
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC C175595
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C(=O)OC C175597
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C C175610
CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@H](C([C@H](O2)C)O)O)F C175650
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O)F C175652
CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]3C([C@H](O2)C)OC(=O)O3)F C175660
CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)c3ccccc3)O)F.CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)OC(=O)c3ccccc3)F C175670
CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O C175680
[2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCCC=CC(C)C C175682
CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O C175685
[2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(C)C C175687
CC(C)/C=C\CCCCC(=O)NCc1ccc(c(c1)OC)O C175690
[2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C\C(C)C C175692
c1cc(ccc1CCNC(=S)N2CCCc3cc(c(cc3C2)O)O)Cl C175710
CC(C)CCCCCCCCCCCCNC(=O)C C175715
[2H]C([2H])([2H])C(=O)NCCCCCCCCCCCCC(C)C C175717
C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl C175725
[2H]C1=C(C(C2C(C1([2H])[2H])C(=O)N(C2=O)SC(Cl)(Cl)Cl)([2H])[2H])[2H] C175727
CC1=C(C(C(=O)CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCC(=O)C2(C)C)C)\C)\C)/C)/C C175735
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O C175750
[2H][C@]1(CCC(N1C(=O)[C@H](C)CS)([2H])[2H])C(=O)O C175752
C[C@H](CSSC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)O)C(=O)N2CCC[C@@H]2C(=O)O C175760
C(CCCCO)CCCCSC(=[NH2+])N.[Br-] C175780
CCCOC(=O)N C175785
[2H]C12c3ccccc3N(c4ccccc4C1(O2)[2H])C(=O)N C175853
[2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C12c3ccccc3N(c4ccccc4C1(O2)[2H])C(=O)N C175854
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)NC(=O)N C175860
C([C@@H](C(=O)O)NC(=O)N)S C175865
C(C(C(=O)O)F)NC(=O)N C175870
[13CH2]([13CH]([13C](=O)O)F)NC(=O)N C175872
C(=N)(N)NC(=O)N.Cl C175873
c1nc2c(n1CC(C(=O)N)O)c(=O)[nH]c(n2)N C175875
CC1(CC(C(N1O)(C)C)C(=O)N)C C175880
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCC(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+] C175885
CC1(C=C(C(N1O)(C)C)C(=O)N)C C175890
CNC(=O)Oc1cccc2c1cccc2 C175895
[2H]c1c(c(c2c(c1[2H])c(c(c(c2OC(=O)NC)[2H])[2H])[2H])[2H])[2H] C175897
COC(=O)Nc1[nH]c2ccccc2n1 C175900
[2H]c1c(c(c2c(c1[2H])[nH]c(n2)NC(=O)OC)[2H])[2H] C175902
CCOC(=O)N1CCCC(=O)CC1 C175905
CCOC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 C175910
CC(Cc1ccc(c(c1)O)O)(C(=O)O)NN C175915
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])c1ccc(c(c1)O)O)NN C175917
CN(C)CCOC(c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C175920
[2H]C([2H])([2H])N(CCOC(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H] C175922
CC[C@H](C)[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSCCCC(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)OC)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N)C(C)(C)C)CC(=O)N)CCC(=O)N C175925
c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O C175930
c1ccc(cc1)COC(=O)NCCCC[C@@H](C(=O)O)N(CC(=O)O)CC(=O)O C175935
CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)O C175940
c1ccc(cc1)COC(=O)Nc2ccn(c(=O)n2)[C@H]3C([C@H]([C@H](O3)CO)O)(F)F C177800
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c(nnn4)c5ccccc5c6ccc(cc6)C(=O)O C177810
c1ccc(cc1)[P+](CCCCC(=O)O)(c2ccccc2)c3ccccc3.[Br-] C177815
c1cc(c(cc1S(=O)(=O)N)C(=O)O)Cl C177825
C[C@]12CCC(=O)C=C1CC([C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C(=O)O C177830
C[N+](C)(CCOC(c1ccc(cc1)Cl)c2ccccn2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O C175945
COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4n3CC(COc5cccc6c5c7ccccc7[nH]6)O)O C175950
CC(C)C[C@H](CC(=O)N)CC(=O)O C175955
CCOC(=O)n1ccn(c1=S)C C175960
C(CC(=O)O)[C@@H](C(=O)O)NC(=O)N C175965
C[N+](C)(C)CCOC(=O)N.[Cl-] C175970
CCOC(=O)C(C)(Cc1ccc(c(c1)O)O)NN C175975
CC(Cc1ccc(c(c1)O)O)(C(=O)OC)NN C175980
C[C@@](Cc1ccc(c(c1)O)O)(C(=O)O)NN C175985
c1ccc(cc1)COC(=O)NCCCC[C@H]2C(=O)OC(=O)N2 C175990
c1ccc(cc1)COC(=O)NCC(=O)O C175995
c1ccc(cc1)COC(=O)NC(Cc2c[nH]c3c2cccc3)C(=O)N C176000
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+] C176080
c1ccc(cc1)COC(=O)N[C@@H](CN)C(=O)O C176175
CN1C(CC2=C/C(=N/NC(=O)N)/C(=O)C=C21)S(=O)(=O)[O-].[Na+] C176190
c1ccc(cc1)COC(=O)N[C@@H]2CC(=O)OC2 C176210
c1ccc(cc1)COC(=O)N[C@@H](CSc2ccccc2)[C@@H](CCl)O C176240
Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc2ccccc2 C176260
c1ccc(cc1)COC(=O)N[C@H](CC(=O)O)C(=O)O C176280
c1ccc(cc1)COC(=O)N[C@@H]2CC(=O)OC2=O C176290
c1ccc(cc1)COC(=O)[C@H](CC(=O)O)NC(=O)OCc2ccccc2 C176300
c1ccc(cc1)COC(=O)[C@H](CCCNC(=N)NP(=O)(OCc2ccc(cc2)[N+](=O)[O-])OCc3ccc(cc3)[N+](=O)[O-])NC(=O)OCc4ccccc4 C176360
CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)OCc3ccccc3 C176440
c1ccc(cc1)COC(=O)N2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O C176455
c1ccc(cc1)COC(=O)NC2[C@H]([C@@H](C(O[C@H]2O)CO)O)O C176500
c1ccc(cc1)COC(=O)N[C@@H](CCC(=O)O)C(=O)O C176510
c1ccc(cc1)COC(=O)[C@H](CCC(=O)O)NC(=O)OCc2ccccc2 C176515
c1ccc(cc1)COC(=O)NC2[C@H]([C@@H](C(O[C@H]2O)CO)O)O C176520
c1ccc(cc1)COC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)N.Cl C176525
c1ccc(cc1)COC(=O)N[C@@H](CSc2ccccc2)C(=O)O C176530
c1ccc(cc1)COC(=O)N[C@H]2COC2=O C176540
CC(C)[C@@H](C(=O)OCC(CO)OCn1cnc2c1nc([nH]c2=O)N)NC(=O)OCc3ccccc3 C176570
CCOC(=O)c1cccn1[C@H](C)c2ccccc2 C176585
CC1(Cc2cccc(c2O1)OC(=O)NC)C C176590
[2H]C([2H])([2H])NC(=O)Oc1cccc2c1OC(C2)(C)C C176592
c1ccc2c(c1)c3cccnc3[nH]2 C176600
c1ccc2c(c1)c3ccc[15n]c3[15nH]2 C176602
c1ccc2c(c1)c3ccc[n+](c3[nH]2)[O-] C176605
c1ccc2c(c1)c3ccc[15n+](c3[15nH]2)[O-] C176607
COC(=O)[C@@H]1[C@H]2CC[C@H](N2)CC1c3ccc(cc3)I C176610
[2H]C([2H])([2H])OC(=O)NN C176617
COC(=O)CCc1cc2c(s1)NC(=O)CN=C2c3ccccc3Cl C176620
CC(C)(CC(=O)O)C(=O)OC C176625
C1COC[C@H]1OC(=O)ON2C(=O)CCC2=O C176630
[2H]C1(C[C@@H](C(O1)([2H])[2H])OC(=O)ON2C(=O)CCC2=O)[2H] C176632
C=CS(=O)(=O)CCOC(=O)ON1C(=O)CCC1=O C176635
CC(OC(=O)Oc1ccccc1)Cl C176640
CCOC(=O)N=C=S C176650
C[C@@H]1C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O[C@@H](C[C@H]2[C@@H](O2)/C=C/C1=O)C)OC(=O)C)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O C176680
C[n+]1ccn(c1)C(=O)n2cc[n+](c2)C.C(F)(F)(F)S(=O)(=O)[O-] C177000
c1cn(cn1)C(=O)n2ccnc2 C177005
c1cn(cn1)[13C](=O)n2ccnc2 C177007
C(CS(=O)(=O)[O-])SC(=O)SCCS(=O)(=O)[O-].[Na+].[Na+] C177010
[2H]C([2H])(C([2H])([2H])S(=O)(=O)[O-])SC(=O)SC([2H])([2H])C([2H])([2H])S(=O)(=O)[O-].[Na+].[Na+] C177012
C(C1[C@H](C2[C@H]([C@H](O1)O)OC(=O)O2)O)O C177220
CC(=O)OC[C@@H]1[C@H]([C@H]2[C@@H]([C@H](O1)OC(=O)C)OC(=O)O2)OC(=O)C C177250
C1CC(C1)(C(=O)[O-])C(=O)[O-].N.N.[Pt+2] C177500
[2H]C1(CC(C1(C(=O)[O-])C(=O)[O-])([2H])[2H])[2H].N.N.[Pt+2] C177502
CCOP(=S)(OCC)SCSc1ccc(cc1)Cl C177525
CCOP(=S)(OCC)SCS(=O)c1ccc(cc1)Cl C177535
CCOP(=S)(OCC)SCS(=O)(=O)c1ccc(cc1)Cl C177540
CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)O)O)O C177580
Cc1cc(=O)[nH]c2c1ccc(c2)N C177650
Cc1cc(=O)[nH]c2c1ccc(c2)NC(=O)CCl C177655
Cc1cc(=O)[nH]c2c1ccc(c2)NC(=O)CCSS(=O)(=O)C C177660
Cc1cc(=O)[nH]c2c1ccc(c2)NC(=O)CSS(=O)(=O)C C177663
Cc1cc(=O)[nH]c2c1ccc(c2)N3C(=O)C=CC3=O C177665
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SN(C)C(=O)Oc1cccc2c1OC(C2)(C)C C177712
c1nc2c(n1[C@@H]3C[C@@H](C=C3)CO)[nH]c(nc2=O)N C177740
[2H]C([2H])([C@H]1C[C@H](C=C1)n2[13cH]nc3c2[nH]c(nc3=O)N)O C177742
c1nc2c(n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)O)[nH]c(nc2=O)N C177745
[2H]C([2H])([C@H]1C[C@H](C=C1)n2[13cH]nc3c2[nH]c(nc3=O)N)OP(=O)(O)O C177747
c1ccc(cc1)COC(=O)N[C@H](CCC(=O)O)C(=O)N C177750
CCN(CC)CC.c1nc2c(n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[nH]c(nc2=O)N C177755
[2H]C([2H])([C@H]1C[C@H](C=C1)n2[13cH]nc3c2[nH]c(nc3=O)N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.CCN(CC)CC C177757
CS(=O)(=O)SCCNC(=O)c1ccc2cc3ccccc3cc2c1 C177760
CS(=O)(=O)SCCNC(=O)c1c2ccccc2cc3c1cccc3 C177765
[2H]C([2H])(C([2H])([2H])SS(=O)(=O)C)NC(=O)c1c2ccccc2cc3c1cccc3 C177767
c1nc2c(n1[C@@H]3C[C@@H](C=C3)COP(=O)(O)OP(=O)(O)O)[nH]c(nc2=O)N C177770
CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCNC(=O)c3ccccc3C(=O)O C177785
*C([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)N(C)C(=O)OCc4ccccc4)O)NC(=O)OCc5ccccc5)NC(=O)OCc6ccccc6)NC(=O)OCc7ccccc7)N* C177790
c1cc(cc(c1)C(=O)NO)/C=C/C(=O)NO C177840
C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)O C177860
C[C@H]1C(C(=NC1[C@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@H]2C[C@H](NC2)C(=O)Nc3cccc(c3)C(=O)O C177870
C(CCCCCNC(=O)/C=C\C(=O)O)CCCCC(=O)O C177880
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)C(=O)O C177887
CC(=O)Oc1cc2c(cc1Cl)C3(c4cc(ccc4C(=O)O3)C(=O)ON5C(=O)CCC5=O)c6cc(c(cc6O2)OC(=O)C)Cl C177890
CCOC(=O)n1cc(c2c1ccc(c2)OC)CCNC(=O)C C179800
C1[C@@H]([C@@H](N1)C(=O)O)CC(=O)O C179850
COc1c(c(cc2c1oc(=O)cc2)CC(=O)O)O C179950
C(CCNCC(=O)O)C[C@@H](C(=O)O)N C180075
[2H]C([2H])(C[C@@H](C(=O)O)N)C([2H])([2H])CNCC(=O)O C180077
CS(=O)(=O)SCC(=O)O C180500
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCC/C(=N\OCC(=O)O)/c4ccc(cc4)F C181000
C(CCCCO)CCCC(=O)O C181080
C1[C@H]([C@H]([C@@H]([C@H](N1CCCCCC(=O)O)CO)O)O)O C181150
C1[C@H]([C@H]([C@@H](C(N1CCCCCC(=O)O)CO)O)O)O C181200
C1C([C@H]([C@H](C(N1CCCCCC(=O)O)CO)O)O)O C181205
CN(CCCCCC(=O)O)c1cccc(c1)O C181210
CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)[O-])CCCCCC(=O)O.[K+] C181215
c1ccc(c(c1)C(=O)O)NCC(=O)[O-].[K+] C181220
c1ccc(cc1)CC[C@H](C(=O)O)N[C@@H](CCCCN)C(=O)O C181225
c1ccc(cc1)n2cc(ccc2=O)C(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C181230
Cn1cnc2c1c(=O)n(c(=O)n2C)CCCC(=O)O C181235
[2H]C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C([2H])([2H])[2H])CCCC(=O)O C181237
CS(=O)(=O)SCCCC(=O)O C181240
CC1(C([N+](=C(N1O)c2ccc(cc2)C(=O)[O-])[O-])(C)C)C.[K+] C181250
C(COP(=O)(N)N(CCCl)CCCl)C(=O)O C181350
CCC(C)(C)C(=O)O[C@H]1CC(=CC2=CC[C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C(=O)O C181352
c1ccc(cc1)COC(=O)CCOP(=O)(N)N(CCCl)CCCl C181355
CC(=O)O.CC(=O)Oc1cc2c(cc1Cl)C3(c4ccccc4C(=O)O3)c5cc(c(cc5O2)OC(=O)C)Cl C177895
CN(C)c1ccc(c(c1)O)C(=O)c2ccc(cc2C(=O)O)[N+](=O)[O-] C177900
CN(C)c1ccc(c(c1)O)C(=O)c2cc(ccc2C(=O)O)[N+](=O)[O-] C177905
CC(=O)Oc1cc2c(cc1Cl)C3(c4ccccc4C(=O)O3)c5cc(c(cc5O2)OC(=O)C)Cl.CC(=O)ON1C(=O)CCC1=O C177910
Cc1c(cccc1C(=O)O)Cc2c[nH]cn2 C177915
Cc1c(cccc1C(=O)O)Cc2c[15nH][13cH][15n]2 C177917
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@@H]1C(=O)O)C)O)F)C C177925
CC(C)NCCC(c1ccccc1)c2cc(ccc2O)C(=O)OC C177935
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)C(=O)OC C177937
c1[nH]c2c(c(=O)n1)ncn2CCC(=O)O C177940
CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)O C177950
CCOc1cc(ccc1C(=O)O)CC(=O)O C177960
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)O)n(n1)C C177990
c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2ccc(c(c2)C(=O)O)Oc3ccc(cc3)C(=O)NCCC(=O)O C178010
c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2cc(ccc2/N=N/c3ccc(c(c3)C(=O)O)O)C(=O)NCCC(=O)O C178015
c1cc(ccc1C(=O)NCCC(=O)O)/N=N/c2cc(c(c(c2)/N=N/c3ccc(cc3)C(=O)NCCC(=O)O)O)C(=O)O C178020
C[C@@H](C(=O)O)N[C@@H](CCc1ccccc1)C(=O)OC C178030
C[C@@H](C(=O)OCc1ccccc1)N[C@@H](CCc2ccccc2)C(=O)OC.C(=C\C(=O)O)\C(=O)O C178035
C[N+](C)(C)CCOC(=O)CCBr.[Cl-] C178040
C(CSC[C@@H](C(=O)O)N)C(=O)O C178055
CC(C(=O)O)NCCCC[C@@H](C(=O)O)N C178070
[2H]C([2H])(C[C@@H](C(=O)O)N)C([2H])([2H])CNC(C)C(=O)O C178072
CS(=O)(=O)SCCC(=O)O C178100
C[N+](C)(C)CCOC(=O)CCSS(=O)(=O)C.[Cl-] C178130
COC(=O)CCSC(c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)O C178175
c1ccc(cc1)[P+](CCC(=O)O)(c2ccccc2)c3ccccc3.[Cl-] C178210
CC(=O)O.c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O C178315
c1cc2c(cc1C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O C178320
c1cc2c(cc1C(=O)O)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O C178325
CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)C(=O)ON6C(=O)CCC6=O)OC(=O)C C178330
CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OC(=O)C.CC(=O)ON1C(=O)CCC1=O C178335
CC(C)C(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OC(=O)C(C)C.CC(=O)O C178340
CC(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5ccc(cc5C(=O)O4)C(=O)O)OC(=O)C C178345
c1cc2c(cc1C(=O)ON3C(=O)CCC3=O)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O C178350
c1cc2c(cc1C(=O)ON3C(=O)CCC3=O)C4(c5ccc(cc5Oc6c4ccc(c6)O)O)OC2=O C178355
CC(C)NC(C)C.CC(C)(C)C(=O)Oc1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)C(=O)O)OC(=O)C(C)(C)C C178360
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)OC=O)C)O)F)C C178430
c1cc(ccc1C(=O)O)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 C178440
[2H]C1(C2CCCC2C(N1NC(=O)NS(=O)(=O)c3ccc(cc3)C(=O)O)([2H])[2H])[2H] C178442
CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)C(=O)O)C C178445
[2H]C(C(C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)C(=O)O)C)([2H])[2H])([2H])[2H] C178447
CC(C)(C)OC(=O)C(CC(C(=O)O)N)C(=O)OC(C)(C)C C178450
CCOC(=O)C(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N C178455
C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] C178460
CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)O)CO)C C178480
c1cc(c(cc1/C=C/c2cc(ccc2O)O)C(=O)O)O C178500
C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C C178525
[2H]C1(C[C@H]2[C@H]3[C@H](CC[C@@]2([C@H]1[C@H](C)C([2H])([2H])CCC(C)C(=O)O)C)[C@]4(CC[C@@H](CC4=CC3=O)O)C)[2H] C178527
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)O)CCC5=CC(=O)C=C[C@@]53C)F)O C178550
[2H]C1(C[C@H]2[C@@H]3CC[C@H]4CC(=C(C[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)C(=O)OC)O)[2H] C178572
c1ccc(cc1)C2CC(=O)Oc3c2cc(cc3)C(=O)O C178590
Cc1c(cccc1Nc2ccccc2C(=O)O)C(=O)O C178645
Cc1c(cccc1Nc2ccccc2C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)C(=O)O C178650
c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(=O)O C178700
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(CC(C(=O)C4)C(=O)OC)C C178715
CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ncc(s3)C(=O)O C178725
C(C(=O)O)ON C178730
[2H]C([2H])(C(=O)O)ON C178732
c1cc(c(nc1)NCC(=O)O)C(=O)O C178735
CCOC(=O)CNc1c(cccn1)C(=O)OCC C178738
C[n+]1c2ccccc2c(c3c1cccc3)C(=O)O.[Cl-] C178740
CC(c1cccc(c1)C(=O)O)C(=O)O C178745
[2H]C([2H])([2H])C(c1cccc(c1)C(=O)O)C(=O)O C178747
CC(C)C(=O)/C(=C\c1ccc(cc1)F)/C(=O)OC C178750
C([C@@H](C(=O)O)N)SCC(=O)O C178760
C([C@@H]([13C](=O)O)N)S[13CH2][13C](=O)O C178762
c1ccc(cc1)[P+](CCCCCC(=O)O)(c2ccccc2)c3ccccc3.[Br-] C178900
COc1cccc(c1Nc2ccccc2C(=O)O)C(=O)O C178960
c1ccc(cc1)n2cc(ccc2=O)C(=O)O C179020
c1cc(=O)n(cc1C(=O)O)[14c]2[14cH][14cH][14cH][14cH][14cH]2 C179021
[2H]c1c(c(c(c(c1[2H])[2H])n2cc(ccc2=O)C(=O)O)[2H])[2H] C179022
c1ccc(cc1)n2cc(ccc2=O)C(=O)[O-].[Na+] C179023
C[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)Nc4cccc(c4)C(=O)O)C(=O)O)C)C(=O)O C179030
c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)CC(=O)O C179040
CN1CCN(C(C1)c2ccccc2)c3c(cccn3)C(=O)O C179055
CC1(C=C(C(N1O)(C)C)C(=O)O)C C179075
CCOC(=O)n1cc(c2c1cc(c(c2)OC)OC(=O)C)CCNC(=O)C C179780
CCOC(=O)n1cc(c2c1cc(c(c2)OC)O)CCNC(=O)C C179790
[2H]C([2H])(CN(CC([2H])([2H])Cl)P(=O)(N)OCCC(=O)OCc1ccccc1)Cl C181357
CCNc1cc2c(cc1C)c(c3cc(c(cc3[o+]2)NCC)C)c4ccc(cc4C(=O)O)C(=O)O.[Cl-] C181700
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C(=O)O C182400
[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C(=O)O)C([2H])([2H])[2H] C182402
CCC(C)(C)C(=O)O[C@H]1CC(=CC2=CC[C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C(=O)O C182405
[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1CC(=CC2=CC[C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)C(=O)O)C([2H])([2H])[2H] C182407
c1ccc(cc1)COC(=O)N[C@@H](CO)C(=O)O C182415
Cc1c(c([nH]c1C(=O)O)/C=C\2/c3ccccc3NC2=O)CCC(=O)O C182460
CC1=[N+](c2ccc(cc2C1(C)C)C(=O)O)CCCCS(=O)(=O)[O-] C182490
CC(C)(C#C/C=C/CN(C)Cc1cccc2c1cccc2)C(=O)O C182600
[2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CN(C)C/C=C/C#CC(C)(C)C(=O)O)[2H])[2H] C182602
CC(C)(C#C/C=C/CN(C)Cc1cccc2c1cccc2)C(=O)OC C182610
CC1(C[C@@H](C(N1O)(C)C)C(=O)O)C C182750
CC1(C[C@@H](C(N1O)(C)C)C(=O)O)C C182760
CC1(CC(C(N1[O-])(C)C)C(=O)O)C C182770
CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4ccc(cc4C(=O)[O-])C(=O)O)N(C)C C183150
CN(C)c1ccc2c(c1)[o+]c3cc(ccc3c2c4cc(ccc4C(=O)[O-])C(=O)O)N(C)C C183170
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)OC C183192
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)O C183200
[2H]C([2H])(C)C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)O C183202
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)C(=O)OC C183207
CC(C)N(CCC(c1ccccc1)c2cc(ccc2O)C(=O)O)C(C)C C183210
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2O)C(=O)O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] C183212
CS(=O)(=O)SCCCCCCCCCCCC(=O)O C183215
c1c(c(=O)[nH]c(=O)[nH]1)/C=C/C(=O)O C183225
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)N C183300
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)N C183302
CC(C)(C)NCC(c1ccc(c(c1)NC(=O)N)O)O.Cl C183350
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)NC(=O)N)O)O.Cl C183352
COc1ccc(cc1)Nc2nccc(n2)NCCO.Cl C183400
CC(C)(c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4)C(=O)O C183440
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)C(=O)O)[2H])[2H] C183442
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)C(=O)OC)[2H])[2H] C183447
CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3ccccc3)C(=O)OC C183480
[2H]c1c(c(c(c(c1[2H])[2H])CCN2CCC(CC2)(C(=O)OC)N(c3ccccc3)C(=O)CC)[2H])[2H] C183482
CN(C(=O)N[C@H]1CC[C@@H](CC1)CCN2CCN(CC2)c3c(c(ccc3)Cl)Cl)C C183490
[2H]C([2H])([C@H](c1ccccc1Cl)O)O[13C](=O)[15NH2] C183512
[2H]c1c(c(c(c(c1[2H])[C@@H](COC(=O)N)O)Cl)[2H])[2H] C183513
c1ccc(c(c1)[C@H](COC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl C183515
c1ccc(c(c1)[C@@H](COC(=O)N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)Cl C183520
CCCC(C)(COC(=O)N)COC(=O)NC(C)C C183580
[2H]C([2H])([2H])C(CCC)(COC(=O)N)COC(=O)NC(C)C C183582
Cc1c2c(cc(c1C(=O)O)O)C(=O)c3c(c(c(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)C2=O C183620
CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)O)O)(C(=O)C)O)N)O C183650
C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c3c2ccc(=O)[nH]3)O)O.Cl C183750
[2H]C([2H])([2H])Oc1ccc(cc1)C[C@@H](C)NC[C@@H](c2ccc(c3c2ccc(=O)[nH]3)O)O.Cl C183752
C(CCl)NC(=O)N(CCCl)N=O C183875
[2H]C([2H])([2H])[N+](CC(CC(=O)O)O)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-] C184102
C[N+](C)(C)C[C@H](CC(=O)[O-])O C184105
C[N+](C)(C)C[C@@H](C[13C](=O)[O-])O C184112
CC(C)COC(=O)C[C@@H](C[N+](C)(C)C)O.[Cl-] C184115
CC(C)COC(=O)C[C@@H](C[N+](C)(C)C)OS(=O)(=O)C.CS(=O)(=O)[O-] C184125
C[N+](C)([CH2])C[C@H](CC(=O)O)OS(=O)(=O)C.CS(=O)(=O)[O-] C184150
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C2=C(CCCC2(C)C)C)/C)/C C184230
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C C184250
[2H]C1(C(=C(C(CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(CCC2(C)C)([2H])[2H])C([2H])([2H])[2H])\C)\C)/C)/C)C([2H])([2H])[2H])[2H] C184252
CCC(=O)c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCN(CC4)CCO.C(=C\C(=O)O)\C(=O)O C184300
[2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(=O)CC.C(=C\C(=O)O)\C(=O)O C184302
C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184340
C[C@@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184345
CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184350
[2H]C([2H])([2H])C(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(=O)O C184352
CCOC(=O)C(C)c1ccc2c3cc(ccc3[nH]c2c1)Cl C184360
CC(C)(C)NCC(COc1cccc2c1CCC(=O)N2)O.Cl C184450
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1cccc2c1CCC(=O)N2)O.Cl C184452
COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O C184625
[2H]C([2H])([2H])Oc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O C184627
COc1ccccc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O C184630
COc1ccccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O C184635
COc1ccccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O C184640
COc1ccccc1OCCN(CC(COc2cccc3c2c4ccccc4[nH]3)O)CC(COc5cccc6c5c7ccccc7[nH]6)O C184645
COc1ccccc1OCCNCC(CN(CCOc2ccccc2OC)CC(COc3cccc4c3c5ccccc5[nH]4)O)O C184650
c1ccc2c(c1)c3c([nH]2)cccc3OCC(CNCCOc4ccccc4OCCNCC(COc5cccc6c5c7ccccc7[nH]6)O)O C184655
c1ccc(cc1)CN(CCOc2ccccc2OCCN(Cc3ccccc3)CC(COc4cccc5c4c6ccccc6[nH]5)O)CC(COc7cccc8c7c9ccccc9[nH]8)O C184665
c1ccc2c(c1)c3c([nH]2)cccc3OCC(CNCCOc4ccccc4OCCN)O C184670
c1ccc2c(c1)c3c([nH]2)cccc3OCC(CN(CCOc4ccccc4OCCN(CC(COc5cccc6c5c7ccccc7[nH]6)O)CC(COc8cccc9c8c1ccccc1[nH]9)O)CC(COc1cccc2c1c1ccccc1[nH]2)O)O C184675
CC(=C)[C@@H]1C[C@@H]2[C@@](O2)(C(=O)C1)C C184700
CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C C184750
Cc1cc(ccc1[C@H]2C[C@H](CCN2C(=O)N(C)[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C(=O)C)F.CS(=O)(=O)O C184800
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](CCN)O)O)NCCN)O C184900
C1CN2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)O C185000
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSc3ccccc3)NC(=O)OCc4ccccc4)O C210000
c1ccc(cc1)COC(=O)CNC(=O)[C@H](CSCc2ccccc2)NC(=O)CC[C@@H](C(=O)OCc3ccccc3)NC(=O)OCc4ccccc4 C215100
c1ccc(cc1)COC(=O)[C@H](CCC(=O)N[C@@H](CSCc2ccccc2)C(=O)[15NH][13CH2][13C](=O)OCc3ccccc3)NC(=O)OCc4ccccc4 C215102
c1ccc(c(c1)O)O C215175
[2H]c1c(c(c(c(c1[2H])O)O)[2H])[2H] C215176
[13cH]1[13cH][13cH][13c]([13c]([13cH]1)O)O C215177
[2H]C([2H])([2H])Oc1ccccc1OC([2H])([2H])[2H] C215202
CC(C)(C)NCC(c1ccc(c(c1)O)O)O.Cl C215850
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)O)O)O C215852
c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O C217500
[2H]c1c(cc2c(c1O)C([C@@H]([C@H](O2)c3ccc(c(c3)O)O)O)([2H])[2H])O C217502
c1cc(c(cc1[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O C217505
CCC1=CC2C[C@]3([C@@H]1N(C2)CCc4c3[nH]c5c4cccc5)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O C225400
[2H]C([2H])([2H])OC(=O)[C@]12CC3CN([C@@H]1C(=C3)CC)CCc4c2[nH]c5c4cccc5 C225402
CCC1=CC2C[C@]3(C1N(C2)CCc4c3[nH]c5c4cccc5)C(=O)O C225450
C[C@@H](C(=O)c1ccccc1)N.Cl C225700
[2H]C([2H])([2H])[C@@H](C(=O)c1ccccc1)N.Cl C225702
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O C226490
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O C226500
c1ccc(cc1)COC(=O)N[C@@H](C2CCCCC2)C(=O)O C227500
CC(C)(C)[C@@H](C(=O)O)NC(=O)OCc1ccccc1 C227750
Cc1c(c2ccccc2[nH]1)C(c3ccc(cc3)Cl)Nc4ccccn4 C227900
C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)n6ccnc6 C228090
C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC C228100
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC#N)SC1)C(=O)O C231500
c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N.O C235250
[2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N)[2H])[2H] C235252
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O.O C235750
[2H]c1c(c(c(c(c1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C)C(=O)O)N)[2H])[2H])O)[2H].O C235752
Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccccc4)O)SC2)C(=O)[O-].[Na+] C237500
Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccccc4)OC=O)SC2)C(=O)[O-].[Na+] C237505
Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cc(c(=O)c(c4)Cl)Cl)SC2)C(=O)O C241500
c1c(sc(n1)N)/C(=C\CC(=O)O)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O C244490
c1c(sc(n1)N)/C(=C/CC(=O)O)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O C244500
c1c(sc(n1)N)/C(=[13CH]/[13CH2][13C](=O)O)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)O C244507
c1cc(ccc1CCC(=O)O)OC(=O)C2CCC(CC2)CN.Cl C281400
CC1SC[C@]2(O1)[C@H]3CC[N@@](C2)CC3.Cl C283500
[2H]C1(SC[C@]2(O1)[C@H]3CC[N@@](C2)CC3)C([2H])([2H])[2H].Cl C283502
CC1OC2(C[N+]3(CCC2CC3)[C@H]4C([C@H]([C@@H](C(O4)C(=O)[O-])O)O)O)CS1 C283505
CC1SC[C@]2(O1)[C@H]3CC[N@@+](C2)(CC3)[O-] C283510
CC1S(=O)C[C@]2(O1)[C@H]3CC[N@@](C2)CC3 C283515
CC1S(=O)C[C@]2(O1)[C@H]3CC[N@@+](C2)(CC3)[O-] C283520
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)N C291080
COC(=O)COCCN1CCN(CC1)C(c2ccccc2)c3ccc(cc3)Cl C291150
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)O)O)O.Cl C291790
CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)NCCc4ccc(cc4)CCC(=O)[O-])O)O.[Na+] C291800
CCCCCCCCCCCCCC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291815
[2H]C([2H])([2H])/C(=C(\CCCCCCCCCCCCCC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291817
CCCCCCCCCCCCCCC1=C(C(=O)OC1=O)C C291820
Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)[O-].[Na+] C242500
Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)N[13C](=O)[13CH2][15n]4cnnn4)SC2)C(=O)[O-].[Na+] C242502
Cc1nnc(s1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cn4cnnn4)SC2)C(=O)N C242515
Cc1nnc(s1)SCC2=C(N[C@H](SC2)[C@@H](C(=O)O)NC(=O)Cn3cnnn3)C(=O)O C242520
CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O C242545
[2H]C([2H])([2H])C([2H])([2H])/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O C242547
CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C C242550
[2H]C([2H])([2H])C(C(=O)OCOC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=C\CC)/c3csc(n3)N)COC(=O)N)(C([2H])([2H])[2H])C([2H])([2H])[2H] C242552
CC/C=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C.Cl C242555
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Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC2)C(=O)[O-].[Na+] C243100
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[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC)C(=O)O C243852
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[2H]c1c(c(c(c(c1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/C)C(=O)O)N)[2H])[2H])O)[2H] C243912
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4cccc5c4CCCC5)C(=O)[O-].OS(=O)(=O)O C244000
[2H]C1(CCc2c(ccc[n+]2CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/c5csc(n5)N)SC3)C(=O)[O-])C1([2H])[2H])[2H].OS(=O)(=O)O C244002
CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-] C244100
[2H]c1c(c([n+](c(c1[2H])[2H])CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c4csc(n4)N)SC2)C(=O)[O-])[2H])[2H] C244102
CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)C[n+]4ccccc4)C(=O)[O-] C244110
CC(C)(C)OC(=O)C(C)(C)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-] C244115
CC(C)(C(=O)OC)O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[n+]4ccccc4)C(=O)[O-] C244120
Cc1nnn(n1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)O C244275
Cc1nnn(n1)CC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)O)NC(=O)/C(=N\OC)/c4csc(n4)N C244280
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Cc1nnn(n1)CC2=CS[C@@H]3[C@@H](C(=O)N3C2C(=O)OCOC(=O)C(C)(C)C)NC(=O)/C(=N\OC)/c4csc(n4)N C244310
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)c4ccco4)C(=O)O C244695
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)c4ccco4)C(=O)O.Cl C244700
[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSC(=O)c4ccco4)C(=O)O.Cl C244702
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/Sc4n[nH]c(=O)c(=O)n4CC=O)C(=O)O C244750
[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/Sc4n[nH]c(=O)c(=O)n4CC=O)C(=O)O C244752
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[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4nc(=O)c(=O)[nH]n4C)C(=O)O C245002
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CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)[O-].[Na+] C248050
[2H]C([2H])([2H])O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O C248052
CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)COC(=O)N)C(=O)O C248060
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[2H]C([2H])([2H])O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OC(C)OC(=O)C C248067
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CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@@H](CNC(C)(C)C)O.Cl C254490
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CCN(CC)C(=O)Nc1ccc(c(c1)C(=O)C)OC[C@H](CNC(C)(C)C)O.Cl C254495
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC[C@@H](COc1ccc(cc1C(=O)C)NC(=O)N(CC)CC)O.Cl C254497
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CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C C255950
CC1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCCN4CCCC4)c5ccccc5)C C256500
[2H]C([2H])([2H])C1([C@@H]([C@H](c2ccc(cc2O1)OC)c3ccc(cc3)OCCN4CCCC4)c5ccccc5)C([2H])([2H])[2H] C256602
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)O)OC)OC)OC C256700
CC1=C(NC(SC1)C2C(=O)NC(C(=O)N2)c3ccccc3)C(=O)O C256760
CC1=C(NC(SC1)C(C(=O)NC(c2ccccc2)C(=O)O)N)C(=O)O C256765
CC1=C(N2C([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)O C256800
[2H]c1c(c(c(c(c1[2H])[2H])[C@H](C(=O)N[C@H]2C3N(C2=O)C(=C(CS3)C)C(=O)O)N)[2H])[2H].O C256802
CC1=C(N2C([C@@H](C2=O)NC(=O)[C@H](c3ccccc3)N)SC1)C(=O)O C256805
CC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)[C@@H](c3ccccc3)N C256810
CC1=C(N2C([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)S(=O)C1)C(=O)O C256820
C/C=C(\C)/C(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)c6ccccc6)O)O C258500
C/C=C(\C)/C(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)c6ccccc6)O)O C258515
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])N)SC1)C(=O)[O-].[Zn+2] C258750
COC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1O)OCO5 C261050
[2H][13C]([2H])([2H])OC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1O)OCO5 C261052
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)[O-].[Na+] C261150
CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CSc3ccncc3)SC1)C(=O)O C261500
[2H]c1c(nc(c(c1SCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)[2H])[2H])[2H] C261502
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)C)O C262500
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)C)O C262530
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCC)O C262550
CCCCCCCCCCCCC/C=C/[C@H](C(COP(=O)(O)O)NC(=O)CCC)O C262555
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCC)O C262560
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCC)O C262600
[2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCC)O C262602
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCC)O C262630
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCC)O C262700
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)NC(=O)C)O C262710
CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)O)NC(=O)CCCCCCC)O C262720
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCC)O C262730
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O C262770
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O C262800
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC)O C262830
[2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)O C262902
CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCCCC)O C262910
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263050
[2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)O C263052
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O C263060
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263120
CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O C263130
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263140
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O C263145
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263450
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O C263455
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)O C263460
CNc1nc-2ccn(c(=O)c(c2n1)Cc3cc(c(c(c3)Br)OC)Br)C C265500
CNc1nc-2cc[nH]c(=O)c(c2n1)Cc3cc(c(c(c3)Br)OC)Br C265510
CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)COC.[Na+] C277000
CC1(c2cc[nH]c(=O)c2C(=O)O1)C C278500
[Cl-].[Cs+] C280000
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-] C280500
[2H]c1c(c(c(c(c1[2H])[2H])C([2H])([2H])[N+](C)(C)CCCCCCCCCCCCCCCC)[2H])[2H].[Cl-] C280502
CCCCCCCCCCCCCCCCOc1nc2ccc(cc2c(=O)o1)C C280800
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O C281100
[2H]C1(C(N(C(C(N1CCOCC(=O)O)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H].C C281102
c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O C281105
c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O C281106
[2H]C([2H])(C([2H])([2H])OCC(=O)O)N1CCN(CC1)[C@H](c2ccccc2)c3ccc(cc3)Cl C281108
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CC[N+](CC3)(CCOCC(=O)O)[O-] C281110
[2H]C1(C([N+](C(C(N1C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])(CCOCC(=O)O)[O-])([2H])[2H])[2H] C281112
c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CC[N+](CC3)(CCOCC(=O)O)[O-] C281115
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CC[N+](CC3)(CCOCC(=O)O)CCOCC(=O)[O-] C281120
[2H]C1(C([N+](C(C(N1C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])(CCOCC(=O)O)CCOCC(=O)[O-])([2H])[2H])[2H] C281122
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCC(=O)O[C@H]4C([C@H]([C@@H](C(O4)CO)O[C@H]5C([C@H]([C@H](C(O5)CO)O)O)O)O)O C281125
[2H]C([2H])([2H])C1=C(C(=O)OC1=O)CCCCCCCCCCCCCC C291822
CCCCCCCC/C=C\CCCCCC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291830
[2H]C([2H])([2H])/C(=C(\CCCCCC/C=C\CCCCCCCC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] C291832
CCCCCCCC/C=C\CCCCCCC1=C(C(=O)OC1=O)C C291835
[2H]C([2H])([2H])C1=C(C(=O)OC1=O)CCCCCC/C=C\CCCCCCCC C291837
C[n+]1cc2c(c3c1c4cc5c(cc4cc3)OCO5)c(cc6c2OCO6)OC.[Cl-] C291850
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C C291900
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H] C291902
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O C291903
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C C291905
C(C(C(=O)O)N)Cl.Cl C364190
[2H]C([2H])(C([2H])(C(=O)O)N)Cl C364192
C([C@H](C(=O)O)N)Cl.Cl C364200
COC(=O)C(CCl)N.Cl C364210
COC(=O)[C@H](CCl)N.Cl C364215
C(CNCCNCCCl)COP(=O)(O)O C364250
CC(c1ccccc1)(c2cc(ccc2N)Cl)O C364280
c1cc2cc(cc(c2nc1)N)Cl C364300
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)Cl)OC(=O)C)OC(=O)C C364375
c1cc(c(cc1Cl)C(=O)O)N C364400
c1c2c(c(c(c1Cl)Cl)Cl)CN3CC(=O)NC3=N2 C364425
c1cc(ccc1[NH2+])Cl.[Cl-] C364450
c1c[nH]c2c1c(ccn2)Cl C364500
c1ccc(c(c1)C=O)Cl C364505
c1ccc2c(c1)/C(=C/c3ccc(cc3)Cl)/OC2=O C364515
[2H]c1c(c(c(c(c1S(=O)(=O)O)[2H])[2H])Cl)[2H] C364522
c1cc(ccc1C(F)(F)F)Cl C364525
c1ccc(cc1)Cl C364530
[13cH]1[13cH][13cH][13c]([13cH][13cH]1)Cl C364532
c1ccc2c(c1)nnn2Cl C364535
C[C@H](CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C C291910
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)([2H])[2H])O C291912
c1cc(c(cc1Cl)Cl)c2c(cnc(n2)NCCNc3ccc(c(n3)N)[N+](=O)[O-])c4[nH]ccn4 C292100
C[C@H](CCC(=O)NCCCN(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C292425
C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C292500
CC(=O)NC1[C@@H]([C@H](C(O[C@H]1O)CO)O[C@H]2C([C@@H]([C@H](C(O2)CO)O[C@H]3C([C@@H]([C@@H](C(O3)CO)O)O)NC(=O)C)O)NC(=O)C)O C300800
C[13C](=O)NC1[C@@H]([C@H](C(O[C@H]1O)CO)O[C@H]2C([C@@H]([C@H](C(O2)CO)O[C@H]3C([C@@H]([C@@H](C(O3)CO)O)O)N[13C](=O)C)O)N[13C](=O)C)O C300802
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C C315000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C C315005
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C C315010
CC(C)/N=c/1\cc-2n(c3ccccc3nc2cc1Nc4ccc(cc4)Cl)c5ccc(cc5)Cl C324300
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])/N=c/1\cc-2n(c3ccccc3nc2cc1Nc4ccc(cc4)Cl)c5ccc(cc5)Cl C324302
CCOP(=O)(OCC)O/C(=C/Cl)/c1ccc(cc1Cl)Cl C324360
[2H]C([2H])([2H])C([2H])([2H])OP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OC([2H])([2H])C([2H])([2H])[2H] C324362
c1cc(cc(c1)[N+](=O)[O-])[C@@H]([C@@H](CO)NC(=O)C(Cl)Cl)O C325010
c1cc(cc(c1)[N+](=O)[O-])[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O C325020
c1cc(ccc1[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325025
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325030
[13cH]1[13cH][13c]([13cH][13cH][13c]1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325032
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[N+](=O)[O-] C325040
c1cc(ccc1[C@H]([C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC(=O)C(Cl)Cl)O)[N+](=O)[O-] C325045
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC[C@H]([C@H](c2ccc(cc2)[N+](=O)[O-])OC(=O)C)NC(=O)C(Cl)Cl)C(=O)OC)OC(=O)C C325055
CC(=O)O[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@@H](CO)NC(=O)C(Cl)Cl C325090
CC(=O)O[C@@H](c1ccc(cc1)[N+](=O)[O-])[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)C(Cl)Cl C325100
CC(C)(C)[Si](C)(C)OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl C325110
c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)[O-].[OH-].[K+].[K+] C325250
C1(=C(C(=O)C(=C(C1=O)Cl)O)Cl)O C325350
CC(C)(C)NCC(COc1cc(ccc1Cl)Cl)O C325352
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(COc1cc(ccc1Cl)Cl)O C326500
[2H]C1(CN(CC(N1C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])C)[2H].Cl C326502
CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c3ccccc3)Cl C327050
[2H]c1c(c(c(c(c1[2H])[2H])C2=[N+](CC(=Nc3c2cc(cc3)Cl)NC)[O-])[2H])[2H] C327052
CC(C)NC(=N)NC(=N)Nc1ccc(cc1)Cl.Cl C329500
[2H]c1c(c(c(c(c1NC(=N)NC(=N)NC(C)C)[2H])[2H])Cl)[2H].Cl C329502
c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC#N)Cl C334995
c1cc(ccc1NC(=O)NC(=N)NCCCCCCNC(=N)NC(=O)Nc2ccc(cc2)Cl)Cl C335000
c1cc(ccc1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(cc2)Cl)Cl C335050
[2H]c1c(c(c(c(c1NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2c(c(c(c(c2[2H])[2H])Cl)[2H])[2H])[2H])[2H])Cl)[2H] C335052
c1ccc(cc1)n2c(=O)c(c(cn2)N)Cl C340000
[2H]c1c(c(c(c(c1[2H])[2H])n2c(=O)c(c(cn2)N)Cl)[2H])[2H] C340002
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)O C343450
[2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC([C@]1([2H])O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])O)Cl C343452
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=C[C@H](CC[C@]34C)O)Cl)C)OC(=O)C C343460
[2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC([C@]1([2H])O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])OC(=O)C)Cl C343462
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)O C343490
[2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC(C1=O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])O)Cl C343492
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C C343500
[2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2(CC(C1=O)([2H])[2H])C)C)(C(=O)C([2H])([2H])[2H])OC(=O)C)Cl C343502
C(C(=O)N)Cl C353500
[2H]C([2H])(C(=O)N([2H])[2H])Cl C353502
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1Cl)COC(=O)C)OC(=O)C)OC(=O)C C363000
CC1(c2cc(ccc2N(C1=C)C)NC(=O)CCl)C C363080
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)NC(=O)CCl)N(C)C C363230
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C C363280
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C C363285
CCOc1ccccc1OC(c2ccccc2)C(CNC(=O)CCl)O C363325
[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC(c2ccccc2)C(CNC(=O)CCl)O C363327
CN(CC(=O)NCCCOCCOCCOCCCNC(=O)CCl)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 C363330
CNCC(=O)NCCCOCCOCCOCCCNC(=O)CCl.C(=O)(C(F)(F)F)O C363335
CC(C)(C)OC(=O)N(C)CC(=O)NCCCOCCOCCOCCCNC(=O)CCl C363340
CC(=O)Nc1ccc(cc1)Cl C363355
CC(=O)N[13c]1[13cH][13cH][13c]([13cH][13cH]1)Cl C363357
C(C(=O)O)Cl C363365
[13CH2]([13C](=O)O)Cl C363367
c1c2c(cc(c1C(=O)CCl)Cl)NC(=O)C2 C363370
C1CC(=O)N(C1=O)OC(=O)CCl C363375
CC(C(=O)OC)NC(=O)CCl C363380
CC(C)(C)NC(=O)CCl C363390
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)C(=O)OCCl)OC C363400
C1CSC(=O)C1NC(=O)CCl C363480
CC[C@H](C)[C@@H](CO)NC(=O)CCl C363580
C1COCCN1C(=O)CCl C363700
c1cc(sc1)C(=O)CCl C363810
CC(=O)c1ccccc1Cl C363815
C(C(=O)NNC(=O)C(F)(F)F)Cl C363820
C=C(C#N)Cl C363830
c1[nH]c2c(n1)c(nc(n2)Cl)N C363835
CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)O)n3cnc4c3nc(nc4N)Cl)C C363900
c1nc2c(nc(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)Cl)N C364000
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)Cl)N C364100
CC(=O)OCCOCn1cnc2c1nc(nc2Cl)N C364150
CC(C(=O)C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl C364540
c1ccc(c(c1)C=C(C#N)C#N)Cl C364545
CS(=O)(=O)O.c1ccc(cc1)c2cccc(c2)CN3CCN(CC3)c4cc(cc5c4oc(=O)[nH]5)Cl C364550
c1ccc(c(c1)C(=O)c2ccc(cc2)Cl)C(=O)O C364555
c1ccc(c(c1)CN2CCN(CC2)c3ccc(cc3)C(=O)O)c4ccc(cc4)Cl C364560
[2H]C1(C(N(C(C(N1Cc2ccccc2c3ccc(cc3)Cl)([2H])[2H])([2H])[2H])c4ccc(cc4)C(=O)O)([2H])[2H])[2H] C364562
c1ccc(c(c1)C(Cl)(Cl)Cl)Cl C364570
c1ccc(cc1)C(=O)c2ccccc2Cl C364575
CC(C)(c1ccc(cc1)O)c2ccc(c(c2)Cl)O C364580
[2H]c1c(c(c(c(c1C=O)[2H])[2H])Cl)[2H] C364592
c1ccc2c(c1)c(ns2)Cl C364605
c1ccc(cc1)Cc2ccccc2NC(=O)CCl C364615
c1cc2c(cc1Cl)c(=O)[nH]s2 C364620
c1cc2c(cc1Cl)s[nH]c2=O C364625
c1ccc(c(c1)C(=O)O)Cl C364640
c1cc(cc(c1)Cl)C(=O)O C364645
c1cc(ccc1C(=O)O)Cl C364650
c1cc(c(cc1/C=C/2\C(=O)NC(=O)S2)Cl)OCCC3CCCCC3 C364655
[2H]C([2H])(C1CCCCC1)C([2H])([2H])Oc2ccc(cc2Cl)/C=C/3\C(=O)NC(=O)S3 C364657
c1ccc2c(c1)N=C(c3cc(ccc3O2)Cl)N4CCN(CC4)C5=Nc6ccccc6Oc7c5cc(cc7)Cl C364660
CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccccc2Cl C364675
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2ccccc2Cl C364677
CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2cccc(c2)Cl C364680
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2cccc(c2)Cl C364682
c1cc(ccc1CNc2ccc(c(c2)N)N)Cl C364700
c1ccc(c(c1)CN)Cl C364705
c1cc(ccc1CC2CNC2)Cl C364710
c1ccc(c(c1)C[n+]2ccc3c(c2)ccs3)Cl.[Cl-] C364750
[2H]c1c(c(c(c(c1[2H])C[n+]2ccc3c(c2)ccs3)Cl)[2H])[2H].[Cl-] C364752
CC(C(=O)c1ccc(c(c1)Cl)Cl)NC(C)(C)C.C(=C/C(=O)O)\C(=O)O C364760
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1ccc(c(c1)Cl)Cl.C(=C/C(=O)O)\C(=O)O C364762
CC(C(=O)c1cc(cc(c1)Cl)Cl)NC(C)(C)C.C(=C/C(=O)O)\C(=O)O C364765
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1cc(cc(c1)Cl)Cl.C(=C/C(=O)O)\C(=O)O C364767
Cn1c2c(nc1Cl)n(c(=O)n(c2=O)C)C C364780
c1ccc(cc1)CO[C@H]2CCC(CC2)[n@@]3nnnc3CCCCCl C364800
c1ccc(cc1)C(c2ccccc2Cl)N3CCN(CC3)CCOCC(=O)O C364840
c1ccc(cc1)C(c2cccc(c2)Cl)N3CCN(CC3)CCOCC(=O)O C364845
c1ccc(c(c1)c2c3cc(ccc3nc(n2)C(=O)O)Cl)Cl C364865
c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCCl C364890
c1cc(c(cc1C(=O)O)S(=O)(=O)Cl)Cl C364950
[13cH]1[13cH][13c]([13c]([13cH][13c]1C(=O)O)S(=O)(=O)Cl)Cl C364952
C1CCC(CC1)NC(=O)CCCCCl C364955
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)CCCCCl)([2H])[2H])([2H])[2H])[2H] C364957
CCOC(=N)c1ccc(cc1)Cl.Cl C364980
CSC(=N)Nc1c(ccc2c1nsn2)Cl.I C364985
c1cc(c(c2c1nsn2)NC#N)Cl C364990
c1cc(c(c2c1nsn2)NC(=S)N)Cl C364995
c1ccc2c(c1)C(=O)OP(O2)Cl C365000
CCOc1cc2c(cc1[N+](=O)[O-])c(c(cn2)C#N)Cl C365005
[2H]c1c(c(c(c(c1C(=O)NC(C(=O)OCC)C(=O)OCC)[2H])[2H])Cl)[2H] C365012
c1cc2c(cc1Cl)n[se]n2 C365015
c1ccc(c(c1)C(=O)CC#N)Cl C365023
c1cc(ccc1C(=O)CC#N)Cl C365025
c1cc(cc(c1)Cl)C(=O)C2CCNCC2 C365030
c1cc(cc(c1)Cl)C(=O)C2CCNCC2.Cl C365031
CC(C)c1ccc(cc1)N(Cc2ccc(cc2)Cl)N.Cl C365033
c1ccc(c(c1)C(=O)CBr)Cl C365034
CC(C(=O)c1cccc(c1)Cl)Br C365035
COC(CCCCl)OC C365036
C1CCC(CC1)n2c(nnn2)CCCCCl C365038
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])n2c(nnn2)CCCCCl)([2H])[2H])([2H])[2H])[2H] C365039
C(CC#N)CCl C365041
c1ccc(cc1)Cn2cnc3c2c(ncn3)Cl C365043
c1ccc(cc1)Cn2cnc3c2ncnc3Cl C365045
COCCOc1cc2c(cc1OCCCl)c(ncn2)Cl C365046
COCCOc1cc2c(cc1OCCCl)ncnc2Cl C365048
c1cc(ccc1C(c2cc(ccc2Cl)C(F)(F)F)(F)F)Cl C365050
CCOC(CCCCl)OCC C365051
c1c2c(cc(c1OCCCl)OCCCl)ncnc2Cl C365052
c1ccc(cc1)c2ccc(cc2)Cl C365053
c1c2c(cc(c1CCCl)Cl)NC(=O)C2 C365054
C=C(CC(=O)c1ccc(cc1)c2ccc(cc2)Cl)C(=O)O C365055
Cc1ccnc(c1NC(=O)c2cccnc2Cl)Cl C365056
c1cc(c(cc1S(=O)(=O)Cl)C(=O)O)Cl C365057
c1cc(c(cc1S(=O)(=O)Cl)S(=O)(=O)N)Cl C365060
[2H]C1(CC(CC(C1([2H])C2=C(C(=O)c3ccccc3C2=O)Cl)([2H])[2H])c4ccc(cc4)Cl)[2H] C365067
CC(=O)c1ccc2c3cc(ccc3[nH]c2c1)Cl C365070
c1ccc2c(c1)CCc3ccc(cc3N2CCCCl)Cl C365075
c1cc(ccc1/C=C/C(=O)O)Cl C365080
CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Cl C365085
CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Cl.Br C365090
c1ccc2c(c1)c3c(ccnc3[nH]2)Cl C365095
c1cncc(c1C#N)Cl C365100
c1cc(ncc1C#N)Cl C365105
c1cc(c(nc1)Cl)C#N C365110
c1cc(ccc1Nc2c3c(nc(n2)Cl)n(cn3)C4CCCCC4)N5CCOCC5 C365120
c1cc(c(cc1Cl)C2CCCC2)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O C365125
COC(=O)N1c2ccc(cc2[C@@](OC1=O)(C#CC3CC3)C(F)(F)F)Cl C365130
[2H]C1(C(C1([2H])[2H])C#CC(c2cc(cc3c2[nH]c(=O)o3)Cl)(C(F)(F)F)O)[2H] C365133
c1c2c(cc(c1F)Cl)n(cc(c2=O)C(=O)O)C3CC3 C365135
c1cc(c(cc1Cl)C(C#CC2CC2)(C(F)(F)F)O)N C365138
COc1ccc(cc1)C2Nc3ccc(cc3[C@](O2)(C#CC4CC4)C(F)(F)F)Cl C365140
COc1ccc(cc1)CNc2ccc(cc2C(C#CC3CC3)(C(F)(F)F)O)Cl C365145
COc1ccc(cc1)CNc2ccc(cc2C(C#CC3CC3)(C(F)(F)F)O)Cl C365148
COc1ccc(cc1)C(=O)Nc2ccc(cc2C(C#CC3CC3)(C(F)(F)F)O)Cl C365150
c1c(c(nc(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)Cl C365155
CC(C(=O)c1cccc(c1)Cl)N C365160
Cc1ccnc(c1NC(=O)c2cccnc2Cl)NC3CC3 C365165
c1c[nH]c2c1c(nc(n2)N)Cl C365170
c1c[nH]c2c1c(ncn2)Cl C365175
c1c[nH]c2c1c(ncn2)Cl.[Cl] C365176
c1cn(c2c1c(ncn2)Cl)[C@H]3[C@H](C([C@H](O3)CO)O)O C365180
c1cn(c2c1c(ncn2)Cl)[C@@H]3[C@H](C([C@H](O3)CO)O)O C365181
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO[Si](C)(C)C(C)(C)C)n3ccc4c3ncnc4Cl)C C365185
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3Cl)OC(=O)C)OC(=O)C C365187
C[C@@H]1C([C@@H]([C@@H](O1)n2cc(c(nc2=O)N)Cl)O)O C365188
CC1(OCC(O1)[C@@H]2C([C@H]3[C@@H](O2)OC(O3)(C)C)Cl)C C365190
C(C1[C@H]([C@@H](C([C@@H](O1)O)O)Cl)O)O C365195
c1ccc(c(c1)c2c3cc(ccc3nc(n2)C=O)Cl)Cl C365200
c1cc(ccc1/C=C(\C#N)/C(=O)O)Cl C365205
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Cl)N2C(=O)c3ccccc3C2=O)OC(=O)C)OC(=O)C C365210
CN(C)CCCC1(c2ccc(cc2CO1)Cl)c3ccc(cc3)F.C(=O)(C(=O)O)O C365215
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C(C(=O)C=C[C@]34C)Cl C365220
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)Cl)OC(=O)C C365225
Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COC(c3ccccc3)(c4ccccc4)c5ccccc5)Cl C365230
c1c(c(=O)[nH]c(=O)n1[C@H]2CC([C@H](O2)CO)O)Cl C365233
c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)Cl C365235
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cc(c(=O)[nH]c2=O)Cl)OC(=O)C C365236
c1ccc2c(c1)C(=Nc3ccccc3S2)Cl C365238
C[C@@H]1[C@@H](C([C@@H](O1)n2cc(c(=O)[nH]c2=O)Cl)O)O C365240
[2H]c1cc(c(c(c1Cl)[2H])Cl)Oc2ccc(cc2C(=O)C)Cl C365241
[2H]c1c(c(c(c(c1Oc2ccc(cc2C(=O)C)Cl)Cl)[2H])Cl)[2H] C365242
Cc1c(c(nc(n1)F)F)Cl C365243
CCN(CC)Cc1c[nH]c2c1ccc(c2)Cl C365244
c1cc2c(nc1)C(=O)c3ccc(cc3CC2)Cl C365245
c1ccc2c(c1)C(=O)Nc3cc(ccc3N2)Cl C365250
c1cc2c([n+](c1)[O-])C(=O)c3ccc(cc3CC2)Cl C365255
CCN(CC)CCNC(=O)c1cc(nc2c1cccc2)Cl C365260
c1cc2c(nc1)C(c3ccc(cc3CC2)Cl)c4cc[n+](cc4O)[O-] C365265
c1ccc(c(c1)C2=NC/C(=C\[N+](=O)[O-])/Nc3c2cc(cc3)Cl)F C365270
c1ccc(c(c1)C2=NC/[13C](=C\[N+](=O)[O-])/Nc3c2cc(cc3)Cl)F C365272
COC(=O)c1cc(cc2c1OCC(=O)N2)Cl C365275
COCCCN1C[C@H](c2cc(sc2S1(=O)=O)Cl)O C365280
c1ccc(c(c1)C2=NCC(=S)Nc3c2cc(cc3)Cl)Cl C365285
c1ccc2c(c1)NC(=O)c3cc(ccc3O2)Cl C365290
[2H]C([2H])([2H])N1c2cc(cc(c2OCC1=O)C(=O)OC)Cl C365302
[2H][13C]([2H])([2H])N1c2cc(cc(c2OCC1=O)C(=O)OC)Cl C365303
CCCC#CC1(c2cc(ccc2NC(=O)O1)Cl)C(F)(F)F C365305
c1cc(c(c(c1O)C(=O)O)O)Cl C365310
c1ccc2c(c1)n(c(=O)n2CCCN3CCC(CC3)n4c5ccc(cc5[nH]c4=O)Cl)CCCN6CCC(CC6)n7c8ccc(cc8[nH]c7=O)Cl C365315
c1c(cc(c(c1F)CC#N)F)Cl C365320
c1cc(c(cc1C(=O)CCl)O)O C365325
CC(C)n1cnc2c1nc(nc2N(Cc3ccccc3O)Cc4ccccc4O)Cl C365330
COC(CCCCl)(c1ccc(cc1)F)OC C365335
CC(C)C(CCCCl)(C#N)c1ccc(c(c1)OC)OC C365340
CC(C(c1ccc2c3cc(ccc3[nH]c2c1)Cl)(OC)OC)O C365345
COc1cc2c(cc1OC)ncnc2Cl C365350
COc1cc(nc(n1)OC)Cl C365355
COc1nc(nc(n1)Cl)OC C365360
COc1c(c(nc(n1)OC)Cl)[13CH]=O C365367
c1nc2c(c(n1)Cl)CCN2 C365370
Cc1cccc(c1NC(=O)CCl)C C365375
C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)Cl)C C365380
[2H]C([2H])(C([2H])([2H])Cl)N(C)C.Cl C365392
CN(C)c1ccnc(n1)Cl C365400
CC1(N=C(c2ccccc2O1)Cl)C C365410
CC(C)(C)C#C/C=C/CCl C365415
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3ccc4c3nc(nc4Cl)N)CO[Si](C)(C)C(C)(C)C)C C365420
Cc1cc(c(nc1C)Cl)C(=O)O C365425
CCOC(=O)C(C)(C)CC(=C)Cl C365430
Cc1c(nc(c(c1OC)C(=O)OC)Cl)C C365435
Cc1cc(c(nc1C)Cl)C#N C365440
Cc1c([n+](ccc1Cl)[O-])C C365450
Cc1cc(ncc1C)Cl C365455
C(=O)(C(F)(F)Cl)[O-].[Na+] C365460
c1ccc(c(c1)Cn2c(cc(=O)[nH]c2=O)Cl)C#N C365465
Cn1c(=O)cc(n(c1=O)Cc2ccccc2C#N)Cl C365470
[2H]C([2H])([2H])n1c(=O)cc(n(c1=O)Cc2ccccc2C#N)Cl C365472
C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2C(=O)Nc4cc(ccc4C(F)(F)F)C(F)(F)F)CC[C@H]5[C@]3(C(CC(=O)N5)Cl)C C365475
Cc1c(cccc1Cl)NC(=O)c2cccnc2Cl C365480
c1c(c(cc(c1S(=O)(=O)Cl)Cl)O)C(=O)O C365490
[2H]c1c(c(c(c(c1[2H])C2=CCCCC2)Cl)[2H])[2H] C365497
C1COP(O1)Cl C365500
Cc1cc(n(n1)C)Cl C365515
Cc1c(c(=O)n2ccccc2n1)CCCl C366150
[2H]C([2H])(c1c(nc2ccccn2c1=O)C)C([2H])([2H])Cl C366152
Cc1c(c(=O)n2c(n1)CCCC2)CCCl C366155
[2H]C([2H])(c1c(nc2n(c1=O)CCCC2)C)C([2H])([2H])Cl C366157
CN1CCCCC1CCCl.Cl C366160
[2H]C([2H])([2H])N1CCCCC1CCCl.Cl C366162
CN1CCCCC1CCCl.Cl C366165
C1CNCCN(P(=O)(OC1)O)CCCl C366170
[2H]C([2H])(C([2H])([2H])Cl)P(=O)(O)O C366177
c1nc(c2c(n1)n(cn2)CCCl)N C366190
CCc1ccnc(c1)Cl C366220
c1cc(c(c(c1Cl)CC(=O)O)Cl)Cl C366240
CCOc1cc2c(cc1[N+](=O)[O-])c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F C366260
Cc1c(c(=O)n2c(n1)C(CCC2)O)CCCl C366270
Cc1c(c(=O)n2c(n1)CCC(C2)OC)CCCl C366275
c1cc(c(c(c1)Cl)C=O)F C366280
c1ccc2c(c1)nc(n2Cc3ccc(cc3)F)Cl C366290
c1cc(c(c(c1)Cl)F)CBr C366300
c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)I C366310
c1cc(ccc1C(=O)CCCCl)F C366345
CCOC(=O)c1cn(c2c(c1=O)cc(c(n2)Cl)F)c3ccc(cc3F)F C366350
c1cc(ccc1n2cc(c(=O)c3c2cc(c(c3)F)Cl)C(=O)O)F C366355
c1cc(c(cc1F)C(=O)CCl)O C366360
c1cc(ccc1n2ccc3c2ccc(c3)Cl)F C366370
c1cc(c(c(c1)Cl)CC(=O)O)F C366375
c1cc(c(cc1NC(=O)CC#N)Cl)F C366380
c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)C=O C366385
CNC1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl C366395
CN[13C]1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl C366397
Cc1n-2c(c[n+]1[O-])C[N+](=C(c3c2ccc(c3)Cl)c4ccccc4F)[O-] C366415
Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)Cl C366420
Cc1c(c(n(n1)C)Cl)C(=O)c2ccccc2F C365520
CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)C(=O)CCl)n(n1)C C365535
Cc1ccc(nn1)Cl C365550
Cc1cc(cnc1)CCl.Cl C365555
CN(C)Cc1c(nc2n1cc(cc2)Cl)c3ccc(cc3)Cl C365580
c1cc(ccc1c2cn3cc(ccc3n2)Cl)Cl C365600
c1cc(ccc1c2c(n3cc(ccc3n2)Cl)CC(=O)N)Cl C365610
c1cc(ccc1c2c(n3cc(ccc3n2)Cl)CC(=O)O)Cl C365620
c1cc(ccc1c2c(n3cc(ccc3n2)Cl)CC#N)Cl C365630
CC(=O)N/N=C/1\CN=C(c2cc(ccc2N1)Cl)c3ccccc3Cl C365635
[2H]C([2H])([2H])C(=O)N/N=C/1\CN=C(c2cc(ccc2N1)Cl)c3ccccc3Cl C365637
c1ccc(c(c1)C2=NC/C(=N\N)/Nc3c2cc(cc3)Cl)Cl C365640
CCN(CC)CCOc1ccc(cc1Cl)/C(=C(\c2ccccc2)/Cl)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O C365645
CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccc(cc2)Cl)/Cl)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O C365650
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CCl)O)N)O C365655
C1(C(=C(C(=O)O1)Cl)C(Br)Br)O C365660
C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O C365665
c1cc(c(cc1F)F)C(=O)CCl C365670
c1c(cc(c2c1OCCO2)Cl)CC3CNC3 C365675
c1c(cc(c(c1C(F)(F)F)Cl)[N+](=O)[O-])[N+](=O)[O-] C365680
c1ccc(cc1)C(c2ccccc2Cl)(Cl)Cl C365685
COc1cc(c(c(c1)Cl)N)OC C365690
CN1CC[N+](=C1Cl)C.[Cl-] C365695
c1cc2c(cc1Cl)[C@](OC(=O)N2)(C#CC3CC3Cl)C(F)(F)F C365700
c1ccc2c(c1)Cc3cc(ccc3N4C2CN=C4N)Cl.Cl C365710
C(CCl)OCC(=O)Cl C365715
CCOc1cc(cc(c1OC)Cl)CC2CNC2 C365720
c1cc(ccc1NC(=O)COCCCl)[N+](=O)[O-] C365725
[2H]c1c(c(c(c(c1NC(=O)COCCCl)[2H])[2H])[N+](=O)[O-])[2H] C365727
CCOc1cc(nc2c1cccc2)Cl C365730
C=C(c1ccc(cc1)F)Cl C365737
[2H]C([2H])(C([2H])([2H])Cl)N.Cl C365740
C(COCCCl)O C365745
CCOC(c1ccccc1)(c2ccccc2)c3ccccc3Cl C365752
[2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCCl)\c2ccc(cc2)O[Si](C)(C)C(C)(C)C)/c3ccccc3 C365753
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCCl)/c3ccccc3 C365754
C(COCCOCCCl)O C365760
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365775
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365777
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365780
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCCl)/c3ccccc3 C365782
CCC(c1ccccc1)C(=O)c2ccc(cc2)OCCCl C365783
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCCl)/c3ccccc3 C365785
[2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)C(=O)c2ccc(cc2)OCCCl C365792
c1ccc(cc1)CC(=O)c2ccc(cc2)OCCCl C365795
C(CNCCCl)CO.Cl C365915
COc1ccc(cc1)CCCl C365925
CC(c1ccc2cc3ccccc3cc2c1)Cl C365975
c1ccc(cc1)C(c2ccccc2)OCCCl C366025
CCn1cc(c(=O)c2c1cc(c(c2)F)Cl)C(=O)O C366045
CC(OC(=O)Cl)Cl C366060
c1ccc2c(c1)[nH]c(=O)n2CCCl C366075
Cc1ccc2nc(c(c(=O)n2c1)CCCl)C C366090
CCc1c(c(ncn1)Cl)F C366095
c1ccc2c(c1)C(=O)N(C2=O)CCCl C366100
[2H]C([2H])(C([2H])([2H])Cl)N1C(=O)c2ccccc2C1=O C366102
C1CN(C(=O)N1)CCCl C366110
CS(=O)(=O)SCCCl C366125
Cc1c(c(=O)n2cc(ccc2n1)OC)CCCl C366135
Cc1c(c(=O)n2cccc(c2n1)OCc3ccccc3)CCCl C366140
[2H]C([2H])(c1c(nc2c(cccn2c1=O)OCc3ccccc3)C)C([2H])([2H])Cl C366147
Cc1ncc2n1-c3ccc(cc3C(=[N+](C2)[O-])c4ccccc4F)Cl C366425
Cc1cc2c(nc(nc2s1)Cl)c3ccccc3F C366430
CN(C1=Nc2ccc(cc2C(=NC1)c3ccccc3F)Cl)N=O C366435
CC(C(=O)c1ccc(cc1)F)Cl C366440
c1c(cnc(c1C=O)F)Cl C366445
c1c(cnc(n1)Cl)F C366450
c1cc2c(nc3cc(ccc3n2c1)F)Cl C366460
[2H]c1c(c(oc1[2H])C(=O)O[C@@]2([C@@H](C[C@@H]3[C@@]2(C[C@H]4[C@@]5(C3CCC6=CC(=O)C=C[C@@]65C)O4)C)C)C(=O)CCl)[2H] C366527
c1ccc(cc1)C2=NCC(=Nc3c2cc(cc3)Cl)NN C366530
c1cc(c(cc1/[13CH]=[13CH]/[13C](=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O C366542
[13cH]1[13cH][13c]([13c]([13cH][13c]1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O C366543
c1ccc(c(c1)C(=O)NCC(=O)O)Cl C366545
[2H]c1cccc(c1C(=O)NC([2H])([2H])C(=O)O)Cl C366547
c1c2c(c(c(c1S(=O)(=O)N)Cl)Cl)NCNS2(=O)=O C366550
CC(=O)c1ccc(c(c1)Cl)O C366580
c1cc(ccc1Nc2ccnc3c2ccc(c3)Cl)O C366590
Cc1cc(ccc1Cl)N C369075
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C[C@@H]([C@]34C)CCl)Cl)C)OC(=O)C C369085
c1cc(ncc1Cl)NC(=O)c2c(nccn2)CCl C369095
c1cc(cc(c1)C(=O)O)CCl C369100
[2H]c1c(c(c(c(c1[2H])[2H])c2cccc(c2C)Cl)[2H])[2H] C369107
c1ccc(cc1)C(=O)c2ccc(cc2)CCl C369110
Cc1cc2c(cc1Cl)n[se]n2 C369120
CCN(CC)C(=O)OCCl C369125
Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CCl C369130
CS(=O)(=O)SCc1ccc(cc1)CCl C369135
CCOC(=O)C(C)c1ccc(cc1)CCl C369140
[2H]C1(CC(CC(N1C)([2H])[2H])Cl)[2H].Cl C369142
Cc1ccnc(c1[N+](=O)[O-])Cl C369145
CC(C)(CCCl)O C369150
C/C(=C\C#N)/CCl C369155
CN1c2ccccc2C(=O)c3ccc(cc3S1(=O)=O)Cl C369158
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCCl C369160
[2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCCl C369162
c1cc(c(cc1O)Cl)C(=O)O.O C366595
[2H][13C]([2H])([2H])OC(=O)c1cc(ccc1O)Cl C366602
CC(C)n1cnc2c1nc(nc2NCc3ccccc3O)Cl C366610
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H](C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)O)C)OC(=O)C C366615
c1cc2c(cc1S(=O)(=O)Cl)c(=O)[nH]cc2Cl C366620
Cc1c(ccnc1CO)Cl C366625
CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)OC C366630
CC(=O)Nc1cc(cc(c1O)[N+](=O)[O-])Cl C366635
Cc1cnc(s1)NC(=O)C2=C(c3c(cc(s3)Cl)S(=O)(=O)N2C)O C366640
CCNC(=S)Nc1ccc(cc1C(C)(c2ccccc2)O)Cl C366645
c1c(c[nH]c(=O)c1[N+](=O)[O-])Cl C366650
c1cc(ccc1CCNC(=O)c2ccc(cc2)Cl)O C366660
[2H]c1c(c(c(c(c1C(=O)NCCc2ccc(cc2)O)[2H])[2H])Cl)[2H] C366662
c1cc2c(cc1O)Sc3ccc(cc3N2)Cl C366665
c1c(ncnc1Cl)O C366670
c1ccc(c(c1)C(=O)c2ccc(cc2)O)Cl C366690
c1cc(cc(c1)Cl)C(=O)c2ccc(cc2)O C366695
c1cc(ccc1C(=O)c2ccc(cc2)Cl)O C366700
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)O)OC(=O)C)OC(=O)C C366750
c1c(nc[nH]1)Cl C366825
c1c(nc[nH]1)C[C@@H](C(=O)O)Cl C366870
c1c(nc[nH]1)C[C@H](C(=O)O)Cl C366871
c1cc(nn2c1nc(c2)C(=O)O)Cl C366900
c1ccc2c(c1)CCc3ccc(cc3N2)Cl C366920
c1cc(c(cc1Cl)N)C(=O)CC(C(=O)O)N C366940
c1cc(c(cc1Cl)N)C(=O)C[13CH]([13C](=O)O)[15NH2] C366942
c1cc2c(cc1C(=O)CCCl)CCC2 C366970
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4Cl)Cl)CC1 C366975
C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)CCl C366980
C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@]46CCC(=O)O6)C)CCl C366985
Cn1ccc2c1ncnc2Cl C366995
c1cc2c(cc[nH]2)c(c1)Cl C367000
c1cc2c(c[14cH][nH]2)c(c1)Cl C367002
c1cc(cc2c1cc[nH]2)Cl C367005
c1cc2c(c(c1)Cl)c(c[nH]2)CC(=O)O C367020
c1nc2c(=O)[nH]c(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)Cl C367150
c1[nH]c(=O)c2c(n1)n(c(n2)Cl)[C@H]3C([C@H]([C@H](O3)CO)O)O C367155
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)Cl)OC(=O)C)OC(=O)C C367165
C(C(=O)O)(Cl)I C367170
c1cc(c(cc1I)Cl)N C367175
c1cc(c(c(c1)Cl)I)N C367180
c1cc(c(c(c1)I)C#N)Cl C367190
c1cc(c(cc1I)Cl)Nc2c(ccc(c2F)F)C(=O)O C367210
CN1CCC[C@H]1c2cnc(cc2I)Cl C367220
CN1CCC[C@H]1c2cc(c(nc2)Cl)I C367225
c1cc(c(nc1)Cl)I C367260
c1cnc(cc1I)Cl C367270
c1c(c(c[nH]c1=O)Cl)I C367285
c1cc2c(cc1I)c(ncn2)Cl C367295
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)I)OC(=O)C)OC(=O)C C367300
CCC(=O)OC(C(C)C)Cl C367350
c1cc2cnccc2c(c1)Cl C367400
c1cc2ccncc2c(c1)Cl C367405
c1cc(cc2c1cc(nc2)C(=O)O)Cl.Cl C367425
c1cc2c(ccnc2Cl)c(c1)S(=O)(=O)O C367450
c1cc(c2cnccc2c1S(=O)(=O)O)Cl C367455
c1cc(c2cnccc2c1S(=O)(=O)N3CCNCC3)Cl C367500
c1cc2c(ccnc2Cl)c(c1)S(=O)(=O)Cl C367600
c1cc(c2cnccc2c1S(=O)(=O)Cl)Cl C367605
c1cc2c(ccnc2Cl)c(c1)S(=O)(=O)N3CCCNCC3 C367650
C(C(C(=O)O)O)Cl C367670
COC(=O)[C@H](c1ccccc1Cl)O C367690
Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)Cl)C(C)C C367710
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)Cl)C)C([2H])([2H])[2H] C367712
c1cc(ccc1S(=O)(=O)[O-])[Hg+].[Na+].[Cl-] C367750
c1cc(ccc1C(=O)O)[Hg+].[Cl-] C367800
COc1cc(ccc1N)Cl C367820
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)N)Cl C367895
[2H][13C]([2H])([2H])Oc1ccc(cc1C(=O)O[13C]([2H])([2H])[2H])Cl C367907
[2H][13C]([2H])([2H])Oc1ccc(cc1C(=O)O)Cl C367912
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)O)Cl C367915
COc1ccc(cc1C(=O)NCCc2ccc(cc2)OP(=O)(O)O)Cl C367920
COc1ccc(cc1)C(=O)c2cccc(c2)Cl C367925
COc1ccc(cc1)C(=O)c2ccccc2Cl C367930
COc1cccc(c1C#N)Cl C367935
COCCCCCl C367940
COc1c2cc[nH]c2nc(n1)Cl C367950
COc1nc2c(cc[nH]2)c(n1)Cl C367955
COc1cc2c(nc1)C(=O)c3ccc(cc3CC2)Cl C367958
COCCc1ccc(cc1)OCC(CCl)O C367980
COc1cc2c(cc[nH]2)c(c1)Cl C368000
COc1cc(cc2c1cc[nH]2)Cl C368500
CNc1cc(c(cc1Cl)C(=O)O)OC C368650
CN1CCC(CC1)C2(c3ccc(cc3CCc4c2ncc(c4)OC)Cl)O C368680
[2H]C1(CC(CC(N1C)([2H])[2H])C2(c3ccc(cc3CCc4c2ncc(c4)OC)Cl)O)[2H] C368682
CN(C(=O)c1cnc(cn1)Cl)OC C368700
Cc1c(c(cc[n+]1[O-])Cl)OC C368710
COc1cc(ncc1C(=O)O)Cl C368730
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)Cl)Oc4ccccc4OC C368750
COCCCCl C368760
CC(C)(C)C(=O)Nc1ccc(cc1OC)Cl C368770
COc1ccc(cc1)c2ccc(nn2)Cl C368773
Cc1c(ccnc1CCl)OCCCOC C368775
COc1cccc2c1nccc2Cl C368780
COc1ccc(cc1C(=O)NCCc2ccccc2)Cl C368785
CC(C(c1ccc(c(c1)S(=O)(=O)N)OC)Cl)N.Cl C368790
[2H]C([2H])([2H])C(C(c1ccc(c(c1)S(=O)(=O)N)OC)Cl)N.Cl C368792
CNc1ccc(cc1C(=O)c2ccccc2)Cl C369020
Cn1cc(c2c1cccc2Cl)CC(=O)O C369045
CNc1ccc(cn1)Cl C369060
Cc1cccc(c1N)Cl C369070
c1ccc2c(c1)c(ccc2C3CCCCC3)CCl C369165
COc1ccnc(c1OC)CCl.Cl C369170
[2H]c1c(nc(c(c1OC([2H])([2H])[2H])OC)C([2H])([2H])Cl)[2H].Cl C369172
CC1(O[C@H](C[C@H](O1)CCl)CC(=O)OC(C)(C)C)C C369175
COc1cc[n+](c(c1OC)CCl)[O-] C369180
Cn1cncc1Cl C369185
[13CH3]n1[13cH]n[13cH][13c]1Cl C369187
c1c(nc[nH]1)CCl.Cl C369190
CC(C)c1nc(cs1)CCl.Cl C369195
[2H]C([2H])([2H])C(c1nc(cs1)CCl)C([2H])([2H])[2H].Cl C369197
Cc1cnc(c(c1O)C)CCl C369200
COc1c2c(nc(n1)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O C369205
c1ccc(cc1)P(=O)(CCl)c2ccccc2 C369210
CC(=O)c1ccc(c(c1)CCl)O C369215
c1cc(oc1CCl)C=O C369220
CCCOC(=O)OCCl C369225
CC(C)OC(=O)OCCl C369230
Cn1c(=O)cc(s1)Cl C369235
[2H]C([2H])([2H])n1c(=O)cc(s1)Cl C369237
Cc1cnc(c(c1OC)C)CCl.Cl C369240
c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl C374760
c1cc2c(cc1[N+](=O)[O-])c(ncn2)Cl C374785
c1ccc2c(c1)c(c(cn2)[N+](=O)[O-])Cl C374825
c1cc2c(ccnc2cc1Cl)[N+](=O)[O-] C374830
c1c(c(cc(c1Cl)O)O)N=O C374860
[13cH]1[13c]([13c]([13cH][13c]([13c]1Cl)O)O)N=O C374862
Cc1ccc(cc1Cl)[N+](=O)[O-] C374880
CCCCCCCCn1c(=O)cc(s1)Cl C374900
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1c(=O)cc(s1)Cl C374902
c1coc(n1)Cl C374905
CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cccc4Cl C374910
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cccc4Cl)([2H])[2H])[2H] C374912
c1cc(cc(c1)Cl)C(=O)OO C374915
c1cc2c(cc1Cl)[nH]c(=O)n2C3CCN(CC3)C=O C374925
CC(C)(c1ccc(cc1)C(=O)CCCCl)C(=O)OC C374930
c1cc-2c(cc1Cl)C(=O)c3c2nc(c(n3)C#N)C#N C374935
CC(=O)C(=O)c1cccc(c1)Cl C379645
C/C(=N\O)/C(=O)c1cccc(c1)Cl C379648
c1ccc(cc1)C(CCCl)O C379650
Cc1cc(ccn1)Cl C379655
c1ccc2c(c1)cnnc2Cl C379660
c1cc(c(cc1N2CCNCC2)Cl)O C379665
Cc1c(ncc(c1OC)C(=O)OC)CCl C369245
Cc1nc(cs1)CCl.Cl C369250
Cc1ccc2c(c1)c([n+](c(n2)CCl)[O-])c3ccccc3 C369255
Cc1c(ccnc1CCl)OCC(F)(F)F.Cl C369260
C1C(OC(=O)N1)CCl C369265
c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)OC(=O)OCCl C369268
Cn1cnc(c1Cl)[N+](=O)[O-] C369270
[13CH3]n1[13cH]n[13c]([13c]1Cl)[N+](=O)[O-] C369272
Cc1cc2c(cccn2)c(c1Cl)[N+](=O)[O-] C369275
COc1ncc(s1)CCl C369280
c1ccc2c(c1)Cc3ccccc3N=C2CCl C369285
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)Cl)Cl C369290
COCCl C369295
CCOC(=O)OCCl C369300
COC(=O)OCCl C369305
Cn1c2cc(cnc2nc1Cl)c3ccccc3 C369310
Cc1c(ccnc1CCl)OC C369315
Cc1c[n+](c(c(c1OC)C)CCl)[O-] C369320
C(C1C(=O)OC(=O)N1)Cl C369325
[2H]C1(C(=O)OC(=O)N1)C([2H])([2H])Cl C369327
Cc1ccccc1C(c2ccccc2)OCCNCl C369330
Cc1c(oc(=O)o1)CCl C369335
C[N+](C)(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)CCl.[Cl-] C369340
Cc1c[nH]c(c(c1=O)C)CCl C369345
Cc1cc2c(cccn2)cc1Cl C369350
Cc1c(ccc2c1nccc2)Cl C369355
Cc1cc(cc2c1nccc2)Cl C369360
COc1cc(c2c(c1OC)C(=O)OC2)CCl C369365
Cc1c(cc[n+](c1CCl)[O-])OCC(F)(F)F C369370
Cc1csc2c1cccc2Cl C369380
Cc1cc2c(s1)Nc3ccccc3N=C2N4CC[N+](CC4)(C)CCl.[Cl-] C369390
CC(C)(C)OC(=O)n1cc(c2c1cccc2)CCl C369400
Cc1cc(c(nc1)CCl)C.Cl C369410
c1ccc2c(c1)cc(c3c2cccc3)CCl C369420
Cc1cc(c(cc1Cl)N)N C369435
Cc1c(cccc1Cl)NC(=O)c2cccnc2O C369440
Cc1nnc2n1c3ccc(cc3c(c2N)c4ccccc4)Cl C369445
Cc1c2ccccc2c(nn1)Cl C369450
Cc1c(cc[n+](c1C(=O)O)[O-])Cl C369455
Cc1cc(c(cc1Cl)[N+](=O)[O-])[N+](=O)[O-] C369460
Cc1cc(ccc1OCC(=O)O)Cl C369470
C[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)Cl C369475
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CCC4=C(C(C=C[C@]34C)O)Cl C369480
CC(CN1c2ccccc2Sc3c1cc(cc3)OC)CCl C369485
CN1CCC(CC1)Cl.Cl C369490
Cn1cnc2c1c(ncn2)Cl C369495
Cn1cnc2c1ncnc2Cl C369500
Cc1c(cc[n+](c1CO)[O-])Cl C369505
Cc1c[n+](ccc1Cl)[O-] C369510
[2H]C1(C(C1([2H])Nc2c(cccn2)C(=O)Nc3c(ccnc3Cl)C)([2H])[2H])[2H] C369517
Cc1ccc(nc1C(=O)O)Cl C369520
Cc1ccnc(n1)Cl C369530
c1c(nc[nH]1)C[C@@H](CCl)N C369535
c1cc(nc(c1)C#N)CCl C369540
c1c(nc(s1)NC(=N)N)CCl.Cl C369545
c1[13c](n[13c](s1)N[13C](=N)N)CCl.Cl C369547
Cc1nncn1c2ccc(cc2C(=O)c3ccccc3)Cl C369550
c1cc(c(cc1Cl)[N+](=O)[O-])N C369555
[2H]c1c(c(c(c(c1N)[N+](=O)[O-])[2H])Cl)[2H] C369557
C(CCCCCl)CCCO C369560
C1COCCN1c2nc(c(s2)C=O)Cl C369565
c1cc(c(nc1)Cl)C=O C369570
CN1CCC[C@H]1c2ccc(nc2)Cl C369575
c1c(cc(c(c1[N+](=O)[O-])Cl)S(=O)(=O)N)C(=O)O C369580
c1cc2c(cc1[N+](=O)[O-])Oc3ccc(cc3C(=O)N2)Cl C369585
c1cc(c2c(c1)Oc3ccc(cc3C(=O)N2)Cl)[N+](=O)[O-] C369590
CN1CC[C@]23c4c5ccc(c4O[C@H]2C=C[C@@H]([C@H]3[C@@H]1C5)Cl)O C369595
c1cc(c(nc1)C(=O)O)Cl C369600
c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)[O-].[K+] C370925
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)Cl C371000
c1cc2cc(ccc2c(c1)Cl)S(=O)(=O)Cl C371500
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)N3CCCNCC3.Cl C373500
c1ccc2c(c1)C(=O)C=C(C2=O)Cl C373650
CCOC(=O)c1ccc(nc1)Cl C373680
c1cc(c(nc1)Cl)C(=O)Cl C373700
COc1cc(ccc1Cl)[N+](=O)[O-] C373775
c1ccc(c(c1)C(=O)Nc2ccc(cc2)[N+](=O)[O-])Cl C373820
c1cc(c(cc1Cl)[N+](=O)[O-])C=O C373870
c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)[O-])Cl.[Na+] C373875
c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl C373880
c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)O)Cl C373883
c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)Cl)Cl C373885
c1cc(c(c2c1n[se]n2)[N+](=O)[O-])Cl C373890
c1cc(c2c(c1[N+](=O)[O-])non2)Cl C373895
c1cc(c(cc1C(=O)Cl)[N+](=O)[O-])Cl C373900
c1c(cc(c2c1[nH]c(=O)o2)[N+](=O)[O-])Cl C373915
c1ccc(cc1)Nc2cc(ccc2[N+](=O)[O-])Cl C373920
[2H]c1c(c(c(c(c1[2H])[2H])Nc2cc(ccc2[N+](=O)[O-])Cl)[2H])[2H] C373922
c1cc(c(cc1[N+](=O)[O-])O)Cl C373925
C([N+](=O)[O-])Cl C373930
c1c([nH]c(n1)Cl)[N+](=O)[O-] C373935
c1ccc(cc1)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-] C374050
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)Oc2ccc(cc2Cl)[N+](=O)[O-])O)O)O C374125
c1cc(c(cc1[N+](=O)[O-])Cl)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O C374200
CCOC(=O)CC(=O)N(c1ccccc1)c2cc(ccc2[N+](=O)[O-])Cl C374325
[2H]c1c(c(c(c(c1[2H])[2H])N(c2cc(ccc2[N+](=O)[O-])Cl)C(=O)CC(=O)OCC)[2H])[2H] C374327
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)Oc2ccc(cc2Cl)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C C374525
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc(cc2Cl)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C C374530
c1cc(sc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])Cl C374650
c1cncc(c1Cl)[N+](=O)[O-] C374700
CCOC(=O)CCCCC(=O)CCCl C374940
CN1CC(=C(C1=O)c2ccccc2Oc3ccc(cc3)Cl)O C374945
c1ccc(cc1)c2ccccc2NC(=O)CCl C374950
CC1(CCC(=C(C1)CO)c2ccc(cc2)Cl)C C374955
c1cc(cc(c1)Cl)CCc2cccnc2 C374960
c1cc(cc(c1)Cl)CCc2ccc[n+](c2)[O-] C374965
c1ccc2c(c1)Nc3cc(ccc3S2)Cl C374970
c1ccc(c(c1)N)Oc2ccc(cc2)Cl C374980
c1cc(cc(c1)Cl)O C375010
c1cc(ccc1OCCCCCCCl)Cl C375020
C=C(CCCCCCOc1ccc(cc1)Cl)C(=O)O C375050
C=C(CCCCCCOc1ccc(cc1)Cl)C(=O)N2CCC[C@H]2C(=O)O C375070
CC(C)(Cc1ccc(cc1)Cl)N.Cl C375080
[2H]C([2H])([2H])C(C)(Cc1ccc(cc1)Cl)N.Cl C375082
CCN(CC)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)(c3ccccc3)O C375100
CC(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl C375150
c1ccc(cc1)C(c2ccc(cc2)Cl)C(=O)C3C(=O)c4ccccc4C3=O C375250
CC(=O)Oc1ccccc1Cl C375375
c1cc(ccc1CC(=O)O)Cl C375400
c1ccc(c(c1)C(=O)Cc2ccc(cc2)Cl)C(=O)O C375450
C#Cc1ccccc1Cl C375500
C#Cc1ccc(cc1)Cl C376500
c1cc(ccc1C(=O)CBr)Cl C377250
c1cc(ccc1N)Cl C377500
[13cH]1[13cH][13c]([13cH][13cH][13c]1N)Cl C377502
c1cc(cc(c1)Cl)C2CNC2 C377545
c1cc(ccc1C2CNC2)Cl C377550
c1ccc(cc1)Nc2cccc(c2)Cl C377600
c1cc(cc(c1)F)COc2ccc(cc2Cl)N C377650
c1cc(cc(c1)Cl)N2CCN(CC2)CCCCl.Cl C377720
c1cc(ccc1NC(=N)NC#N)Cl C377735
[2H]C1(CC(CC(C1([2H])O)([2H])[2H])c2ccc(cc2)Cl)[2H] C377752
c1cc(ccc1C2CCC(=O)CC2)Cl C377800
c1cc(cc(c1)Cl)C2(CCCC2)C(=O)O C377810
c1ccc(c(c1)C(=O)C2CCCC2)Cl C377820
Cc1c(n(nc1C(=O)O)c2ccc(cc2Cl)Cl)c3ccc(cc3)Cl C377830
COc1cc(cc(c1)OC)NC(=O)c2ccc(o2)c3ccc(cc3)Cl C377832
CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)O)c4ccc(cc4)Cl)C C377840
c1ccc(cc1)C(c2ccccc2)c3ccccc3Cl C377890
c1cc(ccc1C2CCC3(CC2)OCCO3)Cl C377895
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)O C377900
c1cc(ccc1C2(CCC3(CC2)OCCO3)O)Cl C377905
c1cc(ccc1C2=CCC3(CC2)OCCO3)Cl C377920
CC(c1cccc(c1)Cl)N C377950
CCOC(=O)N1CCC(CC1)C(=O)c2c(cccn2)CCc3cccc(c3)Cl C378100
c1cc(ccc1C(CC(=O)O)CC(=O)O)Cl C378250
[2H]c1c(c(c(c(c1C(CC(=O)O)CC(=O)O)[2H])[2H])Cl)[2H] C378252
c1cc(ccc1C2CC(=O)OC(=O)C2)Cl C378300
[2H]c1c(c(c(c(c1C2CC(=O)OC(=O)C2)[2H])[2H])Cl)[2H] C378302
COCCCCC(=O)c1ccc(cc1)Cl C378350
COC(=O)C(c1ccccc1Cl)[N+]2=Cc3ccsc3CC2.[Br-] C378365
COC(=O)C(c1ccccc1Cl)[n+]2ccc3c(c2)ccs3.[Br-] C378370
c1ccc(c(c1)C[N+]2=Cc3ccsc3CC2)Cl.[Br-] C378375
c1ccc2c(c1)c(n[nH]c2=O)Cc3ccc(cc3)Cl C378400
c1ccc(cc1)C(CCN2CCC(CC2)(c3ccc(cc3)Cl)O)(C#N)c4ccccc4 C378430
CC1C(SC[C@H](N1)C(=O)O)(c2cccc(c2)Cl)O C378460
c1cc(ccc1C2(CCNCC2)O)Cl C378480
C[C@H](C(=O)c1cccc(c1)Cl)O C378485
C[C@@H](C(=O)c1cccc(c1)Cl)O C378490
CC(=O)C(c1cccc(c1)Cl)O C378500
CC(=O)C(c1cccc(c1)Cl)O C378505
[2H]C1(C(N2C(c3ccccc3C2(N1)c4ccc(cc4)Cl)O)([2H])[2H])[2H] C378512
c1ccc2c(c1)C(=O)N3C2(NCC3)c4ccc(cc4)Cl C378520
[2H]C1(C(N2C(=O)c3ccccc3C2(N1)c4ccc(cc4)Cl)([2H])[2H])[2H] C378522
CC(C)NC(=N)NC(=N)Nc1cccc(c1)Cl.Cl C378530
c1cc(ccc1NC(=N)NC(=N)N)Cl.Cl C378540
[2H]c1c(c(c(c(c1NC(=N)NC(=N)N)[2H])[2H])Cl)[2H].Cl C378542
Cc1c2c(c(cn1)C(c3ccc(cc3)Cl)O)COC(O2)(C)C C378550
[2H]c1c(c(c(c(c1C(c2cnc(c3c2COC(O3)(C)C)C)O)[2H])[2H])Cl)[2H] C378552
c1ccc(c(c1)CN2CCN(CC2)CCO)c3ccc(cc3)Cl C378700
[2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)Cc2ccccc2c3ccc(cc3)Cl C378702
CC(=O)CSc1ccccc1Cl C379100
C(CO)CCl C379200
c1ccc(c(c1)N2CCNCC2)Cl C379300
c1cc(ccc1CCOc2nc(c3c(n2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O)N)Cl C379460
c1c(ccc(c1)Cl)[C@H]2CC[C@@H](CC2)C(=O)O C379470
CCOC(=O)/C=C/1\CN(CCC1O)C(c2ccccc2Cl)C(=O)OC C379480
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)Nc4ccccc4)OC(=O)C)OC(=O)C C379485
c1ccc(c(c1)C2CO2)Cl C379490
c1cc(ccc1NC#N)Cl C379500
c1cc(cc(c1)Cl)C(C#N)C(=O)c2cccnc2 C379505
[2H]c1c(c(c(nc1[2H])[2H])C(=O)C(C#N)c2cccc(c2)Cl)[2H] C379507
c1cc(ccc1C2(CCC2)C#N)Cl C379510
[2H]C1(C(C(C1([2H])[2H])(C#N)c2ccc(cc2)Cl)([2H])[2H])[2H] C379512
c1ccc(c(c1)C(C#N)N2CCc3c(ccs3)C2)Cl C379515
[2H]C1(C(O1)([2H])C([2H])([2H])Cc2ccc(cc2)Cl)[2H] C379522
CCO/C=C/c1ccccc1Cl C379525
c1cc(ccc1[C@@H](CC(=O)[O-])CO)Cl.[Na+] C379528
c1cc(ccc1C(CC(=O)[O-])CO)Cl.[Na+] C379530
[2H]c1c(c(c(c(c1C(CC(=O)[O-])CO)[2H])[2H])Cl)[2H].[Na+] C379532
c1cc(ccc1[C@H](CC(=O)[O-])CO)Cl.[Na+] C379533
c1cc(ccc1C2(CCC(=O)CC2)O)Cl C379535
[2H]C([2H])(Cc1ccc(cc1)Cl)C([2H])(C([2H])([2H])n2ccnc2)O C379542
Cc1cc(ccc1O[C@H](CCCl)c2ccccc2)OC(=O)OC(C)(C)C C379545
c1ccc(cc1)CO[C@H]2CCC(CC2)NC(=O)CCCCCl C379550
Cc1nnc2n1-c3c(cc(s3)CCC(=O)O)C(=NC2)c4ccccc4Cl C379555
Cc1ccccc1O[C@H](CCCl)c2ccccc2 C379560
[2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])O[C@H](CCCl)c2ccccc2)[2H])[2H] C379562
Cc1ccccc1O[C@@H](CCCl)c2ccccc2 C379563
Cc1ccccc1OC(CCCl)c2ccccc2 C379564
Cc1nnc2n1-c3c(cc(s3)CCC(=O)OC)C(=NC2)c4ccccc4Cl C379565
Cc1cc2c(nc(=O)[nH]c2s1)c3ccccc3Cl C379570
c1cc(ccc1c2nc(on2)CCCC(=O)O)Cl C379573
c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCNCC3 C379574
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCNCC3 C379575
c1ccc(cc1)[C@@H](c2ccc(cc2)Cl)N3CCNCC3 C379576
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] C379577
c1cc(ccc1C2CC(=O)NC(=O)C2)Cl C379580
[2H]c1c(c(c(c(c1C2CC(=O)NC(=O)C2)[2H])[2H])Cl)[2H] C379582
c1cc(ccc1C(=O)C2CCNCC2)Cl.Cl C379585
c1cc(cc(c1)Cl)N2CCNCC2 C379590
c1cc(cc(c1)Cl)N2CCNCC2.Cl C379591
c1ccc(cc1)[C@H](CCCl)O C379595
c1ccc(cc1)[C@H](CCCl)O C379596
CCC(=O)C(C#N)c1ccc(cc1)Cl C379600
c1cc(cc(c1)Cl)CC(=O)c2cccnc2 C379605
[2H]c1c(c(c(nc1[2H])[2H])C(=O)Cc2cccc(c2)Cl)[2H] C379607
Cc1nnc2n1-c3c(cc(s3)C#CCO)C(=NC2)c4ccccc4Cl C379610
c1ccnc(c1)C(c2ccc(cc2)Cl)O C379615
Cc1c(c(no1)c2ccccc2Cl)C(=O)Cl C379620
c1cc(ccc1NC(=S)N)Cl C379625
c1cc(ccc1C2CO2)Cl C379630
CC(C)OP(=O)(C(P(=O)(OC(C)C)OC(C)C)Sc1ccc(cc1)Cl)OC(C)C C379635
c1cc(ccc1/C=C\2/c3cc(ccc3-c4c2cc(cc4C5CO5)Cl)Cl)Cl C379640
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(c(c2)Cl)O)([2H])[2H])[2H] C379667
c1cc2c(cc1Cl)snc2N3CCNCC3 C379670
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c3ccc(cc3sn2)Cl)([2H])[2H])[2H] C379672
c1cc2c(cc1Cl)c(ns2)N3CCNCC3 C379675
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c3cc(ccc3sn2)Cl)([2H])[2H])[2H] C379677
c1cc2c(c(c1)Cl)snc2N3CCNCC3 C379680
[13cH]1[13cH][13cH]n[13c]([13cH]1)Cl C380608
c1cc(c[n+](c1)[O-])Cl C380625
c1ccnc(c1)NC(=O)CCl.Cl C380640
c1ccc2c(c1)c(nnc2Cl)Cc3ccncc3 C380650
c1cc(ncc1Cl)NC(=O)c2c(nccn2)CO C380660
c1c(nc(nc1Cl)N)N C380950
c1cc(nc2c1cc(cc2)S(=O)(=O)Cl)Cl C381240
c1cc2c(ccc(c2nc1)S(=O)(=O)O)Cl C381245
c1cc2c(ccc(c2nc1)S(=O)(=O)Cl)Cl C381250
c1cc2ccc(cc2nc1)Cl C381340
c1cc(c(cc1Nc2ccnc3c2ccc(c3)Cl)C=O)O C381350
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C432501
[2H]C1=C2[C@](CC([C@](C2([2H])[2H])([2H])O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C C432502
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] C432503
[2H]C([2H])([2H])C([2H])(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C432504
C[C@@H](CCC=C(C)C)CCO C525030
C(C[C@@H](C(=O)O)N)CNC(=O)N C535700
[2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])NC(=O)N C535702
C[C@H]1[C@@H]([C@@](CC(O1)O)(C)OC)O C557480
c1nc2c(nc(nc2n1[C@H]3CC([C@H](O3)CO)O)Cl)N C557500
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O C559750
[2H]C([2H])([2H])N(C)[C@H]1C[C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]2(C)OC)C)C)O)(C)O)CC)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)C C559752
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)[14CH3])O)(C)OC)C)C)O)(C)O C559753
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/O)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O C559760
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O C559770
C[C@@H]1[C@H]2[C@](C(=O)O2)(NC1=O)[C@H](C(C)C)O C562500
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c3cccc(c3sn2)Cl)([2H])[2H])[2H] C379682
C(CS(=O)(=O)Cl)CCl C379685
C(C(CO)Cl)O C379690
[2H]C([2H])(C([2H])(C([2H])([2H])O)Cl)O C379692
C[C@@H](C(=O)O)Cl C379695
C[C@@H](C(=O)O)Cl C379700
CC(C)NC(=N)NC(=N)Nc1ccc(c(c1)Cl)Cl C379705
C(C(CCl)O)O C379710
[2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)O C379712
[13CH2]([13CH]([13CH2]Cl)O)O C379713
CC(=O)c1ccc(c(c1)OC)OCCCCl C379715
[2H]C([2H])([2H])Oc1cc(ccc1OCCCCl)C(=O)C C379717
c1ccc(cc1)c2c3cc(ccc3nc(n2)C=O)Cl C379720
c1cc2c(cc1Cl)[nH]c(=O)n2C3CCNCC3 C379725
c1ccc2c(c1)CCc3ccccc3N2CCCCl C379730
c1ccc2c(c1)CCc3cc(ccc3N2CCCCl)C=O C379735
c1ccc2c(c1)CCc3cc(ccc3N2CCCCl)O C379740
CN1CCN(CC1)CCCCl C379745
C1COCCN1CCCCl C379750
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@@H](C4=CC(=O)C=C[C@]34C)Cl C379755
C/N=C(/c1ccccc1Cl)\C2(CCCC2)O.Cl C379760
Cc1c(con1)CCCCl C379765
c1ccc(cc1)C(=O)CCCl C379770
C1CN(CCN1CCCCl)CCO C379775
[2H]c1c(c(c(c(c1[2H])C23CCCCC2O3)Cl)[2H])[2H] C379782
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)S(=O)(=O)c4ccccc4 C379790
CCOC(CCCl)OCC C379795
Cn1c(cc(=O)n(c1=O)C)NCCCCl C379800
C/C=C/c1ccccc1Cl C379820
c1cc(ccc1C#N)Nc2nccc(n2)Cl C379835
c1nc(c2[13c](n1)[nH][13cH][15n]2)Cl C379852
c1[nH]c2c(n1)c(ncn2)Cl.Cl C379855
c1cc(ccc1[N+](=O)[O-])S(=O)(=O)c2ccc(cc2)Cl C379865
c1cc2ccc(c(c2nc1)O)Cl C379870
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3ncnc4Cl)C C379885
c1c(c(n[nH]1)C=O)Cl C379890
c1c[nH]c2c1cnc(n2)Cl C379895
c1nc2c(c(n1)Cl)ncn2[C@H]3C([C@H]([C@H](O3)CO)O)O C379900
COC(=O)c1c(nccn1)Cl C379905
c1cc2cc(cc(c2nc1)C(=O)O)Cl C379910
c1c2c([nH]n1)ncnc2Cl C379915
c1cnc(cc1Cl)C(=O)Cl.Cl C379920
c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)O C379925
Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)CCl C379930
Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)CCl.Cl C379935
Cc1cc(ccc1Oc2ccc(cc2[N+](=O)[O-])OC)Cl C379940
c1ccc2c(c1)CC[C@H](OC2=O)c3cccc(c3)/C=C/c4ccc5ccc(cc5n4)Cl C379945
CNC(=O)c1cc(ccn1)Cl C379950
[2H]C([2H])([2H])NC(=O)c1cc(ccn1)Cl C379952
CNC(=O)c1cc(ccn1)Cl.Cl C379955
C1COCCN1c2c(nsn2)Cl C379960
CCN(CC)CCCC(C)Nc1ccnc2c1ccc(c2)Cl C379965
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N(CC)CC C379967
CC(COCOC)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)O C379970
CC(=O)c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C379975
c1cc2c(cccn2)c(c1)Cl C379980
c1cc2c(ccnc2c(c1)O)Cl C379985
COC(=O)c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C379990
COC(=O)c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C379991
CC(C)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)O C379995
CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)O C379996
[2H]C([2H])([2H])C(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O)(C([2H])([2H])[2H])O C379997
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2 C380000
c1c2c(cc(c1Cl)S(=O)(=O)[15NH2])S(=O)(=O)[15N]=[13CH]N2 C380002
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)n(n1)C C380005
COC(=O)c1ccccc1CCC(=O)c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl C380010
c1cc2c(cc1S(=O)(=O)Cl)C(=O)C(=O)N2 C380015
CCC(=O)c1ccc(c(c1)S(=O)(=O)Cl)OC C380020
[2H]C([2H])([2H])CC(=O)c1ccc(c(c1)S(=O)(=O)Cl)OC C380022
c1c(c(cc(c1S(=O)(=O)N)Cl)O)C(=O)O C380025
c1cc2ccc(c(c2nc1)C(=O)O)Cl C380030
CC(C)(c1ccccc1CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)Cl)O C380035
c1c[nH]c2c1ncnc2Cl C380040
CCOC(=O)c1cc(ccc1O)Cl C380045
c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)S(=O)(=O)Cl C380050
CCCN1CCN(CC1)c2cccc(c2)Cl C380100
c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCCl C380310
c1c(nc(cn1)Cl)N C380350
c1c[nH]c2c1ncc(n2)Cl C380400
c1cc2c(ncnn2c1)Cl C380410
c1cc2c([nH]nc2Cl)nc1 C380425
c1cc(nnc1C(=O)O)Cl C380550
c1ccnc(c1)Cl C380605
[2H]c1c(c(nc(c1[2H])Cl)[2H])[2H] C380607
CC(CCCO)Nc1ccnc2c1ccc(c2)Cl C381370
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])O C381372
c1cc(cc(c1)C=O)/C=C/c2ccc3ccc(cc3n2)Cl C381390
COC(=O)CCSC(c1cccc(c1)/C=C/c2ccc3ccc(cc3n2)Cl)SCCC(=O)OC C381395
COc1ccc(c(c1)C(=O)OC)CC[C@@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)O C381410
[13cH]1[13cH][13c]([13c]([13cH][13c]1O)O)Cl C381502
c1cc(c(c(c1)Cl)O)C=O C381900
c1cc(c(c(c1)Cl)O)C(=O)O C382000
c1cc(c(cc1Cl)O)C(=O)O C382005
c1cc(c(cc1C(=O)O)S(=O)(=O)N)Cl C382700
c1cc(ccc1/C=C/C(=O)O)S(=O)(=O)Cl C383200
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)[nH]n1 C383500
c1cc(c2c(c1F)non2)S(=O)(=O)Cl C383750
Cc1cncc2c1c(ccc2)S(=O)(=O)Cl C383875
c1cc(ccc1CC(=O)O)S(=O)(=O)Cl C384050
Cc1[nH]c-2c(n1)CCN(c3c2cccc3)C(=O)c4ccc(cc4)NC(=O)c5ccccc5c6ccccc6.Cl C384700
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C C385000
c1ccc(cc1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)Cl)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 C386000
CN(C)C(=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F C400030
CC(=C)C(=O)OC1CC(N(C(C1)(C)C)Cl)(C)C C410500
C(#N)c1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl C411250
Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)Cl C411440
[2H]C([2H])([2H])n1c2c(c(=O)n(c1=O)C([2H])([2H])[2H])[nH]c(n2)Cl C411442
c1csc2c1c(ncn2)Cl C411500
c1cc(sc1C(=O)NCC(=O)O)Cl C411800
c1cc(sc1CC2CNC2)Cl C411900
c1cc(sc1C(=O)O)Cl C420500
Cc1ccc(cc1Cl)NC(=O)N(C)C C421600
[2H]C([2H])([2H])N(C(=O)Nc1ccc(c(c1)Cl)C)C([2H])([2H])[2H] C421602
c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(cc4)Cl C421650
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4C2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)Cl)O C421680
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)Cl)O)C)OC(O2)(C)C C421685
c1cc(ccc1C(=O)OC[C@@H]2C([C@@H]([C@@H](O2)Cl)OC(=O)c3ccc(cc3)Cl)OC(=O)c4ccc(cc4)Cl)Cl C421730
CC[Si](CC)(CC)Cl C421750
c1c(sc(n1)S(=O)CCC(=C(F)F)F)Cl C421760
[2H]C([2H])([2H])n1c2cc(cnc2nc1Cl)c3ccccc3 C421835
CCN(CC)CCCl.Cl C421850
c1cc(c(cc1Cl)C(=O)C(F)(F)F)N C421880
CC(C)(C)[Si](C)(C)Oc1cc(cc(c1N)C(=O)C(F)(F)F)Cl C421884
COc1cc(cc(c1N)C(=O)C(F)(F)F)Cl C421888
CC(C)(C)C(=O)Nc1c(cc(cc1OC)Cl)C(=O)C(F)(F)F C421895
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Nc2ccc(c(c2)C(F)(F)F)Cl)OC(=O)C)OC(=O)C)OC(=O)C C421935
c1cc(c(cc1C(F)(F)F)Cl)C#N C421945
c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Nc3ccc(c(c3)C(F)(F)F)Cl)O)O)O C421950
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Nc2ccc(c(c2)C(F)(F)F)Cl)C(=O)OCc3ccccc3)OC(=O)C C421955
c1ccc2c(c1)c(=O)n(c(n2)CNC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl)c4ccc(cc4)F C421960
c1cnc(nc1C(F)(F)F)Cl C421975
CC1([C@H]([C@@H]1C(=O)O)/C=C(/C(F)(F)F)\Cl)C C422000
CC(C)[Si](C(C)C)(C(C)C)Oc1cc(ccc1Cl)NC(=O)C(C)(C)C C422100
Cc1cc2c(nc1C)nc(n2C)Cl C422210
C[Si](C)(C)CCOCn1c2ccccc2nc1Cl C422240
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)Cl C422260
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC(CCl)O C422280
c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N C423200
c1cc2c(cc1Cl)[nH]cc2CC(C(=O)O)N C423205
c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)O)N C423210
c1c(c(=O)[nH]c(=O)[nH]1)Cl C423775
c1c(c(=O)[15nH][13c](=O)[15nH]1)Cl C423777
c1c(=O)[nH]c(=O)[nH]c1Cl C423780
c1c(c(=O)[nH]c(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)Cl C424100
CC(c1c(c(ncn1)Cl)F)C(Cn2cncn2)(c3ccc(cc3F)F)O C424200
c1cc(ccc1OCC(CO)O)Cl C424250
CN(C)CCC(c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C424300
[2H]C([2H])([2H])N(CCC(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H] C424302
[2H]C([2H])([2H])[NH+](CCC(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)[O-])\C(=O)O C424303
CN(C)CC[C@@H](c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C424305
CN(C)CC[C@H](c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O C424306
[2H]C([2H])([2H])C(CC[C@@H](c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O C424307
[2H]C([2H])([2H])N(CC[C@@H](c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H].C(=C\C(=O)O)\C(=O)O C424308
C[N+](C)(CCC(c1ccc(cc1)Cl)c2ccccn2)[O-] C424310
[2H]C([2H])([2H])[N+](CCC(c1ccc(cc1)Cl)c2ccccn2)(C([2H])([2H])[2H])[O-] C424312
CN(C)CCC(C#N)(c1ccc(cc1)Cl)c2ccccn2 C424315
[2H]C([2H])([2H])N(CCC(C#N)(c1ccc(cc1)Cl)c2ccccn2)C([2H])([2H])[2H] C424317
CCN(CC)CCCN1c2ccccc2Sc3c1cc(cc3)Cl C424700
[2H]C([2H])([2H])C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])C([2H])([2H])[2H].Cl C424702
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl.Cl C424750
[2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424752
[2H][13C]([2H])([2H])N(C)CCCN1c2ccccc2Sc3c1cc(cc3)Cl.Cl C424753
CCCNC(=O)NS(=O)(=O)c1ccc(cc1)Cl C424800
[2H]c1c(c(c(c(c1S(=O)(=O)NC(=O)NCCC)[2H])[2H])Cl)[2H] C424802
[2H]C([2H])([2H])N(CC/C=C\1/c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424850
[2H]C([2H])([2H])N(CC/C=C\1/c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424852
[2H]C([2H])([2H])N(CC/C=C/1\c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424853
[2H]C([2H])([2H])N(CC/C=C/1\c2ccccc2Sc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C424857
CN(C)CC/C=C\1/c2ccccc2S(=O)(=O)c3c1cc(cc3)Cl.C(=O)(C(=O)O)O C424860
CN(C)CC/C=C\1/c2ccccc2S(=O)c3c1cc(cc3)Cl.C(=O)(C(=O)O)O C424865
CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl C425300
CCOP(=O)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl C425320
[2H]C([2H])([2H])C([2H])([2H])OP(=O)(Oc1c(cc(c(n1)Cl)Cl)Cl)OC([2H])([2H])C([2H])([2H])[2H] C425322
C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](CC31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O.Cl C426500
C[C@]1(c2c(ccc(c2C(=O)C3=C([C@]4([C@@H](CC31)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)Cl)O.Cl C426501
c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O C427500
[2H]c1c(c(c2c(c1[2H])C(=O)NC2(c3ccc(c(c3)S(=O)(=O)N)Cl)O)[2H])[2H] C427502
c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)Cl)Cl)O C427520
C1CC(=O)C1Cl C427580
c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)Cl)NC4CCCC4 C427650
[2H]C1(CC(CC1([2H])[2H])Nc2c3c(nc(n2)Cl)n(cn3)[C@H]4C([C@H]([C@H](O4)CO)O)O)[2H] C427652
COc1ccc(cc1)/C=C\2/C(=O)N=C(S2)c3ccc(cc3)Cl C427750
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)Cl)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C C427900
[2H]C([2H])([2H])c1cc(cc(c1Cl)C([2H])([2H])[2H])O C427950
c1ccc2c(c1)ccc3c2ccc4c3cccc4 C427952
[2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c(c4c3c(c(c(c4[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] C428000
CCOCn1c(c(c(c1C(F)(F)F)Br)C#N)c2ccc(cc2)Cl C428002
c1cc2c(cc1Cl)nc(o2)O C428500
[2H]c1c(c(c(c2c1oc(n2)O)[2H])Cl)[2H] C428700
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C[C@H](CC[C@]34C)O)C C428702
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC=C4)C)C)C([2H])([2H])[2H] C431502
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4)C)C C431700
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C(C1)([2H])[2H])CC[C@@H]4[C@H](C)CCCC(C)C)C)C)[2H] C431702
C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)O)C C431800
C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)C C432200
C[C@H](C[13CH2][13CH2][13CH]([13CH3])[13CH3])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C C432492
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)[18OH])C)C C432493
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C.[Na+] C432500
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C C432505
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C432600
[2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])C[C@H](C3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C)([2H])[2H])O C432602
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C C432605
[2H][C@@]1(C(C[C@]2([C@@H](C1([2H])[2H])C[C@H](C3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C)([2H])[2H])O C432607
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C C432610
C[N+](C)(C)CCO.[Cl-] C432650
[2H]C([2H])([2H])[N+](CCO)(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl-] C432652
CC(C)(C(=O)[O-])Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl.C[N+](C)(C)CCO C432665
c1ccc(c(c1)[C@@H](C(=O)O)O)Cl C432670
Cc1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O C432675
COc1ccc(cc1)C2(C(=C(C(=O)O2)c3ccc4c(c3)OCO4)Cc5cc(c(c(c5)OC)OC)OC)O C432680
[2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])CC2=C(C(=O)OC2(c3ccc(cc3)OC)O)c4ccc5c(c4)OCO5 C432682
CCN(CC)CCc1c(c2ccc(cc2oc1=O)OCC(=O)OCC)C C432685
[2H]C([2H])([2H])C([2H])([2H])N(CCc1c(c2ccc(cc2oc1=O)OCC(=O)OCC)C)C([2H])([2H])C([2H])([2H])[2H].Cl C432687
CC(C)C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6 C432690
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C2O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@H]5[C@H](C[C@@]4([C@@]3(O2)C(=O)COC(=O)C(C)C)C)O)C)([2H])[2H])([2H])[2H])[2H] C432692
[2H]C([2H])([2H])C([2H])(C(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O[C@H](O2)C6CCCCC6)C([2H])([2H])[2H] C432693
C[C@@](Cc1c[nH]c2c1cccc2)(C(=O)NC[C@@H](c3ccccc3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6 C432695
Cc1c(c2c(cn1)C(OC2)c3ccc(cc3)Cl)O.Cl C432700
[2H]c1c(c(c(c(c1C2c3cnc(c(c3CO2)O)C)[2H])[2H])Cl)[2H].Cl C432702
Cc1cc(cc(c1)C(=O)N(C(C)(C)C)NC(=O)c2ccc3c(c2C)CCCO3)C C432710
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N(C(=O)c1cc(cc(c1)C)C)NC(=O)c2ccc3c(c2C)CCCO3 C432712
c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)O)O C432730
CCC#CC[C@H](C)[C@@H](C#C[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/COCC(=O)O)/C2)O)O C432750
Cc1cc(n(c(=O)c1)O)C2CCCCC2 C432800
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)n2O)C)([2H])[2H])([2H])[2H])[2H] C432802
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)n2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C)([2H])[2H])([2H])[2H])[2H] C432812
COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O C432820
[2H]C([2H])([2H])Oc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)O)O C432822
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C#N)F)O)C)OC(O2)(C)C C432950
c1cn(c(=O)nc1N)C[C@@H](CO)OCP(=O)(O)O C433500
CC1(CCCCC1)COc2ccc(cc2)CC3C(=O)NC(=O)S3 C441000
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O C441200
c1ccc(cc1)CC[C@@H](C(=O)O)N[C@H]2CCCN3CCC[C@H](N3C2=O)C(=O)O C441210
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(C)OC(=O)OC6CCCCC6)C(=O)OCC C441280
CC1=C(C(C(=C(N1)C)C(=O)OC/C=C/c2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OCCOC C441375
COc1c(cc(cc1)[C@]2(CC[C@@H](CC2)C(=O)O)C#N)OC3CCCC3 C441430
[2H]C1(C(C(C(C1([2H])[2H])([2H])[2H])(Oc2c(ccc(c2)[C@]3(CC[C@@H](CC3)C(=O)O)C#N)OC)[2H])([2H])[2H])[2H] C441432
c1cc2c(cc1OCCCCc3nnnn3C4CCCCC4)CCC(=O)N2 C441500
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])n2c(nnn2)CCCCOc3ccc4c(c3)CCC(=O)N4)([2H])[2H])([2H])[2H])[2H] C441502
CC(C)NCC(c1ccc(c(c1)C#N)N)O C441600
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)C#N)N)O C441602
CC(C)(C)NCC(c1ccc(c(c1)C#N)N)O C441620
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1ccc(c(c1)C#N)N)O C441622
Cc1c(nc[nH]1)CSCCN/C(=N/C#N)/NC C441650
[2H]C([2H])([2H])N/C(=N\C#N)/NCCSCc1c([nH]cn1)C C441652
Cc1c(nc[nH]1)CSCC/N=C(\NC)/NC(=O)N C441660
C[C@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F.Cl C441800
[2H]C([2H])([2H])C(c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F.Cl C441802
C[C@@H](c1cccc2c1cccc2)NCCCc3cccc(c3)C(F)(F)F.Cl C441805
C[C@H](c1cccc2c1cccc2)N(CCCc3cccc(c3)C(F)(F)F)[O-] C441810
CCC(CC)(CC(=O)Nc1cccc(c1)/C=C/c2nc(cs2)C3CCC3)C(=O)O C441900
C=C[C@H]1CN2CCC1C[C@H]2[C@@H](c3ccnc4c3cccc4)O C441925
C=C[C@H]1CN2CCC1C[C@H]2[C@H](c3ccnc4c3cccc4)O C441930
C=C[C@H]1CN2CCC1C[C@@H]2[C@H](c3ccnc4c3cccc4)O C441935
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](c3ccnc4c3cccc4)O C441940
[2H]C1(CC2(CCC1(OC2(C)C)C)[2H])[2H] C441952
C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)C C441980
C/C=C\CC1=C([C@H](CC1=O)OC(=O)[C@@H]2[C@H](C2(C)C)/C=C(\C)/C(=O)OC)C C441985
CCOc1cc(c(cc1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N C441990
c1cc(c2c(c1)oc-3cc(=O)c(c(c3n2)C(=O)O)N)C(=O)O C442000
c1ccc(cc1)/C=C/C#N C442010
COc1cccc(c1)NC(=O)/C=C/c2ccccc2 C442060
COc1ccc(cc1)NC(=O)/C=C/c2ccccc2 C442065
c1ccc(cc1)/C=C/CNCCNS(=O)(=O)c2cccc3c2ccnc3 C442100
c1ccc(cc1)/C=C\CN2CCN(CC2)C(c3ccccc3)c4ccccc4 C465290
[2H]C1(C(N(C(C(N1C/C=C\c2ccccc2)([2H])[2H])([2H])[2H])C(c3ccccc3)c4ccccc4)([2H])[2H])[2H] C465292
c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccccc3)c4ccccc4 C465300
Cc1ccccc1CO[C@@H]2C[C@]3(CC[C@]2(O3)C)C(C)C C475400
[2H]C([2H])([2H])c1ccccc1C([2H])([2H])O[C@@H]2C[C@]3(CC[C@]2(O3)C)C(C)C C475402
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)COC(=O)C5CC5)C[C@@H](C6=CC(=O)C=C[C@@]63C)F)F)O C482450
CC(C)(C(=O)O)Oc1ccc(cc1)C2CC2(Cl)Cl C482475
c1c2c(cc(c1F)N3CCNCC3)n(cc(c2=O)C(=O)O)C4CC4 C482500
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O)([2H])[2H])[2H] C482501
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O)([2H])[2H])[2H].Cl C482502
c1c2c(cc(c1F)N3CCNCC3)n(cc(c2=O)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C5CC5 C482510
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)([2H])[2H])[2H] C482512
c1c2c(cc(c1F)[N+]3(CCNCC3)[O-])n(cc(c2=O)C(=O)O)C4CC4 C482520
c1c2c(cc(c1F)N3CCN(CC3)S(=O)(=O)O)n(cc(c2=O)C(=O)O)C4CC4 C482525
COc1cc(c(cc1C(=O)N[C@@H]2CCN(C[C@H]2OC)CCCOc3ccc(cc3)F)Cl)N C496400
[2H][13C]([2H])([2H])Oc1cc(c(cc1C(=O)N[C@@H]2CCN(C[C@H]2OC)CCCOc3ccc(cc3)F)Cl)N C496402
COc1cc(c(cc1C(=O)N[C@@H]2CC[N+](C[C@H]2OC)(CCCOc3ccc(cc3)F)[O-])Cl)N C496410
C[N+]1(CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCc5cc(c(cc5[C@H]4Cc6ccc(c(c6)OC)OC)OC)OC)C.c1ccc(cc1)S(=O)(=O)[O-] C496700
CC1(O[C@H](C[C@H](O1)CC(=O)OC(C)(C)C)CCN)C C497249
CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CCN)C C497250
CC1(O[C@@H](C[C@H](O1)CC(=O)OC(C)(C)C)CCN)C C497251
C1C[C@@H]([C@H](C1)N)C(=O)O.Cl C497500
[NH4+].[NH4+].Cl[Pt-2]Cl C499500
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)OC)/C)/C C499700
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C\C(=O)OC)/C)/C)(C)C)[2H] C499702
CN(C)CCCC1(c2ccc(cc2CO1)C=O)c3ccc(cc3)F C504985
CN(C)CCCC(=O)c1ccc2c(c1)COC2(CCCN(C)C)c3ccc(cc3)F.Br C504990
CN(C)CCCC1(c2ccc(cc2CO1)C#[N+][O-])c3ccc(cc3)F C504995
CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Br C505000
[2H]C([2H])([2H])N(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H] C505002
[2H]C([2H])([2H])N(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H].C(=O)(C(=O)O)O C505003
CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.C(=O)(C(=O)O)O C505010
[2H]C([2H])([2H])N(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H].C(=O)(C(=O)O)O C505012
CN(C)CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.C(=O)(C(=O)O)O C505015
[2H]C([2H])([2H])N(CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])[2H].C(=O)(C(=O)O)O C505017
CN(C)CCC[C@@]1(c2ccc(cc2CO1)C(=O)c3ccc(cc3)F)c4ccc(cc4)F.C(=O)(C(=O)O)O C505020
C[N+](C)(CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)[O-] C505025
[2H]C([2H])([2H])[N+](CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)(C([2H])([2H])[2H])[O-] C505027
C[N+](C)(CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)[O-] C505035
[2H]C([2H])([2H])[N+](CCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)(C([2H])([2H])[2H])[O-] C505037
C[N+](C)(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)[O-] C505045
[2H]C([2H])([2H])[N+](CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)(C([2H])([2H])[2H])[O-] C505047
C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O.[Na+] C508050
C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O.[Na+] C508052
[2H]C([2H])(C(=O)O)C(C(=O)O)(C([2H])([2H])C(=O)O)O C521002
CCOC(=O)CC(CC(=O)O)(C(=O)OCC)O C521020
C[N+](C)(C)CCOC(=O)CC(CC(=O)OCC[N+](C)(C)C)(C(=O)NCCSS(=O)(=O)C)O.[Cl-].[Cl-] C521050
C[C@@H]1[C@H](OC=C2C1=C(C(=O)C(=C2O)C(=O)O)C)C C523500
[2H]C([2H])C1=C2[C@@H]([C@H](OC=C2C(=C(C1=O)[13C](=O)O)O)C)C C523502
C1[C@H]2N(C1=O)C[C@H](O2)C(=O)[O-].[Na+] C563700
C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)[O-].[K+] C563750
C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)N3[C@H](O/C(=C\CO)/[C@@H]3C(=O)O)CC(=O)O C563760
CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3.Cl C587035
[2H]c1c(c(c(c(c1[2H])[2H])/C(=C(/c2ccccc2)\c3ccc(cc3)OCCN(CC)CC)/Cl)[2H])[2H].Cl C587037
CC[N+](CC)(CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3)[O-] C587040
[2H]c1c(c(c(c(c1[2H])[2H])/C(=C(/c2ccccc2)\c3ccc(cc3)OCC[N+](CC)(CC)[O-])/Cl)[2H])[2H] C587042
C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2.C(C[C@@H](C(=O)O)N)CNC(=N)N C587050
[2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1cc(cc3)Cl)C([2H])([2H])[2H].Cl C587052
C[C@@](c1ccccc1)(c2ccc(cc2)Cl)OCC[C@H]3CCCN3C.C(=C/C(=O)O)\C(=O)O C563770
[2H]c1c(c(c(c(c1[2H])[2H])[C@](C)(c2ccc(cc2)Cl)OCC[C@H]3CCCN3C)[2H])[2H].C(=C/C(=O)O)\C(=O)O C563772
CC(C)(C)NC[C@@H](c1cc(c(c(c1)Cl)N)Cl)O C568500
CC(C)(C)NC[C@H](c1cc(c(c(c1)Cl)N)Cl)O C568502
CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C569990
CC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O C569995
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)Cl)O C569998
[2H]C1(C(C(C(C(C1([2H])NCC(c2cc(c(c(c2)Cl)N)Cl)O)([2H])[2H])([2H])[2H])([2H])O)([2H])[2H])[2H] C570000
CCCC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572500
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572502
CC(C)CCNCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572600
[2H]C([2H])([2H])C([2H])(CCNCC(c1cc(c(c(c1)Cl)N)Cl)O)C([2H])([2H])[2H].Cl C572602
CCC(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572800
[2H]C([2H])([2H])C([2H])([2H])C(C)(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O.Cl C572802
CC(C)NCC(c1cc(c(c(c1)Cl)N)Cl)O C573000
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)Cl)O C573002
CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC(C)SCC)O C573250
CC/C(=N\OC/C=C\Cl)/C1=C(CC(CC1=O)CC(C)SCC)O C573255
CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC(C)S(=O)CC)O C573270
CC(CCCNCCO)Nc1ccnc2c1ccc(c2)Cl.C(=O)(C(=O)O)O C573500
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])NCCO.C(=O)(C(=O)O)O C573502
CCCC(=O)OCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C C573700
[2H]C([2H])([2H])C([2H])([2H])CC(=O)OCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C C573702
Cc1cn(c(=O)[nH]c1=O)[C@H]2[C@@H](C([C@H](O2)CO)O)F C574150
C[N+]12CCC(CC1)C(C2)OC(=O)C(c3ccccc3)(c4ccccc4)O.[Br-] C576250
CCCCCC/C=C\Cc1cc(cc(c1)O)O C577500
CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl C578500
[2H]c1c(c(c(c(c1OC(C(=O)C(C)(C)C)n2ccnc2)[2H])[2H])Cl)[2H] C578502
c1c2c(c(c(c1F)N3CCC(C3)N)Cl)n(cc(c2=O)C(=O)O)C4CC4 C579000
CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl.Cl C580000
[2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl)CCC.Cl C580002
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@@H](C)Cl C580005
CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)S(=O)C)O)O)O)C(C)Cl.Cl C580010
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)OP(=O)(O)O)O)[C@@H](C)Cl C580015
CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)OP(=O)(O)O)[C@@H](C)Cl C580020
CCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl C580040
[2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)Cl)CC C580042
CC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@@H](C)Cl C580050
[2H]C([2H])([2H])N1C[C@@H](C[C@H]1C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@@H](C)Cl)CC C580052
CN1c2ccc(cc2N(C(=O)CC1=O)c3ccccc3)Cl C582500
[2H]c1c(c(c(c(c1[2H])[2H])N2c3cc(ccc3N(C(=O)CC2=O)C)Cl)[2H])[2H] C582502
C[C@H](Cc1ccccc1)NCc2ccccc2Cl.Cl C582985
C[C@@H](Cc1ccccc1)NCc2ccccc2Cl.Cl C582990
[2H]C([2H])([2H])[C@H](Cc1ccccc1)NCc2ccccc2Cl.Cl C582992
CC(Cc1ccccc1)NCc2ccccc2Cl.Cl C583000
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1)NCc2ccccc2Cl.Cl C583002
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C C583490
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@@H]([C@@]4(C(=O)C([2H])([2H])Cl)O)C)C)O)F)C C583492
CCCC(=O)OC1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl C583550
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)C)C)C(=O)CCl C583552
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)Cl)C)F C583800
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F C583810
C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F C584500
C[C@H](C(=O)OCC#C)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)F C584515
c1cc(c(cc1S(=O)(=O)N)S(=O)(=O)N)Cl C585600
[2H]c1c(c(c(c(c1S(=O)(=O)N)[2H])S(=O)(=O)N)Cl)[2H] C585602
C.C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.[Na+].[Na+] C586875
c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)F)Cl)N C586890
c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)Cl)N C586900
CCOC(=O)C(C)(C)Oc1ccc(cc1)Cl C586910
[2H]c1c(c(c(c(c1OC(C)(C)C(=O)OCC)[2H])[2H])Cl)[2H] C586912
CN(C)CCC(c1ccccc1)(c2ccccc2Cl)O.Cl C586920
[2H]c1c(c(c(c(c1[2H])[2H])C(CCN(C)C)(c2ccccc2Cl)O)[2H])[2H].Cl C586922
CN(C)CCC(c1ccccc1)(c2ccccc2Cl)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C586925
CC(C)(C(=O)O)Oc1ccc(cc1)Cl C586930
[2H]c1c(c(c(c(c1OC(C)(C)C(=O)O)[2H])[2H])Cl)[2H] C586932
CC(C)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)Oc2ccc(cc2)Cl C586940
[2H]c1c(c(c(c(c1OC(C)(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H])Cl)[2H] C586942
CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O C587025
[2H]c1c(c(c(c(c1[2H])[2H])/C(=C(/c2ccccc2)\c3ccc(cc3)OCCN(CC)CC)/Cl)[2H])[2H].C(C(=O)O)C(CC(=O)O)(C(=O)O)O C587027
CCN(CC)CCOc1ccc(cc1)/C(=C(/c2ccccc2)\Cl)/c3ccccc3.Cl C587030
[2H]c1c(c(c(c(c1[2H])[2H])/C(=C(\c2ccccc2)/c3ccc(cc3)OCCN(CC)CC)/Cl)[2H])[2H].Cl C587032
C[N+](C)(CCCN1c2ccccc2CCc3c1cc(cc3)Cl)[O-] C587060
[2H]C([2H])([2H])[N+](CCCN1c2ccccc2CCc3c1cc(cc3)Cl)(C([2H])([2H])[2H])[O-] C587062
c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])Cl C587080
[2H]c1c(c(c(c(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)[N+](=O)[O-])Cl)[2H])[2H] C587082
c1cc(c(c(c1)Cl)NC2=NCCN2)Cl.Cl C587130
[2H]C1(C(N=C(N1)Nc2c(cccc2Cl)Cl)([2H])[2H])[2H].Cl C587132
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)[O-])O)O)O)OC.[Na+] C634090
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)[O-])O)O)O)OC.[Na+] C634092
C[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC)[O-] C634095
[2H]C([2H])([2H])[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC)[O-] C634097
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@H]2C=C[C@H]3[C@@H]4Cc5ccc(c6c5[C@]3([C@H]2O6)CCN4C)OC)C(=O)OC)OC(=O)C C634120
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC C634122
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=C[C@H]3[C@H]1C5)OC C635000
c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccc(cc4)O)Cc5ccc(cc5)O C636000
CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@@H](C([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)[O-])[C@H](C(=O)NCCC(=O)NCCS)O C636400
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636480
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636490
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636500
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C C636501
[2H]C([2H])([2H])OC1=C(C(=O)C(=C(C1=O)C)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)OC([2H])([2H])[2H] C636502
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)O)OC)OC)OC C638500
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)O)OC)OC)OC C638502
CC(=O)NC1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C639995
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C640000
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C640001
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC C640002
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC([2H])([2H])[2H])OC)OC)OC C640003
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(c(=O)cc3)OC)OC)OC)OC C640006
C[C@@H]1CCC[C@@H](N1NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C C587160
[2H]C([2H])([2H])[C@H]1CCC[C@H](N1NC(=O)c2ccc(c(c2)S(=O)(=O)N)Cl)C([2H])([2H])[2H] C587162
c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)Cl.C(CC(=O)O)C(=O)O C587190
[2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CC/C=C/2\c3ccccc3Sc4c2cc(cc4)Cl.CC1([C@H]2CC[C@@]1(C(=O)C2)CS(=O)(=O)O)C C587192
CC(C)(C)C(=O)OCOC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2 C587200
[2H]c1c(c(c(c(c1[2H])C(C(=O)N)N2CCc3c(ccs3)C2)Cl)[2H])[2H] C587227
c1ccc(c(c1)[C@@H](C(=O)O)N2CCc3c(ccs3)C2)Cl C587230
c1ccc(c(c1)[C@@H](C(=O)O)N2CCc3c(ccs3)C2)Cl C587240
[2H]c1c(c(c(c(c1[2H])C(C(=O)O)N2CCc3c(ccs3)C2)Cl)[2H])[2H] C587242
c1ccc(c(c1)C(C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)N3CCc4c(ccs4)C3)Cl C587245
COC(=O)[C@H](c1ccccc1Cl)N2CCc3c(ccs3)C2.OS(=O)(=O)O C587250
COC(=O)[C@@H](c1ccccc1Cl)N2CCc3c(ccs3)C2.OS(=O)(=O)O C587251
[2H]c1c(c(c(c(c1[2H])C(C(=O)OC)N2CCc3c(ccs3)C2)Cl)[2H])[2H].OS(=O)(=O)O C587252
[2H][13C]([2H])([2H])OC(=O)C(c1ccccc1Cl)N2CCc3c(ccs3)C2.OS(=O)(=O)O C587253
[2H]c1c(c(c(c(c1[2H])C(C(=O)OC([2H])([2H])[2H])N2CCc3c(ccs3)C2)Cl)[2H])[2H].OS(=O)(=O)O C587254
COc1cccc(c1)C(=O)CSC\2CCN(C/C2=C\C(=O)O)C(c3ccccc3Cl)C(=O)OC C587255
COc1cccc(c1)C(=O)CSC\2CCN(C/C2=C/C(=O)O)C(c3ccccc3Cl)C(=O)OC C587256
[2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC\2CCN(C/C2=C\C(=O)O)C(c3ccccc3Cl)C(=O)OC C587257
[2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC\2CCN(C/C2=C/C(=O)O)C(c3ccccc3Cl)C(=O)OC C587258
COC(=O)C(c1ccccc1Cl)N2CCc3ccsc3C2.Cl C587260
COC(=O)C(c1ccccc1Cl)N2CCC(/C(=C\C(=O)O)/C2)S C587270
CCOC(=O)/C=C/1\CN(CCC1SCC(=O)c2cccc(c2)OC)C(c3ccccc3Cl)C(=O)OC C587275
[2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC\2CCN(C/C2=C\C(=O)OCC)C(c3ccccc3Cl)C(=O)OC C587277
COc1cccc(c1)C(=O)CSC2=C(CN(CC2)C(c3ccccc3Cl)C(=O)OC)CC(=O)O C587280
[2H][13C]([2H])([2H])Oc1cccc(c1)C(=O)CSC2=C(CN(CC2)C(c3ccccc3Cl)C(=O)OC)CC(=O)O C587282
Cc1c(c(c(c(n1)C)Cl)O)Cl C587285
CN(CCc1cccs1)[C@@H](c2ccccc2Cl)C(=O)OC C587290
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=C(C4=CC(=O)C=C[C@]34C)Cl)O C587295
c1cc(cc(c1)Cl)OC[C@@H](/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)O)O)O)O C587300
c1cc(nc(c1Cl)C(=O)O)Cl C587350
c1c[13c]([15n][13c](c1Cl)C(=O)O)Cl C587352
c1ccc(cc1)C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)[O-].[OH-].[K+].[K+] C587365
[2H]c1c(c(c(c(c1[2H])[2H])C2=NC(C(=O)Nc3c2cc(cc3)Cl)C(=O)[O-])[2H])[2H].[OH-].[K+].[K+] C587367
c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl C587380
Cc1cc(c(cc1NC(=O)c2cc(cc(c2O)I)I)Cl)C(C#N)c3ccc(cc3)Cl.[NaH] C587390
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C C587395
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 C587400
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)(c3ccccc3Cl)n4ccnc4)[2H])[2H] C587402
c1ccc(cc1)C(c2ccccc2)(c3ccc(cc3)Cl)n4ccnc4 C587405
CCc1cc2c(s1)N(C(=O)CN=C2c3ccccc3Cl)C C587410
[2H][13C]([2H])([2H])N1c2c(cc(s2)CC)C(=NCC1=O)c3ccccc3Cl C587412
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)Cl C587430
COCCCC/C(=N\OCCN)/c1ccc(cc1)Cl.C(=C\C(=O)O)\C(=O)O C587450
[2H]C([2H])([2H])OCCCC/C(=N\OCCN)/c1ccc(cc1)Cl C587452
Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] C587460
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N[13C](=O)[13c]3c(no[13c]3[13CH3])c4ccccc4Cl)C(=O)[O-])C.[Na+] C587462
c1ccc(c(c1)C23c4cc(ccc4NC(=O)CN2CCO3)Cl)Cl C587475
[2H]C1(C(OC2(N1CC(=O)Nc3c2cc(cc3)Cl)c4ccccc4Cl)([2H])[2H])[2H] C587477
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl C587500
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C2=Nc3cc(ccc3Nc4c2cccc4)Cl)([2H])[2H])[2H] C587502
C[N+]1(CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl)[O-] C587520
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1(=O)[Co]2[Co]1C2=O C633100
CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c3ccccc3 C633400
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OCC C633402
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC.Cl C633500
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC C633502
[2H]C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)c3ccccc3 C633503
C[N@@+]1([C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC)[O-] C633510
[2H]C([2H])([2H])[N@@+]1([C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC)[O-] C633512
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC C634075
[HH].CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC.OOP(=O)=O C634080
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC C634082
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)O)OC([2H])([2H])[2H] C634083
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H]1C5)OS(=O)(=O)C)OC C634085
COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)NC(=O)CCSS(=O)(=O)C C640030
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O C640050
*.CN.CN.CN.CN.OS(=O)(=O)O C641500
C[C@@](O)(C1Oc2c(c3oc(=O)ccc3cc2)C1)C C642500
COc1ccc(cc1O)/C=C\c2cc(c(c(c2)OC)OC)OC C643000
COc1ccc(cc1OP(=O)([O-])[O-])/C=C\c2cc(c(c(c2)OC)OC)OC.[Na+].[Na+] C643025
c1c(=O)c(coc1C(=O)O)O C643500
C1=C[C@@H]([C@H]([C@H]([C@@H]1O)O)O)O C645000
C1=C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O C665000
[C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)O2)O)O)O C666000
CC(=O)O[C@H]1C=C[C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C C666500
C1=C[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)O C667000
COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/CO C684400
CCCCC/C=C/C=C/CCCCCCCCC(=O)O C685000
Cc1c2/cc/3\[15n]c(/cc\4/c(c(/c(/[15nH]4)c/c5[15n]/c(c\c(c1CCC(=O)O)[15nH]2)/C(=C5CCC(=O)O)C)C)CCC(=O)O)C(=C3CCC(=O)O)C C685402
CCCCCCC(C)(C)c1ccc(c(c1)O)[C@H]2CCC[C@H](C2)O C781310
[2H]C1(CC[C@@H](C(C1([2H])O)([2H])[2H])c2ccc(cc2O)C(C)(C)CCCCCC)[2H] C781312
CCCCCCC(C)(C)c1ccc(c(c1)OCc2ccccc2)[C@H]3CCC[C@H](C3)O C781315
c1cc(=O)[nH]c2c1[nH]cc2C3=CCNCC3 C781320
c1ccnc(c1)N2CCN(CC2)Cc3cc4cc(ccc4[nH]3)F C781330
COCCOc1cc2c(cc1OCCOC)ncnc2Cl C781340
C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N C781350
CC(C)c1ccc(cc1)CC(=O)N2CCC[C@H](C2)c3cccc(c3)OC(C)(C)C(=O)O C781351
CN(C)C(=O)[C@@H]([C@H](Cc1ccccc1)NC(=O)c2cc3cc(ccc3[nH]2)Cl)O C781355
CN(C)CCCNc1c2ccccc2nc(n1)/C=C/c3ccc(cc3)OC C781360
c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2.[Cl-] C685500
c1nc(c2c(n1)n(cn2)[C@H]3C(C[C@H](O3)CO)O)N C685800
c1nc(c2c(n1)n(cn2)[13C@H]3[13C@H]([13CH2][13C@H](O3)[13CH2]O)O)N C685802
COc1cc2c(cc1O)[C@@H]3Cc4cc(c(cc4CN3CC2)OC)O C687500
c1ccc(cc1)C(=O)O[C@@H]2C[C@H]3[C@@H]([C@H]2CO)CC(=O)O3 C694990
c1ccc(cc1)c2ccc(cc2)C(=O)O[C@@H]3C[C@H]4[C@@H]([C@H]3CO)CC(=O)O4 C695000
c1c(cc(c(c1O)O)O)C(=O)O[C@H]2C([C@@H]3[C@@H](C(O2)COC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)O)C(=O)O3)O)O)O)O)O C695400
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O C695700
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3[C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4([2H])C(=O)C([2H])([2H])O)C)O)C C695702
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C C695710
[2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO)O C696302
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)c5ccccc5)O)C)O C696310
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O C696315
[2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O C696317
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COS(=O)(=O)O)O)C)O C696320
[2H][C@]12[C@@H](CCC3=CC(=O)CC[C@@]31C)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)COS(=O)(=O)O)O C696322
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C C696500
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@@]3([C@@H](CC2([2H])[2H])[C@@H]4CC[C@@]([C@]4(C(C3=O)([2H])[2H])C)(C(=O)C([2H])([2H])O)O)[2H])C C696502
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O C696510
C[C@@H]1C[C@H]2[C@@H]3C=C(C4=Cc5c(cnn5c6ccccc6)C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)C C696700
[2H]c1c(c(c(c(c1[2H])[2H])n2c3c(cn2)C[C@@]4([C@H]5[C@H](C[C@]6([C@H]([C@@H]5C=C(C4=C3)C)C[C@H]([C@@]6(C(=O)COC(=O)C)O)C)C)O)C)[2H])[2H] C696702
CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(cc4)OC)O)O)OC C697500
C[N+]1(CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(cc4)OC)O)O)OC)C.[I-] C697520
C[N+]1=Cc2c(cc3c(c2OC)OCO3)CC1.[Cl-] C717500
C[N+]1=Cc2c(cc3c(c2OC)OCO3)CC1.[I-] C717520
CN1[C@H](CCC1=O)c2cccnc2 C724990
CN1[C@@H](CCC1=O)c2cccnc2 C725000
[2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2 C725002
CN1C(CCC1=O)c2cccnc2 C725004
[2H]C([2H])([2H])N1C(CCC1=O)c2cccnc2 C725005
[2H][13C]([2H])([2H])N1C(CCC1=O)c2cccnc2 C725007
CN1C(CCC1=O)c2ccccn2.O[ClH](=O)(=O)O C725010
CN1[C@@H](CCC1=O)c2cccnc2.OCl(=O)(=O)=O C725015
CN1C(CCC1=O)c2ccccn2 C725050
CN1[C@@H]([C@H](CC1=O)C(=O)N)c2cccnc2 C725100
CN1C(CCC1=O)c2cc(cnc2)C(=O)O C725140
CN1[C@H]([C@H](CC1=O)C(=O)O)c2cccnc2 C725150
CN1[C@H]([C@H](CC1=O)C(=O)OC)c2cccnc2 C725155
CN1[C@@H](CCC1=O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H](C=C(O3)C(=O)[O-])O)O C725160
CN1C(CCC1=O)c2ccc[n+](c2)[C@H]3C([C@H]([C@@H](C(O3)CO)O)O)O.[Cl-] C725165
CN1[C@@H](CCC1=O)c2ccc[n+](c2)[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O C725170
CN1[C@@H](CCC1=O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O C725175
[2H]C([2H])([2H])N1[C@@H](CCC1=O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O C725177
[2H]C([2H])([2H])N1[C@@H](CCC1=O)c2ccc[n+](c2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O C725180
CN1[C@@H](CCC1=O)c2ccc[n+](c2)[O-] C725200
[2H]C([2H])([2H])N1C(CCC1=O)c2ccc[n+](c2)[O-] C725203
CC(=O)CC(c1ccc(cc1)Cl)c2c(c3ccccc3oc2=O)O C745000
CCOP(=S)(OCC)Oc1ccc2c(c(c(=O)oc2c1)Cl)C C745300
c1ccc2c(c1)cnc(=O)o2 C755360
c1cc(ccc1/C=C/C(=O)O)O C755365
c1cc(ccc1/C=C/C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C755370
[2H]c1c(c(c(c(c1/C=C/C(=O)O)[2H])[2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H] C755372
c1cc(ccc1/C=C/C(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] C755375
[2H]c1c(c(c(c(c1/C=C/C(=O)O)[2H])[2H])OS(=O)(=O)O)[2H] C755377
c1ccc2c(c1)ccc(=O)o2 C755380
[2H]c1c(c(c2c(c1[2H])ccc(=O)o2)[2H])[2H] C755382
B1(OC(C(O1)(C)C)(C)C)c2ccc3ccc(=O)oc3c2 C755400
Cc1cc(=O)oc2c1ccc(c2)NC(=O)CCCCCCC(=O)NO C755500
c1cc(ccc1/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O)O C756300
c1cc(cc2c1ccc(=O)o2)OS(=O)(=O)C(F)(F)F C756450
c1ccc2c(c1)CCCC2c3c(c4ccccc4oc3=O)O C765600
c1cc2c(cc1O)oc3c2c(=O)oc4c3ccc(c4)O C781000
Cc1cc(ccc1n2c(nc3ccccc3c2=O)C)Br C781200
COc1ccccc1CN[C@@H]2[C@@H](N3CCC2CC3)C(c4ccccc4)c5ccccc5 C781210
CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(cc3)Br.Cl C781220
c1ccc(cc1)c2nnc3n2c4cc(ccc4nc3N)Cl C781230
COc1ccccc1CN[C@@H]2CCCN[C@@H]2c3ccccc3 C781240
COc1ccc(cc1OC)CCNc2nc3cc(c(cc3c(n2)N4CCc5cc(c(cc5C4)OC)OC)OC)OC.Cl C781250
CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)Nc4c(cccn4)[N+](=O)[O-] C781275
CN(c1ccc(c(c1)CN[C@H]2CCCN[C@H]2c3ccccc3)OC)S(=O)(=O)C C781290
CCCCN(CC)c1c2c(cn(c2nc(n1)C)c3c(cc(cc3C)C)C)C.Cl C781295
CC(C)(C(=O)NO)NS(=O)(=O)c1ccc(cc1)Oc2ccc(cc2)F C781305
c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3ccc4c(c3)CCN(C4)Cc5[nH]ncn5 C781370
CN(CCC(c1ccc(cc1)Cl)Oc2ccc(cc2)C(=O)c3nccs3)CC(=O)O C781380
CC(C)c1ccc(cc1)COC(=O)N2CCC[C@H](C2)c3cccc(c3)OC(C)(C)C(=O)O C781390
CCN\1c2ccc(cc2C(/C1=C\C=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCSS(=O)(=O)C)(C)C)S(=O)(=O)[O-].[K+] C960530
c1ccc2c(c1)c(c[nH]2)C(=O)CC#N C962220
COc1ccc2c(c1)c(c[nH]2)C(=O)CC#N C962250
Cn1cccc1C(=O)CC#N C962255
c1cc([nH]c1)C(=O)CC#N C962265
c1ccc(c(c1)C=O)C#N C962270
c1ccc(c(c1)CN)C#N C962275
c1cc(cc(c1)S(=O)(=O)Cl)C#N C962280
c1cc(ccc1CN)C#N C962285
c1cc(ccc1CNC(=O)[C@@H]2CCN2)C#N C962290
c1cc(cc(c1)C#N)CN C962295
[C-]#[N+]c1ccc(cc1)CBr C962300
c1cc(ccc1C#N)C(=O)O C962325
CCC[C@@H](C(=O)OC)NCc1ccc(cc1)c2ccccc2C#N C962340
CC1([C@@H]([C@H](c2cc(ccc2O1)C#N)O)Br)C C962350
c1cc(cc(c1)Cl)CCc2cccnc2C#N C962450
c1cc(cc(c1)Cl)CCc2cnccc2C#N C962455
c1cc(c(nc1)C#N)Cl C962500
c1cc(ncc1Cl)C#N C962510
c1cc(ccc1C#N)c2cc3ccc(cc3[nH]2)C#N C962560
CC(C)(C)OC(=O)NC(CC1CCC1)C(C#N)O C962580
CCOC(=O)C(=C1CCCCC1)C#N C962600
C1CCC(C1)C#N C962650
CCOC(=O)c1ccc(cc1)N(C)Cc2c(nc3c(n2)c(nc(n3)N)N)C#N C963000
c1ccc(c(c1)C#N)c2ccc(cc2)C(Br)Br C978750
CC1([C@@H]([C@H](c2cc(ccc2O1)C#N)N3CCCC3)O)C C979100
CCOC(=O)Cc1cc2n(c(=O)c1C#N)CCC23OCCO3 C979190
CC1(C=Cc2cc(ccc2O1)C#N)C C979325
CN(C)S(=O)(=O)CC#N C979350
CCOc1cccc(c1)N/C=C(\C#N)/C(=O)OCC C979375
CCOc1cc2c(cc1[N+](=O)[O-])c(c(cn2)C#N)O C979425
CCOc1ccc2c(c1)ncc(c2O)C#N C979450
CCOC(=O)c1c[nH]nc1N/C=C(\C#N)/C(=O)OCC C979500
CCCCCCC(C)(C)c1ccc(c(c1)O)[C@@H]2C[C@@H](CC[C@H]2CCCO)O C781400
CCNC1(CCN(CC1)c2c3c(ncn2)n(c(n3)c4ccccc4Cl)c5ccc(cc5)Cl)C(=O)N.Cl C781410
CN1CC(=O)NC1=N C781420
[2H]C([2H])([2H])N1CC(=O)NC1=N C781500
[13CH3]N1[13CH2][13C](=O)N=[13C]1N C781502
CC1(COC1)COc2ccc3c(c2)ncn3c4ccc5cccc(c5n4)N6CCC(CC6)N C781503
Cc1ccccc1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C781800
Cc1ccccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O C781995
[2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[2H])[2H] C782000
COc1cc2c(cc1OC)C3CCCN3CC2 C782002
C[C@H](c1c(ccc(c1Cl)F)Cl)Oc2ccc(nc2N)c3cnn(c3)C4CCNCC4 C783500
[2H]C1(CC(CC(N1)([2H])[2H])n2cc(cn2)c3ccc(c(n3)N)O[C@H](C)c4c(ccc(c4Cl)F)Cl)[2H] C785000
CC1([C@@H]([C@H](c2cc(ccc2O1)C#N)N3CCCC3=O)O)C C785002
c1cc2c(c(c1)OCC(COc3cccc4c3c(=O)cc(o4)C(=O)[O-])O)c(=O)cc(o2)C(=O)[O-].[Na+].[Na+] C795000
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1c(=O)cc(o2)C(=O)[O-])O)Oc3cccc4c3c(=O)cc(o4)C(=O)[O-].[Na+].[Na+] C815002
CCN(c1ccccc1C)C(=O)/C=C/C C818000
CCC(C(=O)N(C)C)N(CC)C(=O)/C=C/C C818500
C[N+](C)(C)C/C=C/C(=O)[O-] C818800
[2H]C([2H])([2H])[N+](C/C=C/C(=O)[O-])(C([2H])([2H])[2H])C([2H])([2H])[2H] C818802
C1COCCOCCOCCOCCOCCO1 C824875
CN(C)C(=O)[C@H]1[C@@H](OCCOCCO[C@H]([C@@H](OCCOCCO1)C(=O)N(C)C)C(=O)N(C)C)C(=O)N(C)C C824900
C1CO[C@H]([C@H](OCCOCCO[C@H]([C@H](OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O C825000
CC(C)(C)c1ccc(c(c1)Cl)OP(=O)(NC)OC C825500
[2H]C([2H])([2H])NP(=O)(Oc1ccc(cc1Cl)C(C)(C)C)OC([2H])([2H])[2H] C825502
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@H](CC2(C)C)O)C)/C)/C C827500
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C[C@@H](CC2(C)C)O)C)/C)/C C827505
COc1cc2c(cc1OCCCCCCC(=O)NO)c(ncn2)Nc3cccc(c3)C#C C834500
CC(C)(C)CC(=O)N(Cc1cccc(c1)OC)[C@H]2C[C@H](N(C2)Cc3ccc4c(c3)OCO4)C(=O)N5CCNCC5 C835000
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O C838500
[2H]C(Oc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC([2H])([2H])[2H])O)([2H])[2H] C838502
COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C838510
[2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O C838512
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2OC)/C=C/C(=O)CC(=O)/C=C/c3ccc(c(c3)OC)O)C(=O)OC)OC(=O)C C838515
CCCC[N+](CCCC)(CCCC)CCCC.COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)OS(=O)(=O)[O-] C838520
[2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC([2H])([2H])[2H])OS(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC C838522
CN1CCC[C@H]1CC(=O)CC2CCCN2C C845000
[2H]C([2H])([2H])N1CCC[C@@H]1CC(=O)C[C@@H]2CCCN2C([2H])([2H])[2H] C845002
CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(Cc1cccc[n+]1CC)C(=O)C)OC.[Cl-] C856000
c1cc2c(cc1C(=O)N3CCCCC3)OCCO2 C858000
CC(CN1c2ccccc2Sc3c1cc(cc3)C#N)CN(C)C C951500
[2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc3c1cc(cc3)C#N)C([2H])([2H])[2H] C951502
CC(CN1c2ccccc2S(=O)c3c1cc(cc3)C#N)CN(C)C C951570
[13C](#N)N C952502
CCNc1nc(nc(n1)Cl)NC(C)(C)C#N C953500
[2H]C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)NC(C)(C)C#N C953502
c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O.[Cl-] C953670
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(cc(cc4[o+]c3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.[Cl-] C953680
c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4C([C@H]([C@@H](CO4)O)O)O)O)O.[Cl-] C953700
CN(CCCCC#N)CCN(Cc1ccc(cc1)OC)c2ccccn2 C955750
CC(C)NC(=N)NC#N C955800
CC(C)(C)OC(=O)C[C@H](C[C@@H](CC#N)O)O C955900
CC(C)(C)OC(=O)C[C@@H](C[C@@H](CC#N)O)O C955901
CCCN(CCC)C(=O)CC#N C956000
CC(C)(C)OC(=O)CC(=O)C[C@@H](CC#N)O C956100
C[C@]12CCC(=O)C=C1CC([C@@H]3C2=CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C)C#N C956160
C(#N)Br C956400
[13C](#N)Br C956402
c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4C([C@H]([C@H](C(O4)CO)O)O)O)O)O.[Cl-] C958000
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)O)S(=O)(=O)[O-])C.[K+] C958450
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)O)S(=O)(=O)[O-])C.[K+] C958480
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON6C(=O)CCC6=O)S(=O)(=O)[O-])C.[K+] C958500
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON6C(=O)CCC6=O)S(=O)(=O)[O-])C.[K+] C958600
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CC)(C)C)S(=O)(=O)O.[K+] C958800
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])C.[K+] C959000
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])C.[K+] C959050
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCN5C(=O)C=CC5=O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCN6C(=O)C=CC6=O)S(=O)(=O)[O-])C.[K+] C959070
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCN5CC(C[C@@H]6[C@@H]5[C@H](C7(O6)CCC8C9CC=C1C[C@H](CCC1(C9CC8=C7C)C)O)C)C)(C)C)S(=O)(=O)[O-].[K+] C959300
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCN5C(=O)C=CC5=O)S(=O)(=O)[O-])C.[K+] C959850
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)NCCSS(=O)(=O)C)S(=O)(=O)[O-])C.[K+] C960010
CC1(c2cc(ccc2[N+](=C1/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)O)S(=O)(=O)[O-])(C)C)CCCCCC(=O)ON5C(=O)CCC5=O)S(=O)(=O)[O-])C.[K+] C960050
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)O)(C)C)S(=O)(=O)[O-].[K+] C960300
CCN\1c2ccc(cc2C(/C1=C\C=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)O)(C)C)S(=O)(=O)[O-].[K+] C960330
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCN)(C)C)S(=O)(=O)[O-].[K+] C960360
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCNC(=O)OC(C)(C)C)(C)C)S(=O)(=O)[O-].[K+] C960365
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCCC(=O)O)(C)C)S(=O)(=O)[O-].[K+] C960380
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)S(=O)(=O)[O-].[K+] C960400
CCN\1c2ccc(cc2C(/C1=C\C=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)ON5C(=O)CCC5=O)(C)C)S(=O)(=O)[O-].[K+] C960430
CCN\1c2ccc(cc2C(/C1=C\C=C\C3=[N+](c4ccc(cc4C3(C)C)S(=O)(=O)[O-])CCCCCC(=O)NCCSS(=O)(=O)C)(C)C)S(=O)(=O)[O-].[K+] C960500
C(CSC[C@H](C(=O)O)N)C#N C979600
CC(C)N(C(C)C)P(OCCC#N)Cl C980000
C1C(O1)C#N C980100
CCOC(=O)C(C)N(CCC#N)Cc1ccccc1 C980125
C(CNCC(=O)O)C#N C980210
CC(C#N)c1cc2ccccc2[nH]1 C980450
C(COP(=O)([O-])[O-])C#N.[Ba+2] C980950
C(COP(Cl)Cl)C#N C981000
CC(C)[C@@H](C(=O)O)NCCC#N C981080
[2H][C@@H](C#N)C([2H])([2H])N[C@@H](C(C)C)C(=O)O C981082
c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)C#N)F C981200
COc1c(c[nH]c(=O)c1C#N)Cl C981310
CO[13c]1c(c(=O)[nH][13cH][13c]1Cl)C#N C981312
C(#N)NC(=N)N C981350
C(#[15N])[15NH]C(=[15NH])[15NH2] C981352
c1cn(cn1)C#N C981750
c1cc(c2c(c1)[nH]cc2CC(=O)O)C#N C981770
c1cc(cc2c1cc[nH]2)C#N C981780
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)C#N)Cl)CC1 C981800
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4C#N)Cl)CC1 C981805
CN(Cc1c(nc2c(n1)c(nc(n2)N)N)C#N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC C981820
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(C#N)c2ccc(cc2)OC)O)[2H] C981892
CNC1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981900
CN[C@@H]1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981901
[2H]C([2H])([2H])NC1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981902
CN[C@H]1CCc2c(c3cc(ccc3[nH]2)C#N)C1 C981905
CC1(O[C@H](C[C@H](O1)CC(=O)OC(C)(C)C)CC#N)C C981910
CC1(O[C@@H](C[C@H](O1)CC(=O)OC(C)(C)C)CC#N)C C981911
CCOC(=C(C#N)C#N)C C981915
CCO[13C](=C(C#N)C#N)[13CH3] C981917
c1ccc2c(c1)cc([nH]2)CC#N C981920
c1ccc2c(c1)c(ccc2C3CCCCC3)CC#N C981925
Cn1c(c2ccccc2n1)C#N C981930
[2H]C([2H])([2H])C(C#N)c1ccc(c2c1cccc2)C3CCCCC3 C981937
Cc1cc(ccn1)C#N C981940
Cc1cccc(n1)C#N C981945
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)SCC#N)OC(=O)C)OC(=O)C)OC(=O)C C981950
C(C#N)SCC(=O)O C981965
c1cc2cc(ccc2cc1C#N)O C981980
c1c(c(cc2c1[nH]c(=O)c(=O)[nH]2)[N+](=O)[O-])C#N C982000
c1cc(ncc1[N+](=O)[O-])C#N C982025
c1cc2c(cc1C#N)COC2=O C982075
c1cc2c(cc1C#N)C(=O)OC2 C982080
c1cc(ncc1C#N)C(=O)O C982085
CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C#N)OC)O C982090
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C#N)OC)O C982092
CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OCCC#N C982100
COc1ccc(cc1)C(C#N)C2(CCCCC2)O C982103
Cc1ccc(c2c1CCC2)C#N C982105
CCC(C#N)(c1ccccc1)C(=O)N C982106
[2H]c1c(c(c(nc1[2H])[2H])C#N)[2H] C982108
c1cc2c(cc1C#N)[nH]c(=O)c(=O)[nH]2 C982110
c1ccc2c(c1)Nc3cc(ccc3S2)C#N C982115
c1cc(ccc1C#N)NC(=N)N C982120
c1cc(ccc1C#N)NCC(=O)O C982125
[2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C#N)C(=O)OCC C982132
COCOC1CCCN(C1)c2ccccc2C#N C982140
c1c(cncn1)C#N C982145
c1ccc(c(c1)C#N)N2CCCC(C2)O C982150
c1cc(ncc1S(=O)(=O)Cl)C#N C982155
CC(=O)C(=O)Nc1ccc(c(c1)C(F)(F)F)C#N C982160
CN1CCN(C(C1)c2ccccc2)c3c(cccn3)C#N C982165
c1ccnc(c1)C#N C982170
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(n2)C#N)OC(=O)C)OC(=O)C C982175
c1[nH]nc(n1)C#N C982185
C1CN(C(=N)N1)CC(=O)O C982200
C1CN([14C](=N1)N)CC(=O)O C982220
C1CC[C@@H]([C@H](C1)O)O C984500
[13CH2](C#N)[13C](=O)[O-].[Na+] C987492
CC(C)CNC(=O)NC(=O)CC#N C987500
CC(=O)c1ccc(cc1)C#N C987505
[2H]c1c(c(c(c(c1C#N)[2H])[2H])C(=O)C)[2H] C987507
c1cc([nH]c(=O)c1C#N)O.[NaH] C987510
c1cc(c(cc1C=O)C#N)F C987515
c1cc2c(cc[nH]2)cc1C#N C987520
CC/C(=C(/C#N)\C(=O)OCC)/C C987530
[2H]C([2H])([2H])C/C(=C(/C#N)\C(=O)OCC)/C C987532
c1cc(ccc1C#N)NN.Cl C987535
C1CNCCC1C#N C987540
C1CCNC(C1)C#N C987545
C1CCNC(C1)[13C]#N C987547
CC(CCC(=O)O)(C#N)SC(=S)c1ccccc1 C987560
[2H]C([2H])([2H])C(C#N)(C([2H])([2H])[2H])O C987577
Cc1cc(cc(c1NC(=O)c2cc(nn2c3c(cccn3)Cl)Br)C(=O)NC)C#N C987580
Cc1ccc(cc1)c2c(nc(n2S(=O)(=O)N(C)C)C#N)Cl C987600
[2H]C([2H])([2H])N(C([2H])([2H])[2H])S(=O)(=O)n1c(nc(c1c2ccc(cc2)C)Cl)C#N C987602
CCOC(CCC#N)OCC C987630
Cc1ccc(c(c1)OCCOc2c(cccc2N(CC(=O)OC)CC(=O)OC)/C=C/C#N)N(CC(=O)OC)CC(=O)OC C987650
CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1 C987660
CC(=O)Nc1cccc(c1)c2ccnc3n2ncc3C#N C987670
B1(OC(C(O1)(C)C)(C)C)c2ccnc(c2)C#N C987680
Cc1cc2n(c(=O)c1C#N)CC(C2=O)C(=O)OC C987690
[13c]1(n[13c](n[13c](n1)Cl)Cl)Cl C987697
c1c[n+](ccc1C#N)[O-] C987700
CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)NC#N C987705
CC(C)OC(=O)N[C@H]1Cc2c3cc(ccc3[nH]c2C1)[N+]#[C-] C987710
c1(nc(nc(n1)O)O)O C987715
[13c]1(n[13c](n[13c](n1)O)O)O C987717
C1CCC(CC1)NS(=O)(=O)O C987720
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NS(=O)(=O)O)([2H])[2H])([2H])[2H])[2H] C987722
[2H]C1(C23C1(CCC(=O)C2)[C@H]4CC[C@]5([C@H]([C@@H]4CC3)CCC5=O)C)[2H] C987727
Cc1c(sc(n1)N)C2=N/C(=N/c3ccc(cc3)N4CCOCC4)/N=CC2 C987730
CC1[C@H]2Cc3ccc(cc3[C@]1(CC[N@@]2CC4CC4)C)O C987735
[2H]C1(CC1)C([2H])([2H])[N@]2CC[C@@]3(c4cc(ccc4C[C@@H]2C3C)O)C C987737
CC1[C@@H]2Cc3ccc(cc3[C@@]1(CC[N@]2CC4CC4)C)O C987740
[2H]C1(CC1)C([2H])([2H])[N@@]2CC[C@]3(c4cc(ccc4C[C@H]2C3C)O)C C987742
C1CNCCNCCNCCN1 C987745
CN(C)CCC=C1c2ccccc2C=Cc3c1cccc3.Cl C987750
[2H]C([2H])([2H])N(C)CCC=C1c2ccccc2C=Cc3c1cccc3.Cl C987752
C[N+](C)(CCC=C1c2ccccc2C=Cc3c1cccc3)[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)[O-])O)O)O C987755
C[N+](C)(CCC=C1c2ccccc2C=Cc3c1cccc3)[O-] C987760
[2H]C([2H])([2H])[N+](C)(CCC=C1c2ccccc2C=Cc3c1cccc3)[O-] C987762
c1cc(c(cc1Cl)Cl)NC(=O)C2(CC2)C(=O)O C987765
CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2 C987775
[2H]C([2H])(C)C1(C(=O)NC(=O)NC1=O)C2=CCCCC2 C987777
CC(C1CCC1)O C987790
C1CCC(NCC1)C2CCC2.Cl C987795
CC(C)(C)OC(=O)NC(CC1CCC1)C(=O)N(C)OC C987800
CN1CCN(CC1)C(c2ccccc2)c3ccccc3.Cl C987805
[2H]C1(CN(CC(N1C(c2ccccc2)c3ccccc3)([2H])[2H])C)[2H].Cl C987807
CC1=CCCC(C1C=O)(C)C C987820
CC1=C(C(CCC1)(C)C)C=O C987825
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])C=O)(C)C)[2H] C987827
C(C1[C@@H]2[C@@H](C([C@@H](O1)O[C@H]3[C@@H](C([C@@H](O[C@H]4[C@@H](C([C@@H](O[C@H]5[C@@H](C([C@@H](O[C@H]6[C@@H](C([C@@H](O[C@H]7[C@@H](C([C@@H](O[C@H]8[C@@H](C([C@@H](O2)OC8CO)O)O)OC7CO)O)O)OC6CO)O)O)OC5CO)O)O)OC4CO)O)O)OC3CO)O)O)O)O)O C987830
CC(=O)Oc1ccc(cc1)C(=C2CCCCC2)c3ccc(cc3)OC(=O)C C987835
CC1=C(C(CCC1)(C)C)C[P+](c2ccccc2)(c3ccccc3)c4ccccc4.[Br-] C987850
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])C[P+](c2ccccc2)(c3ccccc3)c4ccccc4)(C)C)[2H].[Br-] C987852
C1CCC(=O)C=CC1 C987860
C1CCC(CC1)(CC(=O)O)CC(=O)O C987865
CC1=C(C(CCC1)(C)C)CO C987870
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])CO)(C)C)[2H] C987872
C1CCCC(CC1)CN C987875
CC1(N=C(N=C(N1c2ccc(cc2)Cl)N)N)C.Cl C987880
[2H]c1c(c(c(c(c1N2C(=NC(=NC2(C)C)N)N)[2H])[2H])Cl)[2H].Cl C987882
C1C[C@@H](CC=C1)C(=O)O C987885
C1CC(=O)CC(=O)C1 C987890
C1C[13C](=O)[13CH2][13C](=O)C1 C987892
[13CH2]1[13CH2][13C](=O)[13CH2][13C](=O)[13CH2]1 C987893
CC1(COC2(CCC(=O)CC2)OC1)C C987895
C1[C@@H](CC[C@H](C1)CO)CO C987900
C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O C987905
c1ccc(cc1)COC2CCC(CC2)C(Cc3ccccn3)(C4CCCCC4)O C987910
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(Cc2ccccn2)(C3CCC(CC3)OCc4ccccc4)O)([2H])[2H])([2H])[2H])[2H] C987912
c1ccnc(c1)/C=C(\C2CCCCC2)/C3CCC(CC3)O C987915
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])/C(=C\c2ccccn2)/C3CCC(CC3)O)([2H])[2H])([2H])[2H])[2H] C987917
c1nc2c(nc(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)OCCC4CCCCC4)N C987920
c1ccc(cc1)[C@](C2CCCCC2)(C(=O)O)O C987923
c1ccc(cc1)[C@@](C2CCCCC2)(C(=O)O)O C987924
c1ccc(cc1)C(C2CCCCC2)(C(=O)O)O C987925
C1CCC(CC1)C2CCCCCN2.Cl C987930
C1CCC(CC1)[C@H](C(=O)O)N C987935
CCOC(=O)C=C1CCCCC1 C987940
C1CC[C@H]([C@@H](C1)CO)CO C987945
CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C C987950
C1CC=CC=C1 C987965
CCOC(=O)C1=CCC=CC1 C987975
[2H]C1(CC(=O)CC(C1([2H])[2H])([2H])[2H])[2H] C987982
CCNC1(CCCCC1)c2ccccc2.Cl C987985
[2H]C([2H])([2H])C([2H])([2H])NC1(CCCCC1)c2ccccc2.Cl C987987
[2H]C1(C(=O)C(C(C(=O)C1([2H])[2H])([2H])[2H])([2H])[2H])[2H] C987992
CC(C)(C)NC(CO)COc1ccc(cc1)NC(=O)NC2CCCCC2 C987995
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)NC(=O)NC2CCCCC2)NC(C)(C)C)O C987997
C1CCC2(CC1)O[C@H]3C(O2)[C@H]([C@H](C(C3O)O)O)O C988000
C1CCC(CC1)C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)O)N C988005
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)NCC(=O)O)N)([2H])[2H])([2H])[2H])[2H] C988007
c1cc(ccc1NC(=O)NC2CCCCC2)OCC3CO3 C988010
[2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2)NC(=O)NC3CCCCC3)[2H] C988012
COc1cc(ccc1OCCC2CCCCC2)/C=C/3\C(=O)NC(=O)S3 C988015
[2H]C([2H])(C1CCCCC1)C([2H])([2H])Oc2ccc(cc2OC)/C=C/3\C(=O)NC(=O)S3 C988017
c1cc(ccc1NC(=O)NC2CCCCC2)O C988025
C[N+]1(Cc2cc(cc(c2NC1)Br)Br)C3CCCCC3.C(=O)(C(F)(F)F)O C988030
C1CCC2(CC1)OC3[C@H](OC(C3O2)O)CO C988035
CC(=O)O[C@H]1[C@H]2[C@@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC3(O2)CCCCC3 C988045
c1ccc2c(c1)cccc2C3CCCCC3 C988055
CCCC1C(=O)N(C(=S)N1[C@@H](C)C(=O)O)C2CCCCC2 C988060
Cc1cc(oc(=O)c1)C2CCCCC2 C988065
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)o2)C)([2H])[2H])([2H])[2H])[2H] C988067
c1ccc(cc1)C[C@@H](C(=O)NC2CCCCC2)N C988070
c1ccc(cc1)C[C@@H](C(=O)NC2CCCCC2)N.C(=O)(C(F)(F)F)O C988075
C1CCC(CC1)NP(=O)(N)N C988090
CC(C)(C)OC(=O)N1CCC(CC1)(C2CCCCC2)C(=O)O C988100
C1CCC(CC1)[C@@H]2C[C@@H](NC2)C(=O)O.Cl C988110
C1CCC(CC1)CCC=O C988120
C1CCC(CC1)CCCN2CC([C@H]([C@@H](C2CO)O)O)O C988150
C1CCC(CC1)CCCN2C[C@H](C([C@@H](C2CO)O)O)O.Cl C988160
CC(C)(C)[C@@H](C(=O)O)NC(=O)[C@H](C1CCCCC1)NC(=O)c2cnccn2 C988200
c1cc(ccc1CCNC(=O)NC2CCCCC2)S(=O)(=O)N C988210
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)NCCc2ccc(cc2)S(=O)(=O)N)([2H])[2H])([2H])[2H])[2H] C988212
CCCC1C(=O)N(C(=S)N1[C@@H](C)C(=O)N2[C@H]3CCCC[C@H]3C[C@@H]2C(=O)OCc4ccccc4)C5CCCCC5 C988220
c1cc(ccc1CCNC(=O)NC2CCCCC2)S(=O)(=O)NC(=O)NC3CCCCC3 C988250
C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C C988270
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N1)CC(C)C C988300
COC(=O)c1cccc(c1NCc2ccc(cc2)c3ccccc3C#N)[N+](=O)[O-] C988320
CC(C)(C)OC(=O)N(Cc1ccc(cc1)c2ccccc2C#N)c3c(cccc3[N+](=O)[O-])C(=O)OC C988325
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4C#N)C(=O)OC C988330
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4C#N)C(=O)OC C988332
CCCCC(=O)NC1(CCCC1)C(=O)NCc2ccc(cc2)c3ccccc3C#N C988340
c1cc(c[n+](c1)[C@H]2[C@H](C([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3C4[C@@H]([C@@H](O3)n5cnc6c5ncnc6N)OP(=O)(O4)O)O)O)C(=O)N C988350
CC(CC1CCCC1)NC.Cl C988355
COC(=O)[C@@H]1CC[C@@H](C1)C(=O)O C988360
[SiH2]1[SiH2][SiH2][SiH2][SiH2]1 C988380
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 C988400
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1 C988405
C1CCC(C1)C(=O)O C988410
c1ccc2c(c1)c3c4c(c5c(c3[nH]2)cccn5)CCC4 C988415
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)CC3CCCC3 C988420
CN(C)CCOC(=O)C(c1ccccc1)C2(CCCC2)O.Cl C988430
c1cc(c(cc1Cl)C2CCCC2)O C988460
Cn1c2c(c(=O)n(c1=O)C)[nH]c(n2)C3CCCC3 C988490
CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)C3CCCC3 C988500
C1CCC(C1)[C@@H](C(=O)O)N C988515
B(/C=C/C1CCCC1)(O)O C988530
C1CCC(NCC1)C2CCCC2.Cl C988540
Cn1cc(c2c1ccc(c2)NC(=O)OC3CCCC3)Cc4ccc(cc4OC)C(=O)O C988550
c1ccc(c(c1)C2CCCC2)O C988565
[2H]C1(COP(=O)(NC1([2H])[2H])N(CCCl)CCCl)[2H] C988582
C1CC1C#N C988590
[2H]C1(C(C1([2H])C(=O)N)([2H])[2H])[2H] C988617
B(C1CC1)(O)O C988620
CC(C)(c1cccc(c1)C(=O)C2CC2)C(=O)O C988625
CC(C)(c1ccc(cc1)C(=O)C2CC2)C(=O)O C988630
CC(C)(c1ccc(cc1)C(=O)C2CC2)C(=O)OC C988635
c1c2c(c(c(c1F)F)O)n(cc(c2=O)C(=O)O)C3CC3 C988638
CCOC(=O)c1cn(c2c(c1=O)cc(c(c2F)F)OC)C3CC3 C988640
COc1c2c(cc(c1F)F)c(=O)c(cn2C3CC3)C(=O)O C988650
c1ccc(c(c1)CC(=O)C2CC2)F C988655
c1cc(ccc1CCOCC2CC2)O C988665
c1cc(ccc1CCOCC2CC2)OCC3CO3 C988670
[2H]C1(C(O1)([2H])C([2H])([2H])Oc2ccc(cc2)CCOCC3CC3)[2H] C988672
CC(C)(C(=O)c1ccc(cc1)S(=O)(=O)C)OC(=O)COCC2CC2 C988675
c1ccc2c(c1)C(=O)N(C2=O)OCC3CC3 C988680
C1CC1COCC(=O)O C988685
[2H]C1(C(C1([2H])[2H])COCC(=O)O)[2H] C988687
c1ccc2c(c1)c(c(c(n2)C3CC3)CO)c4ccc(cc4)F C988690
[2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)CO)([2H])[2H])[2H] C988692
C1CC1CN C988695
C[C@@H](c1ccc2c(c1)N(CCO2)CC3CC3)NC(=O)/C=C/c4ccccc4F C988700
c1ccc(c(c1)C(=O)C(=O)C2CC2)F C988705
c1ccc(c(c1)C#CC2CC2)F C988710
[2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)C=O)([2H])[2H])[2H] C988712
Cc1cc(ccc1F)C(CC(=O)O)C2CC2 C988715
c1cc(c(cc1C(=O)O)OCC2CC2)OC(F)F C988720
[2H]C1(C(C1([2H])[2H])COc2cc(ccc2OC(F)F)C(=O)O)[2H] C988722
C1CC1CBr C988725
CN[C@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O C988730
c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OC(F)F)OCC3CC3 C988735
CN[C@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O C988740
C1CC1CO[NH].Cl C988750
Cc1ccnc(c1[N+](=O)[O-])NC2CC2 C988760
Cc1ccnc(c1N)NC2CC2 C988765
CN(C1CC1)C2CCNCC2 C988770
COC(=O)CC(=O)C1CC1 C988775
[2H]C1(C(C1([2H])C(=O)CC(=O)OC)([2H])[2H])[2H] C988777
c1ccc(cc1)C2C(=O)N=C(O2)NC3CC3 C988785
[2H]c1c(c(c(c(c1[2H])[2H])C2C(=O)N=C(O2)NC3CC3)[2H])[2H] C988787
c1c2c(c(c(c1F)F)F)n(cc(c2=O)C(=O)O)C3CC3 C988790
CCOC(=O)c1cn(c2c(c1=O)cc(c(c2F)F)F)C3CC3 C988795
C1C(C(=O)NO1)N C988800
[2H]C1(C(C(=O)[15NH]O1)([2H])N)[2H] C988802
C(C1C(=O)NC(C(=O)N1)CON)ON C988810
C1[C@H](C(=O)NO1)N C988815
c1c2c(cc(c1O)F)n(cc(c2=O)C(=O)O)C3CC3 C988830
CCOC(=O)c1cn(c2cc(c(cc2c1=O)OC)F)C3CC3 C988835
CCOC(=O)C(=CN(c1ccc(c(c1)F)OC)C2CC2)C(=O)OCC C988840
c1cc2c(cc1F)c(=O)oc(=O)n2CCC3CC3 C988845
CCOC(=O)c1c(c2cc(ccc2n(c1=O)CCC3CC3)F)O C988850
CN1[C@H]2C[C@@H](C[C@@H]1[C@@H]3[C@H]2C3)OC(=O)C(c4ccccc4)(c5ccccc5)O C988860
C/C=C/C[C@@H](C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C C988890
c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O D103545
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O)C(=O)OC)OC(=O)C D103550
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)c3coc4cc(ccc4c3=O)O)C(=O)OC)OC(=O)C D103551
CC(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O[Si](C)(C)C(C)(C)C)OC)OC D103555
c1cnccc1N D113500
[2H]c1c(nc(c(c1N([2H])[2H])[2H])[2H])[2H] D113502
CCN(CC)CCS(=O)(=O)[C@@H]1CCN2[C@H]1C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc3nc(co3)C2=O)O)/C)C)C(C)C D120000
C/C=C/C(=O)C1=C(C=CCC1(C)C)C D134500
CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)O D136500
[2H]C([2H])([2H])N(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)O D136502
CCOC(=O)c1ccc(cc1)N(C)Cc2cnc3c(n2)c(nc(n3)N)N D136515
[2H]/C(=C\C[C@@H](C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OC(=O)C)/C([2H])([2H])[2H] C988892
[2H]/[13C](=C\C[C@@H](C)C(C(C(=O)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)OC(=O)C)/[13C]([2H])([2H])[2H].CCCC.CCCC C988893
C/C=C/C[C@@H](C)C(C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)OS(=O)(=O)O C988895
C/C=C/C[C@@H](C)[C@H](C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)O C988900
[2H]/[13C](=C\C[C@@H](C)[C@H](C(C(=O)CC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)O)/[13C]([2H])([2H])[2H].CCCC.CCCC C988901
[2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)O)/C([2H])([2H])[2H] C988902
CCCCN[C@H](C)C(=O)C(=O)C([C@@H]([C@H](C)C/C=C/C)O)N(C)C.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988903
[2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)C(=O)[C@@H](C)NCCCC)N(C)C)O)/C([2H])([2H])[2H].CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988904
CCCCN[C@@H]([C@@H](C)O)C(=O)C(=O)C([C@@H]([C@H](C)C/C=C/C)O)N(C)C.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988905
[2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)C(=O)[C@H]([C@@H](C)O)NCCCC)N(C)C)O)/C([2H])([2H])[2H].CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988907
CCCC.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC.C/C=C/C[C@@H](C)[C@H](C(C(=O)C(=O)[C@H](C(C)C)NC)N(C)C)O C988910
[2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)C(=O)[C@H](C(C)C)NC)N(C)C)O)/C([2H])([2H])[2H].CCCC.CCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988912
CCCC.CCCCC(=O)C([C@@H]([C@H](C)C/C=C/CO)O)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC C988915
CCCC.CCCCC(=O)C([C@@H]([C@H](C)C/C=C/C)O)N(C)C C988920
[2H]/C(=C\C[C@@H](C)[C@H](C(C(=O)CCCC)N(C)C)O)/C([2H])([2H])[2H].CCCC C988922
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)[C@@H]3C[C@@H]4C[C@H]3C=C4 C988960
Cc1ncc(c(n1)N)CN(C=O)/C(=C/2\CCOC(=O)S2)/C C988970
c1cc2ccc1C(=O)OCCCCOC(=O)c3ccc(cc3)C(=O)OCCCCOC(=O)c4ccc(cc4)C(=O)OCCCCOC2=O C988975
CC1([C@@H]([C@@H]1C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3)/C=C(/C(F)(F)F)\Cl)C C988980
CC1(C(C1C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C C989000
c1ccc2c(c1)CCc3ccccc3C2C(=O)N C989040
Cc1ccc(cc1)c2c(cnn2C)c3c4c(ncnc4N5CC[C@@H](C5)N6CCCCC6)n(n3)C C989050
Cc1cc(nc(n1)Nc2ccccc2)C3CC3 C989060
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O C989090
[2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@]2([C@H]5C[C@H]5C1=O)C)C)(C(=O)C([2H])([2H])[2H])O)Cl C989092
[2H]C1=C2C(=C[C@H]3[C@@H]4CC[C@@]([C@]4(CC[C@@H]3[C@@]2([C@H]5C[C@]5(C1=O)[2H])C([2H])([2H])[2H])C)([13C](=O)[13C]([2H])([2H])[2H])O)Cl C989093
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C C989100
[2H][13C]([2H])([2H])[13C](=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)C(=O)C C989102
C1CC1Nc2nc(nc(n2)N)N C989300
[2H]C1(C(C1([2H])[2H])Nc2nc(nc(n2)N)N)[2H] C989302
C(CSCC(C(=O)O)N)C(C(=O)O)N C989495
C(CSC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N C989500
C(CS)N.Cl C992000
C([C@@H](C(=O)O)N)S(=O)(=O)O.O C994500
CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)O)N)O.C(=O)(C(F)(F)F)O C994750
[2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)O)N)O.C(=O)(C(F)(F)F)O C994752
C([C@@H](C(=O)O)N)S C995000
[2H][C@@](C(=O)O)(C([2H])([2H])S)[15NH2] C995002
C([C@@H](C(=O)O)N)S.O.Cl C995005
C(C(C(=O)O)N)S C995015
[13CH2](C(C(=O)O)N)S C995017
C(CC(=O)NC(C(=O)NCC(=O)O)SCSCC(C(=O)O)N)C(C(=O)O)N C995500
C(C(C(=O)O)[NH3+])SS(=O)(=O)[O-].O C997200
C([C@@H](C(=O)O)N)S(=O)O.O C997750
C([C@@H](C(=O)O)N)SS(=O)(=O)C[C@@H](C(=O)O)N C997825
C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N C997860
[13CH2]([13C@@H]([13C](=O)O)[15NH2])SS[13CH2][13C@@H]([13C](=O)O)[15NH2] C997862
COC(=O)[C@H](CSC)N.[Cl] C997900
c1cn(c(=O)nc1N)[C@H]2[C@@H](C([C@H](O2)CO)O)O C998100
[13cH]1[13cH]n(c(=O)n[13c]1N)[C@H]2[C@@H](C([C@H](O2)CO)O)O C998102
c1cn(c(=O)nc1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C998105
[13cH]1[13cH]n(c(=O)n[13c]1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C998107
c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)O)O C998300
c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O C998305
c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)O)OP(=O)(O)O.c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)OP(=O)(O)O)O C998310
c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+] C998315
c1cn(c(=O)nc1N)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)[O-].[Na+] C998320
c1cc2n(c(=O)c1)C[C@H]3C[C@@H]2CNC3 C998500
c1c[nH]c(=O)nc1N C998950
c1c[15nH][13c](=O)[15n]c1N C998952
c1ccc(cc1)C(=Cc2ccc(cc2)N3c4ccc(cc4C5C3CCC5)/C=C\6/C(=O)N(C(=S)S6)CC(=O)O)c7ccccc7 D100000
CCN1C(=O)/C(=c\2/n(c(=O)/c(=C/c3ccc4c(c3)C5CCCC5N4c6ccc(cc6)C=C(c7ccccc7)c8ccccc8)/s2)CC(=O)O)/SC1=S D100020
CCCCCCCCN1C(=O)/C(=c\2/n(c(=O)/c(=C\c3ccc4c(c3)C5CCCC5N4c6ccc(cc6)C=C(c7ccccc7)c8ccccc8)/s2)CC(=O)O)/SC1=S D100035
CC(C)C(CCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl D100045
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C(CCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c2ccc(c(c2)OC)OC.Cl D100047
CC(C)C(CCCNC)(C#N)c1ccc(c(c1)OC)OC D100050
CC(=O)Nc1ccc(nc1N)NCc2ccc(cc2)F.Cl D100065
[2H]c1c(c(c(c(c1CNc2ccc(c(n2)N)NC(=O)C)[2H])[2H])F)[2H].Cl D100067
CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)N3c4ccccc4C[C@H]3C(=O)N[C@@H](CCCCNC(=O)OCc5ccccc5)C(=O)OC D100080
Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccccn5 D100085
Cn1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O)c4ccccn4 D100090
[2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)O)c4ccccn4 D100092
[2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C(=N)N)C(=O)N(CCC(=O)OCC)c4ccccn4 D100097
CN(C)c1ccc(cc1)/N=N/c2ccc(cc2)S(=O)(=O)NCCSS(=O)(=O)C D100100
CCCCCCOC(=O)NC(=N)c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4.CS(=O)(=O)O D100150
CN(C)/N=N/c1c(nc[nH]1)C(=O)N D101400
[2H]C([2H])([2H])N(C([2H])([2H])[2H])N=Nc1c(nc[nH]1)C(=O)N D101402
COC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)O)Cl)Cl D101650
[2HH].[2HH].Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)N[C@H](C=O)[C@@H](C)O)N)C)C(=O)N[C@H](C=O)[C@@H](C)O D102500
CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5O)[N+]6(CCCCC6)C)C D102700
c1cc(ccc1c2coc3cc(ccc3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D103490
CC(=O)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)OC(=O)C D103495
c1cc(ccc1c2coc3cc(ccc3c2=O)O)O D103500
[2H]c1cc(cc(c1O)[2H])c2coc3c(c(ccc3c2=O)O)[2H] D103501
[2H]c1cc2c(=O)c(coc2c(c1O)[2H])c3c(c(c(c(c3[2H])[2H])O)[2H])[2H] D103502
CC(C)(C)[Si](C)(C)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)O[Si](C)(C)C(C)(C)C D103505
c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O.[K+] D103510
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O)O)O)O D103515
c1cc(ccc1c2coc3cc(ccc3c2=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] D103520
c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)OS(=O)(=O)[O-].[Na+].[Na+] D103525
c1cc(ccc1c2coc3cc(ccc3c2=O)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O)O D103530
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)OS(=O)(=O)O)C(=O)OC)OC(=O)C D103535
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3c(c2)occ(c3=O)c4ccc(cc4)O)O)O)O D103540
CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)OC D136525
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=Cc5c(cno5)C[C@]34C D145000
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2([13C]#[13CH])O)CCC4=Cc5c([13cH]no5)C[C@]34C D145002
CN1C[C@@H]2C[C@H]1CN2c3cc4c(cc3F)c(=O)c(cn4C5CC5)C(=O)O.CS(=O)(=O)O D153400
[2H]C([2H])([2H])N1C[C@@H]2C[C@H]1CN2c3cc4c(cc3F)c(=O)c(cn4C5CC5)C(=O)O.CS(=O)(=O)O D153402
CN(C)c1cccc2c1cccc2S(=O)(=O)O D172860
[2H]C([2H])([2H])N(c1cccc2c1cccc2S(=O)(=O)O)C([2H])([2H])[2H] D172862
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCS D172900
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCSS(=O)(=O)C D173500
CN(C)c1cccc2c1cccc2S(=O)(=O)NC(CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)NCCSS(=O)(=O)C D177000
CN(C)c1cccc2c1cccc2S(=O)(=O)Cl D177500
[2H]C([2H])([2H])N(c1cccc2c1cccc2S(=O)(=O)Cl)C([2H])([2H])[2H] D177502
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCN D179500
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O D180500
CN(C)c1cccc2c1cccc2S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O D180505
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCSSCCC(=O)NN D181500
CN(C)c1cccc2c1cccc2S(=O)(=O)NCCSSCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-].[Na+] D181900
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(CC(=O)[C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)C)C(=O)C D198070
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(CC(=O)[C@H]4[C@H]3CCC5=C/C(=N/NC(=O)N)/C=C[C@]45C)C)/C(=N/NC(=O)N)/C D198080
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O D198250
CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O D198260
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C D229585
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C D229590
CCCC1=C[C@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl D229595
c1ccc-2c(c1)Cc3ccccc3-n4c2cnc4N.Cl D229600
C[C@]12CC[C@@H]3c4ccc(cc4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O)O D229605
C[C@]12CC=C3c4ccc(cc4CC[C@H]3[C@@H]1CCC2(C#C)O)O D229610
Cc1c2ccc3cc(cc(c3c2ccc1O)C=C)O D229615
C[C@]12CC[C@@H]3c4ccc(cc4C=C[C@H]3[C@@H]1CC[C@@H]2O)O D229620
[2H]C([2H])([2H])N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC D230787
[2H]C([2H])([2H])N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC([2H])([2H])[2H])OC)OC)OC D230788
CN[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC.Br D230795
CC1CN(CCN1)c2c(cc3c(c2F)n(cc(c3=O)C(=O)O)C4CC4)F D230800
CN(C)Cc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/[O-].[Na+] D230805
[2H]C([2H])([2H])N(Cc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/[O-])C([2H])([2H])[2H].[Na+] D230807
CNCCCOc1c2ccccc2n(n1)Cc3ccccc3.Cl D230810
[2H]C([2H])([2H])NCCCOc1c2ccccc2n(n1)Cc3ccccc3.Cl D230812
CN1CCC(CC1)COc2cc3c(cc2O)c(ncn3)Nc4ccc(cc4F)Br D231365
[2H]C1(CC(CC(N1C)([2H])[2H])COc2cc3c(cc2O)c(ncn3)Nc4ccc(cc4F)Br)[2H] D231367
CCSCCSP(=O)(OC)OC D231370
CCS(=O)(=O)CCSP(=O)(OC)OC D231375
CCS(=O)CCSP(=O)(OC)OC D231380
CCOP(=O)(OCC)SCCS(=O)(=O)CC D231385
CCOP(=O)(OCC)SCCS(=O)(=O)CC D231390
c1cc(ccc1c2ccc(o2)/C=N/N3CC(=O)NC3=O)[N+](=O)[O-].[NaH] D185000
c1cc(ccc1c2ccc(o2)/C=N/N3[13CH2][13C](=O)N[13C]3=O)[N+](=O)[O-] D185002
CN1CCN(CC1)c2ccc(cc2)C(=O)Nc3c4c([nH]n3)CN(C4)C(=O)[C@@H](c5ccccc5)OC D185070
CCOc1ccc(cc1)Cc2cc(ccc2Cl)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D185370
CC(C)(C)OC(=O)NC[C@@H](C(=O)OCc1ccccc1)NC(=O)OCc2ccccc2 D185400
Cc1ccccc1N2CCN(CC2)CCc3nnc4n3CCCC4.Cl D185450
Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C D185500
[2H]c1c(c(c(c(c1C([2H])([2H])[2H])Nc2ccnc(n2)Nc3ccc(cc3)C#N)C([2H])([2H])[2H])[2H])C([2H])([2H])[2H] D185502
CN(C)[C@@H](CCOc1cccc2c1cccc2)c3ccccc3.Cl D185700
[2H]C([2H])([2H])N([C@@H](CCOc1cccc2c1cccc2)c3ccccc3)C([2H])([2H])[2H].Cl D185702
C[N+](C)([C@@H](CCOc1cccc2c1cccc2)c3ccccc3)[O-] D185710
c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)N D193250
[2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2ccc(cc2)N)[2H] D193252
[2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2c(c(c(c(c2[2H])[2H])N)[2H])[2H])[2H] D193255
c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)NO D193260
[2H]c1c(c(c(c(c1N)[2H])[2H])S(=O)(=O)c2ccc(cc2)NO)[2H] D193262
CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)c4ccccc4N)C D193350
[2H]c1c(c(c2c(c1[2H])c(c([nH]2)[2H])C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)c4ccccc4N)C)NC(=O)CCCCCCCCC)[2H])[2H] D193352
CN1CCCN(CC1)c2ccc(cc2)C(=O)Nc3c(cccc3O)NC(=O)c4ccc(cc4)OC.C(=C\C(=O)O)\C(=O)O D193375
[2H]C([2H])([2H])Oc1ccc(cc1)C(=O)Nc2cccc(c2NC(=O)c3ccc(cc3)N4CCCN(CC4)C)O.C(=C\C(=O)O)\C(=O)O D193377
c1ccc(cc1)C(c2ccccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C(=O)N.Br D193400
[2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])N3CCC(C3)C(c4ccccc4)(c5ccccc5)C(=O)N D193402
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N D193500
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N D193502
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O D193510
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)S(=O)(=O)c5ccc(cc5)N D193515
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl D193600
[2H]C1(C(N(C(C(N1CCO)([2H])[2H])([2H])[2H])c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])[2H] D193602
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CC(=O)O)Cl D193605
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CC[N+](CC4)(CCO)[O-])Cl D193610
[2H]C1(C([N+](C(C(N1c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])([2H])[2H])(CCO)[O-])([2H])[2H])[2H] D193612
CCOC(=O)CN1CCN(CC1)c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C D193615
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)Cl D193635
CC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[C@H](C1)O)O D193850
[2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O)O)C2=O D193852
[2H]C([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O)O)C2=O D193853
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O.Cl D194490
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O.Cl D194500
[2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)C)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O)C2=O D194502
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)([C@@H](C)O)O)N)O D194510
[2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)([C@@H](C)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)O)C2=O D194512
CC1[C@H]([C@@H](C[C@H](O1)O)N)O.Cl D194750
c1ccc(cc1)C2N(O2)S(=O)(=O)c3ccccc3 D194900
c1cc(c(cc1N2C[C@@H](OC2=O)CN=[N+]=[N-])F)N3CCOCC3 D195600
c1ccc2c(c1)C(=O)N(C2=O)C[C@H]3CN(C(=O)O3)c4ccc(c(c4)F)N5CCOCC5 D195610
[2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C#N)C(=O)N(CCC(=O)OCC)c4ccccn4 D195652
[2H]C([2H])([2H])n1c2ccc(cc2nc1CNc3ccc(cc3)C#N)C(=O)N(CCC(=O)OCC)c4ccccn4.C(=O)(C(=O)O)O D195662
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)C D198000
[2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@@H]5[C@]([C@]4(C1([2H])[2H])C)(N=C(O5)C)C(=O)C)O D198002
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=C/C(=N/NC(=O)N)/C=C[C@]45C)O)C)/C(=N/NC(=O)N)/C D198040
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@H]1O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O D198265
CCCC(=O)c1cc(ccc1OCC(CNC(C)C)O)NC(=O)CCC.Cl D198500
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)CCC)NC(=O)CCC)O)NC(C)C.Cl D198502
C/C=C(\C)/C(=O)N[C@@H](c1ccccc1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)c6ccccc6)O)O D198650
COc1cc2c(c(c1OC)OC)-c3ccc(c(=O)cc3C(CC2)N)O D198895
COc1cc2c(c(c1OC)OC)-c3ccc(c(=O)cc3[C@H](CC2)N)O D198900
COc1cc2c(c(c1OC)OC)-c3ccc(c(=O)cc3C(CC2)NC(=O)C(F)(F)F)O D198905
COc1ccc-2c(cc1=O)C(CCc3c2c(c(c(c3)OC)OC)OC)N D198915
COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198920
COc1ccc-2c(cc1=O)[C@@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198921
CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C.COc1ccc-2c(cc1=O)C(CCc3c2c(c(c(c3)OC)OC)OC)N D198925
CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C.COc1ccc-2c(cc1=O)[C@@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198928
CC1([C@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)N)C.COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)N D198929
CN(C)CCN1c2ccccc2SC([C@H](C1=O)O)c3ccc(cc3)O.Cl D198930
C[N+](C)(CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC)[O-] D198935
COc1ccc-2c(cc1=O)[C@H](CCc3c2c(c(c(c3)OC)OC)OC)NC=O D198940
CC(=O)N(CC(CNc1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)O)c2c(c(c(c(c2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I D198945
C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CCC1O)C)C(C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)[O-])O)C)O)C.[Na+] D198950
c1cc(ccc1N2CCNCC2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl D198955
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl)([2H])[2H])[2H] D198957
c1cc(c(cc1N2C[C@@H](OC2=O)CN)F)N3CCOCC3 D198960
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O[C@@H]8[C@@H](C([C@H](CO8)O)O)O)C)O D198965
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)OC(=O)C)C)O)C)OC)C)O D198975
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=O)\C)C)O)C)O)C)O)C)OC)C)O D198980
[2H]C([2H])([2H])C(CN1CCC2(CC1)NC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N4)\C)C)O)C)O)C)O)C)OC)C)C3=N2)C([2H])([2H])[2H] D198982
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)NC(=C(C3=O)/C=N/N5CCN(CC5)C)C2=O)\C)C)O)C)O)C)O)C)OC)C)O D198990
CC1=C2[C@@H](C[C@H]1c3ccoc3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4O)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C D199000
C[C@H]1C[C@]2([C@@H](CC[C@@]2(C(=O)C)O)[C@H]3[C@H]1[C@H]4CCC(=O)C=C4CC3)C D199005
[2H]C([2H])([2H])C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C)O D199007
CCC1=C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C)C(=O)OC D199010
[2H]C([2H])([2H])OC(=O)[C@@]1(C[C@H]2C[N@@](Cc3c1[nH]c4c3cccc4)CC(=C2)CC)c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C D199012
COCCCC/C(=N/O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)/c2ccc(cc2)C(F)(F)F D199050
CCOc1ccccc1OCCN[C@H](C)Cc2ccc(cc2)OC D199800
c1cnc(c2c1n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O)N D200875
c1c[nH]c2c1c(=O)[nH]c(n2)N D201325
c1c[nH]c2c1nc([nH]c2=O)N D201330
c1cc(ccc1CCc2c[nH]c3c2c(=O)nc([nH]3)N)C(=O)ON4C(=O)CCC4=O D201350
c1cn(c2c1c(=O)[nH]c(n2)N)[C@H]3[C@H](C([C@H](O3)CO)O)O D201390
c1c(c2c([nH]1)c(=O)[nH]c(n2)N)[C@H]3[C@H](C([C@H](O3)CO)O)O D201400
c1c[nH]c2c1c(=O)[nH]cn2 D201600
c1c[nH]c2c1c(=O)[nH]c(n2)S D201700
c1c2c(ncn1)N=CC2 D201950
c1cn(c(=O)cc1O)[C@H]2C([C@H]([C@H](O2)CO)O)O D203240
C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)O)C)O)C D203500
CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccc(cc4)OCc5ccccc5)N)O)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D204080
CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]4[C@@H](N(C(O4)(C)C)C(=O)OC(C)(C)C)c5ccc(cc5)OCc6ccccc6)O)OC(=O)c7ccccc7)[C@@]8(CO[C@@H]8[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D204085
CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]4[C@@H](N(C(O4)(C)C)C(=O)OC(C)(C)C)c5ccc(cc5)OCc6ccccc6)O)OC(=O)c7ccccc7)[C@@]8(CO[C@@H]8[C@H]([C@H]3O)O)OC(=O)C)C)OC(=O)C D204090
CC1=C2[C@H](C(=O)[C@@]3(C=C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccc(cc6)OCc7ccccc7)O)OC(=O)c8ccccc8)(CO4)OC(=O)C)C)OC(=O)C D204095
CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3O)(C4(C)C)O)O[Si](C)(C)C)C)O[Si](CC)(CC)CC)C)OC(=O)C D204100
CCCCC(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)C)OC(=O)C)C D204500
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)N)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C D205125
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)OCc6ccccc6)N)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)C D205135
c1ccc2c(c1)CCN(C2)C(=N)N D208700
c1ccc2c(c1)CCN(C2)[13C](=[15NH])[15NH2] D208702
c1c[nH]c2c1/C(=C\3/C(=O)N=C(N3)N)/CCNC2=O D208900
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)N6C(=O)C(OC6=O)(C)C)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D209700
CCCCC/C=C/C=C/C=O D210500
CS(=O)(=O)SCCCCCCCCCCSS(=O)(=O)C D210875
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 D211100
CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CSc3ccccc3)NC(=O)OCc4ccccc4)O D212050
CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1 D212090
C1CC[C@@H]2CN[C@H](C[C@@H]2C1)C(=O)O.Cl D212130
CC1([C@H]([C@H]1C(=O)O)C=C(Br)Br)C D212400
C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C D212440
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C D212450
C(CCCCO)CCCC(CO)O D212500
CCCCCCCCCC(=O)O D212525
CCCCCCCC[13CH2][13C](=O)O D212527
CCCCCCCCC(C)OS(=O)(=O)C D212550
CCCCCCCCCC(=O)N[C@@H](CCC(=O)N)C(=O)O D212600
C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O D212700
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)\C)/C)/C)/C D212900
[2H]C1(C(=C(C(CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(CCC2(C)C)([2H])[2H])C([2H])([2H])[2H])\C)\C)\C)/C)/C)/C)C([2H])([2H])[2H])[2H] D212902
CCCC(C)(CO)COC(=O)N D213000
CCCN(CCC)CCc1cccc(c1CO)N D213500
CC1COc2c3n1ccc(=O)c3cc(c2N4CCN(CC4)C)F D215400
c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CC(=O)O.Cl D215500
c1ccc(cc1)[C@H](c2ccc(cc2)Cl)N3CCN(CC3)CCO D215510
c1cn(c2cc(c(cc2c1=O)F)N3CCNCC3)C4CC4 D220500
CCN1CCN(CC1)c2cc3c(cc2F)c(=O)ccn3C4CC4 D220700
CC1CN(CCN1)c2c(cc3c(=O)ccn(c3c2OC)C4CC4)F D221500
COc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)ccn2C5CC5 D221550
[2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC1c2ccccc2N(S(=O)(=O)c3c1ccc(c3)Cl)C D221602
C/C=C/C=C/C=C/C=C/C=O D225000
C/C=C/C=C/C=C/C=C/C(=O)O D225500
[C@@H]12[C@H]3[C@H](C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)O[C@@H]1[C@]5(C(=C([C@]2(C5(Cl)Cl)Cl)Cl)Cl)Cl D226200
C1C2[C@@H]3C(C1C4[C@@H]2[C@@]5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)[C@]6(C(=C([C@@]3(C6(Cl)Cl)Cl)Cl)Cl)Cl D226205
c1c(c(c(c(c1Br)Br)[C@H]2CC3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Br)Br D226210
C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl D226215
c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4cccc(c4)Br.Cl D226260
c1cc2c(c(c1)Cl)CCc3cccnc3C2=C4CCNCC4 D226275
c1cc2c(nc1)C(=C3CCNCC3)c4cc(ccc4CC2)Cl D226280
c1cc2c(c(c1)Cl)C(=C3CCNCC3)c4c(cccn4)CC2 D226285
c1cc(c(cc1Cl)Cl)c2c(nc(nn2)N)N D226300
CCOC(=O)N1CCC(=C2c3cccc(c3CCc4c2nccc4)Cl)CC1 D226325
CCOC(=O)N1CCC(=C2c3cc(ccc3CCc4c2nccc4)Cl)CC1 D226330
CCOC(=O)N1CCC(=C2c3c(cccc3Cl)CCc4c2nccc4)CC1 D226335
CN1CCC(=C2c3cccc(c3CCc4c2nccc4)Cl)CC1 D226350
CN1CCC(=C2c3cc(ccc3CCc4c2nccc4)Cl)CC1 D226355
CN1CCC(=C2c3c(cccc3Cl)CCc4c2nccc4)CC1 D226360
CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)c3ccc(cc3)Cl)O)(c4ccccc4)c5ccccc5 D226380
[2H]C([2H])([2H])N(C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)c3ccc(cc3)Cl)O)(c4ccccc4)c5ccccc5)C([2H])([2H])[2H] D226382
C1CNP(=O)(OC1)NCCCl D226400
[2H]C([2H])(C([2H])([2H])Cl)NP1(=O)NCCCO1 D226402
C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(cc3OC)OC)O2)OC D226450
c1cc(cc(c1)Cl)c2ccc(cc2)C3(CCN(CC3)CCCC(=O)c4ccc(cc4)F)O D226470
c1cc(ccc1c2ccc(cc2)Cl)C3(CCN(CC3)CCCC(=O)c4ccc(cc4)F)O D226475
c1ccc(cc1)C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O D226500
CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)N=C=S D226550
c1cc(c(cc1C(=O)Nc2ccncc2Cl)OCC3CC3)OC(F)F D226600
CN[C@@H]1CC[C@H](c2c1cccc2)c3ccc(cc3)Cl.Cl D226650
c1ccc(cc1)N2CCN(CC2)CCCn3c(=O)n4ccccc4n3 D226700
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C)C)O)(C)O D226800
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCCO D226850
[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccccc3)([2H])[2H])[2H] D226852
CCCCCCCCCCOc1cc2c(cc1OCC)ncc(c2O)C(=O)OCC D226880
Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSc4nnnn4C)OC)SC2)C(=O)O D226900
CCOC(=O)C(CN(C)C)c1ccc(cc1)O D226950
[2H]C([2H])([2H])N(CC(c1ccc(cc1)O)C(=O)OCC)C([2H])([2H])[2H] D226952
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC)C D226955
[2H]C([2H])([2H])n1cc(c2c1ccc(c2)NC(=O)OC)Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c4ccccc4C D226957
c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)O)OC(F)F D226960
CCCCCCCCCCNCCO D226980
CCCCCCCCCCNCCCCCC[N+](C)(C)C.Br.[Br-] D226990
[2H]C([2H])([2H])[N+](CCCCCCNCCCCCCCCCC)(C([2H])([2H])[2H])C([2H])([2H])[2H].Br.[Br-] D226992
CCCCCCCCCCNCCCCCC[N+](C)(C)C.Cl.[Cl-] D226995
CCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] D227000
CCCCCCCCCCN(CCO)C(=O)OCC1c2ccccc2-c3c1cccc3 D228150
CCCCCCCCCCSS(=O)(=O)C D228450
CCCCc1c(c2ccccc2o1)C(=O)c3ccc(c(c3)I)O D228480
CCCC(c1c(c2ccccc2o1)C(=O)c3ccc(cc3)O)OC D228485
CC(c1ccccn1)C2=C(Cc3c2cccc3)C=C D228490
CCN(CC)C(=O)c1cccc(c1)C D228500
[2H]C([2H])([2H])C([2H])([2H])N(C(=O)c1cccc(c1)C)C([2H])([2H])C([2H])([2H])[2H] D228502
C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N D228550
c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O D228650
[2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])n2c(nc(n2)c3ccccc3O)c4ccccc4O)[2H] D228652
[2H]c1c(c(c(c(c1[2H])c2nc(n(n2)c3ccc(cc3)C(=O)O)c4ccccc4O)O)[2H])[2H].[2H]c1c(c(c(c(c1[2H])c2nc(nn2c3ccc(cc3)C(=O)O)c4ccccc4O)O)[2H])[2H] D228653
c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccccc5O)O D228660
c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)[O-])c4ccccc4[O-])[O-].c1ccc(c(c1)c2nc(n(n2)c3ccc(cc3)C(=O)[O-])c4ccccc4[O-])[O-].[Fe+4] D228670
c1ccc(cc1)COc2cc3c(cc2N4CCNCC4)n(cc(c3=O)C(=O)OCc5ccccc5)C6CC6 D228680
c1cc(ccc1c2ccc(cc2)F)[C@@H]3CCNC[C@H]3COc4ccc5c(c4)OCO5.Cl D228690
[2H]C1(C[C@H]([C@@H](C(N1)([2H])[2H])COc2ccc3c(c2)OCO3)c4ccc(cc4)c5ccc(cc5)F)[2H].Cl D228692
Cc1ccc(cc1)S(=O)(=O)O.CS(=O)(=O)CCNCc1ccc(o1)c2ccc3c(c2)c(ncn3)Nc4ccc(c(c4)Cl)O D228750
c1ccc(c(c1)C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F D228780
[2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccccc3F)O)[2H])[2H])Cl)[2H] D228782
CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)N3CCOCC3 D228800
[2H]C([2H])([2H])C(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)N3CCOCC3 D228802
c1cc(c(cc1n2cncn2)F)C(Cn3cncn3)(Cn4cncn4)O D228850
[2H]C([2H])(C(c1ccc(cc1F)n2cncn2)(C([2H])([2H])n3cncn3)O)n4cncn4 D228852
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C D228975
[2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@@H]5[C@]([C@]4(C1([2H])[2H])C)(N=C(O5)C)C(=O)COC(=O)C)O D228977
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O D228980
CCOc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4.Cl D228985
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)[nH]n3)c4ccccc4 D228990
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)N=C=S D228995
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccccc3)c4ccccc4)C(=O)Nc5ccccc5 D229000
CC1COc2c(ccc3c2n1ccc3=O)N4CCN(CC4)C D229005
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccccc2)c3ccccc3)C(=O)Nc4ccccc4.[Na+] D229010
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)O D229015
C[C@H]1COc2c(ccc3c2n1cc(c3=O)C(=O)O)N4CCN(CC4)C D229020
[2H]C([2H])([2H])N1CCN(CC1)c2ccc3c4c2OC[C@@H](n4cc(c3=O)C(=O)O)C D229022
CCCCc1c(c2ccccc2o1)C(=O)c3ccc(c(c3)I)OCCN(CC)CC D229025
COc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4.Cl D229030
c1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4 D229035
C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)N5CCN(CC5)C)C(=O)O D229040
c1ccc2c(c1)CCC(O2)C(CNCC(C3CCc4cc(ccc4O3)F)O)O D229045
CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2 D229050
c1ccc(cc1)CN2CC[C@H]([C@@H](C2)COc3ccc4c(c3)OCO4)c5ccccc5.Cl D229055
CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C D229060
CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC(=O)C)O)O.C(=C/C(=O)O)\C(=O)O D229065
C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)N)O)O.C(=C/C(=O)O)\C(=O)O D229070
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)NCC(c2ccc(c(c2)N)O)O.C(=C/C(=O)O)\C(=O)O D229072
CC(=O)Oc1cc2c(s1)CCN(C2)C(c3ccccc3)C(=O)C4CC4.Cl D229075
[2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)C2CC2)N3CCc4c(cc(s4)OC(=O)C)C3)[2H])[2H].Cl D229077
CCCc1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CN)C D229080
CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CN)C.Cl D229081
[2H]C1(c2cc(ccc2[C@]3(CCC[C@@]([C@@H]3C1([2H])[2H])(C)CN)C)C(C)C)[2H] D229082
CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C D229085
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C)OC(=O)C D229090
CC(C)c1ccc2c(c1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)CO)C D229095
CCOC(=O)c1c(nc(c(c1c2ccccc2Cl)C(=O)OC)C)COCCN.C(=O)(C(=O)O)O D229100
C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C=O)O D229105
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C=C[C@H](C4)O)C D229110
CC(C)NC/C=C/Oc1ccc(cc1)COCCOC(C)C D229115
CN1CCC(=C2c3ccc(cc3C=Cc4c2nccc4)Cl)CC1 D229120
CC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C D229125
CN(CCCN1C=Cc2cc(c(cc2CC1=O)OC)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC D229135
[2H]C([2H])([2H])N(CCCN1C=Cc2cc(c(cc2CC1=O)OC)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC D229137
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4ccc(=O)[nH]c4c3.Cl D229150
[2H]C1(C(N(C(C(N1CCCCOc2ccc3ccc(=O)[nH]c3c2)([2H])[2H])([2H])[2H])c4cccc(c4Cl)Cl)([2H])[2H])[2H].Cl D229152
C[Si](C)(C1C[C@@H](C(=C)[C@@H]1CO)n2cnc3c2nc([nH]c3=O)N)O D229180
C[Si](C)(c1ccccc1)[C@H]2C[C@@H](C(=C)[C@@H]2CO)n3cnc4c3nc([nH]c4=O)N D229190
C(C([C@@H]1C(=O)C(=O)C(=O)O1)O)O D229250
[13CH2]([13CH]([13C@@H]1[13C](=O)[13C](=O)[13C](=O)O1)O)O D229252
CC(C)c1c(c(c(n1CC[C@H](C/C=C/C(=O)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 D229275
Cc1c(c(c(c(n1)C)C(=O)O[C@H]2CCN(C2)Cc3ccccc3)c4cccc(c4)[N+](=O)[O-])C(=O)OC D229290
CCCC1O[C@@H]2C=C3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C D229300
CCCC1O[C@@H]2CC3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)C=O)C)O)C D229305
[2H]C1(O[C@@H]2CC3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)C=O)C)O)C)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] D229307
COc1ccc2cc3c4cc5c(cc4cc[n+]3cc2c1O)OCO5.[Br-] D229315
CC(=C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O D229325
[2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(=C)C D229327
CCCC1=CC(N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl D229350
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C=C[C@@H]2O)OCc5ccccc5 D229400
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C D229455
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] D229457
CC(C)CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C D229470
[2H]C([2H])([2H])C([2H])(CC/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)C([2H])([2H])[2H] D229472
[2H]C([2H])([2H])C([2H])(C/C=C/[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C)C([2H])([2H])[2H] D229477
c1cc(=O)[nH]c2c1cc(cc2)OCCCCc3nnnn3C4CCCCC4 D229500
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])n2c(nnn2)CCCCOc3ccc4c(c3)ccc(=O)[nH]4)([2H])[2H])([2H])[2H])[2H] D229502
C[C@]12CCc3c4ccc(nc4ccc3[C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)O D229510
c1ccc(cc1)COc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@H]6C=CC5=O)C(=O)OCc7ccccc7 D229520
COc1cc2c(cc1OC)C=C(C2)CC3CCN(CC3)Cc4ccccc4 D229535
C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C D229555
[2H]C([2H])([2H])C(=CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] D229557
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)C=O)C)O)F)C D229565
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C=C[C@@H](C4)O)C D229575
COc1cccc2c1C(=O)c3c(c(c4cc(cc(c4c3O)O)C(=O)CO)O)C2=O D229580
CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=Cc4c3ccc(c4)O)C D229625
[2H][C@]1([C@]2(CCC3=C([C@@H]2CC1([2H])[2H])CCc4c3ccc(c4)O)C)O D229632
CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC=C3[C@H]2CCc4c3ccc(c4)O)C D229635
C[C@]12CCC3=C([C@@H]1CCC2=O)CCc4c3ccc(c4)O D229640
C[C@]12CCC3=C([C@@H]1CCC2=O)CCc4c3ccc(c4)OS(=O)(=O)[O-].[Na+] D229645
[2H]c1cc2c(c(c1OS(=O)(=O)[O-])[2H])CCC3=C2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C.[Na+] D229647
CCOC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OC)C)C D229650
[2H]C([2H])([2H])OC(=O)c1c(nc(c(c1c2cccc(c2Cl)Cl)C(=O)OCC)C)C D229652
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC=C4[C@@]3(C=CC(=O)N4)C D229655
Cc1cc2ccccc2n1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl D229660
[2H]C([2H])([2H])c1cc2ccccc2n1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl D229662
Cc1c(c(c(c(n1)C)C(=O)OC(C)C)c2cccc3c2non3)C(=O)OC D229665
Cc1c(c(c2c(n1)COC2=O)c3cccc4c3non4)C(=O)OC(C)C D229670
CCOC(=O)c1c(nc(c(c1c2ccccc2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C D229675
CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H](C/C=C/C(=O)[O-])O)C.[Na+] D229680
CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3CC=CC(=O)O3)C D229685
CCOC(=O)c1c(nc2c(c1c3cccc(c3Cl)Cl)C(=O)OC2)C D229690
CN(C)C(=O)C(CCN1CCC(=CC1)c2ccc(cc2)Cl)(c3ccccc3)c4ccccc4 D229695
CC(=O)N1CCN(C=C1)c2ccc(cc2)OC[C@H]3CO[C@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl D229700
[2H]c1c(c(nc(c1[2H])C([2H])(c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F)O)[2H])[2H] D229712
[2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O D229722
C[C@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O D229735
C[C@@H]1CC2=C(CC=C(C2)OC)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O D229740
C[C@H]1C(=O)O[C@@H]2CCn3c2c(cc3)COC(=O)[C@]([C@]1(C)O)(C)O D229750
Cc1c(c(c(c(n1)C)C(=O)OCCN(C)Cc2ccccc2)c3cccc(c3)[N+](=O)[O-])C(=O)OC.Cl D229780
Cc1c(c(c(c(n1)C)C(=O)OC)c2ccccc2[N+](=O)[O-])C(=O)OC D229800
[2H]C([2H])([2H])OC(=O)c1c(nc(c(c1c2ccccc2[N+](=O)[O-])C(=O)OC([2H])([2H])[2H])C)C D229802
Cc1c(c(c(c(n1)C)C(=O)OC)c2ccccc2N=O)C(=O)OC D229890
Cc1c(c(c(c(n1)C)C(=O)OCC(C)C)c2ccccc2[N+](=O)[O-])C(=O)OC D229900
[2H]C([2H])([2H])C([2H])(COC(=O)c1c(nc(c(c1c2ccccc2[N+](=O)[O-])C(=O)OC)C)C)C([2H])([2H])[2H] D229902
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@H]34)C)C#C D229905
c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)C#C/C=C/C(=O)O D229910
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O D229915
CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]2(C#C)O D229920
CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CCC3=C1CC[C@]2(C#C)O D229925
CC[C@@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4C3=CCC(=O)C4 D229930
CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O D229935
CC1=CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC D229940
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O D229945
c1ccc(c(c1)C2(CCC=CC2=O)N)Cl D229950
[2H]c1c(c(c(c(c1[2H])C2(CCC=CC2=O)N)Cl)[2H])[2H] D229952
CC1=COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O D229955
CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)O)C(=C)C D229960
CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)C(=O)OCc5c(oc(=O)o5)C)C(=C)C D229965
CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)OCc8c(oc(=O)o8)C)C(=C)C D229970
Cc1c(c(=O)n2cccc(c2n1)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F D229975
COc1ccc2cc3c4cc(c(cc4cc[n+]3cc2c1O)OC)OC.[Br-] D229985
c1ccc(cc1)/C(=C/C(=O)O)/N D229995
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C=CC4=CC(=O)C=C[C@]34C)O D230000
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C=CC4=CC(=O)C=C[C@]34C)O)C)O D230010
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C D230020
CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3C2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C D230030
CCCNCC(COc1ccccc1C(=O)/C=C/c2ccccc2)O.Cl D230040
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)/C=C/c2ccccc2)O)NCCC.Cl D230042
CC(=CC(CC(=O)O)CN)C D230050
CC(=CC([13CH2][13C](=O)O)[13CH2]N)C D230052
CC(=C)CC(CC(=O)O)CN D230055
CC(=C)C[13CH](CN)[13CH2][13C](=O)O D230057
C[N+]1=C(c2cc(c(cc2CC1)OC)O)Cc3ccc(c(c3)O)OC.[I-] D230065
[2H]C([2H])([2H])[N+]1=C(c2cc(c(cc2CC1)OC)O)Cc3ccc(c(c3)O)OC.[I-] D230067
CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C D230075
CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C D230100
CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C D230110
[2H]C([2H])([2H])C(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C=CCC1(C)C)C D230112
COc1ccc2c(c1)[nH]c3c2CC[N+]4=C3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC D230200
Cc1ccn2c(c1)nc-3c2/C/4=N/C(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@H]([C@@H]([C@H](/C=C/O[C@@]5(C(=O)c6c3c(c(c(c6O5)C)O)C4=O)C)OC)C)OC(=O)C)C)O)C)O)C)/C D230300
CN(C)CC1=C(CCCC1)c2cccc(c2)OC D230380
CN(C)CC1CCCC=C1c2cccc(c2)OC D230385
Cc1cc(c(c(c1Cc2[nH]ccn2)C)O)C(C)(C)C.Cl D230450
C1[C@H]([C@@H](C(=O)C=C1C(=O)O)O)O D230475
CC(=O)OCC(=O)[C@@]12[C@@H](C=C3[C@@]1(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)OC(O2)(C)C D230510
[2H]C([2H])([2H])C(c1ccc(cc1)C#CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)(C(=O)OC)C([2H])([2H])[2H] D230537
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3CC=CC(=O)O3)C D230545
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H](C/C=C/C(=O)[O-])O)C.[Na+] D230550
CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\CCCC(=O)O)O D230555
c1cc(c(c2c1nsn2)Nc3[nH]ccn3)Cl D230560
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C=CC5=CC(=O)C=C[C@@]53C)F)O D230565
C[C@]12C[C@@H]([C@]3([C@H](C1=C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@@]53C)F)O D230570
Cc1cc(cc2c1O[C@](C=C2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OC(=O)C D230575
CN(C)CC(c1ccc(cc1)OC)C2=CCCCC2 D230580
CC(=O)/C=C(\c1ccccc1)/c2c(c3ccccc3oc2=O)O D230585
[2H]c1c(c(c(c(c1[2H])[2H])/C(=C\C(=O)C)/c2c(c3ccccc3oc2=O)O)[2H])[2H] D230587
CCCCC(C)(C/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)OC)O D230590
c1ccc(cc1)C2c3cc(ccc3NC(=O)C(=O)N2)Cl D230595
CC(CCc1ccc(cc1)O)NCCc2ccc(cc2)O D230600
[2H]C([2H])([2H])C([2H])(C([2H])([2H])Cc1ccc(cc1)O)NCCc2ccc(cc2)O.Cl D230602
CN(C)CC(c1ccc(cc1)O)C2=CCCCC2 D230605
[2H]C([2H])([2H])N(CC(c1ccc(cc1)O)C2=CCCCC2)C([2H])([2H])[2H] D230607
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C=CCCC3=C)C D230610
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C=CCCC3=C)C)(C([2H])([2H])[2H])O D230612
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C/C=C/C(=O)O)O D230615
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C=C/C(CC(=O)O)O D230620
CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C D230625
CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C.CS(=O)(=O)O D230630
CC(C)(C)C(=C)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O)O4)CC7CC7)OC D230635
[2H]C1(C(C1([2H])c2c(c(c3ccccc3n2)c4ccc(cc4)F)/C=C/[C@@H]5CC=CC(=O)O5)([2H])[2H])[2H] D230642
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O D230645
Cc1cc(ccc1O)C(CNCCCCCCOCCCCc2ccccc2)O D230650
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)O D230655
[2H]C1=C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C=C(C2=C(C1=O)[2H])Cl)CC[C@@]4(C(=O)C([2H])([2H])[2H])O)C)C D230657
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)OC(=O)C D230665
c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Cl)Cl D230675
c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O.[Cl-] D230680
c1ccc(c(c1)C2=[N+](CC(=O)Nc3c2cc(cc3)Cl)[O-])Cl D230685
c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)O)O[C@H]4[C@H](C([C@@H](C(O4)CO)O)O)O.[Cl-] D230690
CC1([C@H]([C@H]1C(=O)O[C@@H](C#N)c2cccc(c2)Oc3ccccc3)C=C(Br)Br)C D230700
[2H]c1c(c(c(c(c1[2H])[2H])Oc2cccc(c2)C(C#N)OC(=O)C3C(C3(C)C)C=C(Br)Br)[2H])[2H] D230702
CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O.Cl D230725
[2H]C([2H])([2H])N([C@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O)C([2H])([2H])[2H].Cl D230727
CN(C)[C@@H]1[C@@H]2C[C@@H]3[C@@H](c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O D230730
CN[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)O)OC)OC)OC D230750
CN(CCc1ccccc1)CCc2ccccc2.Cl D230765
[2H]c1c(c(c(c(c1[2H])[2H])CCN(C)CCc2c(c(c(c(c2[2H])[2H])[2H])[2H])[2H])[2H])[2H].Cl D230767
CN[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC D230785
COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(cc2)O D230815
COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OCc4ccccc4)OC D230820
c1ccc(cc1)C2=[N+](CC(=Nc3c2cc(cc3)Cl)N)[O-] D230825
CNCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)Cl.Cl D230830
CNCCCN1c2ccccc2Sc3c1cc(cc3)Cl.Cl D230835
CNCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D230846
[2H]C([2H])([2H])NCCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D230848
CCSC(C)CC1CC(=C(C(=O)C1)/C(=N/OC/C=C/Cl)/C)O D230850
CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c3ccccc3.Cl D230860
[2H]C([2H])([2H])C([2H])([2H])OC(=O)[C@@H]1[C@H]2CC[C@H](N2)C[C@@H]1OC(=O)c3ccccc3.Cl D230862
COc1cc(ccc1O)/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)O)O D230865
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)O)OC D230880
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)O)OC D230882
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O D230885
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O D230887
CNC(CCOc1cccc2c1cccc2)c3ccccc3 D230890
[2H]C([2H])([2H])NC(CCOc1cccc2c1cccc2)c3ccccc3 D230892
CC(CNC)CN1c2ccccc2Sc3c1cc(cc3)C#N.C(=C\C(=O)O)\C(=O)O D230895
CC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)O)O)[C@H](C1)O)O D230900
CN[C@@H](CCOc1cccc2c1cccc2)c3ccccc3 D230910
CN[C@@H](CCOc1cccc2c1cccc2)c3ccccc3 D230915
C[C@H](Cc1ccccc1)NCC#C D230920
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](C)NCC#C)[2H])[2H] D230922
CC(C)(C)OC(=O)Nc1c(cnc(n1)NC(=O)OC(C)(C)C)Cc2cc(c(c(c2)OC)O)OC D230925
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)O)(C)O D230930
c1cc(ncc1Cl)N2[C@H](c3c(nccn3)C2=O)OC(=O)N4CCNCC4.Cl D230935
C[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 D230940
CC(C(=O)c1ccc2c(c1)OCO2)N.Cl D230945
[2H]C([2H])([2H])C(C(=O)c1ccc2c(c1)OCO2)N.Cl D230947
CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)NC)C)O D230950
[2H]C([2H])([2H])Nc1ccc(cc1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CC)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C D230952
Cc1c(ncc(c1OC)C(=O)OC)C D230955
Cc1c([n+](cc(c1OC)C(=O)OC)[O-])C D230960
Cc1cc2c(s1)Nc3ccccc3N=C2N4CCNCC4 D230970
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Nc4c2cc(s4)C)([2H])[2H])[2H] D230972
CC(c1ccccn1)C2=C(Cc3c2cccc3)CCNC D230980
[2H]C([2H])([2H])NCCC1=C(c2ccccc2C1)C(C)c3ccccn3.Br D230982
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC D230985
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D230990
COc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@@H](C5[C@@H]2C(=O)OC5)O)OCO4 D231000
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OS(=O)(=O)O)OC D231010
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OS(=O)(=O)O D231015
C[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C D231030
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C D231040
COc1ccc(cc1)CCNCC(c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O D231045
C[C@]1([C@H]2CC[C@H](C2)C1(C)C)NC=O D231055
C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)O D231070
C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)O)OC D231075
C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)O)OC)OC D231080
CNC(=O)Nc1ccc(c(c1)Cl)Cl D231120
CNC(=O)N[13c]1[13cH][13cH][13c]([13c]([13cH]1)Cl)Cl D231122
Cn1c(cc(=O)n(c1=O)C)NCCCN2CCN(CC2)c3ccccc3Cl D231125
[2H]C1(CN(CC(N1CCCNc2cc(=O)n(c(=O)n2C)C)([2H])[2H])c3ccccc3Cl)[2H] D231127
Cn1c(cc(=O)n(c1=O)C)NCCCN2CCN(CC2)c3ccc(cc3)OC D231130
[2H]C1(CN(CC(N1CCCNc2cc(=O)n(c(=O)n2C)C)([2H])[2H])c3ccc(cc3)OC)[2H] D231132
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C=O)O)(C)OC)C)C)O)(C)O D231135
Cc1c2c(n(n1)C)NC(=O)C(N=C2c3ccccc3F)O D231140
CC(C)(CCC[C@@](CC(=O)O)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O D231150
[2H][13C]([2H])([2H])OC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1OC(=O)[C@@](CCCC(C)(C)O)(CC(=O)O)O)OCO5 D231152
C[C@]1([C@H]2CC[C@H](C2)C1(C)C)N.Cl D231155
C[C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)N D231160
COc1cc(cc(c1OC)O)CCN D231165
Cc1nccn1CC2CCc3c(c4ccccc4[nH]3)C2=O D231170
COc1ccc(cc1O)Cc2c3cc(c(cc3ccn2)OC)OC D231190
COc1cc(ccc1O)Cc2c3cc(c(cc3ccn2)OC)OC D231195
COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)O)OC D231200
[2H]C([2H])([2H])Oc1cc2c(ccnc2Cc3ccc(c(c3)OC)OC)cc1O D231202
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc3ccnc(c3cc2OC)Cc4ccc(c(c4)OC)OC)C(=O)OC)OC(=O)C D231205
COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OC D231210
[2H]C([2H])([2H])Oc1cc2c(ccnc2Cc3ccc(c(c3)OC)OC)cc1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D231212
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)c4ccc(c(c4)c5[nH]c(=O)c6c(n5)c(nn6C)CCC)OCC)n(n1)C D231215
CC(CN1c2ccccc2Sc3c1cccc3)NC.Cl D231220
[2H]C([2H])([2H])NC(C)CN1c2ccccc2Sc3c1cccc3.Cl D231222
COc1ccc2cc(ccc2c1)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D231225
COc1ccc2cc(ccc2c1)CC(=O)OS(=O)(=O)O D231230
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)O)n(n1)C D231235
C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)O D231240
COc1cc[nH]c(=O)c1C#N D231245
CO[13c]1[13cH][13cH][nH]c(=O)c1C#N D231247
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/N5CCNCC5)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O D231250
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])/N=C/c2c3c(c4c(c2O)c5c(c(c4O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O)([2H])[2H])[2H] D231252
CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCOC)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)O)(C)O D231265
c1cc(cc(c1)F)COc2ccc(cc2Cl)Nc3c4cc(ccc4ncn3)c5ccc(o5)CN D231270
COc1cc(ccc1O)/C=C/C(=O)Nc2ccccc2C(=O)O D231280
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)nn1C D231290
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3O)S(=O)(=O)Cl)n(n1)C D231300
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D231305
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D231307
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)O)OC D231325
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O D231330
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O D231332
CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O D231335
[2H]C([2H])([2H])C(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)SC)OC)OC)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O D231337
CCC(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)NC.Cl D231340
[2H]C([2H])([2H])C([2H])([2H])C(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)NC.Cl D231342
CC(CNC)CN1c2ccccc2CCc3c1cccc3 D231350
COc1cc2c(cc1OCC3CCNCC3)ncnc2Nc4ccc(cc4F)Br D231355
[2H]C1(CC(CC(N1)([2H])[2H])COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br)[2H] D231357
CCOP(=O)(OCC)SCCSCC D231360
c1ccc(cc1)C2=[N+](CC(=O)Nc3c2cc(cc3)Cl)[O-] D231395
CCCCn1c2c(c(=O)n(c1=O)CCCC)n(cn2)CC(=O)C D231400
Cc1c2c(n(n1)C)NC(=O)CN=C2c3ccccc3F D231410
C1CCC(CC1)N(C(=O)NCCCl)N=O D231450
[2H]C([2H])(C([2H])([2H])Cl)NC(=O)N(C1CCCCC1)N=O D231452
Cc1ccc(cc1)C(=O)c2ccc(c(c2)O)O D231475
CC[C@@H]1[C@@]([C@@H]([C@H](NC[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O D231500
C[C@]12CC[C@@H]3c4ccc(cc4C([C@H]([C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)O)OC6CCCCO6 D231530
C[C@]12CC[C@@H]3c4ccc(cc4C(=O)[C@H]([C@H]3[C@@H]1CC[C@@H]2OC5CCCCO5)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)OC6CCCCO6 D231540
CC(C)(C)OC(=O)N1CCC(CC1)CC2=Cc3cc(c(cc3C2)OC)OC D231560
CN1CCC(=C2c3ccccc3C=Cc4c2ccs4)CC1 D231580
C[C@]12CCCC[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C)O D231600
C[C@]12CC[C@@H]3c4ccc(cc4C=C([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)O D231605
C[C@]12CCC=CC1=C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)CO D231610
C[C@]12CC[C@@H]3c4ccc(cc4C(=O)[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCSCCCC(C(F)(F)F)(F)F)O D231615
c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)N.O D231620
c1nc(c2c(n1)n(cn2)[13C@H]3[13CH2][13C@H]([13C@H](O3)CO)O)N.O D231622
c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@H](O3)CO)O)N D231625
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C4=C(COC4=O)CS3 D288390
CC(C)(C)OC(=O)N1CCC(CC1)CC2Cc3cc(c(cc3C2=O)OC)OC D288395
c1cc(c(cc1N)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O D288400
Cc1nn(c(=O)n1c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl)CCC(C)C D288790
c1ccc(cc1)[C@H]2CCC(CC2)C3=C(C(=O)c4c(cccc4)C3=O)O D288795
CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)NC(=O)CCl)O D288798
CS(=O)(=O)c1ccc(cc1)[C@@H]([C@H](CF)NC(=O)CCl)O D288799
c1ccc(cc1)SC(P(=O)(O)O)P(=O)(O)O D288800
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)O D288805
Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C(C)C D288810
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C)C([2H])([2H])[2H] D288812
[2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)O D289602
CCNCCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C D289650
C1C([C@H]([C@H](C(N1)CO)O)O)O.Cl D231750
C1[C@H]([C@@H]([C@H](OC1(C(=O)[O-])O)COP(=O)(O)[O-])O)O.[Na+].[Na+] D232050
C1CSC(SC1)C[C@H]([C@@H]([C@@H](CO)O)O)O D232085
[2H]C([2H])([2H])[C@@H]1[C@@H]([C@H](C(=O)O1)O)O D232092
C[C@H]1C([C@H]([C@@H](O1)O)O)O D232100
CCO[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@](O4)(CC3)C)C)C D232110
C[C@@H]1CC[C@H]2[C@H](C(=O)O[C@H]3C24[C@H]1CCC(O3)(O4)C)C D232150
[2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](OC1=O)O[C@](O4)(CC3)C)C D232152
c1ccc(cc1)C/C(=N\O)/c2ccccc2 D232250
c1ccc(cc1)C/C(=[15N]\O)/c2ccccc2 D232252
CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@H]2C(=O)O)n3cnc4c3ncnc4NCc5ccccc5)C D232300
CC(CC(=O)CNCCCNC(=O)C(C(C(C(O)O)O)O)O)C1CCC2C1([C@H](CC3C2CCC4C3(CC[C@H](C4)O)C)O)C D232500
CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CN[C@H](CC(=O)N)C(=O)O)C D232520
Cc1ccc2c(c1)C(=O)C3CCN(C3=N2)c4ccccc4 D232550
CN1CC[C@]23c4c5ccc(c4O[C@H]2CC=C[C@H]3[C@@H]1C5)OC D232560
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)COC(=O)C(C)(C)C)CCC4=CC(=O)CC[C@]34C D232580
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4([2H])C(=O)C([2H])([2H])OC(=O)C(C)(C)C)C)C D232582
[2H]C([2H])([2H])C(C(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H] D232583
CC(=O)N[C@@H]1[C@H](C[C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C D232585
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C D232590
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C D232592
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C D232595
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C D232600
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)C([2H])([2H])O)O)C)C D232602
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O D232605
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O D232610
c1cn(c(=O)nc1N)[C@H]2C[C@H]([C@H](O2)CO)O D232615
c1c[15n]([13c](=O)[15n]c1N)[C@H]2C[C@H]([C@H](O2)CO)O D232617
CC([C@]1(CCc2c(c(c3c(c2O)C(=O)c4c(cccc4OC)C3=O)O)C1)O)O D232620
[2H][13C]([2H])([2H])Oc1cccc2c1C(=O)c3c(c(c4c(c3O)CC[C@@](C4)(C(C)O)O)O)C2=O D232622
COc1cc2c(cc1OC)CC(C2)CC3CCN(CC3)Cc4ccccc4.Cl D232625
CCCCC(C)(C/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)OC)O D232630
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2nc([nH]c3=O)N)OC(=O)C D232635
c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])O.[Na+].[Na+] D232640
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3C2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C D232645
[2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C)([2H])[2H])O D232647
CN(C)CC(c1ccc(cc1)O)C2CCCCC2 D232650
[2H]C([2H])([2H])N(CC(c1ccc(cc1)O)C2CCCCC2)C([2H])([2H])[2H] D232652
c1ccc(cc1)C(=O)OC[C@@H]2C(C[C@@H](O2)O)OC(=O)c3ccccc3 D232660
c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 D232665
c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C(C(O2)[15n]3ccc([15n][13c]3=O)N)(F)F)OC(=O)c4ccccc4 D232667
c1cn(c(=O)nc1N)[C@H]2C[C@H]([C@H](O2)COP(=O)(O)O)O D232675
c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+] D232680
CC1C[C@@H](C([C@H](O1)O)OCc2ccccc2)OCc3ccccc3 D232700
c1ccc(cc1)C(=O)OC[C@H]2OC(=O)[C@@](C2OC(=O)c3ccccc3)(F)F D232775
c1ccc(cc1)C(=O)OC[C@H]2OC(=O)[C@@](C2OC(=O)c3ccccc3)(F)F D232776
c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C(C(O2)O)(F)F)OC(=O)c3ccccc3 D232785
CS(=O)(=O)OC1C([C@@H]([C@H](O1)COC(=O)c2ccccc2)OC(=O)c3ccccc3)(F)F D232790
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(CO)O)O)C D232800
CC1(OCC(O1)[C@@H]2[C@H](OC(O2)(C)C)CC3SCCCS3)C D232805
CC1(OCC(O1)[C@@H]2C[C@@H]3[C@H](O2)OC(O3)(C)C)C D232815
CCOC(=O)C([C@H]([C@H]1COC(O1)(C)C)OC(=O)c2ccccc2)(F)F D232820
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C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COCc4ccccc4)O)O)O)COCc5ccccc5)OC)NC(=O)C)OCc6ccccc6)OCc7ccccc7)OCc8ccccc8 D281810
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C1CC(C(=O)c2c1nc(s2)N)N D281910
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CN(C)CC(c1ccc(cc1)OC)C2CCCCC2 D288300
CC[C@@H]1C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC D288330
CC(=O)NC(CCc1ccc(cc1Cl)Sc2cccc(c2)O)(COC(=O)C)COC(=O)C D288350
CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5c3cccc5 D288360
CCC(CC)OC1C=C(C[C@@H]([C@H]1N)NC(=O)C)C(=O)OCC D288370
CCC(CC)OC1C=C(C[C@@H]([C@H]1N)NC(=O)C)C(=O)O D288375
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC5(O4)CCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@@]63C)F)O D288380
[2H]C1(CC2(CC1([2H])[2H])O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@]5([C@H](C[C@@]4([C@@]3(O2)C(=O)CO)C)O)F)C)[2H] D288382
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)O D288405
COc1c(cc2c(c1OC)-c3ccc(c(=O)cc3[C@H](CC2)NC=O)SC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O D288410
CCC(CC)O[C@H]1C=C(C[C@@H]([C@H]1N)N=[N+]=[N-])C(=O)OCC D288415
COc1c(cc2c(c1OC)-c3ccc(c(=O)cc3[C@H](CC2)N)SC)O D288420
C=C(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2 D288425
CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@H]7C(=O)OC)O)CC)C=O)C(=O)OC)O D288435
CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7C68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C)C(=O)OC)O.COS(=O)(=O)O D288440
CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)/C(=C/C)/C)(C4(C)C)O)O)C)O[Si](CC)(CC)CC)C)OC(=O)C D288445
COc1ccc(cc1)[C@H]2[C@H](C(=O)Nc3ccccc3S2)O D288450
[2H]C([2H])([2H])P(=O)(CCCC(=O)OCC)OCC D288457
[2H]C([2H])([2H])P(=O)(CCCC(=O)O)O D288462
COC(=O)[C@H](Cc1c[nH]cn1)Cl D288465
c1cc(c(c(c1)Cl)Cl)c2c(=O)nc([nH]n2)N D288470
Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)Cl)N)C)C#N D288475
C[C@H]1COc2c3n1ccc(=O)c3cc(c2N4CCN(CC4)C)F D288480
CC1=C2[C@@H](C(=O)[C@@]3(C=C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)c6ccccc6)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)C)OC(=O)C D288485
CC1=C2[C@@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]4[C@H](N(C(O4)(C)C)C(=O)OC(C)(C)C)c5ccccc5)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D288490
CC(C)[C@@H](C(=O)OCc1ccccc1)NCc2ccc(cc2)c3ccccc3c4[nH]nnn4 D288495
CN1CCC(=C2c3ccc(cc3CCc4c2nccc4)Br)CC1 D288500
c1c(nc(s1)N=C(N)N)CSCCC(=N)NC#N D288505
CC(C)[C@H](C(=O)O)NCc1ccc(cc1)c2ccccc2c3[nH]nnn3 D288510
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=C(C(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)C D288515
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)C)OC(=O)C D288520
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)OC)C)OC(=O)C D288525
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]4[C@H](O4)C5=CC(=O)[C@@H]6C[C@@H]6[C@]35C)C)OC(=O)C D288530
CC(C(=O)c1ccccc1Cl)NC(C)(C)C.Cl D288535
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1ccccc1Cl.Cl D288537
CCOc1cc(ccc1C(=O)NCC2CNCCO2)N D288540
CC(C(=O)c1ccccc1)NC(C)(C)C.Cl D288545
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(C)C(=O)c1ccccc1.Cl D288547
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Br)O)C)C)OC(=O)CC D288555
CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)OCc5ccccc5)CO D288560
CCN(CC)CCOc1ccc(cc1)/C(=C\c2ccc(cc2)Cl)/c3ccccc3 D288565
CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)N)CO[Si](C)(C)C(C)(C)C D288570
CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)OCc5ccccc5)CO[Si](C)(C)C(C)(C)C D288575
CO/N=C(\c1ccccc1Oc2c(c(=O)nc[nH]2)F)/C3=NOCCO3 D288580
[2H]C1(C(ON=C(O1)/C(=N/OC)/c2ccccc2Oc3c(c(=O)nc[nH]3)F)([2H])[2H])[2H] D288582
CN(C)CCc1ccc(cc1)OC D288590
[2H]C([2H])([2H])N(CCc1ccc(cc1)OC)C([2H])([2H])[2H] D288592
C[C@@H](Cc1ccccc1)N(C)CC#C.Cl D288595
[2H]C([2H])([2H])N(CC#C)[C@@H](C)Cc1ccccc1.Cl D288597
CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)O D288600
CCC(=O)OC(C(C)C)OP(=O)(CCCCc1ccccc1)CC(=O)O D288605
c1ccc(cc1)COc2ccc3c4c2O[C@@H]5[C@]46CCN([C@H](C3)[C@@]6([C@H](CC5=O)O)O)C(=O)OCc7ccccc7 D288610
COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@]5([C@H](CC4=O)O)O)C(=O)OC D288615
CCc1ccc(cc1)OCC(CNC(C)C)O.Cl D288620
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CC)O)NC(C)C.Cl D288622
CCCCOCCc1ccc(cc1)OCC(CNC(C)C)O D288625
c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4)[C@@H](O2)C(=O)C[C@@H]5O)O)O D288630
c1ccc(cc1)CCC(=O)c2ccccc2OCC(CO)O D288635
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)O D288637
[2H]C([2H])([2H])N(CC#C)C(C)Cc1ccccc1 D288640
C[C@H](Cc1ccccc1)N(C)CC#C.Cl D288641
C[C@H](Cc1ccccc1)[N+](C)(CC#C)[O-] D288645
[2H]C([2H])([2H])[N+](CC#C)([C@H](C)Cc1ccccc1)[O-] D288647
c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O D288650
c1ccc(cc1)CCC(=O)c2ccccc2OCC(CCl)O D288655
[2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)Oc1ccccc1C(=O)CCc2ccccc2 D288657
c1ccc(cc1)CCC(=O)c2ccccc2OCC(CN)O.C(=O)(C(=O)O)O D288660
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)N.C(=O)(C(=O)O)O D288662
c1cc(ccc1CC(=O)O)N D288665
[2H]c1c(c(c(c(c1CC(=O)O)[2H])[2H])N)[2H] D288667
c1ccnc(c1)C(c2ccc(cc2)O)c3ccc(cc3)O D288670
[2H]c1c(c(nc(c1[2H])C([2H])(c2c(c(c(c(c2[2H])[2H])O)[2H])[2H])c3c(c(c(c(c3[2H])[2H])O)[2H])[2H])[2H])[2H] D288672
CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)O)O)N)O.Cl D288675
COc1cccc2c1C(=O)c3c(c(c4cc(cc(c4c3O)O)O)O)C2=O D288680
[2H]C([2H])(C([2H])([2H])N(C)C)N1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC D288682
CN(C)CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC D288685
[2H]C([2H])([2H])N(C)CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC D288687
[2H]C([2H])([2H])N(CCN1c2ccccc2S[C@H]([C@H](C1=O)O)c3ccc(cc3)OC)C([2H])([2H])[2H] D288688
Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)Cl)Br)C)C#N D288690
Cc1cc(cc(c1O[13c]2[13c]([13c](nc(n2)Nc3ccc(cc3)C#N)Cl)Br)C)C#N D288692
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)CO D288695
[2H][C@]1([C@H]2[C@@H](CCC3=CC(=O)C=C[C@]23C)[C@@H]4C[C@@H]5[C@]([C@]4(C1([2H])[2H])C)(N=C(O5)C)C(=O)CO)O D288697
CNCCN1c2ccccc2SC(C(C1=O)O)c3ccc(cc3)OC D288698
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N\O)/CC[C@H]34 D288700
[2H]C\1=C2[C@](CC(/C1=N/O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)O)CC)[2H] D288702
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C.[Br-] D288705
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O D288710
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)O[C@H]3C[C@]4([C@H](C5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)O)C)OC(=O)c7ccccc7)O)O)[2H])[2H] D288712
CC(=O)O[C@@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCCCC5)C)C)[N+]6(CCCCC6)C.[Br-] D288715
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c(c3O)C=NN5CCN(CC5)C6CCCC6)/C)C)O)C)O)C)O)C)OC)C)O D288720
CC(=O)OCC(CCn1cnc2c1nc(nc2)N)CO D288725
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/N5CCN(CC5)C)\C)C)O)C)O)C)O)C)OC)C)O D288726
[2H]C([2H])([2H])N1CCN(CC1)/N=C/c2c3c(c4c(c2O)c5c(c(c4O)C)O[C@@](C5=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)O)C)OC)C)O D288727
CC[C@@]1(C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7C68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C)C(=O)OC)O D288728
CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C=O)C(=O)OC)O.COS(=O)(=O)O D288729
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCNCC)I.Cl D288731
[2H]C([2H])(C([2H])([2H])Oc1c(cc(cc1I)C(=O)c2c3ccccc3oc2CCCC)I)NCC.Cl D288733
CCNCCCC(C)Nc1ccnc2c1ccc(c2)Cl D288735
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])NCC D288737
c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCNCC4 D288740
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccccc3Sc4c2cccc4)([2H])[2H])[2H] D288742
CC[C@@]12C=CCN3[C@@H]1[C@@]4(CC3)c5ccc(cc5N([C@H]4[C@]([C@@H]2O)(C(=O)OC)O)C)OC D288745
CCn1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288750
[2H]C([2H])([2H])C([2H])([2H])n1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288752
CCn1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288755
[2H]C([2H])([2H])C([2H])([2H])n1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4O)C(=O)OC(C)OC(=O)OC6CCCCC6 D288757
c1ccc2c(c1)[C@@H](C[C@H](C2=O)O)c3ccc(c(c3)Cl)Cl D288760
c1cc(c(cc1C(F)(F)F)O)C(=O)O D288765
[13cH]1[13cH][13c]([13c]([13cH][13c]1C(F)(F)F)O)C(=O)O D288767
c1ccc(cc1)C(c2ccccc2)OC3CCNCC3 D288770
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCNCC3)[2H])[2H] D288772
COc1cc2c(cc1OC)C(=O)C(C2)CC3CCNCC3.Cl D288775
c1ccc(cc1)Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)N D288780
[2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)N)[2H])[2H] D288782
Cc1cccc(c1NC(=O)C2CCCCN2)C D288785
CC(C)c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)CO D288815
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)CO)C([2H])([2H])[2H] D288817
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)CN4CCNCC4)n(n1)C D288820
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CC(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] D288822
CCNCc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl.Cl D288826
[2H]C([2H])([2H])C([2H])([2H])NCc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl D288827
CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)O D288830
[2H]C([2H])([2H])O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)O D288832
C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)/C)OC)O)\C)C)O)OC D288835
C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)[15NH2])/C)OC)O)\C)C)O)OC D288837
CCN(CC)CC#CCOC(=O)C(c1ccccc1)(c2ccccc2)O D288840
Cc1c(c2cc(ccc2[nH]1)OC)CC(=O)O D288845
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2C(C(CC(O2)C)N(C)C)O)(C)O)C)C)C)O)(C)O D288850
[2H]C([2H])([2H])N1C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H]1C)O)(C)O)CC)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)O)C D288852
CC(OC(=O)c1cccc2c1n(c(=O)[nH]2)Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)OC(=O)OC6CCCCC6 D288855
CN(C)CCCNC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)CC=C D288860
[2H]C(=C([2H])C([2H])([2H])N1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)NCCCN(C)C)[2H] D288862
c1nc2c(nc(nc2n1[C@@H]3C[C@@H](C=C3)CO)N)N D288865
c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)C(=O)O D288870
CCCCc1c(c2cc(ccc2o1)NS(=O)(=O)C)C(=O)c3ccc(cc3)OCCCNCCCC.Cl D288875
[2H]C([2H])(C([2H])([2H])NCCCC)C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3cc(ccc3oc2CCCC)NS(=O)(=O)C.Cl D288877
c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)NCc3ccco3 D288880
c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCOCC(=O)O D288885
COc1ccccc1OCC(CO)OC(=O)N D288890
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1OC)OC(=O)N)O D288892
CCCCNCC(c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl)O D288895
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NCC(c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl)O D288897
COCCCN1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N D288900
[2H][13C]([2H])([2H])OCCCN1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N D288902
C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@H](C(=C(C4=O)C(=O)N)O)N)O)O)O)O D288905
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H](C(=O)C[C@H](O3)C)O)(C)O)C)C)C)O)(C)O D288910
CC(C)(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O)NC(=O)[C@H](C3CCCCC3)NC(=O)c4cnccn4 D288915
CCNCC(=O)Nc1c(ccc(c1C)Br)C D288920
CCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O D288925
[2H]c1c(c(c(c(c1[2H])[2H])Oc2c(cc(cc2S(=O)(=O)N)C(=O)O)NCCC)[2H])[2H] D288927
c1c2c(nc(n1)N)n(c(=O)[nH]2)CCC(CO)CO D288930
[2H]C([2H])(C(CO)CO)C([2H])([2H])n1c2c(cnc(n2)N)[nH]c1=O D288932
C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)Cl D288935
CCC(C(=O)O)N(CC)C(=O)/C=C/C D288940
CCC(C(=O)OCC)N(CC)C(=O)/C=C/C D288945
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2NC1=O)c3ccc(cc3)OC D288950
[2H]c1c(c(c(c(c1[2H])[2H])[C@@H](CCCl)Oc2ccc(cc2)C(F)(F)F)[2H])[2H] D288957
c1ccc(cc1)[C@H](CCCl)Oc2ccc(cc2)C(F)(F)F D288960
c1cc2c(cc1C[C@H]3COC(=O)N3)c(c[nH]2)CC(=O)O D288965
c1cnccc1SCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)[O-].[Na+] D288970
[2H]c1c(nc(c(c1SCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CO)C(=O)[O-])[2H])[2H])[2H].[Na+] D288972
CN(C)C(=O)Oc1cc(cc(c1)OC(=O)N(C)C)C(CO)O D288975
CCN(CC)CCOc1ccc(cc1)/C(=C\c2ccccc2)/c3ccccc3 D288980
[2H]c1c(c(c(c(c1[2H])[2H])/C=C(/c2ccccc2)\c3ccc(cc3)OCCN(CC)CC)[2H])[2H] D288982
CCSC(C)CC1CC(=C(C(=O)C1)C(=N)C=C)O D288985
CC(c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C)O D288990
Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)C D288995
C1CCN(CC1)c2c3c(c(nc(n3)NCCO)N4CCCCC4)nc(n2)N(CCO)CCO D289000
CC(=O)N(CC(CN(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)c2c(c(c(c(c2I)C(=O)NCC(CO)O)I)C(=O)N)I D289005
CC(=O)c1cc(cc(c1)OC(=O)N(C)C)OC(=O)N(C)C D289010
COc1cc(c(cc1C(=O)NCC(=O)O)Cl)N D289015
CCN(CC)CCOc1ccc(cc1)/C(=C\c2ccc(cc2)Cl)/c3ccc(cc3)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O D289020
CCC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C D289025
CC(C)(c1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)NC D289030
CCCCN(CCCC)CC(c1cc(cc2c1-c3ccc(cc3C2=O)Cl)Cl)O D289035
CCN(CC)CCOc1ccc(cc1)C(c2ccccc2)C(=O)c3ccccc3.Cl D289040
c1cc(c2c(c1O)C(=O)C3=C([C@]4([C@@H](C[C@@H]3[C@@H]2O)/C(=N/N)/C(=C(C4=O)C(=O)N)O)O)O)Cl D289045
CCN(Cc1ccccc1)C(=O)[C@@]2(C[C@@H]2C[NH3+])c3ccccc3.[Cl-] D289050
c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)O D289055
CCCCC(CC)CNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O D289060
CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OCC(=O)O)/c3csc(n3)N)SC1)C(=O)O D289065
CCCCCCOC(=O)NC(=N)c1ccc(cc1)NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)O)c4ccccn4 D289070
CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C#N)c5nc6ccccc6n5C)C D289075
[2H]C([2H])([2H])n1c2ccccc2nc1c3cc(c4c(c3)n(c(n4)CCC)Cc5ccc(cc5)c6ccccc6C#N)C D289077
COC(=O)Cc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3 D289080
c1cc2c(cc1C[C@H]3COC(=O)N3)c(c[nH]2)CC#N D289085
C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)/C(=N/O)/C(=C(C4=O)C(=O)N)O)O)O)O)O.Cl D289095
c1(nc(nc(n1)Cl)N)N D289100
[13c]1(n[13c](n[13c](n1)Cl)N)N D289102
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)C(=O)C(Br)Br D289110
c1cc(c(c(c1)Cl)Cl)NCCNCCCCOc2ccc3c(c2)NC(=O)CC3 D289125
c1c2c(cc(c1F)NCCN)n(cc(c2=O)C(=O)O)C3CC3.Cl D289150
[2H]C([2H])(C([2H])([2H])Nc1cc2c(cc1F)c(=O)c(cn2C3CC3)C(=O)O)N.Cl D289152
CCCC(c1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)O)I)OC D289200
c1cc(ccc1CC2C(=O)NC(=O)S2)Oc3ccc(cc3)CC4C(=O)NC(=O)S4 D289250
CC(CNc1c(cc2c(c1OC)n(cc(c2=O)C(=O)O)C3CC3)F)N D289300
C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N(CCN(C)C=O)C=O)F)C(=O)O D289330
[2H]C([2H])([2H])N(CCN(C=O)c1c(cc2c3c1OC[C@@H](n3cc(c2=O)C(=O)O)C)F)C=O D289332
C[C@H]1COc2c(c(cc3c2n1cc(c3=O)C(=O)O)F)NCCNC.Cl D289350
CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)NCCO D289360
CC1(c2cc(ccc2N=C(O1)N)Cl)c3ccccc3 D289370
[2H]c1c(c(c(c(c1[2H])[2H])C2(c3cc(ccc3N=C(O2)N)Cl)C)[2H])[2H] D289372
C[C@@H](C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)N[C@@H](CCc3ccccc3)C(=O)OC(C)C D289375
CCNCCNC(=O)c1cc(c(cc1OC)N)Cl D289385
CCNC(=O)C1(C[C@@H]1CN)c2ccccc2 D289400
[2H]C([2H])([2H])C([2H])([2H])NC(=O)[C@@]1(C[C@@H]1CN)c2ccccc2 D289402
CCNC(=O)[C@]1(C[C@H]1CN2C(=O)c3ccccc3C2=O)c4ccccc4 D289410
CCNCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289465
CCNCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289470
CCNCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289475
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(c2ccccc2)(C(=O)OCC#CCNCC)O)([2H])[2H])([2H])[2H])[2H].Cl D289477
[2H]C([2H])([2H])C([2H])([2H])NCC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O.Cl D289478
CCC(C)OC1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC D289490
CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCCC)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)n(n1)C D289495
[2H]C1([C@H](N[C@H](C(N1S(=O)(=O)c2ccc(c(c2)c3[nH]c4c(nn(c4c(=O)n3)C)CCC)OCCC)([2H])[2H])C)C)[2H] D289497
CCCN(CC)CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O D289500
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3O)S(=O)(=O)N4CCN(CC4)C)n(n1)C D289600
[2H]C([2H])([2H])C([2H])([2H])NCCNC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C D289652
Cc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC(C)OC(=O)OC9CCCCC9 D289745
CC(OC(=O)c1cccc2c1n(c(=O)[nH]2)Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)OC(=O)OC9CCCCC9 D289750
CC(=O)[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)OC(=O)C D289765
CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)/C=C/C)O D289780
CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC=C)O D289785
CC/C(=N\OC/C=C\Cl)/C1=C(CC(CC1=O)CC=C)O D289790
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)C=C D289830
CC(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)O)CCCN(C(=O)C)O)O D289850
C[C@@H](c1ccncn1)[C@](Cn2cncn2)(c3ccc(cc3F)F)O D289870
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSCC(=O)N)C(=O)O D289900
c1cc2c(nc1)C3(c4ccc(cc4CC2)Cl)C5(O3)CCNCC5 D290275
CCNC(=O)C1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@H](Cc7cnc[nH]7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O D290290
COc1cc(cc(c1OC)Br)Cc2cnc(nc2N)N D290310
[2H]C([2H])([2H])Oc1c(cc(cc1Br)Cc2cnc(nc2N)N)OC D290312
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F)([2H])[2H])[2H] D291657
CCC(CO)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O D291660
c1ccc(cc1)S(=O)(=O)CCc2ccc3c(c2)c(c[nH]3)C[C@H]4CCCN4.Cl D291665
CN(CC/C=C/1\c2ccccc2COc3c1cccc3)C=O D291670
c1cc(c(cc1Nc2c3cc(c(cc3ncn2)O)OCCCN4CCOCC4)Cl)F D291680
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)S(=O)(=O)c4ccc(cc4)C)O)(C)O)C)C)C)O)(C)O D291700
C[C@H](CO)c1cc(c(c(c1CO)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C.[Na+] D291725
[2H]C([2H])([2H])C(c1c(c(c(c(n1)[C@H](C)CO)CO)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C([2H])([2H])[2H].[Na+] D291727
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)CC(C)(C)O)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O D291735
CNCCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)O.Cl D291745
CCCCCNCCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+] D291755
CC(=CCc1c(cc(c2c1oc(c(c2=O)O)c3ccc(cc3)O)O)O)C D291760
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSSC[C@@H](C(=O)O)N)C(=O)O D289905
[2H]C([2H])([2H])O/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSSC[C@@H](C(=O)O)N)C(=O)O D289907
CCCCCCCCCCC[C@@H](C[C@@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC(=O)C D289915
COCCCCC(=O)c1ccc(cc1)C(F)F D289925
CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N[C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)O)CC)C(=O)OC)O D289930
c1ccc(cc1)N2[C@@H]([C@H](C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O D289945
CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCNCC4)C D289950
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(nc(n4n3)CCC)C)OCC)([2H])[2H])[2H] D289952
CC(CS(=O)(=O)c1ccccc1)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O D289955
CCOc1cc(c(cc1C(=O)NCC2CNCCO2)Cl)N D289960
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(c(cc1C(=O)NCC2CNCCO2)Cl)N D289962
CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccccc3.C(=O)(C(=O)O)O D289965
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)O D289970
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)F D289975
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CS)C(=O)O D289980
CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CS)C(=O)O D289982
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccc(cc5on4)OC D289985
CC(CS(=O)(=O)c1ccc(cc1)F)C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N D289990
Cc1cc([nH]c(=O)c1)C2CCCCC2 D289995
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])c2cc(cc(=O)[nH]2)C)([2H])[2H])([2H])[2H])[2H] D289997
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCNCC4)Cl D290000
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cc(nc(n2)C)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)C)([2H])[2H])[2H] D290002
c1cc(c2c(c1N)C(=O)c3c(ccc(c3C2=O)O)O)NCCNCCO D290005
CN(C)CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccccc3.C(=O)(C(=O)O)O D290010
[2H]C([2H])([2H])N(CCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccccc3)C([2H])([2H])[2H].C(=O)(C(=O)O)O D290012
CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)Cl)Cl D290015
CCCCc1nc(cn1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)Cl.C(=O)(C(F)(F)F)O D290020
CC(=O)O[C@@H]1C=C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OCc5ccccc5)C D290025
CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(C(CCC)c8nc(c(n8Cc9ccc(cc9)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C=O)Cl)O)Cl D290030
COC(=O)c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O D290040
CNCCCN1c2ccccc2CCc3c1cccc3.Cl D290050
[2H]c1cc(c2c(c1)CCc3cc(cc(c3N2CCCNC)[2H])[2H])[2H].Cl D290052
[2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1cccc3 D290053
c1ccc2c(c1)[nH]c(=O)n2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)N5CCC(=CC5)n6c7ccccc7[nH]c6=O D290060
[2H]c1c(c(c2c(c1[2H])[nH]c(=O)n2C3=CCN(CC3)c4ccc(cc4)C(=O)CCCN5CCC(=CC5)n6c7ccccc7[nH]c6=O)[2H])[2H] D290062
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)c4c5ccccc5on4 D290065
CCCN1CCC2(CC1)NC3=C4C(=O)c5c(c6c(c(c5O)C)O[C@@](C6=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)N4)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C3=N2 D290080
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O D290100
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C2O[C@@H]3C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@@]6([C@H]5[C@H](C[C@@]4([C@@]3(O2)C(=O)CO)C)O)C)([2H])[2H])([2H])[2H])[2H] D290102
CC(C)NCC(COc1ccc(cc1)CO)O D290125
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CO)O)NC(C)C D290127
CC(C)NCC(COc1ccc(cc1)COCOCCOC(C)C)O D290130
CC(C)OCCOCc1ccc(cc1)OCC(CNC=O)O D290135
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CO)O D290140
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)C)NC(=O)CCC)O)O D290142
c1cc(ccc1CC(=O)N)OCC(CO)O D290145
CCNc1nc(nc(n1)Cl)N D290150
[2H]C([2H])([2H])C([2H])([2H])Nc1nc(nc(n1)Cl)N D290152
CC(C)NCCC(c1ccccc1)(c2ccccn2)C(=O)N.C(=O)(C(=O)O)O D290160
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)(c2ccccn2)C(=O)N.C(=O)(C(=O)O)O D290162
CC1(O[C@@H]2CO[C@@]([C@H]([C@@H]2O1)O)(COS(=O)(=O)N)O)C D290170
CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)COS(=O)(=O)N)O)O)C D290175
CCOCCOCc1ccc(cc1)OCC(CNC(C)C)O D290180
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)COCCOCC)O D290182
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(CNCC)O D290185
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)C)NC(=O)CCC)O)NCC D290187
CC(C)NCC(COc1ccc(cc1)COCCOC)O D290190
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)COCCOC)O D290192
CCOc1cc(ccc1C(=O)O)CC(=O)NC(Cc2ccccc2)c3ccccc3N4CCCCC4 D290195
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)O)CC(=O)NC(Cc2ccccc2)c3ccccc3N4CCCCC4 D290197
CC(C)CC(CCNC(C)C)(c1ccccn1)C(=O)N D290200
CC(C)[C@@H]1C(=O)N(C(=O)N1)[C@@H](Cc2ccccc2)C[C@H]3[C@@H](N(C(=O)O3)C(=O)OCc4cncs4)Cc5ccccc5 D290205
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)NC D290210
CC(C)[C@@H]1C(=O)N(C(=O)N1)[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O D290215
c1cc2c3c(c1)[nH]c(=O)n3CC[C@H]([C@@H]2O)N.Cl D290220
Cc1ccc(c(c1)C(CCNC(C)C)c2ccccc2)O D290225
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)C D290227
Cc1ccc(c(c1)C(CCNC(C)C)c2ccccc2)OC D290230
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2OC)C D290232
CC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](C(=O)O)Cc2ccccc2 D290235
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H](NC(=O)[C@H]2CC[C@@H](CC2)CC)C(=O)O)[2H])[2H] D290237
COCCc1ccc(cc1)OCC(CN)O D290240
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CCOC)O)N D290242
CCc1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O D290245
c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2)Cl D290250
[2H]C1(CC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC(N1)([2H])[2H])[2H] D290252
[2H]c1ccc2c(n1)C(=C3C(C(NC(C3[2H])([2H])[2H])([2H])[2H])[2H])c4ccc(cc4C(C2[2H])[2H])Cl D290253
c1cc2c([n+](c1)[O-])C(=C3CCNCC3)c4ccc(cc4CC2)Cl D290260
[2H]c1ccc2c([n+]1[O-])C(=C3CCNCC3)c4ccc(cc4CC2)Cl D290262
c1cc2c(nc1)C(=C3CCN(CC3)O)c4ccc(cc4CC2)Cl D290265
c1cc2c(nc1)C(=C3CCN(CC3)Cc4cc(cnc4)CN5CCC(=C6c7ccc(cc7CCc8c6nccc8)Cl)CC5)c9ccc(cc9CC2)Cl D290270
[2H]C1(CC(=C2c3ccc(cc3CCc4c2nccc4)Cl)CC(N1Cc5cc(cnc5)CN6C(CC(=C7c8ccc(cc8CCc9c7nccc9)Cl)CC6([2H])[2H])([2H])[2H])([2H])[2H])[2H] D290272
C.c1ccc(cc1)C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)N)O)N D290320
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)N)O)N)[2H])[2H] D290322
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)OC(C)(C)C)O D290330
[2H]c1c(c(c(c(c1[2H])[2H])C[C@@H]([C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)OC(C)(C)C)O)NC(=O)OC(C)(C)C)[2H])[2H] D290332
COCC(=O)Nc1cc(ccc1NC(=N)NC(=O)OC)Sc2ccccc2 D290350
Cc1cnc(c(c1Cl)C)CS(=O)c2[nH]c3ccc(cc3n2)OC D290390
Cc1cnc(c(c1Cl)C)CSc2[nH]c3ccc(cc3n2)OC D290400
CC(C)[C@@H](CO)n1cc(c(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)F)C(=O)O D290410
CCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F D290425
CC1CN(CCN1)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O.C(=O)(C(F)(F)F)O D290450
CC(=O)Nc1c(c(c(c(c1I)C(=O)N(C)CC(CO)O)I)C(=O)NCC(CO)O)I D290475
Cc1cnc(c(c1[N+](=O)[O-])C)CS(=O)c2[nH]c3ccc(cc3n2)OC D290500
Cc1cnc(c(c1[N+](=O)[O-])C)CSc2[nH]c3ccc(cc3n2)OC D290510
Cc1cnc(c(c1[N+](=O)[O-])C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC D290515
Cc1cc(c(nc1)CS(=O)c2[nH]c3ccc(cc3n2)OC)C D290560
[2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)S(=O)Cc3c(cc(cn3)C)C D290562
Cc1cc(c(nc1)CSc2[nH]c3ccc(cc3n2)OC)C D290565
[2H]C([2H])([2H])Oc1ccc2c(c1)nc([nH]2)SCc3c(cc(cn3)C)C D290567
Cc1c(ccnc1CS(=O)(=O)c2[nH]c3ccccc3n2)Cl D290595
Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)Cl D290600
Cc1c(ccnc1CSc2[nH]c3ccccc3n2)Cl D290605
Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)OC D290610
Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)SC D290620
Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3)O)C D290640
[2H]c1c(c(c(c(c1[2H])[2H])OCC(CN2CCN(CC2)CC(=O)Nc3c(cccc3C)C)O)[2H])[2H] D290642
COc1cc(oc(=O)c1)/C=C/c2ccccc2 D290670
c1c2c(cc(c1)c3cc(c(cc3)O)C45C[C@H]6C[C@@H](C4)C[C@@H](C5)C6)ccc(c2)C(=O)O D290680
CC(C)[C@@H](Cc1ccc(c(c1)OCCC(=O)O)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N D290685
CC(C)[C@@H](Cc1ccc(c(c1)OCCCO)OC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl D290690
c1ccc2c(c1)c(c3ccccc3n2)C(=O)Oc4ccc(cc4)CCC(=O)ON5C(=O)CCC5=O D290700
CC(=O)Oc1ccc(cc1)[C@H]2[C@H](C(=O)N(c3ccccc3S2)CCN(C)C)OC(=O)C D290705
CS(=O)(=O)OCC/C=C\1/c2ccccc2CC(c3c1cccc3)OS(=O)(=O)C D290710
CS(=O)(=O)OCC/C=C\1/c2ccccc2CC(c3c1cccc3)O D290715
CNCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3 D290720
[2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3 D290722
CNCCN1C(=O)c2cccc3c2c(cc(c3)N)C1=O D290725
[2H]C([2H])([2H])NC([2H])([2H])CN1C(=O)c2cccc3c2c(cc(c3)N)C1=O D290727
CC(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 D290730
[2H]C([2H])([2H])C(C#N)c1cc(cc(c1)C(C)(C)C#N)Cn2cncn2 D290732
c1ccc2c(c1)[C@@H]3CNC[C@H]3c4cc(ccc4O2)Cl.Cl D290740
[2H]C1([C@H]2c3ccccc3Oc4ccc(cc4[C@@H]2C(N1)([2H])[2H])Cl)[2H].Cl D290742
c1ccc2c(c1)nc(n2Cc3ccc(cc3)F)NC4CCN(CC4)CCc5ccc(cc5)O D290750
Cc1ccccc1OC(CCN)c2ccccc2.Cl D290825
[2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])OC(CCN)c2ccccc2)[2H])[2H].Cl D290827
c1ccc2c(c1)c(nn(c2=O)C3CCCNCC3)Cc4ccc(cc4)Cl D290950
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)O)C)C)C)O)(C)O D291000
c1cc(ccc1c2nc3cc(ccc3o2)CC(=O)O)Cl D291010
COC(=O)Cc1ccc2c(c1)nc(o2)c3ccc(cc3)Cl D291015
CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)C(=O)O)C D291020
CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OCc2ccccc2)(C#N)c3ccc(c(c3)OC)OC D291050
CNCCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)OCc4ccccc4.Cl D291080
C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=O)O[Si](C)(C)C(C)(C)C)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)C)OC)OC D291120
Cc1cc2c(cc1C(=O)c3ccc(cc3)C(=O)OC)C(CCC2(C)C)(C)C D291135
Cc1cc2c(cc1C(=O)c3ccc(cc3)C(=O)OC)C(CCC2([13CH3])[13CH3])([13CH3])[13CH3] D291137
c1cc(cc(c1)O)[C@@]2(CCCC[C@H]2CN)O D291150
c1cc(cc(c1)O)[C@]2(CCCC[C@@H]2CN)O D291155
C1COc2c1c(c3c(c2Br)CCO3)CCN.Cl D291170
[2H]C([2H])(c1c2c(c(c3c1OCC3)Br)OCC2)C([2H])([2H])N.Cl D291172
c1c(cc(c(c1C(F)(F)F)Nc2c(cc(cc2Br)Br)Br)[N+](=O)[O-])[N+](=O)[O-] D291200
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4O D291275
CC(C)(C)C(C)([C@H]1CC23CCC1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)O)O4)CC7CC7)O)O D291290
CC(C)(C#C/C=C/CNCc1cccc2c1cccc2)C(=O)O D291405
[2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC/C=C/C#CC(C)(C)C(=O)O)[2H])[2H] D291407
[2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC/C=C/C#CC(C)(C)C(=O)OC)[2H])[2H] D291412
c1ccc2c(c1)c3c([nH]2)cccc3OCC(CNCCOc4ccccc4O)O D291475
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1c3ccccc3[nH]2)O)NCCOc4ccccc4O D291477
c1ccc2c(c1)c3c([nH]2)cccc3OC[C@@H](CNCCOc4ccccc4O)O D291480
c1ccc2c(c1)c3c([nH]2)cccc3OC[C@H](CNCCOc4ccccc4O)O D291485
CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D291500
[2H]C([2H])(C)N1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D291502
CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D291520
CC(C)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)CO.[Na+] D291530
c1ccc(cc1)N2c3cc(ccc3NC(=O)CC2=O)Cl D291540
[2H]c1c(c(c(c(c1[2H])[2H])N2c3cc(ccc3NC(=O)CC2=O)Cl)[2H])[2H] D291542
CNCCC(c1ccc(cc1)Cl)c2ccccn2.C(=C\C(=O)O)\C(=O)O D291550
CC(C)(C)OC(=O)N(C)CCC=C1c2ccccc2C=Cc3c1cccc3 D291555
CNCCC=C1c2ccccc2C=Cc3c1cccc3.Cl D291560
CNCCC[C@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D291565
CNCCC[C@@]1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F.Cl D291571
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC)O)(C)OC)C)C)O)(C)O D291575
CNCCCN1c2ccccc2CCc3c1cc(cc3)Cl.Cl D291580
[2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1cc(cc3)Cl.Cl D291582
c1c2c(cc(c1F)N3C[C@@H]4C[C@H]3CN4)n(cc(c2=O)C(=O)O)C5CC5 D291585
c1cc2c(cc1O)C34CCCCC3C(C2)NCC4.Br D291590
[2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3)[2H])O)[2H] D291592
c1ccc(cc1)C2=NCC(=O)Nc3c2cc(cc3)Cl D291595
[2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)Nc3c2cc(cc3)Cl)[2H])[2H] D291597
c1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C45CCCCC4C(C2)NCC5 D291600
[2H]c1c(c(c(c2c1CC3C4C2(CCCC4)CCN3)[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H] D291602
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN(C)C)c3ccc(cc3)O.Cl D291605
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCNC)c3ccc(cc3)OC.Cl D291610
[2H]C([2H])([2H])NCCN1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC.Cl D291612
[2H]C([2H])(C([2H])([2H])N1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC)NC.Cl D291613
CCOC(=O)N1CCC23CCCCC2C1Cc4c3cc(cc4)O D291615
Cc1c(c2cc(ccc2[nH]1)O)CC(=O)O D291620
c1cc2c(c(c1)F)c(c(c(=O)[nH]2)c3[nH]c4cc(ccc4n3)N5CCNCC5)N D291625
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc3c(c2)[nH]c(n3)c4c(c5c(cccc5F)[nH]c4=O)N)([2H])[2H])[2H] D291627
c1cc(ccc1/C(=N/OCCN)/CCCCO)C(F)(F)F D291630
c1cc(ccc1/C(=N/OCCN)/CCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(F)(F)F D291633
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C=O)O)(C)O)C)C)C)O)(C)O D291635
c1cc(ccc1c2ccc(=N)n(n2)CCCC(=O)O)O D291640
c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc(c(c3)O)O)F.Cl D291645
CC1CN(CCN1)c2c(cc3c(c2O)n(cc(c3=O)C(=O)O)C4CC4)F D291650
COc1c2c(cc(c1N3CCNCC3)F)c(=O)c(cn2C4CC4)C(=O)O D291655
CC(=CCc1c(cc(c2c1oc(c(c2=O)OCOC)c3ccc(cc3)OCOC)O)OCOC)C D291770
CNCCOC(c1ccccc1)c2ccccc2.Cl D291780
[2H]C([2H])([2H])NCCOC(c1ccccc1)c2ccccc2.Cl D291782
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)O)CC(=O)O D291800
[2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)O)CC(=O)O)C)[2H])[2H])Cl)[2H] D291802
CC(C)c1[nH]c(cn1)[N+](=O)[O-] D291820
c1ccc(cc1)C(=O)c2cccc(c2)CC(=O)O D291830
CC(=O)N[C@@H](CO)C(=O)NCc1ccccc1 D291835
c1ccc2c(c1)[C@@H](CC[C@@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292101
[2H][C@]1(CC([C@](c2c1cccc2)([2H])N)([2H])[2H])c3ccc(c(c3)Cl)Cl.CCCNC1CCc2c(sc(n2)CC3c4c(nc(s4)N)CCC3NCCC)C1.Cl D292103
c1ccc2c(c1)[C@@H](CC[C@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292105
c1ccc2c(c1)[C@H](CC[C@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292106
c1ccc2c(c1)[C@H](CC[C@@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292110
c1ccc2c(c1)[C@@H](CC[C@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292115
Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3ccc(cc3n2)O D292120
[2H]C([2H])([2H])Oc1c(cnc(c1C)CS(=O)c2[nH]c3ccc(cc3n2)O)C D292122
C[C@H](c1ccc2cc(ccc2c1)O)C(=O)O D292124
C[C@@H](c1ccc2cc(ccc2c1)O)C(=O)O D292125
[2H]C([2H])([2H])C(c1ccc2cc(ccc2c1)O)C(=O)O D292127
c1ccc2c(c1)C(=O)Nc3cccnc3N2C(=O)CN4CCNCC4 D292130
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CC(=O)N2c3ccccc3C(=O)Nc4c2nccc4)([2H])[2H])[2H] D292132
Cc1cnc(c(c1OC)C)CSc2[nH]c3ccc(cc3n2)O D292135
[2H]C([2H])([2H])Oc1c(cnc(c1C)CSc2[nH]c3ccc(cc3n2)O)C D292137
C=C[C@H]1CN2CCC1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)O)O D292140
C=C[C@H]1CN2CCC1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)O)O D292145
Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3O)O)C D292150
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1O)O)N2CCN(CC2)CC(=O)Nc3c(cccc3C)C D292152
CNC(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4 D291840
[2H]C([2H])([2H])NC(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)(c3ccccc3)c4ccccc4 D291842
Cc1ccc(c(c1NC(=O)C2CCCCN2)C)O D291845
COC(=O)Cc1cccc(c1)C(=O)c2ccccc2 D291850
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccc(cc3)O D291865
[2H]C([2H])([2H])NCCOc1ccc(cc1)/C(=C(/CC)\c2ccc(cc2)O)/c3ccccc3 D291867
CCN(CCCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)C(C)Cc2ccc(cc2)O D291880
CCN(CCCC(=O)O)C(C)Cc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O D291885
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)Cc6ccc(cc6)C(=O)Nc7ccc(c(c7)Nc8nccc(n8)c9cccnc9)C D291890
COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)C5C=CC4=O)C(=O)OC D291900
COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@H]5C=C[C@@H]4O)C(=O)OC D291910
COc1cc(cc(c1OC)OC)CC2=NCCc3c2cc(c(c3)OC)OC D291920
Cc1c(con1)C(=O)Nc2ccc(cc2)C(F)(F)F D291935
Cc1[nH]c(c(c(=O)n1)NC2=NCCN2)Cl D291940
CNCc1nc(cs1)CSCCN/C(=C/[N+](=O)[O-])/NC D291945
CCCC(C(=O)c1ccccc1)N2CCCC2.Cl D291955
[2H]C1(C(C(N(C1([2H])[2H])C(CCC)C(=O)c2ccccc2)([2H])[2H])([2H])[2H])[2H] D291957
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)OC3c4cc5c(cc4[C@H]([C@@H]6C3COC6=O)c7cc(c(c(c7)OC)O)O)OCO5)O)O D291970
CO[C@@H]1CN(CC[C@H]1NC(=O)c2cc(c(cc2O)N)Cl)CCCOc3ccc(cc3)F D291985
CN1CC(=O)N2[C@@H](C1=O)Cc3c4ccccc4[nH]c3[C@H]2c5ccc(c(c5)O)O D291990
c1ccc2c(c1)C(=Nc3cc(ccc3N2)Cl)N4CCNCC4 D292000
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3cc(ccc3Nc4c2cccc4)Cl)([2H])[2H])[2H] D292002
CN(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)OC D292005
[2H]C([2H])([2H])N([C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)OC)C([2H])([2H])[2H] D292007
COc1cc2c(cc1O)CC(C2=O)CC3CCN(CC3)Cc4ccccc4 D292010
[2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)CC3Cc4cc(c(cc4C3=O)OC)O)[2H])[2H] D292012
COc1cc2c(cc1O)C(=O)C(C2)CC3CCN(CC3)Cc4ccccc4 D292015
[2H]c1c(c(c(c(c1[2H])[2H])CN2CCC(CC2)CC3Cc4cc(c(cc4C3=O)O)OC)[2H])[2H] D292017
COc1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)C(C2)CC4CCN(CC4)Cc5ccccc5 D292018
CC(=O)OCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C D292020
CC/C(=C(/c1ccc(cc1)OCCNC)\c2cccc(c2)O)/c3ccccc3 D292025
[2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCNC)\c2cccc(c2)O)/c3ccccc3 D292027
CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4O)C1)O D292030
CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C1)O D292033
COc1ccc2c3c1O[C@@H]4[C@@]3(CCNC2)C=C[C@@H](C4)O D292035
[2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CCNC2)C=C[C@@H](C4)O D292037
CN1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4[nH]n3 D292038
Cn1c2ccccc2c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4 D292040
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccc(cc3)O D292041
CC/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 D292042
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 D292043
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 D292044
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCNCC5 D292045
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])Cc2ccc(cc2)C(=O)Nc3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C)([2H])[2H])[2H] D292047
C[C@H]1COc2c3n1cc(c(=O)c3cc(c2N4CCNCC4)F)C(=O)O.Cl D292050
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c4c2OC[C@@H](n4cc(c3=O)C(=O)O)C)F)([2H])[2H])[2H].Cl D292052
CCN(CCCC(=O)O)C(C)Cc1ccc(cc1)O D292055
[2H]C([2H])([2H])C([2H])([2H])N(CCCC(=O)O)C(C)Cc1ccc(cc1)O D292057
CCC1(C(=O)NC(=O)N1)c2ccccc2 D292060
[2H]c1c(c(c(c(c1[2H])[2H])C2(C(=O)NC(=O)N2)CC)[2H])[2H] D292062
CC[C@]1(C(=O)NC(=O)N1)c2ccccc2 D292065
CCNCC(COc1ccc(cc1)CCOC)O D292068
CC[C@@]1(C(=O)NC(=O)N1)c2ccccc2 D292070
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)CCO)O)NC(C)C D292072
CC(C)NCC(COc1ccc(cc1)CCO)O D292073
c1ccc2c(c1)Cc3cccnc3N4C2CNCC4.Cl D292074
Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O)C(=O)OC2 D292076
[2H]C1(C(N2c3c(cccn3)Cc4ccccc4C2CN1)([2H])[2H])[2H].Cl D292077
Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)O)O)C(=O)OC2 D292078
Cc1c2c(c(c(c1O)C/C=C(\C)/CCC(=O)OC)O)C(=O)OC2 D292080
[2H]C([2H])([2H])OC(=O)CC/C(=C/Cc1c(c(c2c(c1O)C(=O)OC2)C)O)/C D292082
Cn1c(c2ccccc2n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C D292085
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cc(cc4)Cl)([2H])[2H])[2H] D292087
c1ccc2c(c1)N(c3cc(ccc3S2)Cl)CCCN4CCNCC4 D292088
CC(C)c1c(c(nc(n1)[N-]S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.O.[Na+].[Na+] D292090
[2H]C([2H])([2H])C(c1c(c(nc(n1)[N-]S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C([2H])([2H])[2H].[Na+].[Na+] D292092
CCN(CC)CCNC(=O)c1cc(c(cc1O)N)Cl.Cl D292095
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c4c2OCC(n4cc(c3=O)C(=O)O)C)F)([2H])[2H])[2H].Cl D292097
CC1COc2c3n1cc(c(=O)c3cc(c2N4CCNCC4)F)C(=O)O.Cl D292098
c1ccc2c(c1)[C@@H](CC[C@@H]2N)c3ccc(c(c3)Cl)Cl.Cl D292100
Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(COc3ccccc3O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)O)C D292155
CNCc1ccc(o1)CSCCN/C(=C/[N+](=O)[O-])/NC D292160
c1ccnc(c1)NCCOc2ccc(cc2)CC3C(=O)NC(=O)S3 D292165
[2H]c1c(c(c(c(c1CC2C(=O)NC(=O)S2)[2H])[2H])OCCNc3ccccn3)[2H] D292167
CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)NC.Cl D292170
[2H]C1(C(C(C1([2H])[2H])(c2ccc(cc2)Cl)C(CC(C)C)NC)([2H])[2H])[2H].Cl D292172
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc(c2O)c5c3nc6n5cccc6)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O D292175
[2H]c1c(c(n2c3c(c4c5c(c(c6c4C(=O)[C@](O6)(O/C=C/[C@@H]([C@H]([C@@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(\C(=O)Nc3c5O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)nc2c1[2H])[2H])[2H] D292177
c1ccc2c(c1)N(c3ccccc3S2)CCCN4CCNCC4 D292180
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cccc4)([2H])[2H])[2H] D292182
c1ccc2c(c1)C(=C(NS2(=O)=O)C(=O)Nc3ccccn3)O D292185
CNCC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)O D292190
CN(C)CCN(Cc1ccc(cc1)O)c2ccccn2 D292195
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCNCC4)n(n1)C D292200
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] D292202
CC(C)c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/C3C[C@H](CC(=O)O3)O D292210
[2H]C([2H])([2H])C(c1c(c(nc(n1)NS(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C([2H])([2H])[2H] D292212
CC(/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3)O D292240
CC/C(=C(/c1ccc(cc1)OCCNC)\c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 D292250
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1C(=C)c4c3cc(cc4)O D292500
Cc1cncc(n1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 D292550
c1cc2c(c(c1)O)C(=O)c3c(c(c4c(c3O)[C@H](C[C@@](C4)(C(=O)CO)O)O)O)C2=O D292570
CCOC(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2 D292595
c1cc(ccc1CCN)S(=O)(=O)NC(=O)NC2CCCCC2 D292600
COCCOc1cc2c(cc1OCC(=O)O)c(ncn2)Nc3cccc(c3)C#C D292800
CN(CCCN1CCc2cc(c(cc2CC1=O)OC)O)C[C@H]3Cc4c3cc(c(c4)OC)OC D292985
CN(CCCN1CCc2cc(c(cc2CC1=O)O)OC)C[C@H]3Cc4c3cc(c(c4)OC)OC D292990
COc1cc2c(cc1OC)CC(=O)N(CC2)CCCNC[C@H]3Cc4c3cc(c(c4)OC)OC.Cl D293000
[2H]C([2H])(C([2H])([2H])NC[C@H]1Cc2c1cc(c(c2)OC)OC)C([2H])([2H])N3CCc4cc(c(cc4CC3=O)OC)OC.Cl D293002
CN(CCc1ccc(cc1)OC)CC(c2ccc(cc2)OC)C3(CCCCC3)O D293030
[2H]C([2H])([2H])N(CCc1ccc(cc1)OC)CC(c2ccc(cc2)OC)C3(CCCCC3)O D293032
Cc1cccc(c1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F D293040
[2H]c1c(c(c(c(c1n2c(cc(n2)C(F)(F)F)c3cccc(c3)C)[2H])[2H])S(=O)(=O)N)[2H] D293042
CCCc1nc2ccc(c(c2n1Cc3ccc(cc3)c4ccccc4C(=O)O)C)c5nc6ccccc6n5C D293045
CCCc1nc2ccc(c(c2n1Cc3ccc(cc3)c4ccccc4C(=O)OC)C)c5nc6ccccc6n5C D293050
CNCC/C=C\1/c2ccccc2COc3c1cc(cc3)CC(=O)OC.C(=O)(C(F)(F)F)O D293060
CC(=O)CCCCn1c2c(c(=O)n(c1=O)CCCCC(=O)C)n(cn2)C D293090
CC(=O)CCCCn1cnc2c1n(c(=O)n(c2=O)CCCCC(=O)C)C D293100
CCC(=O)OC1(CCN(CC1)C)c2ccccc2.Cl D293200
[2H]c1c(c(c(c(c1[2H])[2H])C2(CCN(CC2)C)OC(=O)CC)[2H])[2H].Cl D293202
COc1c(ncnc1O)NS(=O)(=O)c2ccc(cc2)N D293300
CNCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC D293500
[2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NC D293502
c1ccc2c(c1)c3c([nH]2)[C@H](N4[C@H](C3)C(=O)NCC4=O)c5ccc6c(c5)OCO6 D293800
[2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 D293862
CC/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/c4ccccc4 D293870
[2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCNC)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)/c4ccccc4 D293872
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3.Cl D293900
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccccc1)/c2ccc(cc2)OCCNC)/c3ccccc3 D293902
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)CCSS(=O)(=O)C)/c3ccccc3.Br D293925
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)CCSS(=O)(=O)C)/c3ccccc3 D293926
CC[C@@H](c1cccc(c1)O)[C@@H](C)CNC D294000
CC[C@@H](c1cccc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H](C)CNC D294005
CCCc1nc2c(cc(cc2n1Cc3ccc(cc3)c4ccccc4C(=O)O)c5[nH]c6ccccc6n5)C D294250
CC(C)(C)C#C/C=C/CNCc1cccc2c1cccc2 D294300
[2H]c1c(c(c2c(c(c(c(c2c1[2H])[2H])[2H])[2H])CNC/C=C/C#CC(C)(C)C)[2H])[2H] D294302
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C5=C(COC5=O)CS4 D294325
COc1ccc2c3c1OC4=C(C=C[C@@H]5[C@@]34CCN([C@@H]5C2)C(=O)OC)OC D294335
CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCNCC4)n(n1)C D294350
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=S)c4c(n3)c(nn4C)CCC)OCC)([2H])[2H])[2H] D294352
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(c(c5c4)CNC)O)O D294400
[2H]C([2H])([2H])NCc1c(ccc2c1cc3c(n2)-c4cc5c(c(=O)n4C3)COC(=O)[C@@]5(CC)O)O D294402
CNCCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3 D294460
Cc1ccc(cc1)S(=O)(=O)Oc2c(c(c(c3c2C(=O)OC3)C)O)C/C=C(\C)/CCC(=O)O D294525
CNC[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O D294700
[2H]C([2H])([2H])NC[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O.Cl D294702
CNC[C@@H]1CCCC[C@]1(c2cccc(c2)OC)O D294720
CNC[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O D294725
CN(C)CC1CCCCC1(c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O D294735
CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)O)O.Cl D294740
[2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(c2cccc(c2)O)O)C([2H])([2H])[2H] D294742
CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)O)O D294745
CN(C)C[C@@H]1CCCC[C@]1(c2cccc(c2)O)O.Cl D294750
CN(C)C[C@H]1CCCC[C@@]1(c2cccc(c2)O)O.Cl D294755
[2H]C([2H])([2H])N(C[C@H]1CCCC[C@@]1(c2cccc(c2)OC)O)C(=O)C(F)(F)F D295452
c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCNCC4 D295500
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F)([2H])[2H])[2H] D295502
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)NC)C)O D296000
CNCC(c1ccc(cc1)OC)C2(CCCCC2)O D296495
[2H]C([2H])([2H])NCC(c1ccc(cc1)OC)C2(CCCCC2)O D296497
CN(C)CC(c1ccc(cc1)O)C2(CCCCC2)O D296500
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(CN(C)C)c2ccc(cc2)O)O)[2H] D296502
CN(C)C[C@@H](c1ccc(cc1)O)C2(CCCCC2)O D296505
CN(C)C[C@H](c1ccc(cc1)O)C2(CCCCC2)O D296510
CN1CC(C2(CCCCC2)OC1)c3ccc(cc3)O D296520
[2H]C1(N(CC(C2(O1)CCCCC2)c3ccc(cc3)O)C([2H])([2H])[2H])[2H] D296522
CN(C)CC(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3(CCCCC3)O D296525
CN(C)CC(c1ccc(c(c1)Cc2cc(ccc2O)C(CN(C)C)C3(CCCCC3)O)O)C4(CCCCC4)O D296530
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(CN(C)C)C3(CCCCC3)O)C(=O)OC)OC(=O)C D296535
CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)O)(C#N)c2ccc(c(c2)OC)OC D296750
CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CC[N@@](C2)C1)(c5cc6c(cc5OC)N[C@@H]7[C@]68CCN9C8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C(=O)OC)O D296760
CNCCc1c[nH]c2c1cc(cc2)CC3COC(=O)N3 D296765
[2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3 D296767
[2H]C([2H])([2H])NCCc1c[nH]c2c1cc(cc2)C[C@H]3COC(=O)N3.Cl D296768
c1cc(ncc1Cl)N2C(c3c(nccn3)C2=O)OC(=O)N4CCNCC4.Cl D296770
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(=O)OC2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])[2H] D296772
CC(=O)O.c1ccc(cc1)CC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N2)Cc3ccc(cc3)O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N D296790
[2H]c1c(c(c(c(c1[2H])[2H])CC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N2)Cc3ccc(cc3)O)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)[2H])[2H] D296792
c1ccc(cc1)CCN2CCC(CC2)Nc3ccc(cc3)F D296815
COc1cc2c(cc1O)c(ncn2)Nc3ccc(c(c3)Cl)F D296830
COc1cc2c(cc1OCCCNCCO)c(ncn2)Nc3ccc(c(c3)Cl)F D296835
c1c(c(c(c[n+]1CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N D296845
[2H]c1c(c(c(c([n+]1C([2H])([2H])CCC[C@@H](C(=O)O)N)[2H])CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N D296847
C[C@H](CCC=C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C D296860
[2H]C([2H])([2H])C(=CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])([2H])[2H] D296862
c1cc(cc(c1)n2c(=O)c(c(cn2)N)Cl)C(F)(F)F D296865
[2H]c1c(c(c(c(c1[2H])n2c(=O)c(c(cn2)N)Cl)[2H])C(F)(F)F)[2H] D296867
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)CO[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)OC)OC D296870
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34 D296875
[2H]C1(C[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]2([C@@]1([13C]#[13CH])O)CC)[2H] D296877
CN1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)OC D296880
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)OC D296882
CC[C@]12CC(=C)[C@@H]3[C@H]4CCCCC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O D296885
CN1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)O D296900
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2CCC[C@H]3[C@@H]1C5)O D296902
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O D296940
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(O[13C](O4)([13CH3])[13CH3])C(=O)CO)CCC5=CC(=O)C=C[C@]35C)O D296942
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C D296970
c1ccc(cc1)C(c2ccccc2)C3CCCCN3 D296980
Cc1c(nc2ccccc2n1)C(=O)/C=C/c3ccccc3 D296990
c1c(c(c(=O)[nH]n1)Cl)N D297000
c1c(c(c(=O)[15nH][15n]1)Cl)N D297002
c1cc(ccc1c2cc3ccc(c(c3s2)C(=O)c4ccc(cc4)OCCN5CCCCC5)O)O D297050
CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3ncc(s3)C(=O)O D297075
CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3ncc(s3)CO D297080
CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N D297150
CCOc1cc(ccc1C(=O)OC)CC(=O)N[C@@H](CC(C)C)c2ccccc2N D297160
CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2NCCCCC(=O)O D297170
C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)O)nc(n2)N(CCO)CCO D297200
C[C@H]1C[C@H]([C@@H](NC1)[C@@H](C)C2=C(C3=CC4C(C3CC2)CC=C5C4(CC[C@@H](C5)O)C)C)O D297250
CC(CC(C#N)(c1ccccc1)c2ccccc2)N(C)C D297255
CC1CN(CCC1N(c2ccccc2)C(=O)C(F)(F)F)CCc3ccccc3 D297260
CC1CN(CCC1Nc2ccccc2)CCc3ccccc3.C(=C\C(=O)O)\C(=O)O D297265
c1cc2c(c3c1CC[C@H]3CCN)CCO2 D297275
COc1c(c(cc2c1n(cc(c2=O)C(=O)O)C3CC3)F)NCCN D297280
Cc1cc(cc(c1Nc2ccnc(n2)Nc3ccc(cc3)C#N)C)Br D297290
CSC[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2NC1 D297310
CSC[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C#N D297315
CCCNCCc1cccc2c1CC(=O)N2 D297380
[2H]C([2H])([2H])CCNCCc1cccc2c1CC(=O)N2 D297382
Cc1cccc(c1NC(=O)C2CCCCN2)C D297385
C[C@@H]([C@@H](CCCCCC(=O)O)N)N D416550
c1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)O D416575
c1ccc(cc1)c2c(nc(s2)N)N.Br D416590
c1cc(sc1)C(=O)c2ccc(c(c2)N)N.[Cl] D416601
c1c(nc(nc1N2CCCCC2)N)N D416640
[2H]C([2H])([2H])C([2H])(C([2H])([2H])N)N D416657
CCCOc1ccccc1c2[nH]c(=O)c(c(n2)N)N D416670
C(CN)CNCCCN D416680
c1[nH]c2c(nc(nc2n1)N)N D416700
c1nc2c(nc(nc2n1[C@H]3CC([C@H](O3)CO)O)N)N D416735
c1c(c(nc(n1)N)N)C#N D416740
c1c(c(nc(n1)N)N)C=O D416750
c1cc2c(cc1N)c(ncn2)N D416755
C1CC[C@H]([C@@H](C1)[NH-])[NH-].[OH-].[OH-].[Pt+6] D416760
C1CC[C@H]([C@@H](C1)[NH-])[NH-].C1CC[C@H]([C@@H](C1)[NH-])[NH-].[OH-].[OH-].[Pt+4].[Pt+4] D416765
C(CS(=O)(=O)O)Sc1nc(nc(n1)N)N D416770
[2H]C([2H])(C([2H])([2H])S(=O)(=O)O)Sc1nc(nc(n1)N)N D416772
Cc1ccc(cc1N)N D416780
[2H]C([2H])([2H])c1ccc(cc1N)N D416782
Cc1c(cccc1N)N D416785
Cc1cccc(c1NC(=O)[C@H]2CCCCN2)C D297390
CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O D297400
c1ccc(cc1)C[C@H](C[C@@H](CN2CCNCC2)O)C(=O)N[C@H]3c4ccccc4C[C@H]3O.Cl D297405
CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)N D297415
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O D297430
[2H]C([2H])([2H])C(c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)N)O)C([2H])([2H])[2H] D297432
CC(C)c1nc(cs1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@H]3[C@@H](NC(=O)O3)Cc4ccccc4 D297450
c1cc(oc1)C(=O)SCC2=C(N3[C@@H]([C@@H](C3=O)N)SC2)C(=O)O D297455
CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)/C=C/C(=O)O D297465
CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=C(C(=O)O)C(=O)O D297470
CCCCc1ncc(n1Cc2ccc(cc2)C(=O)O)C=[13C]([13C](=O)O)[13C](=O)O D297472
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(cc2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)Cn5c(=S)n(nn5)C)C(=O)O D297500
CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)\C)(C)O D297530
CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)(C)OC)C)\C)(C)O D297540
CC[C@@H]1[C@@](/C=C(/C(=O)[C@@H](C[C@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)OC(=O)C)(C)OC)C)\C)(C)O D297550
C(C(C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O)N)O D297600
Cc1cc(cc(c1)C(C)(C)C#N)CC(C)(C#N)c2cc(cc(c2)C(C)(C)C#N)C D297760
Cc1cc(cc(c1)C(C)(C)C#N)CC(C#N)c2cc(cc(c2)C(C)(C)C#N)C D297765
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(CN=C=O)c6ccc(cc6Cl)Cl D297800
CCCC1COC(O1)(CBr)c2ccc(cc2Cl)Cl D297825
Cc1c(ccnc1CSc2[nH]c3ccccc3n2)O D297850
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S/C(=N\O)/CCCCS(=O)C)OC(=O)C)OC(=O)C)OC(=O)C D297880
[2H]C([2H])([2H])S(=O)C([2H])([2H])CCC/C(=N/O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C D297882
C[C@H]1[C@@H](C(=O)N1)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c2csc(n2)N.C(=O)(C(F)(F)F)O D297900
C[C@H]1[C@@H](C(=O)N1)NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)/c2csc(n2)N D297905
CS(=O)CCCC/C(=N/O)/S[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O D297910
[2H]C([2H])([2H])S(=O)C([2H])([2H])CCC/C(=N/O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O D297912
Cc1ccc(cc1)c2cc(n(n2)c3ccc(cc3)S(=O)(=O)N)C(F)(F)F D297915
[2H]c1c(c(c(c(c1n2c(cc(n2)c3ccc(cc3)C)C(F)(F)F)[2H])[2H])S(=O)(=O)N)[2H] D297917
c1ccc2c(c1)CC[C@@H]2Nc3c4ccn(c4ncn3)[C@@H]5C[C@H]([C@@H](C5)O)CO D297920
CC(C)C[C@H](C(=O)NC1[C@@H](c2ccc(c(c2)Cl)Oc3cc4cc(c3O[C@H]5[C@@H]([C@H](C([C@H](O5)CO)O)O)O)Oc6ccc(cc6Cl)[C@H]([C@H]7C(=O)N[C@@H](c8cc(cc(c8-c9cc(ccc9O)[C@H](C(=O)N7)NC(=O)[C@@H]4NC(=O)[C@@H](NC1=O)CC(=O)N)O)O)C(=O)O)O)O)NC D297925
CC(C)NCC(c1ccc(cc1)O)O.Cl D297950
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(c1ccc(cc1)O)O.Cl D297952
Cc1cccc(c1C)Cc2c[nH]cn2.Cl D297975
Cc1cccc(c1C)Cc2c[15nH][13cH][15n]2.Cl D297977
[2H][C@]12[C@H]([C@@H]([C@H](O[C@H]1OC(O2)(C)OC)COC(=O)C)OC(=O)C)OC(=O)C D298000
[2H]O[2H] D298202
C[C@@H]1CC2=C3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C D298775
C[C@@H]1C[C@H]2C3=C([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)[C@]4(C=CC(=O)C=C4CC3)C D298780
C[C@@H]1C[C@H]2C3=CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C D298785
C[C@@H]\1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)F)C D298790
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]\4([C@H]([C@@H]3CC2([2H])[2H])C[C@H](/C4=C(\C=O)/O)C)C)O)F)C D298792
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C D298795
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C D298800
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])C[C@H]([C@@]4(C(=O)C([2H])([2H])O)O)C)C)O)F)C D298802
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C D298805
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)C)O)F)C D298810
CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC D298815
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)C([2H])([2H])C([2H])([2H])[2H] D298817
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO D298820
[2H]C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO D298822
CCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298825
[2H]C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298827
CCCCCCCCCCCCCCCC(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298830
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)O D298832
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C D298835
CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl D299000
CC[C@@H]1C([C@@H]([C@@H](C(O1)COC[C@@H]2C([C@@H]([C@@H](C(O2)COC)O)OC)O)O)O)O D299100
C[C@H](CN1c2ccccc2Sc3c1cc(cc3)OC)CN(C)C.C(=C\C(=O)O)\C(=O)O D299250
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC.O.Br D299455
[2H]C([2H])([2H])N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC D299457
C[N@+]1(CC[C@@]23CCCC[C@@H]2[C@@H]1Cc4c3cc(cc4)OC)[O-].Cl D299465
CN1CCC23CCCCC2C1Cc4c3cc(cc4)O.C(C(C(=O)O)O)(C(=O)O)O D299485
[2H]C([2H])([2H])N1CCC23CCCCC2C1Cc4c3cc(cc4)O.C(C(C(=O)O)O)(C(=O)O)O D299487
CN1CCC23CCCCC2C1Cc4c3cc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O D299500
[2H]C([2H])([2H])N1CCC23CCCCC2C1Cc4c3cc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O D299502
[2H]C([2H])([2H])N1CCC23CCCCC2C1Cc4c3cc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D299602
CC(=O)Oc1cccc2c1C(=O)c3c(cc(cc3OC(=O)C)C(=O)O)C2=O D303000
CC(=O)Oc1cc(cc2c1C(=O)[13c]3[13c]([13cH][13cH][13cH][13c]3OC(=O)C)C2=O)C(=O)O D303002
CC(=O)Nc1[nH]c(=O)c2c(n1)nc(s2)NC(=O)C D304100
CC(=O)NC(C)(C(=O)O)NC(=O)C D304180
c1ccc(c(c1)CC(=O)OCC(=O)OCC(=O)OCC(=O)O)Nc2c(cccc2Cl)Cl D304530
CC(C)NCC(COc1ccc(cc1C(=O)C)NC(=O)C)O D305200
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1C(=O)C)NC(=O)C)O D305202
CC1=N/C(=C\c2ccc(c(c2)OC(=O)C)OC(=O)C)/C(=O)O1 D306875
CC(=O)OC1CCCN(C1OC(=O)C)C(=O)OCc2ccccc2 D307050
CC(CC=C(c1ccccc1)c2ccccc2)C3CCC4[C@@]3([C@H](CC5C4CCC6[C@@]5(CC[C@H](C6)OC(=O)C)C)OC(=O)C)C D307250
CC(c1cc(cc(c1)OC(=O)C)OC(=O)C)Br D307560
CC(c1cc(cc(c1)OC(=O)C)OC(=O)C)O D307570
CC(=O)Oc1cc(cc(c1)OC(=O)C)C=C D307580
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)(=O)c2c(c(c(c(c2[2H])[2H])NC(=O)C)[2H])[2H])[2H] D308577
[2H]c1c(c(c(c(c1NC(=O)C)[2H])[2H])S(=O)c2c(c(c(c(c2[2H])[2H])NC(=O)C)[2H])[2H])[2H] D308607
CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4(C(=CC=C4OC(=O)C)[C@@H]3CC=C2C1)C)C D308680
Cc1ccc(cc1)S(=O)(=O)O[C@@H]2[C@H]([C@@H]([C@H]3CO[C@@H]2O3)OC(=O)C)OC(=O)C D308875
CC(=O)O[C@H]1COC=C[C@@H]1OC(=O)C D308950
CC(=O)Nc1ccc(cc1)c2ccc(cc2)NC(=O)C D309175
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2nc(nc3OCc4ccccc4)N)OC(=O)C D309200
CC(=O)OCc1cc(ccc1OC(=O)C)C(=O)CN(Cc2ccccc2)C(C)(C)C D309280
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2cc(c(=O)[nH]c2=O)Br)OC(=O)C D309400
CC(=O)OCC#CCOC(=O)C D309550
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](OC([C@@H]([C@H]2O)NC(=O)C)O)CO)CO)O)O D310500
CC(=O)N[C@H](CSC(=O)C)C(=O)O D312300
CC(=O)N[C@H](CSSC[C@H](C(=O)O)NC(=O)C)C(=O)O D312500
CC(=O)N[C@H](CSSC[C@H](C(=O)OC(C)(C)C)NC(=O)C)C(=O)OC(C)(C)C D312515
[2H]C([2H])([2H])C(=O)N[C@@H](CSSC[C@@H](C(=O)OC(C)(C)C)NC(=O)C([2H])([2H])[2H])C(=O)OC(C)(C)C D312517
CCOC(=O)c1ccc(cc1)N(C)Cc2cnc3c(n2)c(nc(n3)NC(=O)C)NC(=O)C D314000
C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(nc2=O)N)F)OC(=O)C)OC(=O)C D322500
CCC(C)COC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C)F D322615
C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cc(c(nc2=O)NC(=O)OCCC(C)C)F)OC(=O)C)OC(=O)C D322620
CCCCCOC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C)F D322625
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])OC(=O)Nc1c(cn(c(=O)n1)[C@H]2[C@@H]([C@@H]([C@H](O2)C)OC(=O)C)OC(=O)C)F D322627
CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)n2ccc(=O)[nH]c2=O)OC(=O)C D324500
CCOc1cc(ccc1C(=O)NCC2CN(CCO2)C(=O)C)NC(=O)C D324740
CCOc1cc(c(cc1C(=O)NCC2CN(CCO2)C(=O)C)Cl)NC(=O)C D324750
CC(=O)O[C@H](COC(=O)c1ccccc1)[C@H](CC(OC)OC(=O)C)OC(=O)c2ccccc2 D326990
CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O[Si](C)(C)C(C)(C)C D326995
CC(=O)OC[C@@H]1C=CC(=O)C(O1)OC(=O)C D327005
CC(=O)Nc1ccc(cc1[N+](=O)[O-])c2ccc(c(c2)[N+](=O)[O-])NC(=O)C D327025
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC(=O)C)C D327600
CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O D328985
CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O D329000
CC(=O)Oc1ccc(cc1)c2coc3cc(cc(c3c2=O)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C D330500
CC(=O)NC1[C@H]([C@@H](C(O[C@H]1O)CO)OC(=O)C)O D335000
CC(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)C(=O)C D347500
CC(=O)OC[C@@H]1[C@@H]2[C@@H](C(O1)OC(=O)C)OC(O2)(C)C D348250
Cc1ccc(cc1)S(=O)(=O)O[C@H]2CO[C@]3(COC(O3)(C)C)[C@H]([C@@H]2OC(=O)C)OC(=O)C D353250
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])OC(=O)C)CC[C@@H]4[C@H](C)CC(=O)OC)C)C)([2H])[2H])OC(=O)C D353402
[2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])OC(=O)C)CC[C@@H]4[C@H](C)CC(=O)OC)C)C)([2H])[2H])OC(=O)C D353412
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)NC(=O)C)Cl)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C D361000
CCOC(=O)CN(c1ccc(cc1)N(CC(=O)OCC)C(=O)C)C(=O)C D363500
CC(=O)c1c(cc(c(c1O)C(=O)C)O)O D365500
CC(=O)c1cc(n[nH]1)C(=O)C D366000
CC(=O)O[C@@H]1[C@@H](C(=O)OC1=O)OC(=O)C D400550
CC(=O)O[C@@H]1[C@@H](C(=O)OC1=O)OC(=O)C D400570
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)C)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 D413000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 D414000
CCOC(=O)C(c1ccc(c(c1)OC)OC(=O)C)OC(=O)C D414800
[2H]C([2H])([2H])Oc1cc(ccc1OC(=O)C)C(C(=O)OCC)OC(=O)C D414802
C=CC(=O)N1CCN(CC1)C(=O)C=C D416000
C1(C(=O)NC(=O)NC1=O)O D416015
C1(C(=O)[15NH][13C](=O)[15NH]C1=O)O D416017
C[C@@H]1CN([C@H](CN1CC=C)C)CC=C D416030
COc1ccc2c(c1)c(c[nH]2)CCN(CC=C)CC=C D416040
c1cc(ccc1c2cc3ccc(cc3[nH]2)C(=N)N)C(=N)N D416050
c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)N)N D416080
C1CC[C@H]([C@@H](C1)N)N D416090
c1cc2c(cc1N)[nH]c3cc(ccc3c2=O)N D416120
COc1ccc(c(c1)N)N D416125
Cc1nc(c(c(n1)N)/N=N/c2ccccc2)N D416135
c1cc(c(cc1c2ccc(c(c2)N)N)N)N D416150
C(CCCN)CCN D416170
[2H]C([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])N)C([2H])([2H])C([2H])([2H])N D416172
c1c(c(cc2c1[nH]cn2)N)N D416200
c1c(c(cc2c1[nH]cn2)N)N D416201
COC(=O)c1cccc(c1N)N.Cl D416211
COC(=O)c1ccc(c(c1)N)N.Cl D416215
c1cc(c(cc1C#N)N)N D416220
c1c(c(cc2c1[nH]c(=O)s2)N)N D416230
C1[C@@H]([C@@H]([C@@H](S1)CCCCC(=O)O)N)N D416235
COC(=O)c1c(nc(c(n1)Cl)N)N D416240
C1[C@@H](C=C[C@@H]1Nc2c(c(nc(n2)N)Cl)N)CO D416245
C1[C@@H](C=C[C@@H]1Nc2c(c(nc(n2)N)Cl)N)CO D416246
C(CN)[C@@H](C(=O)O)N D416250
[13CH2]([13CH2]N)[13C@@H]([13C](=O)O)N D416252
c1c(c(c(nc1Cl)Cl)N)N.Cl D416253
[2H]C([2H])(C([2H])([2H])N)C([2H])(C(=O)O)N D416254
c12c(=O)[nH]c(nc1nc(s2)N)N D416255
N.N.[I-].[I-].[Pt+2] D416260
[NH2-].[NH2-].N(=O)[O-].N(=O)[O-].[Pt+4] D416263
CCOc1cc(c(cc1OCC)N)N.Cl D416265
COc1cc(c(cc1OC)N)N D416270
c1nc(c(c(n1)Cl)N)N D416275
c1ccc2c(c1)C(=O)C3=C(CCC(=C3C2=O)N)N D416280
[HH].CC(C)c1c(nc2c(n1)c(nc(n2)N)N)C(C)C.OOP(=O)=O D416285
[HH].[2H]C([2H])([2H])C(c1c(nc2c(n1)c(nc(n2)N)N)C(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H].OOP(=O)=O D416287
Cn1c(c(c(=O)n(c1=O)C)N)N D416290
c1cc(ccc1N)Nc2ccc(cc2)N.OS(=O)(=O)O D416300
c1cc2c(c(c1N)N)OCCO2 D416310
c1c(c(cc2c1OCCO2)N)N D416320
c1c(c(cc2c1OC(O2)(F)F)N)N D416330
c1(c([nH]c(=O)[nH]c1=O)N)N.Cl D416335
c1([13c]([13c](=O)[nH]c(=O)[nH]1)N)N.Cl D416336
CCCn1c(c(c(=O)n(c1=O)CCC)N)N D416337
c1c(c(cc2c1[nH]c(=O)[nH]2)N)N D416340
c1c(c(cc2c1[nH]c(=O)[nH]2)N)N D416341
c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N)O)N D416345
c1ccc(cc1)N=Nc2cc(c(nc2N)N)O D416348
c1(c(nc(nc1O)N)N)N=O D416350
c1c([nH]c(nc1=O)N)N D416353
c1c(nc(nc1O)N)N.OS(=O)(=O)O D416355
C(#N)Sc1c(nc([nH]c1=O)N)N D416357
c1c2cn[nH]c2cc(c1N)N D416360
CC(C)Cn1c(c(c(=O)n(c1=O)C)N)N D416365
COc1ccnc(c1N)N D416366
c1c(nc(s1)N=C(N)N)CS(=O)CCC(=O)NS(=O)(=O)N D416367
c1c(nc(s1)N=C(N)N)CS(=O)CC/C(=N/S(=O)(=O)N)/N D416368
c1c(nc(s1)N=C(N)N)CSCCC(=O)NS(=O)(=O)N.Cl D416369
c1c(c(cc2c1OCO2)N)N D416370
c1c(nc(s1)N=C(N)N)CSCCC#N D416372
c1[13c](n[13c](s1)N=[13C](N)N)CSCCC#N D416373
Cn1c(=O)c(c(nc1SC)N)N D416374
Cc1c(c(ncn1)N)N D416375
c1[nH]c(c(c(=O)n1)N)N D416380
c1[nH][13c](c(c(=O)n1)[15NH2])N D416382
C.Cn1c(=O)c(c([nH]c1=O)N)N D416385
[2H]C([2H])([2H])n1c(=O)c(c([nH]c1=O)N)N D416387
c1([13c]([13c](=O)[nH]c(=O)[nH]1)N)N.OS(=O)=O D416392
c1c(nc2c(nc(nc2n1)N)N)CO.Cl D416395
c1ccc2c(c1)ccc(c2N)N D416400
c1ccc2c(c1)ccc(c2N)N D416401
c1cc2c(cccc2N)c(c1)N D416415
[2H]c1c(c2c(c(c(c(c2N)[2H])[2H])[2H])c(c1[2H])N)[2H] D416417
c1cc2c(ccc(c2N)N)c(c1)S(=O)(=O)N.Cl D416450
c1ccc(cc1)Nc2ccc(c3c2c(ccc3)S(=O)(=O)[O-])c4ccc(c5c4cccc5S(=O)(=O)[O-])Nc6ccccc6.[K+].[K+] D416480
c1c(c(nc(n1)N)N)[N+](=O)[O-] D416500
[2H]C([2H])([2H])c1c(cccc1N)N D416787
c1(c([nH]c(=O)[nH]c1=O)N)N.OS(=O)(=O)O D416790
c1c(c(cc2c1[nH]c(=O)c(=O)[nH]2)N)N D416800
c1c(c(c(s1)CCCCC(=O)O)N)N D416805
Cc1ccc(c(c1)N)N D416810
[2H]c1c(c(c(c(c1C([2H])([2H])[2H])[2H])N)N)[2H] D416812
c1(c([nH]c(=S)[nH]c1=O)N)N D416815
c1(c(=O)[nH]c(=S)[nH][13c]1N)[15NH2] D416817
c1(c(c(c(c(c1I)N)I)N)I)C(=O)O D416820
Cc1cccc(c1N)N D416825
[2H]C([2H])([2H])c1cccc(c1N)N D416827
c1cc(c(cc1N)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N D416830
C1C[C@H](Cc2c1nc(s2)N)N D416835
C1C[C@@H](Cc2c1nc(s2)N)N D416840
c1(c([nH]c(=O)[nH]c1=S)N)N D416845
c1([13c]([13c](=S)[nH]c(=O)[nH]1)N)N D416847
C.c1c(c(cs1)N)N D416850
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D416855
[2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl D416857
[2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)N(c3c2cc(cc3)Cl)C)[2H])[2H] D416858
c1c(nc(nc1N)S)N D416860
C(COCCOCCN)N D416863
CCCCCN(CCCCC)N=O D416864
c1ccc(cc1)C2OCC3[C@@H](O2)[C@@H]4C(O4)CO3 D416868
B(F)(F)F.COc1ccc(cc1)[I+]c2ccc(cc2)OC.[F-] D416870
C1C[C@H]2CNC[C@H]2NC1 D416871
C[C@H]1C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)N1 D416873
C(COCCOCCOCCN=[N+]=[N-])N=[N+]=[N-] D416875
CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C D416880
[2H]C([2H])([2H])C([2H])([2H])OP(=S)(Oc1cc(nc(n1)C(C)C)C)OC([2H])([2H])C([2H])([2H])[2H] D416882
c1ccc(cc1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F D416883
B(F)(F)F.c1cc(ccc1[N+]#N)S(=O)(=O)O.[F-] D416885
C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+]#N D416888
[2H]c1c(c(c2c(c1[2H])CC(=O)c3ccccc3N2)[2H])[2H] D416892
c1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4n3 D416900
[2H]c1c(c(c2c(c1[2H])c(c(c3c2nc4ccc5ccccc5c4c3)[2H])[2H])[2H])[2H] D416902
CCC(=O)N(CC(C)N(C)CCc1ccccc1)c2ccccc2.Cl D416905
[2H]C([2H])([2H])C([2H])([2H])C(=O)N(CC(C)N(C)CCc1ccccc1)c2ccccc2.Cl D416907
c1ccc2c(c1)ccc3c2cc4c5ccccc5ccc4n3 D416910
Cc1ccc(cc1)S(=O)(=O)N(C)N=O D416915
CN1c2ccccc2C(=O)N(c3c1cccc3)CCN(C)C D416920
CN1c2ccccc2C(=O)N(c3c1cccc3)CCN(C)C D416922
c1ccc2c(c1)COc3ccccc3C2=O D416925
CCCCC[C@H](CC(=O)NOCc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2COCc3ccccc3 D416930
c1ccc2c(c1)CCc3ccccc3C2 D416935
c1ccc2c(c1)CCc3ccccc3C2=O D416940
c1ccc2c(c1)cc3ccc4cccc5c4c3c2c6c5cccc6 D416945
[2H]c1c(c(c2c(c1[2H])c3c(c(c(c4c3c5c2c6ccccc6cc5cc4)[2H])[2H])[2H])[2H])[2H] D416947
c1ccc2c(c1)ccc3c2c4c5ccccc5ccc4[nH]3 D416950
c1ccc2c(c1)C(=O)Nc3ccccc3S2 D416953
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O D416954
c1ccc(cc1)C[C@@H](C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O)N D416955
c1ccc(cc1)CN(Cc2ccccc2)CC3CCCCC3=O.Cl D416960
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O)N5CCCNC5=O D416965
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])(C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)N(Cc3ccccc3)Cc4ccccc4)O)N5CCCNC5=O D416967
COc1cccc(c1)C2(CCCCC2CN(Cc3ccccc3)Cc4ccccc4)O.Br D416970
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCc2ccccc2)COCc3ccccc3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCc5ccccc5)OCc6ccccc6)OCc7ccccc7)OC(=O)c8ccccc8)O D416973
C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](OC([C@@H]2NC(=O)C)OCc3ccccc3)COCc4ccccc4)O[C@H]5[C@@H](C([C@H]([C@H](O5)COCc6ccccc6)OCc7ccccc7)OCc8ccccc8)O[C@H]9[C@H]([C@@H]([C@@H]([C@@H](O9)C)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 D416975
c1ccc(cc1)C[C@@H](C(=O)CC#N)N(Cc2ccccc2)Cc3ccccc3 D416980
c1ccc2c(c1)cc3ccc4cc5ccccc5c6c4c3c2cc6 D416985
[2H]c1c(c(c2c(c1[2H])c(c3c(c(c4c(c5c(c(c(c(c5c6c4c3c2c(c6[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] D416987
C[C@@H]1[C@H]([C@@H]([C@H](C(O1)OCc2ccccc2)OC)OCc3ccccc3)NC(=O)CC(C)(C)O D416990
c1ccc(cc1)COC(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)[C@H](CSCc3ccccc3)NC(=O)CC[C@H](C(=O)OCc4ccccc4)NC(=O)OCc5ccccc5 D416995
CCN(CC)P(OCc1ccccc1)OCc2ccccc2 D417000
c1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4c3 D417010
[2H]c1c(c(c2c(c1[2H])c(c(c3c2c(c4c(c(c5c(c(c(c(c5c4c3[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] D417012
c1ccc(cc1)CSSCc2ccccc2 D417080
c1ccc(cc1)CN(Cc2ccccc2)C=O D417100
c1ccc(cc1)C(=O)OC[C@@H]2C([C@H]([C@@H](O2)n3cc(c(=O)[nH]c3=O)I)F)OC(=O)c4ccccc4 D417150
c1ccc(cc1)C(=O)OC[C@@H]2C([C@H]([C@@H](O2)n3cc(c(=O)[nH]c3=O)I)F)OC(=O)c4ccccc4 D417160
C(COCCOCCN=[N+]=[N-])N=[N+]=[N-] D417200
B(F)(F)F.c1cc(c(cc1[N+](=O)[O-])[N+]#N)O.[F-] D417230
CC(C)(C)OC(=O)NCC(CN=[N+]=[N-])N=[N+]=[N-] D417265
C(COCCN=[N+]=[N-])N=[N+]=[N-] D417280
C(COCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-] D417300
CC1=NS(=O)(=O)c2cc(ccc2N1)Cl D417305
[13CH3][13C]1=[15N]S(=O)(=O)c2cc(ccc2N1)Cl D417307
c1ccc-2c(c1)CC(=O)Nc3c2cccc3 D417310
c1ccc(cc1)C(=O)CCC(=O)c2ccccc2 D417320
c1ccc(cc1)C(=O)O[C@@H]([C@@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O D417325
c1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccccc2)C(=O)O D417326
c1ccc2c(c1)CCc3ccccc3C2O D417330
c1ccc2c(c1)ccc3ccccc3c2=O D417335
COc1cc2c(cc1OCc3ccccc3)C4Cc5ccc(c(c5CN4CC2)O)OCc6ccccc6 D417340
c1ccc2c(c1)c3cc(ccc3s2)O D417345
c1ccc(cc1)CN2[C@H]3COC(=O)[C@H]3N(C2=O)Cc4ccccc4 D417380
c1ccc(cc1)CN2C3C[Se]C(=O)C3N(C2=O)Cc4ccccc4 D417420
c1ccc(cc1)CN2[C@H]3C[Se]C(=O)[C@H]3N(C2=O)Cc4ccccc4 D417423
C=C[C@H]([C@@H](C=C)OCc1ccccc1)OCc2ccccc2 D417430
CC(C)N(C(C)C)P(OCc1ccccc1)OCc2ccccc2 D417500
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C(C(C(=O)O)N)O.Cl D417525
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C([13CH]([13C](=O)O)[15NH2])O.Cl D417527
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)[C@H]([C@@H](C(=O)O)N)O.Cl D417530
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)[C@@H]([C@@H](C(=O)O)N)O.Cl D417531
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)[C@H]([13C@H]([13C](=O)O)[15NH2])O.Cl D417532
C=C1[C@H](C[C@H]([C@H]1COCc2ccccc2)OCc3ccccc3)n4cnc5c4nc([nH]c5=O)N D417550
c1ccc(cc1)Cn2cc(c(=O)n(c2=O)Cc3ccccc3)F D417570
c1ccc(cc1)COC(=O)CCCC(=O)OCc2ccccc2 D417650
c1ccc(cc1)CNCC(=O)NCc2ccccc2 D417680
c1ccc(cc1)COP(=O)OCc2ccccc2 D417720
c1ccc(cc1)C2OC[C@H]3[C@@H](O2)[C@H]4[C@@H](N3)COC(O4)c5ccccc5 D417790
c1ccc(cc1)C2OC3C(C(O2)C(=O)O)OC(OC3C(=O)O)c4ccccc4 D417815
c1ccc(cc1)C2OC(C3C(O2)C(OC(O3)c4ccccc4)CO)CO D417825
c1ccc(cc1)C2OC[C@H]([C@@H](O2)C3C(COC(O3)c4ccccc4)O)O D417840
c1ccc(cc1)C2OC[C@]3([C@@H](O2)[C@H]4[C@@](O3)(COC(O4)c5ccccc5)O)O D417850
c1ccc(cc1)CN2[C@@H]3[C@@H](C(=O)OC3=O)N(C2=O)Cc4ccccc4 D417870
c1ccc(cc1)CN2CCN(CC2)Cc3ccccc3 D417880
[2H]C1(C(N(CCN1Cc2ccccc2)Cc3ccccc3)([2H])[2H])[2H] D417882
CCCCCCCCc1ccc(cc1)CCC2(COC(=N2)C)COP(=O)(OCc3ccccc3)OCc4ccccc4 D417890
c1ccc(cc1)Cn2c(=S)n(sc2=O)Cc3ccccc3 D417960
CC(=O)c1cc(cc(c1)OCc2ccccc2)OCc3ccccc3 D417970
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)C=O D417980
c1ccc(cc1)COc2cc(cc(c2OCc3ccccc3)O)C(=O)OCc4ccccc4 D417985
COc1ccc(c(c1OCc2ccccc2)c3c(ccc(c3OCc4ccccc4)OC)C(=O)OC)C(=O)OC D417995
c1ccc(cc1)COCn2cc(c(=O)n(c2=O)COCc3ccccc3)F D418000
CCC(C(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)Br D418005
CCC(C(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)NC(c4ccccc4)c5ccccc5.Cl D418010
CCCC(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3 D418015
CCC(=O)c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3 D418025
CC(=O)Cc1ccc(c(c1)OCc2ccccc2)OCc3ccccc3 D418030
CCC(c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)O D418050
c1ccc(cc1)COCC(COCc2ccccc2)O D418080
[2H]C([2H])(C([2H])(C([2H])([2H])OCc1ccccc1)O)OCc2ccccc2 D418082
c1ccc(cc1)C[C@@H](C(=O)OCc2ccccc2)N(Cc3ccccc3)Cc4ccccc4 D418115
c1ccc(cc1)COP(=O)(OCc2ccccc2)Cl D418200
c1ccc(cc1)CN(Cc2ccccc2)C(CO)C(=O)OCc3ccccc3 D418675
c1ccc(cc1)CN(Cc2ccccc2)[13CH]([13CH2]O)[13C](=O)OCc3ccccc3 D418677
COc1cc2c(cc1OCc3ccccc3)C4Cc5ccc(c(c5CN4CC2)OC)OCc6ccccc6 D418800
CC([Si](Oc1c(cc(cc1)/C=C/C(O)CC(O)/C=C/c2cc(c(cc2)O[Si](C(C)(C)C)(C)C)OC)OC)(C)C)(C)C D428055
C[C@H](C=O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C[C@@H](C3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C D428065
CCN(CC)P(OC(C)(C)C)OC(C)(C)C D429300
CC(C)N(C(C)C)P(OC(C)(C)C)OC(C)(C)C D429400
c1ccc(cc1)CN2[C@@H]3C[Se]C[C@@H]3N(C2=O)Cc4ccccc4 D418900
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OCc2ccccc2)OC(=O)C)OCc3ccccc3 D419000
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)OC(=O)C)OCc2ccccc2)OCc3ccccc3 D421000
CC(C)(C)OC(=O)N[C@@H](CSSC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)C(=O)OC D422000
Cc1cccc(c1NC(=O)CN2CCN(CC2)CC(CO)O)C D422050
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)N)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D422110
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)CO)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D422225
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)COCc6ccc(cc6)OC)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)OC(=O)OCC(Cl)(Cl)Cl D422275
c1ccc(cc1)N2CC[C@@]3(C2=Nc4cc(ccc4C3=O)[N+](=O)[O-])O D422350
CC(=O)OCC(C=C)OC(=O)C D422425
CC(=O)O[C@@H]1[C@@H](C(OC1OC(=O)C)(COS(=O)(=O)C)COS(=O)(=O)C)OCc2ccccc2 D422460
C[C@H]1[C@@H]([C@H](C=CO1)OC(=O)C)OC(=O)C D422500
C/C(=N\Nc1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-])/C(=N/Nc2c(cc(cc2)[N+](=O)[O-])[N+](=O)[O-])/C D422530
C/C(=N\Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C(=O)C D422550
C[C@@H](C(=O)N[C@H]1c2ccccc2-c3ccccc3N(C1=O)C)NC(=O)Cc4cc(cc(c4)F)F D422600
c1ccc2c(c1)c(=O)c(=O)c3ccccc3[nH]2 D422620
c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@@H](O2)[15n]3ccc(=O)[15nH][13c]3=O)(F)F)OC(=O)c4ccccc4 D422652
C/C(=C/c1ccc(c(c1)OCc2ccccc2)OCc3ccccc3)/[N+](=O)[O-] D422690
c1ccc(cc1)COc2ccc(cc2)c3coc4cc(ccc4c3=O)OCc5ccccc5 D422725
C(C(=O)CBr)Br D422775
C([13C](=O)CBr)Br D422777
C1[C@H]2C[C@@]3(C[C@](C2)(C[C@H]1C3)Br)Br D422875
COc1c(ccc(c1Br)Br)N D422950
COc1c(cc(cc1Br)Br)N D422955
COc1c(ccc(c1N)Br)Br D422960
c1ccc2c(c1)c(c3ccccc3c2Br)Br D422990
c1ccc2c(c1)c(c3ccc(cc3c2Br)S(=O)(=O)[O-])Br.[Na+] D423000
c1ccc2c(c1)c(c3ccc(cc3c2Br)S(=O)(=O)O)Br D423010
c1ccc2c(c1)c(c3ccc(cc3c2Br)S(=O)(=O)Cl)Br D423500
COC(=O)c1ccc(cc1Br)Br D424500
Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)CBr D425000
c1cc(sc1c2ccc(s2)Br)Br D425025
COCOc1ccc2cc(ccc2c1c3c4ccc(cc4ccc3OCOC)Br)Br D425075
c1cc(ccc1C(C(C(=O)O)Br)Br)Br D425110
c1ccc(c(c1)C(C(C(=O)O)Br)Br)Br D425115
CC(C(C#N)Br)Br D425180
C(#N)C(Cl)(Br)Br D425200
C(Cl)(Br)Br D425205
[13CH](Cl)(Br)Br D425207
C([N+](=O)[O-])(Cl)(Br)Br D425210
c1cc(ccc1C(C(C(=O)O)Br)Br)Cl D425220
c1c(nc(c(n1)Cl)Br)Br D425230
CN1C(=O)C(CC1(c2cccnc2)Br)Br.BrBrBr D425250
C(#N)C(C(=O)N)(Br)Br D425310
[13C](#N)[13C]([13C](=O)N)(Br)Br D425312
C1CC(C(CC1C(CBr)Br)Br)Br D425330
c1cc(c(c(c1Br)F)F)Br D425340
c1c2c(c(c(c1CCC(=O)O)Br)Br)OCC2 D425350
C[C@]12CC[C@@H]3c4cc(c(c(c4CC[C@H]3[C@@H]1[C@H]([C@H]([C@@H]2O)O)O)Br)O)Br D425360
C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1C[C@H](C2=O)Br)Br)O D425370
c1c(cc(c(c1F)CC#N)Br)Br D425380
C[C@]12CC[C@@H]3c4cc(c(c(c4CC[C@H]3[C@@H]1C[C@H](C2=O)O)Br)O)Br D425390
COc1cc(ccc1OCc2ccccc2)C=C(Br)Br D425400
COc1ccc(cc1OCc2ccccc2)C=C(Br)Br D425405
c1(c(c(sc1Br)Br)[N+](=O)[O-])[N+](=O)[O-] D425435
C1CC1C=C(Br)Br D425440
[2H]C1(C(C1([2H])[2H])C=C(Br)Br)[2H] D425442
C[C@]12CCC3c4cc(c(c(c4CC[C@H]3[C@@H]1C[C@H](C25OCCO5)O)Br)O)Br D425445
C(CBr)/C=C/CCBr D425450
COc1ccc(cc1)C(C(C(=O)O)Br)Br D425455
C1CCC(CC1)NC2CCCCC2.C(P(=O)(O)O)(P(=O)(O)O)(Br)Br D425460
c1ccc2c(c1)c(no2)C(Br)Br D425465
CC1(C(=C(C(N1[O-])(C)C)Br)Br)C D425470
c1cc(ncc1Br)Br D425472
c1c(cncc1Br)Br D425473
CC1(C(C(=O)C(C(N1)(C)C)Br)Br)C.Br D425475
C1CC(=O)c2c1c(c(c3c2CCO3)Br)Br D425478
C(COCCOCCBr)OCCOCCBr D425480
c1cc(sc1Br)Br D425483
CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)[N+](=O)[O-].Cl D425485
c1csc(c1Br)Br D425490
c1cn2cc(nc(c2n1)Br)Br D425495
C1COc2c(c(sc2Br)Br)O1 D425540
C(=O)(C(C(=O)N)(Br)Br)N D425600
[13C](=O)([13C]([13C](=O)N)(Br)Br)N D425602
c1cc(ccc1CBr)CBr D425650
[2H]c1c(c(c(c(c1CBr)[2H])[2H])CBr)[2H] D425652
COC(=O)c1ccccc1c2ccc(cc2)C(Br)Br D425660
CC(=CBr)CBr D425700
C([N+](=O)[O-])(Br)Br D425710
c1c(c(cnc1Br)[N+](=O)[O-])Br D425725
c1cc(c(c(c1)Br)Br)O D425740
CC(=O)Oc1c(cccc1Br)Br D425750
CC(=O)Oc1ccc(cc1Br)Br D425755
c1cc(c(cc1C(=N)N)Br)OCCCOc2ccc(cc2Br)C(=N)N D425800
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1Br)C(=N)N)C([2H])([2H])Oc2ccc(cc2Br)C(=N)N D425802
C(CBr)CBr D425850
C(C(C#N)Br)Br D425950
c1c(sc(n1)Br)Br D426050
c1c(sc(n1)Br)Br D426055
C(C(=O)C(F)(F)F)(Br)Br D426150
CCCCOc1cc(c2ccccc2n1)C(=O)NCCN(CC)CC.Cl D426500
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1cc(c2ccccc2n1)C(=O)NCCN(CC)CC.Cl D426502
CCCCN(CCCC)C(CO)c1cc(cc\2c1-c3ccc(cc3/C2=C/c4ccc(cc4)Cl)Cl)Cl D426700
CCCCN(CCCC)CCCO D427000
CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)O.Cl D427200
[2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)C([2H])([2H])Oc1ccc(cc1)C(=O)O.Cl D427202
CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)OC D427210
[2H]C([2H])(C([2H])([2H])N(CCCC)CCCC)C([2H])([2H])Oc1ccc(cc1)C(=O)OC D427212
CC(C)(C)OC(=O)CN(CCBr)CC(=O)OC(C)(C)C D428000
CC(C)(C)[Si](C)(C)Oc1ccc(cc1OC)/C=C/C(=C/C(=O)/C=C/c2ccc(c(c2)OC)O[Si](C)(C)C(C)(C)C)/O D428050
Cc1cnc2ccc3c(c2n1)nc(n3C)Nc4nc5c(=O)[nH]c(nc5n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N D429410
[2H]C([2H])([2H])n1c2ccc3c(c2nc1Nc4nc5c(=O)[nH]c(nc5n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N)nc(cn3)C D429412
Cc1cnc2ccc3c(c2n1)nc(n3C)Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)nc(nc5OCc7ccccc7)N D429415
[2H]C([2H])([2H])n1c2ccc3c(c2nc1Nc4nc5c(n4[C@H]6C[C@@H]([C@H](O6)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)nc(nc5OCc7ccccc7)N)nc(cn3)C D429417
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C D429420
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)OCC=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C D429425
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H](C[C@@H](CC(=O)O[C@H]3[C@@H](C([C@@H]([C@H](O3)C(=O)OCC=C)O)O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C D429430
CCCCN(CCCC)SCl D429440
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])SCl D429442
CCCCn1c(c(c(=O)n(c1=O)CCCC)N)N D429445
CCCCOP(=O)(OCCCC)Cl D429450
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[Sn](CC)(CC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] D429457
CC(C)(C)c1ccc(c(c1)C(C)(C)C)O D429475
[2H]C([2H])([2H])C(c1ccc(c(c1)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)(C([2H])([2H])[2H])C([2H])([2H])[2H] D429477
Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C D429480
CCCCOC(=O)c1ccccc1C(=O)OCCCC D429495
CCCCOC(=O)c1ccccc1C(=O)OCCCC D429500
CCCCOC(=O)CCCCCCCCC(=O)OCCCC D429525
CCCC[Sn+2]CCCC.[Cl-].[Cl-] D429552
CCCCn1c2c(c(=O)n(c1=O)CCCC)nc[nH]2 D429600
[2H]C([2H])([2H])Oc1c(ccc(c1C(=O)O)Cl)Cl D429802
[2H]C([2H])(C(=O)OCC)C([2H])([2H])N(C)C([2H])([2H])C([2H])([2H])C(=O)OCC D430652
c1ccc(cc1)COC(=O)[C@H](CCCCNCCCC[C@@H](C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3)NC(=O)OCc4ccccc4 D430875
CC(Cc1ccc(cc1)C(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O D430980
[2H]C([2H])([2H])C(c1ccc(cc1)CC(C)(C(=O)O)C(=O)O)(C(=O)O)C(=O)O D430982
CCOC(=O)C(C)(Cc1ccc(cc1)CC(=O)O)C(=O)OCC D430990
CCOC(=O)Cc1ccc(cc1)CC(C)(C(=O)OCC)C(=O)OCC D430995
c1cc(ccc1N(CC(=O)[O-])N=O)N(CC(=O)[O-])N=O.[Na+].[Na+] D431250
CN1CCc2cc3c(c-4c2[C@H]1Cc5c4cc(c(c5)OC)OC)OCO3 D431500
[13cH]1[13c]([13cH][13c]([13c]([13c]1Cl)N)Cl)[N+](=O)[O-] D431752
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)Cl)Cl D431755
C(=O)C(Cl)Cl.O D431765
C(C(=O)CCl)Cl D431770
CC(=O)c1ccc(c(c1)Cl)Cl D431775
c1cc2c(cc1O)CCCN2C(=O)C(Cl)Cl D431785
c1cc(c(cc1N)Cl)Cl D431800
[13cH]1[13cH][13c]([13c]([13cH][13c]1N)Cl)Cl D431802
[2H]c1cc(c(c(c1N)[2H])Cl)Cl D431803
c1cc(c(c(c1)Cl)N)Cl D431805
c1cc(c(c(c1)Cl)C=O)Cl D431850
c1cc(c(c(c1)Cl)Cl)c2c(nc(nn2)NC(=O)c3cccc(c3Cl)Cl)N D431860
c1cc(c(c(c1)Cl)Cl)[13C](=O)NN[13C](=N)N D431877
c1cc(c(cc1Cl)Cl)CCC=O D431890
c1cc(c(cc1Cl)CCC=O)Cl D431895
c1c2c(cc(c1Cl)Cl)nc[nH]2 D431900
c1cc(c(c(c1)Cl)Cl)[13C](=O)O D431952
c1ccc(c(c1)C(=O)c2ccc(c(c2)Cl)Cl)C(=O)O D432200
c1cc(c(cc1Cl)Cl)C(=O)C#N D432210
c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@H](O2)Cl)OC(=O)c3ccc(cc3)Cl)Cl D432235
c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)n3cc(c(=O)[nH]c3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432275
c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432277
c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@@H](O2)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432282
c1cc(c(cc1Cl)CN)Cl D432285
c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@H](O2)n3cc(c(=O)[nH]c3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432290
c1cc(ccc1C(=O)OC[C@@H]2[C@@H](C[C@H](O2)[15n]3cc(c(=O)[15nH][13c]3=O)F)OC(=O)c4ccc(cc4)Cl)Cl D432292
c1cc(c(cc1Cl)Cl)CCl D432320
[2H]C([2H])(c1ccc(cc1Cl)Cl)Cl D432322
CC(C)N(C(C)C)P(OCc1ccc(cc1)Cl)OCc2ccc(cc2)Cl D432500
c1cc(c(cc1CN2c3ccc(cc3C(=C(C#N)C#N)C2=O)S(=O)(=O)N4CCSCC4)Cl)Cl D432515
c1cc(ccc1CCO)OCc2ccc(c(c2)Cl)Cl D432825
CS(=O)(=O)OCCc1ccc(cc1)OCc2ccc(c(c2)Cl)Cl D432875
c1cc2c(cc1CBr)c(c3ccc(cc3c2Cl)CBr)Cl D433450
CCBr.c1ccc2c(c1)c(c3ccc(cc3c2Cl)CBr)Cl D433455
CC(C)(c1ccc(c(c1)Cl)O)c2ccc(c(c2)Cl)O D433550
c1c(c(nc(n1)Cl)Cl)Br D433775
C([C@H]([C@@H](CCl)O)O)Cl D433930
C([C@@H]1[C@H](OS(=O)(=O)O1)CCl)Cl D433940
C(/C=C\CCl)Cl D433980
CC1([C@@H]2CC[C@@]13CS(=O)(=O)N=C3C2(Cl)Cl)C D433985
CC1([C@@H]2CCC13CS(=O)(=O)N4[C@@]3(C2(Cl)Cl)O4)C D433990
c1c(c(cc(c1Cl)Cl)O)O D434000
c1c[nH]c2c1c(nc(n2)Cl)Cl D434025
c1ccc2c(c1)Oc3cc(c(cc3O2)Cl)Cl D434085
COC(=O)C=C(C(Cl)Cl)C(Cl)Cl D434090
c1c2cc(cnc2c(cc1Cl)C(Cl)Cl)Cl D434100
c1cc(c(c2c1cc(cn2)Cl)C(Cl)Cl)Cl D434105
C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N D434110
c1cc2c(cc1Cl)CCc3ccc(nc3C2=O)Cl D434150
c1cc2c(cc1Cl)CCc3cc(cnc3C2=O)Cl D434155
c1cc2c(cc1Cl)CCc3c(ccnc3C2=O)Cl D434160
CN1c2ccccc2C(c3ccc(cc3S1(=O)=O)Cl)Cl D434170
CP(=O)(Nc1ccc(c(c1)Cl)F)Nc2ccc(c(c2)Cl)F D434175
CC(C)N(C(C)C)P(Cl)Cl D434180
c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)Cl)Cl D434185
CCOC(=O)c1c(c(c([n+](c1Cl)[O-])C)C)Cl D434190
c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl D434195
CCOC(=O)CC(=O)c1cc(c(nc1Cl)Cl)F D434200
CC(=O)Oc1cc2c(cc1Cl)C(c3cc(c(cc3O2)OC(=O)C)Cl)c4ccccc4C(=O)O D434215
CC(C)(CCC(C)(C)Cl)Cl D434220
[13CH3]C([13CH3])(CCC([13CH3])([13CH3])Cl)Cl D434222
COc1cc2c(cc1OC)nc(nc2Cl)Cl D434230
Cc1ccc2c(c1)c(c3ccc(cc3c2Cl)C)Cl D434250
CC.Cc1ccc2c(c1)c(c3ccccc3c2Cl)Cl D434255
c1ccc(cc1)C(c2ccccc2)(Cl)Cl D434260
C1CCN(CC1)c2c3c(c(nc(n3)Cl)N4CCCCC4)nc(n2)Cl D434265
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])c2c3c(c(nc(n3)Cl)N4C(C(C(C(C4([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])nc(n2)Cl)([2H])[2H])([2H])[2H])[2H] D434267
c1cc-2c(cc1Cl)Cc3c2ccc(c3)Cl D434465
c1cc-2c(cc1Cl)Cc3c2c(cc(c3)Cl)C(=O)CBr D434480
c1coc2c1c(nc(n2)Cl)Cl D434550
c1coc2c1nc(nc2Cl)Cl D434555
CN(C)C(=O)Cc1ccccc1Nc2c(cc(cc2Cl)O)Cl D434620
c1c(cc(c(c1Cl)O)Cl)O D434650
c1ccc2c(c1)CC(=O)N2c3c(cc(cc3Cl)O)Cl D434670
c1c2c(c(nc1Cl)Cl)nc[nH]2 D434825
c1cc(c(cc1Cl)Cl)C(=O)Cc2[nH]ccn2 D434830
c1cn2c(cc(nc2n1)Cl)Cl D434840
c1c[nH]c2c1c(cc(c2)Cl)Cl D434850
C(C(CCl)Cl)OC(CCl)CCl D434855
CC(C)n1cnc2c1nc(nc2Cl)Cl D434870
COc1ccccc1Oc2c(nc(nc2Cl)c3ncccn3)Cl D434910
CC(=O)Nc1c(cc(cc1Cl)OC)Cl D435070
CN(Cc1cccc(c1)OC)CC(c2ccc(c(c2)Cl)Cl)O D435080
[2H]C([2H])([2H])N(Cc1cccc(c1)OC)CC(c2ccc(c(c2)Cl)Cl)O D435082
COc1cc(c(c(c1)Cl)N)Cl D435090
COCOC(CCl)CCl D435100
[2H]C([2H])(C([2H])(C([2H])([2H])Cl)OCOC)Cl D435102
COc1cc(c(c(c1)Cl)Nc2ccccc2)Cl D435105
COc1ccc(c(c1Cl)Cl)C(=O)c2cccs2 D435120
COc1cnc(nc1Cl)Cl D435275
COc1nc(cc(n1)Cl)Cl D435280
COc1c(c(c(c(c1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)[N+](=O)[O-] D435300
Cc1ccc(c(c1Cl)N)Cl D435330
Cc1[nH]c2cc(c(cc2n1)Cl)Cl D435360
Cc1cc2c([nH]1)cc(cc2Cl)Cl D435400
Cc1c(c(nc(n1)Cl)Cl)[N+](=O)[O-] D435450
Cc1c(cc(c(c1[N+](=O)[O-])Cl)Cl)C(F)(F)F D435460
Cc1c(ccnc1Cl)Cl D435480
Cc1cnc(nc1Cl)Cl D435500
Cc1cc(nc(n1)Cl)Cl D435505
Cc1c(ncnc1Cl)Cl D435530
CC(C)Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] D435550
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])Oc1cc(c(cc1Cl)Cl)[N+](=O)[O-] D435552
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCN3c4cc(ccc4CCC3O)O D435560
[2H]C1(C(N(C(C(N1CCCCN2c3cc(ccc3CCC2O)O)([2H])[2H])([2H])[2H])c4cccc(c4Cl)Cl)([2H])[2H])[2H] D435562
CSc1nc(c(c(n1)Cl)C=O)Cl D435570
CSc1nc(cc(n1)Cl)Cl D435580
CSc1nc(c(c(n1)Cl)C#N)Cl D435590
c1cc(c(c(c1)Cl)Cl)C(=O)CCC(=O)O D435595
c1cc(c(c(c1)Cl)Cl)C2CCC(=O)O2 D435600
c1cc(nc2c1ccc(n2)Cl)Cl D435605
c1cc(c(c(c1[N+](=O)[O-])C#N)Cl)Cl D435610
c1c(cc(nc1Cl)Cl)N[N+](=O)[O-] D435615
c1c(cc([n+](c1Cl)[O-])Cl)[N+](=O)[O-] D435620
c1c(cc(nc1Cl)Cl)[N+](=O)[O-] D435625
c1cc(c(c(c1[N+](=O)[O-])CN)Cl)Cl D435630
C([N+](=O)[O-])(Cl)Cl D435635
c1c(c(nc(n1)Cl)Cl)[N+](=O)[O-] D435640
c1nc(c(c(n1)Cl)[N+](=O)[O-])Cl D435645
[2H]C([2H])(C([2H])([2H])n1c(=O)n2ccccc2n1)C([2H])([2H])N3CCN(CC3)c4ccc(c(c4)Cl)Cl.Cl D435992
COC(=O)/C=C/c1ccc(cc1)SSc2ccc(cc2)/C=C/C(=O)OC D436050
c1cc(ccc1C(C#N)c2c(cc(cc2Cl)n3c(=O)[nH]c(=O)cn3)Cl)Cl D436200
c1ccc2c(c1)CC(=O)N2c3c(cccc3Cl)Cl D436440
c1ccc(c(c1)CC(=O)[O-])Nc2c(cccc2Cl)Cl.[Na+] D436450
[2H]c1c(c(c(c(c1[2H])CC(=O)O)Nc2c(cccc2Cl)Cl)[2H])[2H] D436452
c1ccc(c(c1)CC(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O)Nc3c(cccc3Cl)Cl D436475
C=CCOC(=O)C1[C@@H](C([C@H]([C@H](O1)OC(=O)Cc2ccccc2Nc3c(cccc3Cl)Cl)O)O)O D436485
C/C=C(\C(=C/C)\c1ccc(cc1)O)/c2ccc(cc2)O D441815
[2H]c1c(c(cc(c1)/C(=C(/C)\[2H])/C(=C(\C)/[2H])/c2cc(c(c(c2)[2H])O)[2H])[2H])O D441817
[2H]/C(=C(/C(=C(\C)/[2H])/c1ccc(cc1)O)\c2ccc(cc2)O)/C D441818
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O D441870
[2H]C1=C2CC[C@H]3[C@@H]4CC[C@]([C@]4(CCC3=C2CC(C1=O)([2H])[2H])C)(C([2H])([2H])C#N)O D441872
C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CCC1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C.C(CO)NCCO D441880
CCOC(CCCNC=O)OCC D441885
CCOC(C(C)(C)OC(=O)Oc1ccc(cc1)[N+](=O)[O-])OCC D441890
[2H]C([2H])([2H])C(C(OCC)OCC)(C([2H])([2H])[2H])OC(=O)Oc1ccc(cc1)[N+](=O)[O-] D441892
CC(C)(C)[S@@](=O)/N=C/1\CCC(c2c1cccc2)c3ccc(c(c3)Cl)Cl D435650
CC(C)(C)[S@@](=O)/N=C/1\CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435651
COC(=O)Cc1c(cccc1Cl)Cl D435655
c1ccc(c(c1)C=O)Nc2c(cccc2Cl)Cl D435660
c1cc(ccc1C#N)Nc2nc(cc(n2)Cl)Cl D435665
c1cc(ccc1C#N)Nc2n[13c]([13cH][13c](n2)Cl)Cl D435667
c1ccc(c(c1)C(=O)O)Nc2c(cccc2Cl)Cl D435670
c1cc(sc1)C(=O)c2ccc(c(c2Cl)Cl)O D435675
c1cc(c(cc1Cl)Cl)OCC(=O)O D435680
[13cH]1[13cH][13c]([13c]([13cH][13c]1Cl)Cl)OCC(=O)O D435682
[2H]c1c(c(c(c(c1O[2H])Cl)[2H])Cl)[2H] D435687
CN(C)C(=O)Cc1cc(ccc1Nc2c(cccc2Cl)Cl)O D435690
CN(C)C(=O)Cc1cc(ccc1Nc2c(cccc2Cl)Cl)OC D435695
c1ccc(c(c1)CO)Nc2c(cccc2Cl)Cl D435698
CC[Si](CC)(CC)OC12c3ccccc3[C@@H](CC1O2)c4ccc(c(c4)Cl)Cl D435700
c1ccc2c(c1)C(CCC2=O)c3cccc(c3Cl)Cl D435703
c1ccc2c(c1)C(CCC2=O)c3ccc(c(c3)Cl)Cl D435705
c1ccc2c(c1)[C@@H](CCC2=O)c3ccc(c(c3)Cl)Cl D435706
c1ccc2c(c1)[C@H](CCC2=O)c3ccc(c(c3)Cl)Cl D435708
c1ccc\2c(c1)C(CC/C2=N\O)c3ccc(c(c3)Cl)Cl D435710
CC[Si](CC)(CC)OC1=CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435713
c1cc(ccc1SSc2ccc(cc2)Cl)Cl D435715
c1cc(c(c(c1)Cl)Cl)/C(=N/N=C(N)N)/C#N D435717
Cc1ccc(cc1)S(=O)(=O)OCC2COC(O2)(Cn3ccnc3)c4ccc(cc4Cl)Cl D435718
CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435720
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](c2c1cccc2)c3ccc(c(c3)Cl)Cl D435725
Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)S(=O)(=O)C D435730
[2H][C@]1(CC([C@](c2c1cccc2)([2H])O)([2H])[2H])c3ccc(c(c3)Cl)Cl D435742
[2H][C@]1(CC(C(c2c1cccc2)([2H])O)([2H])[2H])c3ccc(c(c3)Cl)Cl D435743
CS(=O)(=O)OC[C@H]1CO[C@](O1)(Cn2cncn2)c3ccc(cc3Cl)Cl D435745
c1cc(c(c(c1)Cl)Cl)N2CCNCC2.Cl D435750
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2cccc(c2Cl)Cl)([2H])[2H])[2H] D435752
COP(Cl)Cl D435755
c1ccc(cc1)CON=C(CCl)CCl D435758
c1[nH]c2c(n1)nc(nc2Cl)Cl D435760
Cn1c(=N)c(cc2c1nc(nc2)SC)c3c(cccc3Cl)Cl D435765
Cn1c2c(cc(c1=O)c3c(cccc3Cl)Cl)cnc(n2)SC D435770
C(C(CCl)Cl)O D435775
[2H]C([2H])(C([2H])(C([2H])([2H])Cl)Cl)O D435777
CC(=O)/N=c\1/c(cc2cnc(nc2n1C)SC)c3c(cccc3Cl)Cl D435780
c1nc2c(n1[C@H]3[C@H](C([C@H](O3)CO)O)O)nc(nc2Cl)Cl D435785
Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)Cl D435790
c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)O D435795
[2H]c1c(n(c(n1)[2H])C([2H])([2H])C([2H])(c2ccc(cc2Cl)Cl)O)[2H] D435796
[2H]C([2H])(C([2H])(c1ccc(cc1Cl)Cl)O)n2ccnc2 D435797
C(C(CCl)O)Cl D435800
[2H]C([2H])(C([2H])(C([2H])([2H])Cl)O)Cl D435802
CN(C)C(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl D435805
[2H]c1c(c(c(c(c1[2H])CC(=O)N(C)C)Nc2c(cccc2Cl)Cl)[2H])[2H] D435807
CN(C)/C=C(/c1[nH]ccn1)\C(=O)c2ccc(cc2Cl)Cl D435810
c1c(cncc1Cl)Cl D435815
c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O D435820
c1c(nc(cn1)Cl)Cl D435825
c1c(c(c(=O)[nH]n1)Cl)Cl D435826
c1c(c(c(=O)[15nH][15n]1)Cl)Cl D435827
c1cnc(cc1Cl)Cl D435830
c1cc(nc(c1C(=O)O)Cl)Cl D435833
c1c(ncnc1Cl)Cl D435835
c1cc([n+](c(c1)Cl)[O-])Cl D435840
c1cnc(nc1Cl)Cl D435845
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3Cl)Cl)OC(=O)C)OC(=O)C D435850
c1c(c(cc(c1Cl)Cl)N)N D435855
c1ccc2c(c1)[C@@H](CCC2O)c3ccc(c(c3)Cl)Cl D435860
c1c2c([nH]n1)nc(nc2Cl)Cl D435865
c1ccc(cc1)COC(=O)CCOP(=O)(Cl)Cl D435870
c1cc(c(c(c1)Cl)CC2CNC2)Cl D435875
CN[C@@H]1CC[C@H](c2c1cccc2)c3cccc(c3Cl)Cl.Cl D435880
c1cc(c(cc1C2CCN2)Cl)Cl.Cl D435885
c1cc(ccc1C(=O)c2cc(ccc2Cl)C(F)(F)F)Cl D435890
c1cc(c(c(c1)Cl)Cl)C2CCN2.Cl D435895
c1cc(cc(c1)n2c(=O)c(c(cn2)Cl)Cl)C(F)(F)F D435900
CC(C(=O)O)Oc1c(cccc1Cl)Cl D435905
c1c(cc(nc1Cl)Cl)C(F)(F)F D435910
c1cc(cc2c1cc(cn2)Cl)Cl D435915
c1cncc(c1Cl)Cl D435920
C(=O)c1c(nc(s1)Cl)Cl D435925
c1cc(c(cc1Cl)Cl)[C@]2(OC[C@@H](O2)CO)Cn3ccnc3 D435930
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2cc(c(c3)Cl)Cl)OC(=O)C)OC(=O)C D435935
C([C@@H](C(=O)O)N)SC=C(Cl)Cl D435940
C([C@@H](C(=O)O)N)S/C(=C/Cl)/Cl D435945
COP(=O)(OC)OC=C(Cl)Cl D435950
[2H]C([2H])([2H])OP(=O)(OC=C(Cl)Cl)OC([2H])([2H])[2H] D435952
c1ccc2c(c1)nc(c(n2)Cl)Cl D435955
Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)OC D435960
CO[13C](=O)[13c]1c(no[13c]1[13CH3])c2c(cccc2Cl)Cl D435962
CCOC(=O)c1c(onc1c2c(cccc2Cl)Cl)C D435965
Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)O D435975
c1c(c(cc(c1S(=O)(=O)N)Cl)Cl)C(=O)O D435980
c1(c(nsn1)Cl)Cl D435985
c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(c(c4)Cl)Cl.Cl D435990
c1ccc(c(c1)CC(=O)[O-])Nc2c(cccc2Br)Cl.[Na+] D436490
CCOC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl D436495
COC(=O)Cc1ccccc1Nc2c(cccc2Cl)Cl D436500
c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N D436530
[13cH]1[13c]([13cH][13c]([13c]([13c]1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N D436532
CN1Cc2cc(ccc2C(C1)c3ccc(c(c3)Cl)Cl)OC D436580
[2H]C([2H])([2H])N1Cc2cc(ccc2C(C1)c3ccc(c(c3)Cl)Cl)OC.Cl D436582
Cc1c(c(no1)c2c(cccc2Cl)Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.O.[NaH] D436650
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N[13C](=O)[13c]3c(no[13c]3[13CH3])c4c(cccc4Cl)Cl)C(=O)[O-])C.O.[Na+] D436652
c1ccc(c(c1)C(c2ccc(cc2)Cl)(C(Cl)(Cl)Cl)O)Cl D436690
c1cc(ccc1C(c2ccc(cc2)Cl)(C(Cl)(Cl)Cl)O)Cl D436700
c1cc(ccc1C#N)C(=O)c2ccc(cc2)C#N D436880
c1c(c(c(c(c1O)C#N)C#N)O)CC(=O)NCCN2C(=O)C=CC2=O D437000
c1ccc(cc1)c2c(nc(c(n2)C#N)C#N)c3ccccc3 D437750
C(CCNCCC#N)CNCCC#N D437925
CN(C)/C=C/C(=C(C#N)C#N)OC D438000
CN(C)/[13CH]=[13CH]/[13C](=C(C#N)C#N)OC D438002
C1CCC(CC1)N=C=NC2CCCCC2 D438500
c1ccnc(c1)CC(C2CCCCC2)(C3CCCCC3)O D438850
C1CCC(CC1)C(=O)C2CCCCC2 D438870
C1CCC2(CC1)OC[C@@H]3[C@@H](O2)[C@H]4[C@@H]([C@H](O3)O)OC5(O4)CCCCC5 D439000
C1CCC(CC1)N/C(=N/C2CCCCC2)/Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)Cl.c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O D439100
C1CCC(CC1)C2CCCC(C2=O)C3CCCCC3 D439200
CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2.Cl D439300
c1cc(c(c(c1)C2CCCCC2)O)C3CCCCC3 D439310
c1ccnc(c1)C=C(C2CCCCC2)C3CCCCC3 D439360
c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OCC4CC4 D439370
c1ccc2c(c1)CCC(O2)C(CNCC(C3CCc4ccccc4O3)O)O D439380
CC1=C(C(CC=C1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C D439400
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#C/C(=C/CO)/C)/C D439410
CCCCc1c(c2ccccc2o1)C(=O)c3ccc(cc3)OCCN(CC)CC D439420
c1cc(ccc1[C@]2(c3ccc(cc3CO2)C#N)CCC(=O)O)F D439440
c1cc(ccc1C2(c3ccc(cc3CO2)C#N)CCCN)Cl.Cl D439450
c1cc(ccc1C2(c3ccc(cc3CO2)C#N)CCCN)F.Cl D439476
[2H]C([2H])(C1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F)C([2H])([2H])C([2H])([2H])N.Cl D439477
c1cc(ccc1[C@@]2(c3ccc(cc3CO2)C#N)CCCN)F.Cl D439485
c1cc(ccc1[C@]2(c3ccc(cc3CO2)C#N)CCCN)F.Cl D439486
c1c(cc(c(c1)O)O)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)O D439500
c1ccc(cc1)[C@@H](CCOc2cccc3c2cccc3)N D439510
CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N)C)O D439550
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)N D439651
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)N.Cl D439655
COc1cc(ccc1O)Cc2c3cc(c(cc3ccn2)O)OC D439750
c1cc2c(cc1Cn3cncn3)c(c[nH]2)CCN.Cl D439780
Cc1c2c([nH]n1)NC(=O)CN=C2c3ccccc3F D439820
c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO)N D439850
c1nc(c2[13c](n1)n([13cH][15n]2)[C@H]3CC[C@H](O3)CO)N D439852
C1[C@H]([C@H]([C@H](N1)[C@@H](CO)O)O)O.Cl D439980
C([C@@H]1[C@@H](C([C@H](N1)CO)O)O)O D440000
c1cc(c(c(c1)Cl)Cl)c2c(=O)[nH]c(=O)[nH]n2 D440400
CC(=O)N[C@H](CF)[C@@H](c1ccc(cc1)S(=O)(=O)C)O D440500
CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN)I.Cl D440750
c1ccc(c(c1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CCN)F D440800
[2H]C([2H])(C([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl)N D440802
CCCN1C[C@H](C[C@H]2[C@H]1Cc3cccc(c3C2)O)NS(=O)(=O)N.Cl D440815
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N1C[C@H](C[C@H]2[C@H]1Cc3cccc(c3C2)O)NS(=O)(=O)N.Cl D440817
c1cc2c(cc1CS(=O)(=O)N3CCCC3)c(c[nH]2)CCN D440830
[2H]C([2H])(c1c[nH]c2c1cc(cc2)CS(=O)(=O)N3CCCC3)C([2H])([2H])N D440832
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N)O)(C)O)C)C)C)O)(C)O D440850
CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)NC=O)O)(C)O)C)C)C)O)(C)O D440860
C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C D440890
C[C@H](CCCC(=O)OC)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C D440895
c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3CC[C@H](O3)CO D440950
c1[nH]c(=O)[13c]2[13c](n1)n(c[15n]2)[C@H]3CC[C@H](O3)CO D440952
C=C1C[C@H](OC1=O)[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O D440955
C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@H](C([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6)[C@H](C(C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)[C@H](NC(=O)[C@H]([C@@H](c1ccc(cc1)O4)O)NC7=O)C(=O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)CO)O)O)(C)N)O D440958
CC(CCCN)Nc1ccnc2c1ccc(c2)Cl D440960
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N D440962
Cc1c([nH]c(c1C(=O)NCCN)C)/C=C\2/c3cc(ccc3NC2=O)F.Cl D440965
[2H]C([2H])(C([2H])([2H])NC(=O)c1c(c([nH]c1C)/C=C\2/c3cc(ccc3NC2=O)F)C)N.Cl D440967
c1cc(ccc1C(CN)C2(CCCCC2)O)O.Cl D440970
c1cc(ccc1C(CN)C2(CCCCC2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D440975
CC(CCCNC(=O)CO)Nc1ccnc2c1ccc(c2)Cl D440980
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])NC(=O)CO D440982
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(CN)C3(CCCCC3)O)C(=O)OC)OC(=O)C D440985
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCNC(=O)OC(C)(C)C)c3ccc(cc3)OC D440990
c1ccnc(c1)C(CCN)c2ccc(cc2)Cl.C(=C\C(=O)O)\C(=O)O D440995
CC(=O)O[C@@H]1[C@@H](Sc2ccccc2N(C1=O)CCN)c3ccc(cc3)OC.Cl D441050
[2H]C([2H])(C([2H])([2H])N1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c3ccc(cc3)OC)N.Cl D441052
C#Cc1cccc(c1)Nc2c3cc(c(cc3ncn2)OCCO)OCCO.Cl D441105
c1cc(ccc1CCNCC(c2ccc(cc2)O)C3(CCCCC3)O)O D441110
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C([2H])(CNCCc2ccc(cc2)O)c3ccc(cc3)O)O)([2H])[2H])([2H])[2H])[2H] D441112
CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OCCN)/c3ccccc3 D441115
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN)/c3ccccc3 D441120
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN=[N+]=[N-])/c3ccccc3 D441125
c1ccc(cc1)C(CCN2CCC(CC2)(c3ccc(cc3)Cl)O)(c4ccccc4)C(=O)N D441135
COc1ccc(cc1)CCNCC(c2ccc(cc2)OC)C3(CCCCC3)O D441150
CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)N D441165
[2H]C1(C(C(C1([2H])[2H])(c2ccc(cc2)Cl)C(CC(C)C)N)([2H])[2H])[2H] D441167
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN)/c3ccccc3 D441200
CNC[C@H]1CCCC[C@@]1(c2cccc(c2)O)O D441220
[2H]C([2H])([2H])NC[C@H]1CCCC[C@@]1(c2cccc(c2)O)O D441222
CNC[C@@H]1CCCC[C@]1(c2cccc(c2)O)O D441225
CNC[C@H]1CCCC[C@@]1(c2cccc(c2)O)O D441230
CNC[C@H]1CCCC[C@@]1(c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O D441235
CNC[C@H]1CCCC[C@@]1(c2cccc(c2)OS(=O)(=O)O)O D441240
CCC(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N.Cl D441350
[2H]C([2H])([2H])C([2H])([2H])C(COC(=O)c1cc(c(c(c1)OC)OC)OC)(c2ccccc2)N.Cl D441352
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)c5ccc(cc5)N)C)O D441450
COc1ccc(cc1)C(CN)C2(CCCCC2)O D441570
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(C(CN)c2ccc(cc2)OC)O)[2H] D441572
CNCC(c1ccc(cc1)O)C2(CCCCC2)O D441575
[2H]C([2H])([2H])NCC(c1ccc(cc1)O)C2(CCCCC2)O D441577
CNCC(c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3(CCCCC3)O.Cl D441585
c1cc2c(cc1CC3COC(=O)N3)c(c[nH]2)CCN D441650
[2H]C([2H])(c1c[nH]c2c1cc(cc2)CC3COC(=O)N3)C([2H])([2H])N D441652
Cc1ccc(c(c1)C(CCN)c2ccccc2)O D441750
C1C2[C@H]3[C@@H](C1C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)O3 D441780
C/C=C(/C(=C/C)/c1ccc(cc1)O)\c2ccc(cc2)O D441810
CCOC(CCCCOS(=O)(=O)C)OCC D441910
CCOC(CNC(=N)Nc1c(ccc2c1nsn2)Cl)OCC D441915
CCOC(CCCC=O)OCC D441925
CCOC(CCCCO)OCC D441930
CCOC(OCC)CCCCOCC12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3 D441950
CCOP(=O)(c1ccc(cc1)C(=O)O)OCC D441960
CCOP(=O)(Cc1ccc(cc1)C(=O)O)OCC D441970
CCOP(=O)(C1(CCC=[N+]1[O-])C)OCC D442000
CCOC(=O)/C=C(/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)\OP(=O)(OCC)OCC D442050
CCOP(=O)(C1(CCC=[N+]1[O-])CCc2ccccc2)OCC D442070
CCN(CC)CCc1cccc(c1)[N+](=O)[O-] D444620
CCN(CC)CCOc1ccc(cc1)[N+](=O)[O-] D444630
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)[N+](=O)[O-])N(CC)CC D444632
CCn1c(c(c(=O)n(c1=O)CC)N=O)N D444650
CCN(CC)[C@@H](C)[C@H](c1ccccc1)O D444670
[2H]C([2H])([2H])C([2H])([2H])N([C@@H](C)[C@H](c1ccccc1)O)C([2H])([2H])C([2H])([2H])[2H] D444672
CCOC(=O)C(CCC=O)C(=O)OCC D444680
CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)c3ccccc3 D444700
CCOP(=O)([O-])OCC.[Na+] D444720
[13CH3][13CH2]OP(=O)([O-])O[13CH2][13CH3].[Na+] D444722
CCOP(=O)(CO[C@@H](C)Cn1cnc2c1ncnc2N)OCC D444750
[2H]C([2H])([2H])C([2H])(C([2H])([2H])n1cnc2c1ncnc2N)OCP(=O)(OCC)OCC D444752
CCOC(=O)c1ccccc1C(=O)OCC D444770
[2H]c1c(c(c(c(c1[2H])C(=O)OCC)C(=O)OCC)[2H])[2H] D444772
CCOC(=O)CN(CCON1C(=O)c2ccccc2C1=O)CC(=O)OCC D444775
CCOP(=O)(C/C(=C/C#N)/C)OCC D444780
CCOP(=O)(C/C(=[13CH]/[13C]#N)/C)OCC D444782
CCN(CC)C(C)C(=O)c1ccccc1.Cl D444785
[2H]C([2H])([2H])C([2H])([2H])N(C(C)C(=O)c1ccccc1)C([2H])([2H])C([2H])([2H])[2H].Cl D444787
CCCC(CCC(=O)OCC)(C(=O)OCC)C(=O)OCC D444790
CCCc1[nH]c(c(n1)C(=O)OCC)C(=O)OCC D444795
CCCC(C(=O)OCC)C(=O)OCC D444805
CCOC(=O)NC(c1cccnc1)NC(=O)OCC D444850
CCN(CC)C(=O)Oc1cccc(c1)[C@H](C)N(C)C D444950
[2H]C([2H])([2H])C([2H])([2H])N(C(=O)Oc1cccc(c1)[C@H](C)N(C)C)C([2H])([2H])C([2H])([2H])[2H] D444952
CC/C(=C(/CC)\c1ccc(cc1)OC(=O)C)/c2ccc(cc2)O D445015
CCOP(=O)(C1(CCCN1)CCc2ccccc2)OCC D442090
CCCCCCCCc1ccc(cc1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C D443125
CCN(CC)Cc1cc(ccc1O)NC(=O)C D443180
[2H]C([2H])([2H])C([2H])([2H])N(Cc1cc(ccc1O)NC(=O)C)C([2H])([2H])C([2H])([2H])[2H] D443182
CCOC(=O)CC(c1ccc(cc1)Cl)C(C(=O)C)C(=O)OCC D443240
[2H]c1c(c(c(c(c1C(CC(=O)OCC)C(C(=O)C)C(=O)OCC)[2H])[2H])Cl)[2H] D443242
[2H]C([2H])([2H])C([2H])([2H])N(CC#N)C([2H])([2H])C([2H])([2H])[2H] D443352
CCC.CC[CH2].CCN(CC)N(N=O)O D443500
CCN(CC)CC#CCO D443505
CCN(CC)C(c1ccccc1)C(=O)OCC D443550
[2H]C([2H])([2H])C([2H])([2H])N(C(c1ccccc1)C(=O)OCC)C([2H])([2H])C([2H])([2H])[2H] D443552
CCN(CC)CCCCNc1ncc2cc(c(nc2n1)N)c3cc(cc(c3)OC)OC D443570
CCN(CC)c1ccc(cc1)/C=N/NC(=N)N.CC(=O)O D443580
CCC(CC)C(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c1ncnc2N)OCOC(=O)OC(C)C D443590
CC[N+](=c1ccc-2nc3c4ccccc4c(cc3oc2c1)Oc5nc(nc(n5)Cl)Cl)CC.[Cl-] D443600
CCN(CC)CCS.Cl D443610
CCN(CC)CCOCCO D443615
[2H]C([2H])([2H])C([2H])([2H])N(CCOCCO)C([2H])([2H])C([2H])([2H])[2H] D443617
CCN(CC)CCO.Cl D443620
CCCCCCCCOc1ccccc1C(=O)Nc2ccc(cc2)C(=O)OCCN(CC)CC D443625
CCOC(=O)C(C(=O)OCC)N D443645
CCN(CC)Cc1cc(ccc1O)[N+](=O)[O-] D443650
[2H]C([2H])([2H])C([2H])([2H])N(Cc1cc(ccc1O)[N+](=O)[O-])C([2H])([2H])C([2H])([2H])[2H] D443652
CCN(CC)CCCCCCCCO D443655
CCN(CC)c1ccc(cc1)/C=C/C=C/C=O D443665
CCN(CC)S(F)(F)F D443670
CCn1c(cc(=O)n(c1=O)CC)N D443675
CCC(CC)C(C(=O)O)N D443720
CCC(CC)[C@@H](C(=O)O)N D443723
CCC(CC)[C@@H](C(=O)O)N D443725
CCN(CC)CCNc1cccc2c1cccc2.C(=O)(C(=O)O)O D443735
CC[NH2+]CC.CCN(CC)C(=S)[S-] D443750
[HH].CCNCC.OOP(=O)=O D443755
CCOC(=O)/N=N/C(=O)OCC D443765
CCOC(=O)C(Cc1ccccc1)C(=O)OCC D443780
CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C D443800
CCN(CC)C(=O)c1ccccc1Br D443830
CCOC(=O)C(CCCBr)C(=O)OCC D443850
CCOP(=O)(CCCBr)OCC D443860
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C(=O)OCC)C(=O)OCC D443882
CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O D443900
[2H]C([2H])([2H])N1CCN(CC1)C(=O)N(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O D443902
CCN(CC)C(=O)N1CC[N+](CC1)(C)[O-] D443910
CCN(CC)C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N D443920
CCN(CC)C(=O)S(=O)CC(C(=O)NCC(=O)O)NC(=O)CC(C(=O)O)N D443925
CCOC(=O)CCCCC(C(=O)OCC)C(=O)OCC D443980
CCN(CC)C(=O)c1ccc(=O)n(c1)c2ccccc2 D444015
[2H]C([2H])([2H])C(c1ccc2c3cc(ccc3[nH]c2c1)Cl)(C(=O)OCC)C(=O)OCC D444027
CCOC(=O)C(Cc1c[nH]c2c1ccc(c2)Cl)(C(=O)OCC)NC(=O)C D444035
CCOC(=O)C(Cc1c[nH]c2c1ccc(c2)Cl)(C(=O)OCC)NC=O D444040
CCOC(=O)/C=C(\C(=O)OCC)/Cl D444050
CCOC(=O)C(C(=O)OCC)Cl D444060
CCOC(=O)C(CCCCCCOc1ccc(cc1)Cl)C(=O)OCC D444075
CCOP(=O)(OCC)Cl D444095
[2H]C([2H])([2H])C(C1CCc2c3cc(ccc3[nH]c2C1)Cl)(C(=O)OCC)C(=O)OCC D444122
CCN(CC)C(=O)CC#N D444140
[2H]C([2H])([2H])C([2H])([2H])OP(=S)(OC([2H])([2H])C([2H])([2H])[2H])Cl D444162
CCOP(=O)(CC#N)OCC D444165
CCOC(=O)C1(CCC1)C(=O)OCC D444170
[2H]C1(CC(C1(C(=O)OCC)C(=O)O2CC2)([2H])[2H])[2H] D444172
CCOC(=O)C1(CC1)C(=O)OCC D444175
CCn1c(c(c(=O)n(c1=O)CC)N)N D444180
CCOC(=O)C(C)(Cc1ccc(cc1)C(C)(C(=O)OCC)C(=O)OCC)C(=O)OCC D444200
[2H]C([2H])([2H])C(c1ccc(cc1)CC(C)(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC D444202
CCOC(CP(=O)(OCC)OCC)OCC D444210
CCOP(=O)(C(F)F)OCC D444220
CCOP(N(C(C)C)C(C)C)OCC D444250
CCOP(=O)(Cc1cc(cc(c1)OC)OC)OCC D444260
CCOP(=S)(OCC)S.N D444265
[13CH3][13CH2]OP(=S)(O[13CH2][13CH3])S.N D444267
CCN(CC)C(=S)[S-].[Na+] D444270
[2H]C([2H])([2H])CN(CC([2H])([2H])[2H])C(=S)[S-].[Na+] D444272
CS(=O)(=O)OCCOCCOS(=O)(=O)C D444275
CCC(c1ccc(cc1)OCC)(C(=O)OCC)C(=O)OCC D444280
[2H]C([2H])([2H])C([2H])([2H])C(c1ccc(cc1)OCC)(C(=O)OCC)C(=O)OCC D444282
C(COCCO)O D444285
CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C(=O)C(F)(F)F D444290
CC(C)(C)OC(=O)CN(CCNC(=O)C(F)(F)F)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C D444295
CCOC=C(C(=O)OCC)C(=O)OCC D444300
CCOc1ccc(cc1)C(C(=O)OCC)C(=O)OCC D444320
CC(=C)C(=O)OCCOCCOC(=O)C(=C)C D444350
CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C D444380
[2H]C([2H])([2H])CC(C(=O)OCC)(C(=O)OCC)NC(=O)C D444382
CC[C@@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]4[C@@H]3CCC5(C4)OCC(CO5)(CC)CC D444390
CCOP(=O)(CCCNO)OCC D444400
CCN(CC)C(=O)[C@@]1(C[C@@H]1CO)c2ccccc2 D444410
CCOC(=O)C[C@H](C(=O)OCC)O D444415
CCO[13C](=O)[13CH2][13C](=O)OCC D444422
[2H]C([2H])([2H])C(C(=O)OCC)C(=O)OCC D444432
CCOP(=O)(C)SCC D444460
CCCC(C)(C(=O)OCC)C(=O)OCC D444505
[2H]C([2H])([2H])C(CCC)(C(=O)OCC)C(=O)OCC D444507
CCc1c([n+](cc(n1)C)[O-])CC D444525
CCOP(=O)(C1(CCCN1)C)OCC D444550
CCOc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4OCC)C D444590
[2H]C([2H])([2H])C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4OC([2H])([2H])C([2H])([2H])[2H])C D444592
CCN(CC)C(=O)c1cccc2c1cccc2 D444610
CCN(CC)C(=O)Cc1cccc(c1)[N+](=O)[O-] D444615
CC/C(=C(/CC)\c1ccc(cc1)O[C@H]2[C@@H](C([C@@H]([C@H](O2)C(=O)O)O)O)O)/c3ccc(cc3)O D445020
CC/C(=C(\CC)/c1ccc(cc1)O)/c2ccc(cc2)O D445025
CC/C(=C(/CC)\c1ccc(cc1)O)/c2ccc(cc2)O D445026
[2H]c1cc(cc(c1O)[2H])/C(=C(/c2cc(c(c(c2)[2H])O)[2H])\C([2H])([2H])C)/C([2H])([2H])C D445027
CCc1cccc2c1[nH]c3c2C(=O)COC3(CC)CC(=O)OC D445030
CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)OC D445035
CCc1cc(cc(n1)CC)C(=S)N D445100
CCOP(=O)(OCC)S.N D445120
[13CH3][13CH2]OP(=O)(O[13CH2][13CH3])S.N D445122
CCN(CC)C(=S)Cl D445250
CCOP(=O)(COS(=O)(=O)c1ccc(cc1)C)OCC D445260
CCOC(=O)C(C(=O)OCC)NC(=O)N D445280
c1ccc(cc1)c2ccc(cc2)C3Cc4ccccc4C(C3)c5c(c6ccccc6oc5=O)O D445350
c1cc(c(cc1C=O)O)OC(F)F D446005
C#Cc1ccc(c(c1)F)F D446010
c1c(c(c(cn1)F)C(=O)O)F D446015
C[C@@H](C(=O)N)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D446020
C[C@@H](C(=S)N)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D446025
C[C@@H](C#N)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D446030
c1ccc(cc1)[C@H](C(=O)O)O.c1cc(c(cc1[C@@H]2C[C@H]2N)F)F D446035
c1cc(c(c(c1)F)C#N)F D446040
c1cc(c(cc1F)F)C2(CO2)Cn3cncn3 D446045
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC3CCC3)[C@H](C(=O)N)O)C2(C)C)C(C)(C)C D448647
C[C@H]([C@H](c1cccc(c1)Cl)O)NC(C)(C)C D448650
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N[C@H](C)[C@H](c1cccc(c1)Cl)O D448652
C[C@H]([C@H](c1cccc(c1)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC(C)(C)C D448655
C[C@@H]([C@H](c1cccc(c1)Cl)O)NC(C)(C)C D448675
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N[C@@H](C)[C@H](c1cccc(c1)Cl)O D448677
C[C@@H]([C@H](c1cccc(c1)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC(C)(C)C D448680
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@H]4[C@@]3(C=CC(=O)C4)C D448685
c1cc(c(cc1CCC(=O)O)O)O D448700
c1cc(c(cc1CCC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O D448705
c1ccc(cc1)C2(CCN(CC2)CCC(C#N)(c3ccccc3)c4ccccc4)C(=O)O D445400
[2H]C([2H])(C([2H])([2H])N1CCC(CC1)(c2ccccc2)C(=O)O)C(C#N)(c3ccccc3)c4ccccc4 D445402
c1ccc2c(c1)CC(CC2c3c(c4ccccc4sc3=O)O)c5ccc(cc5)c6ccc(cc6)Br D445450
C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F D445495
C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F D445500
c1cc(c(c(c1)F)N)F D445530
c1cc(c(c(c1N)C(=O)O)F)F D445550
CN1CCN(CC1)c2cc3c(cc2F)c(=O)c(cn3c4ccc(cc4)F)C(=O)O.Cl D445600
CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C D445620
c1cc(cc(c1)Oc2c(cccn2)C(=O)Nc3ccc(cc3F)F)C(F)(F)F D445640
[2H]c1cc(c(c(c1C(F)(F)F)[2H])Oc2c(cccn2)C(=O)Nc3ccc(cc3F)F)[2H] D445642
c1ccc(c(c1)F)F D445655
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O)O)O)c2ccc(cc2)F)c3ccc(cc3)F)C(=O)Nc4ccccc4 D445660
c1ccc2c(c1)[C@H](c3ccccc3[C@H]4[C@@H]2C4(F)F)[n+]5ccncc5.[Br-] D445665
c1ccc2c(c1)[C@H](c3ccccc3[C@H]4[C@@H]2C4(F)F)N5CCNCC5 D445670
C1C[C@H]([C@H](C[C@@H]1C(=O)O)F)F D445675
c1cc(c(cc1C=O)F)F D445680
[2H]C([2H])(c1c(cccc1F)F)n2cc(nn2)C(=O)OC D445687
[2H]C([2H])(c1c(cccc1F)F)N=[N+]=[N-] D445692
C1CC(CCC1C(=O)O)(F)F D445695
CC(=O)Nc1ccc2c(c1)OC(O2)(F)F D445700
c1cc(c(cc1F)C(=O)C2CCNCC2)F.Cl D445705
c1cc(c(cc1F)F)C(=O)O D445710
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4F)F D445715
C1CC(CCC1N)(F)F.Cl D445720
CC(C)(c1ccc(cc1F)F)O D445725
C=C(CO)c1ccc(cc1F)F D445730
c1cc(c2c(c1O)C(=O)c3c(ccc(c3C2=O)F)F)O D445735
c1c(=O)[nH]c(=O)n(c1)[C@@H]2O[C@@H](C([C@]2(F)F)O)CO D445740
c1c(=O)[15nH][13c](=O)[15n](c1)[C@@H]2O[C@@H](C([C@]2(F)F)O)CO D445742
c1ccc(cc1)C(=O)OC[C@H]2O[C@H]([C@@](C2OC(=O)c3ccccc3)(F)F)n4c(=O)[nH]c(=O)cc4 D445743
CC1COc2c3n1cc(c(=O)c3cc(c2F)F)C(=O)O D445745
CCOC(=O)c1cn2c3c(c1=O)cc(c(c3OC[C@@H]2C)F)F D445748
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)OP(=O)(O)O D445750
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O D445751
[2H]c1c(c(c(c(c1c2ccc(cc2F)F)[2H])C(=O)O)O)[2H] D445752
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)S)O)C)O)F)C)F D445755
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)S D445765
[2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)S D445767
c1cc(c(cc1c2ccc(c(c2)F)F)C(=O)O)O D445770
c1cc(cnc1)C(C(C(=O)O)(F)F)O D445775
c1cc(cnc1)C(C(C(=O)N)(F)F)O D445780
c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@@H](O2)n3ccc(=O)[nH]c3=O)(F)F)OC(=O)c4ccccc4 D445785
c1cc(ccc1C(C(=O)O)(F)F)F D445790
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O D445795
[B-]1(n2c(ccc2C(=C3[N+]1=C(C=C3)c4cccc5c4cccc5)c6ccc(cc6)I)c7cccc8c7cccc8)(F)F D445800
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)OS(=O)(=O)O D445805
C1CNCC1(F)F.Cl D445810
C(C(F)F)N.Cl D445815
COc1cc[n+](c(c1OC)CSc2[nH]c3ccc(cc3n2)OC(F)F)[O-] D445820
CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)CO D445825
C[C@@H](C(=O)O)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D445830
[2H]C([2H])([2H])[C@H](C(=O)O)[C@](Cn1cncn1)(c2ccc(cc2F)F)O D445832
c1cc2c(cc1OC(F)F)nc([nH]2)S D445835
C(CC(C(F)F)(C(=O)O)N)CNC(=N)N D445840
C(F)(F)(P(=O)(O)O)P(=O)(O)O D445845
c1c2c(c(c(c1F)N3C[C@@H]4CCCN[C@@H]4C3)F)n(cc(c2=O)C(=O)O)C5CC5 D445850
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OC(O2)(F)F D445855
c1c(c(cc2c1OC(O2)(F)F)[N+](=O)[O-])N D445860
CC(c1ccc(cc1F)F)N D445865
c1cc(c(cc1F)F)N=C=S D445870
C[C@@H](C(=O)O)NC(=O)Cc1cc(cc(c1)F)F D445875
c1cc(c(cc1F)F)C(=O)CCC(=O)O D445880
c1cc(c(cc1F)F)C(=O)Cn2cncn2 D445885
CCOC(=O)C(CC(=C)c1ccc(cc1F)F)C(=O)OCC D445890
c1cc(c(c(c1)F)OC(F)(F)F)F D445895
C[C@@H]1[C@](OC(=O)N1)(Cn2cncn2)c3ccc(cc3F)F D445900
[2H]C([2H])([2H])[C@H]1[C@](OC(=O)N1)(Cn2cncn2)c3ccc(cc3F)F D445902
c1cc(oc1C=O)C=O D445905
CC1=C(COC1=O)c2ccc(cc2F)F D445910
C[C@H](C(=O)N1[C@H](COC1=O)Cc2ccccc2)[C@]3(CO3)c4ccc(cc4F)F D445915
[2H]C([2H])([2H])[C@@H](C(=O)N1[C@H](COC1=O)Cc2ccccc2)[C@]3(CO3)c4ccc(cc4F)F D445917
c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)O D445920
CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)C D445925
C[C@]12C(=O)OC[C@]1(O2)c3ccc(cc3F)F D445930
c1cc(c(cc1C2CCCCCN2)F)F.Cl D445935
CC(C)C1CCC(NCC1)c2ccc(c(c2)F)F.Cl D445940
[2H]C([2H])(c1c(cccc1F)F)O D445947
CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](C[C@@H](OC2C)O[C@H]3[C@@H](C[C@@H](OC3C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)O)O)O)O D445950
c1cc(c(cc1F)F)CC2CNC2 D445955
c1cc(c(cc1CC2CNC2)F)F D445960
CC1CCC(NCC1)c2ccc(c(c2)F)F.Cl D445965
c1cc(c(cc1C2CNC2)F)F D445970
c1c(cc(cc1F)F)C2CNC2 D445975
C1C(CC1(F)F)N.Cl D445980
CCOC(=O)c1c(=O)c2cc(c(cc2n3c1SC3C)F)F D445985
CC1[C@H]([C@@H](C[C@@H](O1)O)O)O D445990
C(CNC(=O)CN)NC(=O)CN D445995
C(CNC(=O)CN(CC(=O)O)CC(=O)O)NC(=O)CN(CC(=O)O)CC(=O)O D446000
c1cc(ccc1C#N)C(F)F D446050
c1cc(ccc1n2cc(c(=O)c3c2cc(c(c3)F)F)C(=O)O)F D446055
C[C@H]1C(=O)O[C@@]1(Cn2cncn2)c3ccc(cc3F)F D446060
c1cc(c(cc1F)F)C(Cn2cncn2)(CO)O D446080
CS(=O)(=O)SCC(CSS(=O)(=O)C)(F)F D446100
CC(CCl)(F)F D446150
C(CC(=O)N[C@@H](CSCCN(CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)P(=O)(N)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N D446250
[2H]C([2H])(CN(CC([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)P(=O)(N)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N D446252
COCCOCCOC D446300
[2H]C([2H])([2H])OCCOCCOC([2H])([2H])[2H] D446302
C1[C@H]([C@@H](C(C([C@H]1NC(=O)[C@H](CCN)O)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)NC(=O)[C@H](CCN)O D446375
C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)NC(=O)[C@H](CCN)O)O)NC(=O)[C@H](CCN)O D446380
C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CNC(=O)[C@H](CCN)O)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)NC(=O)[C@H](CCN)O D446385
CCCCCCCCCCCCCCCC[n+]1c2ccccc2oc1/C=C/C=C\3/N(c4ccccc4O3)CCCCCCCCCCCCCCCC.[I-] D446390
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(O5)O)C D446395
[2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@]([2H])(C([2H])([2H])[2H])O D446402
C[C@@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)O.[Na+] D446405
[2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)[C@]([2H])(C([2H])([2H])[2H])O.[Na+] D446407
C1COC=C1 D446410
CC(C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O D446420
[2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C([2H])(C([2H])([2H])[2H])O D446422
C[C@H](C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)O.[Na+] D446425
[2H][C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C)C([2H])(C([2H])([2H])[2H])O.[Na+] D446427
C[C@H](Cc1cc2ccn(c2c(c1)C(=O)N)CCCO)NCCOc3ccccc3OCC(F)(F)F D446450
CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2[C@@H](C[C@@H](OC2C)O[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4C[C@H]([C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O)C)O)O)O D446500
CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O D446505
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4C(OC(CC4O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6C[C@H]([C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)C)C)C)C)O)O D446510
C1CNC(=O)C=C1 D446515
C1CCC2(CC1)O[C@@H]3C=CC(=O)[C@@H]3O2 D446520
c1ccc2c(c1)C(c3cc(ccc3S2)C(F)(F)F)(C(CCN4CCN(CC4)CCO)O)O D446525
CC(C)OC1[C@@H]2[C@H](C(=O)O1)OC3(O2)CCCCC3 D446530
C(C(=O)O)(I)I D446535
CC(C)N(CCC(c1ccccc1)c2ccccc2)C(C)C D446540
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2ccccc2)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D446542
C(#N)C(I)I D446560
Cn1c2ccc(cc2nc1CCCC(=O)O)N(CCO)CCO D446565
[2H]C([2H])([2H])n1c2ccc(cc2nc1CCCC(=O)O)N(CCO)CCO D446567
CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O D446575
[2H]C1=C(C(OC1=O)([2H])[2H])[C@H]2CC[C@]3([C@@]2([C@@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)C)O)C)O D446577
c1ccc\2c(c1)CC(=O)c3ccccc3/C2=C\CCO D446580
CC(Cc1cc(c(cc1OC)Br)OC)N D446585
[2H]C([2H])([2H])Oc1cc(c(cc1Br)OC([2H])([2H])[2H])CC(C)N D446587
Cc1cc(c(cc1OC)CC(C)N)OC.Cl D446590
[2H]C([2H])([2H])Oc1cc(c(cc1CC(C)N)OC([2H])([2H])[2H])C.Cl D446592
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2CC([C@H]2C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)(OC)OC)C(C)C D446595
COc1cc2c(cc1OC)nc(nc2N)N D446600
CC(Cc1cc(c(cc1OC)Cl)OC)N.Cl D446605
[2H]C([2H])([2H])Oc1cc(c(cc1Cl)OC([2H])([2H])[2H])CC(C)N.Cl D446607
Cc1cc(c(c(c1O)OC)OC)O D446610
[2H]C([2H])([2H])Oc1cc(c(cc1I)OC([2H])([2H])[2H])CC(C)N D446622
CN(C)C/C=C/C(=O)O.Cl D446630
[2H]C([2H])([2H])N(C/C=C/C(=O)O)C([2H])([2H])[2H].Cl D446632
CN(C)C/C=C/C(=O)OC D446635
[2H]C([2H])([2H])N(C/C=C/C(=O)OC)C([2H])([2H])[2H] D446637
CC(CC(c1ccccc1)(c2ccccc2)C(=O)O)N(C)C D446640
Cc1cccc(c1NC(=O)C)C D446680
[2H]C([2H])([2H])C(=O)Nc1c(cccc1C)C D446682
Cc1cc([nH]c1C=O)C D446690
CNC(=S)NC D446750
[2H]C([2H])([2H])NC(=S)NC([2H])([2H])[2H] D446752
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])N1CCOCCOCCN(CCOCCOCC1)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] D447502
C1CCC(CC1)C2(CCCCC2)C(=O)OCCN3CCCCC3.[Cl] D448200
CC(C)(C)OC(=O)N1CCC(C1)C(C#N)(c2ccccc2)c3ccccc3 D448300
c1cc2cccc3c2c(c1)CC3 D448330
c1cc2[13c]3[13c](c1)[13cH][13cH][13cH][13c]3CC2 D448332
[2H]C([2H])([2H])[C@@H]([C@@H](c1cnc2c(n1)C(=O)NC(N2)NC(=O)C)OC(=O)C)OC(=O)C D448347
C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)O)C D448360
[2H]C([2H])([2H])[C@@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O[C@@H]1O)O[C@@](CC3)(OO4)C)C D448362
[2H][C@]1([C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](CC3)(OO4)C)C)[13C]([2H])([2H])[2H])O D448363
C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C D448370
C[C@@H]1CC[C@H]2[C@H](C(O[C@@H]([C@@]23[C@H]1CCO3)OC(=O)C)O)C D448375
[2H]C([2H])([2H])[C@H]1[C@@H]2CC[C@H]([C@H]3[C@@]2([C@H](OC1O)OC(=O)C)OCC3)C D448377
CCN1c2ccccc2C(C1/C=C/C=C/3\C(c4ccccc4N3CC)(C)C)(C)C D448380
CS(=O)(=O)O.c1ccc2c(c1)c3c([nH]2)C(=O)NCCC3=O D448390
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)Cl)O)C)C)OC(=O)CC D448400
CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C=CC4=CC(=O)CC[C@@]43C)Cl)O)C)C)OC(=O)CC D448405
c1ccc2c(c1)ccc3c2cc4cccc5c4c3CC5O.c1ccc2c(c1)cc3c4ccccc4cc5c3c2CC5O D448410
[2H][13C]1(c2c3ccccc3cc4c2c(cc5c4cccc5)[13C]1([2H])O[2H])[2H].[2H][13C]1(c2c3ccc4ccccc4c3cc5c2c(ccc5)[13C]1([2H])O[2H])[2H] D448412
CC(=O)O/N=C/1\CCCc2c1cc3ccc4cccc5c4c3c2cc5 D448415
c1cc2ccc3cc\4c(c5c3c2c(c1)cc5)CCC/C4=N\O D448425
c1cc2c(cc1CN)CCO2.Cl D448450
c1ccc2c(c1)CCCC(=O)N2 D448475
c1ccc2c(c1)CCc3c(ccs3)C2=O D448480
c1cc2c(cc1CC(=O)O)CCO2 D448485
[2H]C([2H])(c1ccc2c(c1)CCO2)C(=O)O D448487
c1cc2c(cc1C=O)CCO2 D448490
COC(=O)Cc1ccc2c(c1)CCO2 D448495
[2H]C([2H])(c1ccc2c(c1)CCO2)C(=O)OC D448497
[2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])O D448502
[2H]C([2H])(c1ccc2c(c1)CCO2)C([2H])([2H])N3CCC(C3)C(C#N)(c4ccccc4)c5ccccc5 D448507
C[C@H](c1ccc2c(c1)NCCO2)N D448510
c1cc(c2c(c1)OCC2)C(=O)O D448520
c1cc(c2c(c1)OCC2)CO D448525
c1ccc(cc1)CNc2c3ccccc3nc4c2C(=O)CCC4 D448530
C[C@@H]([C@@H](C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O D448550
[2H]C([2H])([2H])[C@@H]([C@@H](C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O D448552
CC[C@H](C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C D448570
[2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C D448572
c1cc2c(nc1)/C(=N/Nc3ccc(cc3)Br)/CCC(=O)N2 D448600
COCOc1cc2c(cc1OC)CCC2=O D448610
COCOc1cc2c(cc1OC)C(=O)CC2 D448615
CC(c1n[nH]c(=O)n1CCOc2ccccc2)OCOC D448625
CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C D448640
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC3CCC3)[C@H](C(=O)N)O)C2(C)C)C(C)(C)C D448642
c1cc(c(cc1CCC(=O)[O-])OS(=O)(=O)[O-])O.[Na+].[Na+] D448710
CC(C)CCCCCCC(=O)NCc1ccc(c(c1)OC)O D448750
[2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCCCCC(C)C D448752
c1ccc2c(c1)CCc3ccccc3N2C(=O)N D448765
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](CCCCCCCCCCCCCCC)O D448780
c1ccc(cc1)CCC(=O)NCCCCCC(=O)O D448800
c1ccc(cc1)CCC(=O)NCCCCCC(=O)ON2C(=O)CCC2=O D448810
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C)O D448820
CN1CCC[C@H]1CC(CC2CCCN2C)O.Cl D448830
[2H]C([2H])([2H])N1CCC[C@@H]1CC(C[C@@H]2CCCN2C([2H])([2H])[2H])O D448832
CC1(Nc2c(ncn2[C@H]3[C@@H]4C([C@H](O3)CO)OC(O4)(C)C)C(=O)N1)C D448835
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C)O D448840
[HH].CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@H]3[C@@H]1C5)O)OC.OOP(=O)=O D448850
[HH].[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](CC[C@H]3[C@@H]1C5)O)OC([2H])([2H])[2H].OOP(=O)=O D448852
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)O)C)O D448855
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O D448860
CCCC[C@@H](C)[C@H](C(C(=O)CCCCCCC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)N(C)C)O D448865
c1ccc2c(c1)CCc3ccccc3N2 D448870
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)CO)C)O)F)C D448875
C[C@]12CCC(C[C@H]1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C)OS(=O)(=O)O D448880
c1cc2c3c(c1)c(=O)c4cc(ccc4c3c5cccc6c5c2c7ccc(cc7c6=O)OCCCC(=O)ON8C(=O)CCC8=O)OCCCC(=O)ON9C(=O)CCC9=O D448885
CC(=O)CCCCOc1c2c(ncn2C)n(c(=O)n1)C D448890
CC1(C=C(C(N1O)(C)C)CON2C(=O)c3ccccc3C2=O)C D448895
COc1cc(ccc1O)CCC(=O)O D448900
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2OC)CCC(=O)OC)C(=O)OC)OC(=O)C D448905
COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D448910
COc1cc(ccc1OS(=O)(=O)[O-])CCC(=O)[O-].[Na+].[Na+] D448915
c1cc2c(cc1O)c3c([nH]2)cc4c5cc(ccc5[nH]c4c3C=O)O D448920
c1cc2c3c(cc4c5cc(ccc5[nH]c4c3C=O)O)[nH]c2c(c1)O D448925
c1cc2c3cc4c(c5cc(ccc5[nH]4)O)c(c3[nH]c2c(c1)O)C=O D448930
c1cc2c(cc1Cl)[C@](OC(=O)N2)(/C=C/C3CC3)C(F)(F)F D448935
COc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D448940
[2H]C([2H])([2H])Oc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D448942
COc1ccc(cc1OS(=O)(=O)O)CCC(=O)O D448945
[2H]C([2H])([2H])Oc1ccc(cc1OS(=O)(=O)O)CCC(=O)O D448947
CCC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC)C)\C D448950
C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@H]2O)O D448955
C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@H]2O)O D448960
C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@@H]2O)OS(=O)(=O)[O-].[Na+] D448965
C[C@]12CCc3c4ccc(cc4ccc3[C@@H]1CC[C@H]2O)OS(=O)(=O)[O-].[Na+] D448966
C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@@H]2O)OS(=O)(=O)[O-].[Na+] D448970
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(CCC(=O)N4)C D448975
CC1(c2c3ccccc3ccc2N(C1/C=C/CC/C=C/C=C/4\C(c5c6ccccc6ccc5N4CCCCS(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C.[Na+].[Na+] D448980
c1cc(oc1)CS(=O)CC(=O)NCCCCOc2cc(ccn2)CN3CCCCC3 D448985
CN(C)CCCC1(c2ccccc2CSc3c1cccc3)O D448990
COc1cc(ccc1O)CCC(=O)OC D448995
c1cc(ccc1C2COc3cc(ccc3C2=O)O)O D449000
CC1CC(c2cc(sc2S1(=O)=O)S(=O)(=O)N)O D449005
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C D449010
COc1cc2c(cc1OC)nc(c(=O)[nH]2)CCC(=O)O D449015
CCC(=O)NCC[C@@H]1CCc2c1c(c(cc2)O)CCO D449020
COc1ccc2c(c1)CCC(=C2c3ccc(cc3)OCc4ccccc4)c5ccccc5 D449025
c1cc(ccc1C#N)Nc2nc(cc(n2)O)O D449030
c1cc(ccc1C#N)Nc2n[13c]([13cH][13c](n2)O)O D449032
c1cc2c(cc1F)CC[C@@H](O2)[C@H](CO)O D449035
c1cc2c(cc1F)CC[C@H](O2)[C@H](CO)O D449036
c1cc2c(cc1F)CC[C@H](O2)[C@@H](CO)O D449038
c1cc2c(cc1F)CC[C@@H](O2)[C@@H](CO)O D449039
c1ccc2c(c1)[C@@H](C(c3ccccc3N2C(=O)N)O)O D449040
CNCCCC1c2ccccc2C(C(c3c1cccc3)O)O D449045
CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)O D449050
[2H]C([2H])([2H])C(C(=O)OC(C)C)(C([2H])([2H])[2H])Oc1ccc(cc1)C(c2ccc(cc2)Cl)O D449052
CC(C)[C@@H]1C(=N[C@H](C(=N1)OC)C[C@H](Cc2ccc(c(c2)OCCCOC)OC)C(C)C)OC D449055
CC(C)[C@@H]1C(=N[C@@H](C(=N1)OC)C[C@H](Cc2ccc(c(c2)OCCCOC)OC)C(C)C)OC D449056
c1cc(ccc1n2cn[nH]c2=O)N3CCN(CC3)c4ccc(cc4)O D449060
Cn1c2cc(c(cc2nc(c1=O)CCC(=O)O)OC)OC D449065
[2H]C([2H])(c1ccc(cc1)N)C([2H])([2H])N2CCc3cc(c(cc3C2)OC)OC D449072
Cn1c2cc(c(cc2nc(c1=O)CCC(=O)OC)OC)OC D449075
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@@H]5CC6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C.CS(=O)(=O)O D449080
[2H][13C]([2H])([2H])N1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7CCC[C@H]7[C@@]6(O5)O)Cc8ccccc8)C.CS(=O)(=O)O D449082
CCOC(=O)c1ccc(cc1)C#Cc2ccc3c(c2)C(=CCC3(C)C)OS(=O)(=O)C(F)(F)F D449085
CC.Cc1ccc2c(c1)CC3C=CC=CC3C2 D449090
COc1cc2c(cc1OC)C(C(C2)CC3CCN(CC3)Cc4ccccc4)O D449095
CCN(CC)C(=O)[C@]1(CC1CN2C(=O)c3ccccc3C2=O)c4ccccc4 D449100
[2H]C([2H])([2H])C([2H])([2H])N(C(=O)[C@]1(C[C@@H]1CN2C(=O)c3ccccc3C2=O)c4ccccc4)C([2H])([2H])C([2H])([2H])[2H] D449102
CN(CCO)C(=O)C1c2ccccc2Cc3cccnc3N1 D449105
CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OCCC#N)C)C D449110
CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)O)C)C D449115
[2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)O)C)C D449117
CC1=C(C(C(=C(N1)C)C(=O)OCCC#N)c2cccc(c2)[N+](=O)[O-])C(=O)OC D449118
CC1=C([C@H](C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O D449120
CC1=C([C@@H](C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O D449121
CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O D449123
c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O D449125
CCOC(=O)c1cc2c([nH]1)-c3c(cc(nc3C(C2=O)(OC)OC)C(=O)OC)C(=O)OC D449128
C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@@H]2O)O D449130
[2H][C@]1([C@]2(CC[C@@H]3c4ccc(cc4CC=C3[C@@H]2CC1([2H])[2H])O)C)O D449132
c1ccc2c(c1)CC(c3ccccc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O.[Na+] D449133
c1ccc2c(c1)CC(c3ccccc3N2C(=O)N)O D449135
[2H]c1c(c(c2c(c1[2H])CC(c3ccccc3N2C(=O)N)O)[2H])[2H] D449137
[2H]C1(c2ccccc2N(c3ccccc3C1([2H])O)C(=O)N)[2H] D449138
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)O D449140
CCOC(=O)C1=C(c2c(cccn2)NC(=O)C1)O D449143
c1cc2c(cc1O)NC(=O)CC2 D449145
c1ccc2c(c1)c(c[nH]2)/C=C\3/c4cc(ccc4NC3=O)S(=O)(=O)N D449148
CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)CO D449150
COC1=NCCN1 D449155
[2H]C1(C(N=C(N1)OC)([2H])[2H])[2H] D449157
c1ccc2c(c1)CC[C@H]2Nc3c4c(ncn3)n(cn4)[C@H]5C([C@H]([C@H](O5)CO)O)O D449160
Cc1ccc(cc1)S(=O)(=O)O/N=C/2\CCCc3c2cc(cc3)OC D449165
CC1(C(C(=NO1)c2ccccc2)c3ccccc3)O D449170
[13CH3][13C]1(C(C(=[15N]O1)c2ccccc2)c3ccccc3)O D449172
[2H]C([2H])([2H])N1CCC=C1c2cccnc2 D449174
CN1CCC=C1c2cccnc2 D449175
CC(c1cccc(c1)C(c2ccccc2)O)C(=O)O D449176
[2H][13C]([2H])([2H])C(c1cccc(c1)C(c2ccccc2)O)C(=O)O D449177
CC(c1cccc(c1)C(c2ccccc2)O)C(=O)O[C@H]3[C@H](C([C@@H](C(O3)C(=O)O)O)O)O D449180
Cc1cc2c(s1)Nc3ccccc3NC2=O D449185
Cc1cc2c(s1)Nc3ccccc3NC2=S D449188
c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 D449190
c1cc2c3c(c1)[nH]c(=O)n3CCCC2=O D449195
COc1cccc2c1[nH]c3c(c2=O)cccc3C(=O)O D449200
CNS(=O)(=O)CCc1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)C D449205
CCCCCCCCCC(=O)OC1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(=O)C4)C D449210
CC(C)(c1ccccc1CC[C@H](c2cccc(c2)CCc3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)[O-])O.[Na+] D449215
CS(=O)(=O)c1ccc(cc1)[C@@H]2[C@H](N=C(O2)c3ccccc3)CO D449220
[2H][C@]1([C@H](OC(=N1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C)C([2H])([2H])O D449222
CCOC(=O)[C@H]1[C@H](OC(=N1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C D449225
c1cc2c(cc1S(=O)(=O)N)CC(=O)N2 D449230
CC(C)(c1[nH]c(=O)c(c(n1)C(=O)OC)O)NC(=O)OCc2ccccc2 D449235
CC(C)(c1nc(c(c(=O)n1C)O)C(=O)OC)NC(=O)OCc2ccccc2 D449240
[2H]C([2H])([2H])n1c(=O)c(c(nc1C(C)(C)NC(=O)OCc2ccccc2)C(=O)OC)O D449242
[2H]c1c(c(c(c(c1[2H])[2H])N2c3ccccc3CC2=O)[2H])[2H] D449247
c1ccc(cc1)CO[C@H]2CCC(CC2)[n@@]3nnnc3CCCCOc4cc5c(cc4)NC(=O)CC5 D449250
C=CCOC1=CCCN(C1)C(=O)OCc2ccccc2 D449255
CN1c2ccccc2C(c3ccccc3S1(=O)=O)O D449260
CN1CC2=C(C1=O)c3ccccc3Oc4c2cc(cc4)Cl D449270
CC[C@@]1(C[C@H](C2([C@@H](CCC3([C@H]2C(=O)CC3)[C@H]([C@@H]1O)C)C)C)OC(=O)CO)C D449275
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C D449280
c1ccc(cc1)COC(=O)N2CCCC=C2 D449285
CCOC(=O)C1c2ccccc2Cc3cccnc3N1 D449290
CN1c2ccccc2-c3ccccc3C(C1=O)NC(=O)[C@@H](c4ccccc4)O D449295
c1cc(cnc1)C(=O)C2CCOC2=O D449300
CCC(=O)NC/C=C/1\CCc2c1cc(cc2)OC D449305
CCC(=O)NCCC1CCc2c1cc(cc2)OC D449310
CCC(=O)NCC[C@@H]1CCc2c1cc(cc2)OC D449315
COC(=O)Nc1[nH]c2ccc(cc2n1)C(c3ccccc3)O D449320
COc1ccc2c(c1)/C(=C/CN)/CC2 D449325
COCCCN1C[C@H](c2ccsc2S1(=O)=O)O D449330
CN1c2ccccc2-c3ccccc3CC1=O D449335
CCCCCCCCc1ccc(cc1)CCC2(COC(=N2)C)CO D449340
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(C)CCO)/C D449350
CC(=O)OC(C1(C=CC(O1)[N+](=O)[O-])OC(=O)C)OC(=O)C D449355
[2H]C1=C(C(OC1([2H])[N+](=O)[O-])(C(OC(=O)C)OC(=O)C)OC(=O)C)[2H] D449357
CNC\1=NCCS/C1=N\OCc2ccc(o2)CN(C)C D449360
CC1=N[C@@H]2[C@H](O1)C=C(O[C@H]2[C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC D449365
COc1ccc2c(c1)/C(=C/C#N)/CC2 D449370
COc1ccc2c(c1)/C(=C\C#N)/CC2 D449371
c1cc2c(c(c1)O)CC=CC2 D449375
CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(=O)C4)C)O D449380
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(=O)C4)C)O D449382
CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@H]3CCC(=O)C4)C)O D449385
C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)CC(C)CC(=O)OCCCCCCCCC(=O)O)[C@H](C)O D449390
Cc1c(c2c(c(c1O)C)C(C(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C D449395
CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O D449400
c1ccc2c(c1)cccc2C3CCC(=O)O3 D449405
CO[C@@H]1C2=CC(=O)O[C@H]2[C@H](CO1)O D449410
c1ccc2c(c1)c3c([nH]2)cc4c5cc(ccc5[nH]c4c3C=O)O D449415
c1ccc2c(c1)c3cc4c(c5cc(ccc5[nH]4)O)c(c3[nH]2)C=O D449420
c1ccc(cc1)c2c3ccccc3nc4c2C(=O)CCC4 D449425
c1cc2c([nH]c(=O)o2)nc1 D449430
CNC\1=NCCS/C1=N/O.Cl D449435
[2H]C([2H])([2H])NC\1=NCCS/C1=N/O.Cl D449437
CC1CNC(=O)NC1=O D449440
CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)Cl)n(n1)C D449445
c1ccc2c(c1)c(=O)nc([nH]2)CCC(=O)O D449450
c1ccc2c(c1)[nH]c(=O)n2CCCn3c4cc(ccc4n(c3=O)C5CCN(CC5)CCCn6c7ccccc7[nH]c6=O)Cl D449455
CC1(c2ccccc2[N+](=C1/C=C/C=C/C=C/3\C(c4ccccc4N3CCCO)(C)C)CCCO)C.[Cl-] D449460
c1ccc2c(c1)[nH]c(=O)n2CCCn3c4ccccc4n(c3=O)CCCN5CCC(CC5)n6c7ccc(cc7[nH]c6=O)Cl D449465
C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@H]2O)O D449470
COc1ccc2c3c1cccc3C(CC2)c4ccccc4C(=O)O D449475
C[C@]12CC[C@@H]3c4ccc(cc4CC=C3[C@@H]1CC[C@H]2O)OS(=O)(=O)[O-].[Na+] D449480
COc1ccc(c2c1CC=CC2)OC D449485
CC1CSC(C1=O)C D449490
CCN(CC)C(=O)N[C@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C D449495
CCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O D449500
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@]4([C@@H]3CCC(=O)C4)OC D449505
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@H]3CCC(=O)C4 D449510
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)CC[C@]34C D449515
COc1cccc(c1)CC2CC(=O)OC2 D449520
CC(C)CC(=O)OC1C(c2c(ccc3c2oc(=O)cc3)OC1(C)C)OC(=O)C D449525
COc1cc(ccc1OCc2ccccc2)CC3CC(=O)OC3 D449530
C[C@H]1C([C@@H]([C@@H](O1)O[C@H]2[C@H](C(C([C@@H](C2O)O)NC(=N)N)O)NC(=N)N)OC3[C@H](C([C@@H]([C@@H](O3)CO)O)O)NC)(CO)O D449535
c1cc2c(cc1OCCCCO)NC(=O)CC2 D449540
c1ccc(cc1)NCCNC(=O)CCN2C(=O)C=CC2=O D449545
C[C@H]\1CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O D449550
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3(c4c(cccc4NC3=O)C2=C1)O)C D449560
COc1cc2c(c3c1cccc3)CCC2=O D449565
c1ccc2c(c1)C(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO D449570
[2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CCCC2c3ccccc3Sc4c2cc(cc4)C(F)(F)F D449572
C[C@@]1(C(=O)N2[C@H](C(=O)N[C@H]([C@@]2(O1)O)CCC(=O)O)Cc3ccccc3)NC(=O)[C@@H]4CC5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C D449580
COc1ccc2c3c1cccc3C(=O)CC2 D449585
COc1ccc2c3c1cccc3C4(CC2)c5ccccc5C(=O)O4 D449590
Cc1cn(c(c(c1=O)C)C(=O)O)c2[nH]c3cc(ccc3n2)OC D449595
CCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C D449600
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)OC(=O)CCCCCCCCCC D449602
C1CN=C2C=CC=CN2C1.Br D449630
CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@H]1O)OC)OC D449650
[2H]C([2H])([2H])C(C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@H]1O)OC)OC)C([2H])([2H])[2H] D449652
CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1O)OC)OC D449655
[2H]C([2H])([2H])C(C[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1O)OC)OC)C([2H])([2H])[2H] D449657
C1CCOC(C1)O[C@H]2CCOC2=O D449800
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)CCN3C(=O)OC(C)(C)C D449810
CN1CC[C@]23CC(=O)CC[C@H]2[C@H]1Cc4c3c(c(cc4)OC)O D449820
CC(=O)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C)OC D449840
CC(=O)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3Cc6c5c(c(cc6)OC)O4)C(=O)OC)OC D449850
C[C@H]1C=Cc2cc(ccc2[C@H]1CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+] D449860
c1csc2c1C=NCC2 D449880
c1ccc2c(c1)CC[C@@H]2Nc3c4cc[nH]c4ncn3 D449885
COc1ccc(cc1)C2OC[C@H]3C[C@@H]([C@H]([C@H]3O2)O)n4ccc5c4ncnc5N[C@H]6CCc7c6cccc7 D449890
CC1=CC(N=C2C1=CC(=O)C=C2)(C)C D449900
CCCc1ccc2c(c1)OCO2 D449920
c1ccc(cc1)[C@@H]2N3[C@H](CO2)C=CC3=O D449950
C1CNC(=O)NC1=O D449990
CCC1C[C@H]2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O D450020
CC(=O)c1ccc(cc1O)O D450085
CC(=O)c1cccc(c1O)O D450090
CC(=O)c1c(cccc1O)O D450095
CC(=O)c1cc(cc(c1)O)O D450100
CC(Cc1ccc(c(c1)O)O)N.Cl D450110
CCOC(Cc1c(nc(nc1O)O)N)OCC D450125
CC(C)c1ccc(c(c1)C(C)C)O D455290
CC(C)OP(=O)(OC(C)C)F D455300
CC(C)CC(CC(C)C)O D455450
[13CH3]C([13CH3])CC(CC([13CH3])[13CH3])O D455452
CC(C)CC(=O)CC(C)C D455475
[13CH3]C([13CH3])CC(=O)CC([13CH3])[13CH3] D455477
CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)O)C D455750
CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CN=[N+]=[N-])C D455825
CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)C[N+](=O)[O-])C D456000
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@H]3[C@@H]([C@@H]4[C@H](O2)OC(O4)(C)C)OC(O3)(C)C D456285
CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CO)C D456400
[2H]C([2H])([2H])C1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C([2H])([2H])[2H])C([2H])([2H])[2H])CO)C([2H])([2H])[2H] D456402
CC1(O[C@@H]2[C@H](O1)C3[C@H](OC2CO)OC(O3)(C)C)C D457500
CC1(OCC(O1)[C@@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)O)C D458000
CC1(OCC(O1)[C@@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OC(=S)SC)C D458020
CC1(OCC(O1)[C@H]2C([C@H]3[C@H](O2)OC(O3)(C)C)O)C D458040
CC1(OC[C@H](O1)[C@@H]2C3[C@H](C(=O)O2)OC(O3)(C)C)C D458500
CCCCCCCCCCCC/C=C\[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)O D458600
CC1(O[C@H]2[C@H](C3[C@H](C(C2O1)O)OC(O3)(C)C)O)C D458775
CC1(OC[C@@H](O1)[C@H]([C@H]2[C@H](OC(O2)(C)C)CO)O)C D458950
CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C D458955
CC1(OCC(O1)[C@@H]2C3[C@H]([C@H](O2)O)OC(O3)(C)C)C D459000
CC1(OC[C@@H]2[C@@H](C3[C@@H](C(O2)O1)OC(O3)(C)C)O)C D459050
CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)O D459100
CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)OS(=O)(=O)C D459120
CC1(OCC(O1)[C@@H]2C(=O)[C@H]3[C@H](O2)OC(O3)(C)C)C D459250
CC1(OC[C@H]2C(O1)[C@H]([C@]3(O2)COC(O3)(C)C)O)C D459275
CC1(OC[C@H]2C(O1)[C@@H]3[C@@](O2)(OC(O3)(C)C)CO)C D459285
c1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O D450150
[2H]c1c(c2c(c(c1[2H])O)C(=O)c3c(c(c(c(c3O)[2H])[2H])[2H])C2=O)[2H] D450152
c1cc(c2c3c1C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](CC5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O D450355
c1cc(c2c3c1C[C@@H]4[C@H]5[C@]3(CCN4)[C@@H](O2)[C@H](CC5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O D450360
c1cc(c(cc1O)O)C=O D450995
c1cc(c(cc1C=O)O)O D451000
c1cc(c(cc1O)C=O)O D451005
c1cc(c(c(c1)O)O)C=O D451010
c1ccc2cc3c(cc2c1)C(=O)C(C3=O)(O)O.O D451125
c1cc(c(c(c1)O)O)C(=O)O D451650
[2H]c1c(c(c(c(c1O)[2H])C(=O)O)O)[2H] D451657
c1cc(c(cc1C(=O)O)O)O D451680
c1cc(c(cc1C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O D451685
c1cc(c(cc1C(=O)[O-])OS(=O)(=O)[O-])O.[Na+].[Na+] D451690
COC(=O)c1ccc(c(c1)O)O D451695
c1c(cc(cc1O)O)C(=O)O D451700
c1c(cc(cc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)O D451705
c1c(cc(cc1O)OS(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+] D451710
COC(=O)c1cc(cc(c1)O)O D451715
COC(=O)c1cc(cc(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)O D451725
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(cc(c2)O)C(=O)OC)C(=O)OC)OC(=O)C D451730
c1ccc(c(c1)C(=O)c2ccc(cc2O)O)C(=O)O D451750
[2H]c1c(c(c(c(c1[2H])C(=O)c2ccc(cc2O)O)C(=O)O)[2H])[2H] D451752
COC(=O)c1ccc(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)O D451770
c1c(cc(cc1O)O)CO D451900
c1cc(c(cc1NCc2cc(ccc2O)O)C(=O)O)O D452000
CC(C)n1cnc2c1nc(nc2N(Cc3ccccc3O)Cc4ccccc4O)NCCCO D452150
c1ccc(c(c1)/C=N/NC(=O)c2ccc(c(c2)O)O)O D452180
C/C(=C\COc1c2ccc(=O)oc2cc3c1cco3)/CCC(C(C)(C)O)O D452230
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)C(C4(CCCC4)C(C3=O)O)O D452260
[2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)C(C2(CCCC2)C(C1=O)O)O)C([2H])([2H])N3CCN(CC3)c4ncccn4 D452262
c1ccc2c(c1)ncc(n2)CCC(CO)O D452300
c1ccc2c(c1)C(=C(c3ccccc3N2C(=O)N)O)O D452315
c1cc(ccc1C#N)Nc2nc(c(c(n2)Oc3c(cc(cc3CO)C#N)CO)Br)N D452330
CC(=O)c1cc(c(cc1O)O)OC D452340
c1cc(ccc1CO)CO D452345
[2H]c1c(c(c(c(c1CO)[2H])[2H])CO)[2H] D452347
Cc1cc([nH]c(=O)c1O)O.Cl D452355
CCCC(=O)c1ccc(c(c1)O)O D452360
COc1cc(c(cc1O)O)C(=O)C(c2ccc(cc2)O)C(OC)OC D452380
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C D452410
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)O)C D452450
CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O D452465
CC(C)CC[C@@H]([C@@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O D452470
c1cc(c(cc1/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)O)O)O D452480
c1cc(c(cc1C[C@@H](C(=O)O)NC(=O)/C=C/c2ccc(c(c2)O)O)O)O D452500
c1cc(ccc1CC(C(=O)O)NC(=O)/C=C/c2ccc(c(c2)O)O)O D452520
c1c(c2cc(c(cc2oc1=O)O)O)CC(=O)O D452685
CCC(C)(C)C(=O)O[C@H]1C[C@H](C(C2=CC([C@@H]([C@@H]([C@@H]12)CCC3C[C@H](CC(=O)O3)O)C)O)O)C D452690
[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@H](C(C2=CC([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O)O)C)C([2H])([2H])[2H] D452692
CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H](C2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O)O)C.[Na+] D452695
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccc(cc3)O D452700
[2H]C([2H])([2H])NCCOc1ccc(cc1)/C(=C(/CC)\c2ccc(cc2)O)/c3ccc(cc3)O D452702
COc1ccc(c(c1O)c2c(ccc(c2O)OC)C(=O)OC)C(=O)OC D452705
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccc(cc3)O D452710
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C4(C[C@H]5[C@@]3(CC[C@H](C5)O)C)NN4)O)C D452720
c1ccc2c(c1)C=C[C@@H]([C@H]2O)O D452735
CC(C)C(=O)C(C(=O)Nc1ccccc1)(C(c2ccccc2)(C(=O)c3ccc(cc3)F)O)O D452740
CCOC(=O)c1c(c(c(nc1O)C)C)O D452745
c1ccc2c(c1)-c3ccccc3[C@@H]([C@@H]2O)O D452750
c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)O D452755
CC(c1ccc(c(c1)F)c2ccc(c(c2)O)O)C(=O)O D452760
CC(c1ccc(c(c1)F)c2ccc(c(c2)OC)OC)C(=O)O D452770
c1c(cc(c2c1C(OC(=O)N2)(C#CC3(CC3)O)C(F)(F)F)O)Cl D452800
[2H]C1(C(C1(C#CC2(c3cc(cc(c3NC(=O)O2)O)Cl)C(F)(F)F)O)([2H])[2H])[2H] D452802
c1ccc2c(c1)ccc3c2[C@@H]4[C@@H](O4)[C@H]([C@@H]3O)O D452810
C[C@]12CC[C@@H]3c4ccc(cc4C(C[C@H]3[C@@H]1C(C[C@@H]2O)O)O)O D452815
c1cn2c(cc(nc2n1)O)O D452820
c1c2cc([nH]c2cc(c1O)O)C(=O)O D452825
C1[C@H]([C@@H]([C@H](C1=O)CCC(=O)O)CCC(C(CCCC(=O)O)(F)F)O)O D452835
C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC(C(C)(C)O)O)\C(=O)O)OC(=O)C)C)O)C D452840
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)O.[Na+] D452850
C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)O)O)O)O)O D452870
C1C(C=CS1(=O)=O)N.Br D452885
C(C[C@@H](C(=O)O)N)[C@@H](CNC[C@H](CC[C@@H](C(=O)O)N)O)O D452900
C(C[C@@H](C(=O)O)N)[C@H](CNC[C@@H](CC[C@@H](C(=O)O)N)O)O D452905
C(C[C@@H](C(=O)O)N)[C@H](CNC[C@H](CC[C@@H](C(=O)O)N)O)O D452910
c1cc(c(cc1C(C(=O)O)O)O)O D453000
[2H]c1c(c(c(c(c1C(C(=O)O)O)[2H])O)O)[2H] D453002
CC(Cc1ccc(c(c1)O)O)NC.Cl D453070
[2H]C([2H])([2H])NC(C)Cc1ccc(c(c1)O)O.Cl D453072
C[C@](CO)(C(=O)N(C)OC)O D453130
CC(Cc1ccc(c(c1)OC)O)(O)S(=O)(=O)[O-].[K+] D453155
[2H]C([2H])([2H])C(C([2H])([2H])c1ccc(c(c1)OC)O)(O)S(=O)(=O)[O-].[K+] D453157
COc1ccccc1Oc2c(nc(nc2O)c3ncccn3)O D453180
C[C@]12CC[C@@H](C[C@]1(C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5C4=O)C)O)O D453200
Cc1c(ncc(c1OC)CO)CO D453220
Cc1c(c(=O)[nH]c(=O)[nH]1)[N+](=O)[O-] D453250
[2H]C([2H])([2H])[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C4(OCCO4)C)O)C)[C@@]5([C@]1(CC6(CC5)OCCO6)O)C D453272
C[C@](CO)(C(=O)OC)O D453280
Cc1c(ncnc1O)O D453325
CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)(C)O)c2ccccc2N3CCCC(C3)O D453335
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CC[C@@H]4[C@@]3(C=CC(=O)C4)C D453350
Cc1cc2n(c(=O)c1C#N)CCC23OCCO3 D453360
CN1c2ccccc2C(=O)Nc3c1cccc3 D453370
Cc1ncc2n1-c3ccc(cc3C(NC2)c4ccccc4F)Cl D453380
[2H]c1c2n(c(n1)C([2H])([2H])[2H])-c3ccc(cc3C(NC2([2H])[2H])c4ccccc4F)Cl D453382
CCOC(=O)CC(C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C D453385
CC(C)CC(=O)CC(C)C=C D453390
c1ccnc(c1)C2=NNCC2 D453395
c1ccc(c(c1)C2=NC(c3cnc(n3-c4c2cc(cc4)Cl)CO)O)F D453400
[2H]c1c2n(c(n1)C([2H])([2H])O)-c3ccc(cc3C(=NC2([2H])O)c4ccccc4F)Cl D453402
CN1CCN(CC1)C2=Nc3ccccc3NC(=O)C2 D453430
Cc1nc(c(c(n1)O)NC2=NCCN2)O D453460
c1cc(nc2c1ccc(n2)O)O D453540
c1c(cc(c(c1[N+](=O)[O-])O)O)C=O D453650
c1nc(c(c(n1)O)[N+](=O)[O-])O D453750
C[C@H](CC#N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C D453770
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3CC[C@@H](C4)O D453800
C[C@H](CCC(c1ccccc1)(c2ccccc2)O)[C@H]3CC[C@@H]4[C@@]3([C@H](C[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@H](C6)O)C)O)C D453890
C[C@@H]([C@@H](c1ccc(c(c1)O)O)O)N D454000
CNCCC=C1c2ccccc2[C@H]([C@H](c3c1cccc3)O)O D454100
C(CCCC/C=C\C=C\[C@H](CCCC(=O)O)O)CCCCO D454140
CN1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6 D454155
C(CCCC(C(=O)O)O)CC/C=C\CCCCCCC(C(=O)O)O D454175
C1CC[C@H]([C@@H](C1)[NH-])[NH-].C(=O)(C(=O)[O-])[O-].[OH-].[OH-].[Pt+6] D454185
CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccc(cc4)O)NC(=O)c5ccccc5)O)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C D454200
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)O)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H]([C@@H]([C@@H]6[C@]5(CO6)OC(=O)C)O)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] D454202
c1cc(c(cc1CC(=O)O)O)O D454250
COC(=O)Cc1ccc(c(c1)O)O D454260
CC(=O)Cc1ccc(c(c1)O)O D454300
c1c(cc(cc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCC(=O)O D454370
c1c(cc(cc1[O-])OS(=O)(=O)[O-])CCC(=O)[O-].[Na+].[Na+].[Na+] D454375
c1cc(c(cc1CC(=O)c2ccc(cc2O)O)O)O D454460
CC(C)(C)NCC(=O)c1cc(cc(c1)O)O.Cl D454480
[2H]c1c(c(c(c(c1C(C([2H])([2H])O)O)[2H])O)O)[2H] D454512
c1ccc(cc1)COC(=O)N2CCCC(C2O)O D454530
[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C([C@H]1O)([2H])[2H])CC[C@@H]4C(=O)CO)C)C)[2H] D454537
C[C@]12CCC3(C=C1CC[C@@H]4[C@@H]2C(=O)C[C@]5([C@H]4CC[C@@]5(C6(OCCO6)CO)O)C)OCCO3 D454540
CCCCCCCCCCCCCCCCCC(=O)NCC(CO)O D454545
c1c2c([nH]n1)nc(nc2O)O D454550
[13cH]1c2c([15nH][15n]1)nc(nc2O)O D454552
c1cnc(cc1O)O D454590
c1c(=O)[nH]cnc1O D454605
c1c(c(nc(n1)O)O)C(=O)O D454625
c1c[nH]c2c1c(=O)[nH]c(=O)[nH]2 D454675
c1c[nH]c2c1[nH]c(=O)[nH]c2=O D454680
CCCCCCCCC(C(CCCCCCCC(=O)O)O)O D454750
C=Cc1cccc(c1O)O D454800
C=Cc1ccc(c(c1)O)O D454805
c1cc2c(ccc3c2[nH]c(=O)c(=O)[nH]3)c(c1)S(=O)(=O)N D454875
C1[C@H]([C@H]([C@@H]2N1C[C@H]([C@H]([C@H]2O)O)O)O)O D455000
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(O4)O)CC[C@]5([C@@]3(CCC(C5)O)C)O D455005
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\[C@@H]([C@H](CCC3=C)O)O)C D455010
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\[C@H]([C@H](CCC3=C)O)O)C D455015
c1c2c(cc(c1O)O)CNCCC2.Br D455025
Cc1ccsc1C(c2c(ccs2)C)(C(CCN3CCC[C@@H](C3)C(=O)O)O)O D455030
c1ccc(c(c1)C2=NC(c3nnc(n3-c4c2cc(cc4)Cl)CO)O)Cl D455035
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2[nH]c(=O)[nH]c3=O)OC(=O)C)OC(=O)C D455040
C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455045
C[C@H](CC(CC(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D455050
CC1=C(C(=O)c2ccccc2C1=O)CCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C D455055
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455065
[2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O D455067
c1ccc2c(c1)c(c[nH]2)SSc3c[nH]c4c3cccc4 D455070
C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D455075
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(CO)O D455077
c1c(cc(c(c1I)O)I)C=O D455080
[13cH]1[13c]([13cH][13c]([13c]([13c]1I)O)I)C=O D455082
C[C@H](/C=C/C(C)(C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C D455085
[2H]C([2H])([2H])C(/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C(C)(C)O)O D455087
C[C@H](/C=C/[C@H](C)C(C)CO)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455090
c1c(cc(c(c1I)O)I)CC(=O)C(=O)O D455095
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)C D455100
C[C@H](/C=C/C(C)(C(C)C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C D455105
[2H]C([2H])([2H])C(/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C(C)C)O D455107
C(CI)OCCI D455110
c1c(cc(c(c1I)O)I)C(=O)N D455115
c1c(cc(c(c1I)O)I)C(=O)O D455120
c1cc(ccc1O)Oc2c(cc(cc2I)C=O)I D455130
c1cc(c(cc1C[C@@H](C(=O)O)N)I)Oc2ccc(c(c2)I)O D455150
c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](C(=O)O)N)I D455155
c1c(cc(c(c1I)O)I)C#N D455160
CC(Cc1cc(c(c(c1)I)O)I)(C(=O)O)N D455165
CC(=O)N/C(=C\c1ccccc1)/C(=O)O D455180
CCC/C=C/N(CC(C)C)CC(C)C D455205
CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C D455215
[2H]c1c(c(c(c(c1[2H])C(=O)OCCCCCCCC(C)C)C(=O)OCCCCCCCC(C)C)[2H])[2H] D455217
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C D455225
[2H]c1c(c(c(c(c1[2H])C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C)[2H])[2H] D455227
CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C D455230
[2H]c1c(c(c(c(c1[2H])C(=O)OCCC(C)C)C(=O)OCCC(C)C)[2H])[2H] D455232
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].[Cl] D455237
CC(C)C1=CC(=O)C=C(C1=O)C(C)C D455245
CC(C)c1c(c(c(c(n1)C(C)C)COC)c2ccc(cc2)F)CO D455250
CC(C)c1c(c(c(c(n1)C(C)C)C=O)c2ccc(cc2)F)COC D455265
CC(C)c1cccc(c1C(=O)O)C(C)C D455280
Cc1ccc(cc1)S(=O)(=O)OC2[C@H]3[C@H](O[C@H]2C4COC(O4)(C)C)OC(O3)(C)C D459328
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2O)C(=O)OC)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D459332
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(C(=O)CC(c1ccccc1)c2cc(ccc2OC)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D459336
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2OC)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] D459337
CC(C)N(C(C)C)P(OC)Cl D459345
CCC(CC)N(C(C)C)C(C)C D459350
[2H]C([2H])([2H])C([2H])([2H])C(C([2H])([2H])C([2H])([2H])[2H])N(C(C)C)C(C)C D459352
CC(C)c1cccc(c1NC(=O)CN(CC(=O)O)CC(=O)O)C(C)C D459360
CCCCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O E555385
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)OCCc3ccccc3 E555390
CC(C)(C)[C@@H]([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc3ccc(cc3)OC)NC(=O)CC(C)(C)N)O)O E555450
*C(C)CCCC/C=C/C=C\C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)c2ccc(cc2)O)CCCN)[C@@H](C)O)c3ccc(cc3)O)c4ccc(cc4)O)[C@H](C)O)CCCNC(=O)N)C[C@@H]5CNC(=N5)N)c6ccc(cc6)O)CO)c7cc(c(c(c7)Cl)O)Cl)C[C@@H]8CNC(=N8)N)C)c9ccc(cc9)O)C E555550
CC(C)CC(=O)N1CCN(CC1)C(=O)CCCCCN.Br E555800
[2H]C1(C(N(C(C(N1C(=O)CCCCCN)([2H])[2H])([2H])[2H])C(=O)CC(C)C)([2H])[2H])[2H].Br E555802
CCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn(c(=O)n1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O E557500
CCn1cc(c(=O)c2c1nc(c(c2)F)N3CCNCC3)C(=O)O E557600
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2c(cc3c(=O)c(cn(c3n2)CC)C(=O)O)F)([2H])[2H])[2H] E557602
CCN1CCN(CC1)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O E557800
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)c2cc3c(cc2F)c(=O)c(cn3C4CC4)C(=O)O E557802
CCN(CC)C(=O)/C(=C\c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N E558490
CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N E558500
[2H]C([2H])([2H])C([2H])([2H])N(C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#N)C([2H])([2H])C([2H])([2H])[2H] E558502
CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)[N+](=O)[O-])/C#N E558510
C#Cc1c[nH]c(=O)[nH]c1=O E558650
CC(C)OP(=O)OC(C)C D459370
CC(C)n1cc[n+](c1)C(C)C.[OH-] D459385
CC(C)OP(=O)(OC(C)C)Cl D459400
CC(C)OS(=O)OC(C)C D459600
CC(C)N(CCc1c[nH]c2c1cccc2)C(C)C.C(=O)(C(=O)O)O D459750
[2H]C([2H])(c1c[nH]c2c1cccc2)C([2H])([2H])N(C(C)C)C(C)C.C(=O)(C(=O)O)O D459752
CC(C)NC(=O)NC(C)C D459850
CC(C)(C)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 E320000
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)C)[2H])[2H] E320002
CCOC(=O)C1=C(C(=O)N(C1)Cc2ccccc2)O E320500
CN1[C@H]2CC[C@@H]1C(=CC2)C(=O)OC E325300
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O.Cl E325550
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)O.Cl E325552
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC.Cl E325560
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC.Cl E325562
CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1O E325570
c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-] E326000
CC1=NN(C(=O)C1)c2ccccc2 E335000
CC[N+](C)(C)c1cccc(c1)O.[Cl-] E336000
[2H]C([2H])([2H])C([2H])([2H])[N+](C)(C)c1cccc(c1)O.[Cl-] E336002
Cc1cc(cc(c1)NC(=O)Cc2ccc(cc2)OC(C)(C)C(=O)O)C E415000
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)CC(=O)Nc2cc(cc(c2)C)C E415002
c1cc2c(cc1Cl)[C@](OC(=O)N2)(C#CC3CC3)C(F)(F)F E425000
[2H]C1(C(C1([2H])C#C[C@@]2(c3cc(ccc3NC(=O)O2)Cl)C(F)(F)F)([2H])[2H])[2H] E425003
c1cc2c(cc1Cl)[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F E425005
Cc1c(ccc-2c1CCc3c2c(cc(c3)O)C=C)O E435000
C(CC(C(F)F)(C(=O)O)N)CN.O.Cl E436000
CCCCCCCC/C=C\CCCC/C=C\CCCC(=O)O E476800
[2H]/C(=C(\[2H])/CCCC/C(=C(/[2H])\CCCC(=O)O)/[2H])/CCCCCCCC E476802
CCCCCCCCCCCCC/C=C/[C@H](C(COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)O E477000
CCCCCCCCCCCCCCCCCCCC E477490
CCCCCCCCCCCCCCCCCCC(CO)O E477500
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O E477800
[2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O E477802
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC E477805
[2H]C([2H])([2H])C([2H])([2H])/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC E477807
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O E477880
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C E477890
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O E477930
[2H]/C(=C(\[2H])/C/C(=C(/[2H])\C/C(=C(/[2H])\CCCCCCC(=O)O)/[2H])/[2H])/CCCCC E477932
CCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC.[Br-] E478000
COc1cccc2c1[nH]c3c(c2=O)cccc3C(=O)Nc4ccc(cc4)CCN5CCc6cc(c(cc6C5)OC)OC E489000
[2H]C([2H])(c1ccc(cc1)NC(=O)c2cccc3c2[nH]c4c(c3=O)cccc4OC)C([2H])([2H])N5CCc6cc(c(cc6C5)OC)OC E489002
CCCCCCCC/C=C/CCCCCCCC(=O)N E500000
CCCCCCCC/C=C/CCCCCCCC(=O)OP(=O)([O-])OCC[N+](C)(C)C E501000
COc1cc(cc(c1OC)OC)CC=C E501020
CN1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505000
[2H]C([2H])([2H])N1CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505002
CN1CCC[C@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505005
[2H]C([2H])([2H])N1CCC[C@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4 E505007
C[N+]1(CCC[C@@H]1Cc2c[nH]c3c2cc(cc3)CCS(=O)(=O)c4ccccc4)[O-] E505010
c1cc(c(c(c1)Cl)Nc2cscc2CC(=O)O)Cl E507000
[2H]c1c(c(c(s1)[2H])Nc2c(cccc2Cl)Cl)C([2H])([2H])[13C](=O)O E507002
c1cc(c2c(c1)OCCO2)N3CCNCC3.Cl E507500
Cc1ccc(cc1C)N2C(=O)/C(=N\Nc3cccc(c3O)c4cccc(c4)C(=O)O)/C(=N2)C E508000
Cc1ccc(cc1C)N2[13C](=O)/[13C](=N\Nc3cccc(c3O)c4cccc(c4)C(=O)O)/[13C](=N2)[13CH3] E508002
CC(C)[C@@H](CO)n1cc(c(=O)c2c1cc(c(c2)Cc3cccc(c3F)Cl)OC)C(=O)O E509000
[2H][H]c1c2c(c(c(c1C([2H])([2H])c3cccc(c3F)Cl)OC([2H])([2H])[2H])[H][2H])n(c(c(c2=O)C(=O)O)[H][2H])[C@H](CO)C(C)C E509002
c1c(c(nc(=O)n1[C@@H]2C=C[C@@H](O2)CO)N)F E515000
c1c(c([15n][13c](=O)[15n]1[C@@H]2C=C[C@@H](O2)CO)N)F E515002
CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@H]([C@@H]([C@@H](O7)C)NC)OC)OC)\C)C.c1ccc(cc1)C(=O)O E520500
CC(c1ccccc1)(c2ccc(cc2)Br)OCCN(C)C.Cl E521000
[2H]c1c(c(c(c(c1[2H])[2H])C(C)(c2ccc(cc2)Br)OCCN(C)C)[2H])[2H].Cl E521002
CC[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2.[Br-] E521500
[2H]C([2H])([2H])C([2H])([2H])[N+](C)(C)C(C)CC(c1ccccc1)c2ccccc2.[Br-] E521502
CC[C@H]1CN2CCc3cc(c(cc3[C@@H]2C[C@@H]1C[C@@H]4c5cc(c(cc5CCN4)OC)OC)OC)OC E521530
c1c(cc(c2c1C(=O)c3cc(cc(c3C2=O)O)O)O)O E523000
[2H]c1c(c(c(c2c1C(=O)c3c(c(c(c(c3C2=O)O)[2H])O)[2H])O)[2H])C E523002
Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O[C@H]4C([C@H]([C@@H](C(O4)CO)O)O)O)O)C2=O E523010
CCc1c(cc(cn1)C)O E524000
c1c(c(nc(=O)n1[C@@H]2CS[C@H](O2)CO)N)F E524990
c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)CO)N)F E525000
c1c(c([15n][13c](=O)[15n]1[C@@H]2CS[C@@H](O2)CO)N)F E525002
c1c(c(nc(=O)n1[C@H]2CS[C@H](O2)CO)N)F E525005
CSC[C@@H]1O[C@@H](CS1)n2cc(c(nc2=O)N)F E525015
c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N)F E525020
c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N)F E525025
c1c(c(nc(=O)n1[C@@H]2C[S@@](=O)[C@@H](O2)CO)N)F E525030
C.c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)COP(=O)([O-])[O-])N)F E525040
CC[NH+](CC)CC.c1c(c(nc(=O)n1[C@@H]2CS[C@@H](O2)COP(=O)[O-])N)F E525045
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O E555245
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=C\C(=O)O)\C(=O)O E555250
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)[2H])[2H].C(=C\C(=O)O)\C(=O)O E555252
[2H]C([2H])([2H])[C@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)OCC E555253
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)[2H])[2H] E555257
CCOC(=O)[C@H](CCC1CCCCC1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O.C(=O)(C(F)(F)F)O E555265
CCOC(=O)[C@H](CCc1ccccc1)N2[C@H](C(=O)N3CCC[C@H]3C2=O)C E555270
C[C@H]1C(=O)N2CCC[C@H]2C(=O)N1[C@@H](CCc3ccccc3)C(=O)O E555275
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O E555375
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])[2H])[2H].[Na+] E555377
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](CCc2ccccc2)C(=O)OCc3ccccc3 E555380
C#Cc1c[15nH][13c](=O)[15nH]c1=O E558652
C=C1[C@H](CC([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558900
C=C1[C@H](C[C@H]([C@H]1CO)O)n2c[15n]c3[13c]2nc([nH][13c]3=O)N E558902
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C E588532
CC[C@@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+] E588535
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C.[Na+] E588537
C[N@@](C1C(=C(C(=O)[C@@]2([C@H]1C[C@H]3C(=C2O)C(=O)c4c(c(ccc4O)N(C)C)C3)O)C(=O)N)O)C E588540
[2H]C(=C1[C@H](C[C@@H]([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N)[2H] E558903
C=C1[C@@H](C[C@@H]([C@@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558905
C=C1[C@H](C[C@@H]([C@H]1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)n3cnc4c3nc([nH]c4=O)N E558910
C=C1[C@H](C[C@@H]([C@H]1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)n3c[15n]c4[13c]3cc([nH][13c]4=O)N E558912
C=C1[C@@H](CC([C@@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558915
C=C1[C@@H](CC([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558920
C=C1[C@H](CC([C@@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558925
C=C1[C@H](CC([C@H]1CO)O)n2cnc3c2nc([nH]c3=O)N E558930
c1cc(cc(c1)O)C[C@H](CO)[C@H](Cc2cccc(c2)O)CO E558940
c1cc(cc(c1)O)CC([13CH2]O)[13CH](Cc2cccc(c2)O)[13CH2]O E558942
c1cc(cc(c1)O)C[C@H]2C(COC2=O)Cc3cccc(c3)O E558950
c1cc(cc(c1)O)C[13C@H]2C([13CH2]O[13C]2=O)Cc3cccc(c3)O E558952
c1ccc(c(c1)N)NC(=O)c2ccc(cc2)CNC(=O)OCc3cccnc3 E559300
Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)C6CCN(CC6)Cc7ccccn7 E560000
C/C(=C\c1ccccc1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O E565300
c1ccc(c(c1)C#N)OCC(CNCCNC(=O)Cc2ccc(cc2)O)O E565500
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C#N)O)NCCNC(=O)Cc2ccc(cc2)O E565502
CCc1ccc(cc1)C(=O)C(C)CN2CCCCC2 E565800
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(cc2)CC)([2H])[2H])([2H])[2H])[2H].Cl E565802
C[C@H]([C@H](c1ccccc1)O)NC.[Cl] E575000
[2H]C([2H])([2H])N[C@@H](C)[C@@H](c1ccccc1)O.Cl E575002
[2H]C([2H])([2H])[C@@H]([C@@H](c1ccccc1)O)NC([2H])([2H])[2H].Cl E575003
C[C@@H]([C@H](c1ccccc1)O)NC.Cl E575005
[2H]C([2H])([2H])N[C@@H](C)[C@H](c1ccccc1)O.Cl E575007
C[C@@H]([C@@H](c1ccccc1)O)NC E575010
[2H]C([2H])([2H])N[C@@H](C)[C@@H](c1ccccc1)O E575012
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O E578000
[2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O E578002
C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E578010
[2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@H]2C1([2H])[2H])CCC4=O)C)C)([2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E578012
Cc1c2c(c(c3c1c(ccc3O)Cl)O)C(=O)[C@]4([C@@H](C2)[C@H](C(=C(C4=O)C(=O)N)O)N(C)C)O.Cl E578060
Cc1c2cccc(c2c(c3c1C[C@H]4[C@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)O)N(C)C)O)O.Cl E578070
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)C4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@H](C)C(C)C)O)O E582000
C1C(O1)CBr E582250
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O E582260
c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O E582265
[2H]C1(C(O1)([2H])C([2H])([2H])Cl)[2H] E582302
C1[C@@H](O1)CCl E582305
C1[C@H](O1)CCl E582310
CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)Cl.Cl E582490
CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)O E583500
c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@H](O2)[15n]3ccc(=O)[15nH][13c]3=O)(F)F)OC(=O)c4ccccc4 E584502
c1cn(c(=O)[nH]c1=O)[C@@H]2C([C@H]([C@H](O2)CO)O)(F)F E584800
c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@H](O2)n3ccc(=O)[nH]c3=O)(F)F)OC(=O)c4ccccc4 E584805
CC1=C2[C@H](C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O E585300
C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O E585900
C[C@@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O E585915
[2H]c1cc2c(c(c1O)[2H])CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C([C@]([C@]4([2H])O)([2H])O)([2H])[2H])C E586502
[2H]C1C[C@]2([C@@H](C[C@H]([C@H]2O)O)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])O)C E586512
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O E587500
CN1CC[C@@]23C=C[C@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O E588025
[2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CCN(C2)C)C=C[C@H](C4)O E588027
C[N+]1(CC[C@@]23C=C[C@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O)[O-] E588035
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O E588490
c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O E588500
[2H]c1c(c(c(c(c1O)O)O)[2H])[C@@H]2[C@@H](Cc3c(c(c(c(c3O2)[2H])O)[2H])O)OC(=O)c4c(c(c(c(c4[2H])O)O)O)[2H] E588502
c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 E588505
c1ccc(cc1)C(=O)OC[C@@H]2[C@H](C([C@H](O2)[15n]3ccc([15n][13c]3=O)N)(F)F)OC(=O)c4ccccc4 E588507
c1cn(c(=O)nc1N)[C@@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl E588510
c1c[15n]([13c](=O)[15n]c1N)[C@@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl E588512
c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 E588515
c1ccc(cc1)C(=O)OC[C@@H]2[C@@H](C([C@@H](O2)n3ccc(nc3=O)N)(F)F)OC(=O)c4ccccc4 E588516
c1c(nc(=O)n(c1)[C@@H]2O[C@@H](C([C@]2(F)F)O)CO)N E588520
c1cn(c(=O)nc1N)[C@H]2CS[C@@H](O2)CO E588525
c1c[15n]([13c](=O)[15n]c1N)[C@H]2CS[C@@H](O2)CO E588527
CC[C@@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C E588530
c1cn(c(=O)nc1N)[C@@H]2CS[C@H](O2)CO E588545
CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@@H]([C@H](C([C@H](O2)SC)O)O)O)C(C)O.Cl E588550
c1ccc2c(c1)Cc3ccccc3N4C2CN=C4N.Cl E588560
c1cc(ccc1C2Cc3ccc(cc3OC2)O)O E593000
c1cc(ccc1[C@@H]2Cc3ccc(cc3OC2)O)O E593001
[2H]C1C(C(c2ccc(cc2O1)O)([2H])[2H])([2H])c3ccc(cc3)O E593002
CCc1ccc(cc1)OCC2CO2 E679650
CCOC(=O)N1CCc2ccccc2[C@@H]1c3ccccc3 E679700
CC[N+]1=C(C(c2c1cccc2)(C)C)C.[I-] E679900
C#Cc1cccc(c1)N E685070
[2H]c1c(c(c(c(c1[2H])N)[2H])C#C)[2H] E685072
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(C#C)O)O E685095
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O E685100
[2H]c1cc2c(c(c1O)[2H])CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC([C@]4(C#C)O)([2H])[2H])C E685102
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E685105
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(C#C)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O E685110
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@]2(C#C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)OC)O)O)O)O E685113
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OS(=O)(=O)O E685115
CC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C E685125
CC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)O)C)C#C E685130
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCc4c3ccc(c4)OS(=O)(=O)[O-])C)C#C.c1cc[nH+]cc1 E685135
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc3c(c2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@]5(C#C)OC(=O)C)C)C(=O)OC)OC(=O)C E685140
CC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C#C)OC(=O)C)C E685150
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@]2(C#C)O)O)O E686500
CCOC(=O)N1CCC23CCCCC2C1Cc4c3cc(cc4)OC E700050
CCOC(=O)c1cn[nH]c1N E703100
CCOC(=O)c1cccnc1N E705500
CCOC(=O)c1c(cccn1)N E705505
CCOS(=O)(=O)c1ccc(cc1)O E708000
CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)/C=C/C=C/3\C(c4cc(ccc4N3CCCCCC(=O)NCCNC(=O)CCC(=O)Nc5ccc(c(c5)C(F)F)OP(=O)(O)O)S(=O)(=O)[O-])(C)C.[K+] E717720
CCOC(C(=O)OCC)O E817860
CCN1C(=O)CCCC1=O E817880
CNC[C@@H](c1ccc(c(c1)O)O)O E588580
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[2H]c1cc2c(c(c1O)[2H])CC=C3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C E592802
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[2H]c1cc2c(c(c1OS(=O)(=O)[O-])[2H])CC=C3[C@@H]2CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C.[Na+] E592822
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CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O E649950
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[2H]c1cc2c(c(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)[2H])CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC(C5=O)([2H])[2H])C.[Na+] E889057
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)N E889060
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)[O-].[Na+] E889065
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)[O-].[Na+] E889070
[2H]C1C[C@]2([C@@H](CCC2=O)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])OS(=O)(=O)[O-])C.[Na+] E889072
CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C E889100
CN1CCN(CC1)C(=O)O[C@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl E889150
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])C(=O)O[C@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)([2H])[2H])[2H] E889152
C[N+]1(CCN(CC1)C(=O)O[C@H]2c3c(nccn3)C(=O)N2c4ccc(cn4)Cl)[O-] E889155
CCN(C)C(C)C(c1ccccc1)O.Cl E889200
[2H]C([2H])([2H])N(CC)C(C)C(c1ccccc1)O.Cl E889202
CCn1c2c(cn1)c(c(cn2)C(=O)OCC)NN=C(C)C E889250
CC[C@@H](CO)NCCN[C@@H](CC)CO E889800
[2H]C([2H])(C([2H])([2H])N[C@@H](CC)CO)N[C@@H](CC)CO E889802
CCNCC.c1cc(c(cc1O)S(=O)(=O)O)O E889950
[2H]C([2H])([2H])C([2H])([2H])O E890122
CS(=O)(=O)SCCSS(=O)(=O)C E890350
CC1(OCCO1)CCC2(OCCO2)C E890365
[2H]C([2H])([2H])N([C@H](Cc1cn(c(n1)SC(=O)OCC)C(=O)OCC)C(=O)OC)C([2H])([2H])[2H] E890372
c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@H]([C@H](O4)CO)O E890380
c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@H]([C@H](O4)COP(=O)(O)O)O E890385
C1CCNC(C1)CCO E890390
C=Cc1cccc2c1CC(=O)N2 E890400
CC(CCCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)C=C E890405
[2H]C([2H])([2H])C([2H])(C([2H])([2H])CCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)C=C E890407
CCc1c(ncc(n1)C)C=C E890410
CCc1cc(ccn1)C(=S)N E890420
CCc1cc(ccn1)C(=S=O)N E890423
CCSCC[C@H](C(=O)O)N E890425
CCSCCC(C(=O)O)N E890430
CCSCC[C@@H](C(=O)O)N E890435
CCC1(CC(=O)NC1=O)C E890440
[2H]C([2H])([2H])CC1(CC(=O)NC1=O)C E890442
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C E890445
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4([13C]#[13CH])O)C E890447
[2H]C1(C[C@H]2[C@@H]3CC=C4C=C(CC[C@@]4([C@H]3CC[C@@]2(C1([2H])O)C)C)OCC)[2H] E890452
CCOC1=CC2=CC[C@H]3[C@@H]4CCC(=O)[C@]4(CC[C@@H]3[C@]2(CC1)C)C E890453
CCOC(=O)CCCCCCCCCCC(=O)O E890455
CCOC(=O)CCCCCCCCCCC(=O)Cl E890460
CCOc1[nH]c2c(cccc2n1)C(=O)OC E890465
[2H]C([2H])([2H])C([2H])([2H])Oc1[nH]c2cccc(c2n1)C(=O)OC E890467
CCOc1cc(ccc1C(=O)OCC)CC(=O)O E890470
[2H]C([2H])([2H])[N+]([C@H](Cc1cn(c(n1)SC(=O)OCC)C(=O)OCC)C(=O)OC)(C([2H])([2H])[2H])C([2H])([2H])[2H].[I-] E890477
CCOC(=O)/C=C(\C)/C[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] E890480
CCOC(=O)NCC1(N(C(CO1)(C)C)O)C E890485
CCOC(=O)N[C@](C)(Cc1c[nH]c2c1cccc2)C(=O)OC E890490
CCOC(=O)N[C@@](C)(C(C)C)C(=O)O E890495
CCOC(=O)CCCCCCCCO E890500
CCCc1c(c(n(n1)C)C(=O)N)NC(=O)c2ccccc2OCC E891000
CCCc1c(c(nn1C)C(=O)N)NC(=O)c2ccccc2OCC E891010
CCOC(=O)CN1CCNCC1 E891400
CCC(=O)OCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)O)NC(=O)C E891500
CCOC(=O)N1CCC(CC1)Nc2nc3ccccc3n2Cc4ccc(cc4)F E891545
CCOC(=O)CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)N2C(=O)c3ccccc3C2=O E891570
B(c1ccc(cc1)C(=O)OCC)(O)O E891575
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)O E891580
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)OCc2ccccc2 E891583
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)O E891585
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)O E891586
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)OCc2ccccc2 E891588
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)OC(C)(C)C E891590
CCOC(=O)c1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)O E891595
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N2[C@@H]3CCC[C@@H]3C[C@@H]2C(=O)OCc4ccccc4 E891600
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H]3CCC[C@@H]3C[C@H]2C(=O)OCc4ccccc4 E891605
CCOC(=O)c1ccc(cc1)N2CCNCC2 E891610
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(cc2)C(=O)OCC)([2H])[2H])[2H] E891612
CCOC(=O)c1ccc(cc1)c2cn3cc(ccc3n2)C E891615
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)OCc4ccccc4 E891620
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)OCc4ccccc4)[2H])[2H] E891622
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@H]3CCC[C@H]3C[C@H]2C(=O)OCc4ccccc4 E891625
CCC(=S)NC(=O)OCC E891630
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](CCCCNC(=O)C(F)(F)F)C(=O)O E891650
CCOC(=O)c1c(c(c([nH]1)/C=C\2/c3ccccc3NC2=O)CCC(=O)OC)C E891660
CCOc1cc(sn1)CCl E891675
CCOc1ccc2ccc(=O)oc2c1 E891725
[2H]C([2H])([2H])C([2H])([2H])Oc1ccc2ccc(=O)oc2c1 E891727
CCOC(=O)CCC(=O)Nc1ccccc1C(=O)OCC E891790
CCOC(=O)CCC(=O)Nc1cccnc1C(=O)OCC E891810
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)OC([2H])([2H])C([2H])([2H])[2H])CC(=O)O E891902
CCOC(C)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C)O E891930
CCOC(C)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC3C4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)C)O E891935
[2H]C1=C2[C@](C=CC1=O)(C34[C@@H](CC2([2H])[2H])[C@@H]5C[C@@H]([C@@]([C@]5(CC3O4)C)(C(=O)C([2H])([2H])OC(C)OCC)O)C)C E891937
CCOC(C)O[C@@H]1[C@H]2C(C([C@H]3C1OC(O3)(C)C)O)OC(O2)(C)C E891950
[2H][C@]12[C@@H](CC(C3=CC(=O)C(C[C@@]31C)([2H])[2H])([2H])[2H])[C@@H]4CC[C@@]([C@]4(C(C2=O)([2H])[2H])C)(C(=O)C([2H])([2H])OC(C)OCC)O E891992
CCOCCSC[C@@H](C(=O)O)N E892000
CCOC(C)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C E892005
CCOC(C)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O E892010
CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C(C)OCC)C=O)Cl E892015
CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C(C)OCC)C(=O)O)Cl E892020
CCOP(=O)(OC1CC(N(C(C1)(C)C)[O-])(C)C)F E892025
CCOc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4/C(=N/O)/N)C(=O)OC E892030
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4/C(=N/O)/N)C(=O)OC E892032
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2cccc(c2n1Cc3ccc(cc3)c4ccccc4/C(=N/O)/NC(=O)OCC(CC)CCCC)C(=O)OC E892037
CCOP(=O)OC1CC(N(C(C1)(C)C)[O-])(C)C E892240
CCOC=C(C#N)C#N E892450
CCOCc1cnc([nH]c1=O)C E892470
CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)Cl)C E892500
CCOc1c2c(cc(c1N3C[C@@H]4CCCN[C@@H]4C3)F)c(=O)c(cn2C5CC5)C(=O)O.Cl E892525
[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O E892552
CCOc1ccccc1OCC=O E892600
CCOc1ccccc1OCC(OCC)OCC E892610
CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CNC(=O)CO3 E892650
[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O[C@H](c2ccccc2)[C@H]3CNC(=O)CO3 E892652
CCOc1ccccc1O[C@H](c2ccccc2)[C@H](CO)O E892660
[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O[C@H](c2ccccc2)[C@H](CO)O E892662
CCOc1ccccc1OCCBr E892663
CCOc1ccccc1O[C@H](c2ccccc2)[C@H](COC(=O)c3ccc(cc3)[N+](=O)[O-])O E892665
[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1O[C@H](c2ccccc2)[C@H](CO)OS(=O)(=O)C E892677
CCOc1ccccc1O[C@H](c2ccccc2)[C@H](COC(=O)c3ccc(cc3)[N+](=O)[O-])OS(=O)(=O)C E892680
CCOc1ccccc1OCC2CO2 E892685
CCOc1ccccc1O[C@H](c2ccccc2)[C@H]3CO3 E892695
CCC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)OCC E892700
[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccc(cc2)OCC E892702
CCCc1c2c(c(=S)[nH]c(n2)c3ccccc3OCC)n(n1)C E892710
CCCc1c2c(c(=O)[nH]c(n2)c3ccccc3OCC)n(n1)C E892725
CCCc1c2c(c(=O)[nH]c(n2)c3ccccc3OCC)nn1C E892730
CCCc1nc(c2n1[nH]c(nc2=O)c3ccccc3OCC)C E892745
CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)O E892780
CCOc1cc(ccc1N2C(=O)c3ccccc3C2=O)N/C=C(\C#N)/C(=O)Nc4ccc(c(c4)Cl)F E892785
CCOc1ccc2c(c1)C(=CC(N2)(C)C)C E892800
CCOc1ccc2c(c1)oc-3cc(=O)ccc3n2 E892875
CCOc1ccc2c(c1)oc-3cc(=O)ccc3[n+]2[O-] E892880
CCOC(=S)Sc1cccc(c1)CC(=O)O E892965
CCOc1nc2c(cccc2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC E892995
[2H]c1c(c(c(c(c1Cn2c3cccc(c3nc2OCC)C(=O)OC)[2H])[2H])c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)[2H] E892996
[2H]C([2H])([2H])C([2H])([2H])Oc1nc2c(cccc2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C(c6ccccc6)(c7ccccc7)c8ccccc8)C(=O)OC E892997
CCOC(=O)C(Cc1c[nH]c2c1cccn2)(C(=O)OCC)NC(=O)C E894650
CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C E894750
CCOC(=O)COc1c(c(on1)C)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C E894875
CCOC(=O)C(Cc1c(onc1O)C)(C(=O)OCC)NC(=O)C E894905
CCOC(=O)C(Cc1c(on(c1=O)COC)C)(C(=O)OCC)NC(=O)C E894920
CCOC(=O)N1CCC(CC1)C(=O)N E895225
CCOC(=O)CCCOC(=O)C E896000
CCOC(=O)C(OC(=O)C)P(=O)(OCC)OCC E896185
CCOC(=O)OC(=O)C1=CC(N(C1(C)C)C(=O)C)(C)C E896350
CCOC(=O)[C@@H](Cc1ccccc1)SC(=O)C E896575
[2H]C([2H])([2H])C([2H])([2H])n1cnc(c-2ncnc12)N E897150
[2H]C([2H])([2H])C([2H])([2H])n1cnc2c1ncnc2N E897180
CCOC(=O)C(=C)c1ccccc1 E897350
CCC(C(=O)OCC)NCC E897980
CCNCCCCC1C(=O)NC(=O)N1 E898000
CCOC(=O)[C@H]1CC[C@@H](CC1)N.Cl E898100
CCOC(=O)CNCc1c(ccc(c1Cl)Cl)N E898180
CCO[13C](=O)[13CH2]NCc1c(ccc(c1Cl)Cl)N E898182
CCc1cc(cc(c1N)CC)/C=C\C(=O)OCC E898255
COCCCC/C(=N\OCCNCCN)/c1ccc(cc1)C(F)(F)F E898280
CCCCCCCCCCCCC/C=C/[C@H]([13C@H]([13C](=O)OCC)N)O E898317
CCOC(=O)c1c2ccccc2[nH]c1N E898525
CCOC(=O)c1cnc(nc1N)S E898775
CCOC(=O)c1cc2cc(c(cc2[nH]1)N)OC E898810
CCOC(=O)c1cc2cc(c(cc2[nH]1)N)OC.Cl E898815
CCNCc1cc(ccc1O)N E898820
[2H]C([2H])([2H])C([2H])([2H])NCc1cc(ccc1O)N E898822
CCNCc1cc(ccc1O)[N+](=O)[O-] E898825
[2H]C([2H])([2H])C([2H])([2H])NCc1cc(ccc1O)[N+](=O)[O-] E898827
CCOC(=O)C(C)(C)N.Cl E898855
[2H]C([2H])([2H])C(C(=O)OCC)(C([2H])([2H])[2H])N.Cl E898857
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NCCCCC(=O)O E898900
[2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NCCCCC(=O)O E898902
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NCCCCC(=O)O.Cl E898910
CCOC(=O)C(=O)Nc1ccc(cc1)N E899100
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N E899150
[2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N E899152
CCNC(C)C(=O)Nc1ccccc1C E899175
CCNC(C)C(=O)c1ccccc1.Cl E899200
[2H]C([2H])([2H])C([2H])([2H])NC(C)C(=O)c1ccccc1.Cl E899202
CCOC(=O)c1ccsc1N E899325
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC E899400
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC E899402
CCOC(=O)CC(=O)COCCN=[N+]=[N-] E899555
[2H]C([2H])(C([2H])([2H])OCC(=O)CC(=O)OCC)N=[N+]=[N-] E899557
CCOC(=O)/C(=C\c1ccccc1Cl)/C(=O)COCCN=[N+]=[N-] E899575
CCOC(=O)[C@@H]([C@H](c1ccccc1)N=[N+]=[N-])O E899625
CCc1ccccc1C=O E899750
CCc1cccc(c1)C(=O)c2ccccc2 E899790
CC[C@H](c1ccccc1)N E899970
CCOC(=O)c1ccc2ccc3ccccc3n2c1=O E899975
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NC(=O)OCc7ccccc7 E899980
[2H]C([2H])([2H])Cc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)NC(=O)OCc7ccccc7 E899982
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)C(=O)OCC)[2H])[2H] E899987
CCOC(=O)CCN(Cc1ccccc1)C(C)C(=O)OCC E899990
CCOC(=O)[C@H](C)OCc1ccccc1 E900010
CCOC(=O)[C@H]([C@@H]([C@H]1CCCCN1C(=O)OCc2ccccc2)O)O E900020
CCOC(=O)/C=C/[C@H]1CCCCN1C(=O)OCc2ccccc2 E900030
CCOC(=O)CC(Cc1ccccc1)(C(=O)OCC)C(=O)OCC E900035
CCC(c1ccc(cc1)OC)C(CC)C(=C)c2ccc(cc2)OC E900040
CCOC(=O)C(C)P(=O)(OCC(F)(F)F)OCC(F)(F)F E900050
CCOC(=O)C(c1c(c2ccccc2oc1=O)O)c3c(c4ccccc4oc3=O)O E900100
[2H]c1c(c(c2c(c1[2H])c(c(c(=O)o2)C(c3c(c4c(c(c(c(c4oc3=O)[2H])[2H])[2H])[2H])O)C(=O)OCC)O)[2H])[2H] E900102
CCOC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)OC(C)(C)C E900130
CCOC(=O)c1ccc(cc1)C(=O)CBr E900150
CCOC(=O)CCc1cc2c(c(c1)Br)OCC2 E900250
CCOC(=O)C(C(C)C)Br E900330
CCOC(=O)C(C)(C)CC(=O)CCl.CCOC(=O)C(C)(C)CC(=O)CBr E900375
CCOC(=O)C(=C)CBr E900390
CCOC(=O)/C(=C/N(C)C)/C(=O)C E916625
CCN=C=NCCCN(C)C.[Cl] E916635
CCOC(=O)C(C)(C)Cc1ccc(cc1)S(=O)(=O)Cl E916650
CCOC(=O)C(C)(C)C#N E916680
CCc1[nH]c2c(n1)c(cc(n2)C)C E916720
CCOC(=O)/C=C(\C)/CBr E900400
CCOC(=O)/C=C(/C)\CBr E900405
CCOC(=O)/C=C/c1ccc(cc1)CBr E900435
CCOC(=O)OC(=O)C1=C(C(N(C1(C)C)[O-])(C)C)Br E900450
CCOC(=O)C(Cc1ccccc1)Br E900480
[2H]C([2H])(C(=O)OCC)C([2H])([2H])Br E900532
CCOC(=O)C(C(=O)NCCC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C E900585
CCOC(=O)CO[Si](C)(C)C(C)(C)C E900620
CCOC(=O)/C(=C\C[C@@H](/C(=C/c1csc(n1)C)/C)O[Si](C)(C)C(C)(C)C)/C E900675
CCOC(=O)C(C)(C)CC(=O)CSC(C)(C)C E900750
CCc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@]5(CC)O E900825
CCc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@]5(CC)O E900830
[2H]C([2H])([2H])Cc1c2ccccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O E900832
CCc1ccc2cc3c(nc2c1)-c4cc5c(c(=O)n4C3)COC(=O)[C@@]5(CC)O E900835
CCn1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900860
[2H]C([2H])([2H])C([2H])([2H])n1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900862
CCn1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900865
[2H]C([2H])([2H])C([2H])([2H])n1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)O E900867
CCn1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900870
[2H]C([2H])([2H])C([2H])([2H])n1c(nnn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900872
CCn1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900875
[2H]C([2H])([2H])C([2H])([2H])n1nc(nn1)c2ccccc2c3ccc(cc3)Cn4c5c(cccc5nc4OCC)C(=O)OC(C)OC(=O)OC6CCCCC6 E900877
CCOC(=O)C(C(CC(=O)c1cccnc1)c2cccnc2)C(=O)OCC E900920
CCNC(=O)[C@@H]1C([C@@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O E900980
CCNC(=O)[C@@H]1[C@H]2C([C@@H](O1)n3cnc4c3ncnc4N)OC(O2)(C)C E900995
CCOC(=O)[C@H]1CCC(=O)N1C(=O)C E901050
CCOC(=O)[C@H]1CCC(=O)N1 E901275
CCOC(=O)[C@@H]1CCC(=O)N1 E901276
CCOC(=O)CCCn1c(=O)c2c(ncn2C)n(c1=O)C E901500
[2H]C([2H])([2H])C([2H])([2H])c1ccc(c(c1)O)O E901762
CCOC(=O)CCl E901780
CCO[13C](=O)[13CH2]Cl E901782
CCOC(=O)CC(=O)CCl E901800
CCO[13C](=O)[13CH2][13C](=O)[13CH2]Cl E901802
CCOC(=O)CCCCl E901830
[2H]C([2H])(C(=O)OCC)C([2H])([2H])C([2H])([2H])Cl E901832
CCOC(=O)c1cc(c(nc1Cl)C)C E901840
CCOC(=O)C(C=O)Cl E901885
CCOC(=O)c1cn2c(n1)ccc(n2)Cl E901920
CCOC(=O)C(CCl)O E901940
CCOC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)c2cc(ccc2OC)Cl E901960
CCOC(=O)c1cnc(o1)CCl E901980
CCOC(=O)c1cnc(nc1Cl)SC E902000
CCOC(=O)c1ccc2cc(ccn2c1=O)Cl E902750
CCOC(=O)Nc1ccccc1Oc2ccc(cc2)Cl E903250
CCOC(=O)C(=C)CCCCCCOc1ccc(cc1)Cl E903450
CCc1cccc2c1ccc3c2ccc4c3cccc4 E903475
CCOC(=O)/C=C\c1ccccc1 E903950
CCOC(=O)C[13C]#N E905557
CCOC(=O)[13CH2][13C]#N E905558
CCOC(=O)C(=C)C#N E905600
CCOC(CC(C#N)C(=O)OCC)OCC E907500
CCC(C#N)(c1ccccc1)C(=O)OCC E907750
CCOC(=O)C#N E907820
CCOC(=O)C[C@H](CC#N)O E907920
CCOC(=O)C(C#N)c1ccccc1[N+](=O)[O-] E908175
CCOC(=O)N1CCC(CC1)C#N E908600
CCOC(=O)C(c1ccccc1)(C2CCCCC2)O E908950
CCOC(=O)C1CC1 E909050
[2H]C1(C(C1([2H])[2H])C(=O)OCC)[2H] E909052
[2H]C1(C(C1([2H])C(=O)OCC)([2H])[2H])[2H] E909053
CCOc1ccc2c(c1)occ(c2=O)c3ccc(cc3)O E911500
CCS[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)F E913500
CCN1CC([C@H]([C@@H](C1CO)O)O)O.Cl E915000
CCS[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)OCc4ccccc4)OCc5ccccc5 E915750
CCS(=O)[C@@H]1[C@H]([C@H]([C@H]2[C@H](O1)COC(O2)c3ccccc3)OCc4ccccc4)OCc5ccccc5 E915775
CCOC(=O)CCc1cc2c(c(c1Br)Br)OCC2 E915820
CCOC(=O)CCCCC(C(=O)C(C)N1C(=O)c2ccccc2C1=O)(C(=O)OCC)C(=O)OCC E915860
CCOC(=O)c1c(=O)[nH]c2cc(c(cc2n1)Cl)Cl E915900
CCOC(=O)COc1ccc(c2c1ncc(c2)Cl)Cl E915925
CCOC(=O)C(CC#N)C#N E915950
CCCCCC1C(O1)CC2C(O2)CCCCCCCCCC(=O)OCC E916000
CCOC(C(=O)OCC)OCC E916200
CCOC(=O)C(O)P(=O)(OCC)OCC E916440
CCN(CC)C(=O)Sc1ccccc1CC(=O)OCC E916445
CCN(CC)C(=S)Oc1ccccc1CC(=O)OCC E916450
CCN(CC)C(=S)Oc1cccc(c1)CC(=O)OCC E916455
CCN(CC)C(=O)Sc1cccc(c1)CC(=O)OCC E916460
CCOC(=O)C(C(c1cccnc1)O)(F)F E916490
CCOC(=O)C(F)(F)S E916500
CCOC(=O)CCc1ccc2c(c1)CCO2 E916520
CCOC(=O)/C=C/c1ccc2c(c1)CCO2 E916525
CCC1=C(CN(C1=O)C(=O)NCCc2ccccc2)C E916535
[2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccccc2)C E916537
CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OCC)C E916540
[2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OCC)C E916542
CCOC(=O)[C@H]([C@@H](c1cccc[n+]1[O-])O)O E916550
CCC1=NCCC1 E916560
[13CH3][13CH2]C1=NCCC1 E916562
CCS[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)c3ccc(cc3)OC)OCOc4ccc(cc4)OC)OCOc5ccc(cc5)OC E916575
CCS(=O)[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@@H](O2)c3ccc(cc3)OC)OCOc4ccc(cc4)OC)OCOc5ccc(cc5)OC E916585
CC/C(=C\c1ccc(cc1)OC)/C(=O)c2ccc(cc2)OC E916600
CCOC(=O)C(C)(C)Cc1ccc(cc1)S E916750
CCOC(=O)c1cc(c(nc1)C)C E916760
CCOC(=O)COc1c(cccc1C)C E916780
CCOC(=O)C(C)(C)c1ccccc1 E916810
CCOC(=O)C(C)(C)Cc1ccccc1 E916850
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34 E916950
CCCC1(OCCO1)CC(=O)OCC E917075
CCC(Cc1ccc(c(c1)O)O)(C(=O)O)N.Br E917280
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(c2cc3n(c(=O)c2COC1=O)CCC3=O)O E917302
[2H]C([2H])([2H])C([2H])([2H])C1(c2cc3n(c(=O)c2COC1=O)CCC34OCCO4)O E917312
CCc1cccc2c1CC(=O)N2 E917320
[2H]C([2H])([2H])C([2H])([2H])C1c2cc3n(c(=O)c2COC1=O)CCC34OCCO4 E917342
CC[C@@]1(c2cc3n(c(=O)c2COC1=O)CCC3=O)O E917350
CCN1CCNC(=O)C1=O E917360
CCc1ccc(c2c1cccc2)C(=O)N(c3ccccc3)c4ccccc4 E917380
c1cc(c(cc1N)S(=O)(=O)[O-])CCc2ccc(cc2S(=O)(=O)[O-])N.[Na+].[Na+] E917400
C(CC(=O)N[C@@H](CSCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N E917460
C(CNC(=O)CI)NC(=O)CI E917500
CC1=C(C(CCC1)(C)C)/C=C/C(C)(C=C)O E917540
[2H]C([2H])([2H])C(C=C)(/C=C/C1=C(CCCC1(C)C)C)O E917542
C1=CC(=O)N(C1=O)CCN2C(=O)C=CC2=O E917700
C(CN(CCN(CCC(=O)O)CC(=O)O)CC(=O)O)C(=O)O E917720
C1=CC(=O)N(C1=O)CCNC(=O)CC(C(=O)NCCN2C(=O)C=CC2=O)NC(=O)CN(CCN(CC(=O)NC(CC(=O)NCCN3C(=O)C=CC3=O)C(=O)NCCN4C(=O)C=CC4=O)CC(=O)NC(CC(=O)NCCN5C(=O)C=CC5=O)C(=O)NCCN6C(=O)C=CC6=O)CC(=O)NC(CC(=O)NCCN7C(=O)C=CC7=O)C(=O)NCCN8C(=O)C=CC8=O E917725
C1=CC(=O)N(C1=O)CCNC(=O)CN(CCN(CC(=O)NCCN2C(=O)C=CC2=O)CC(=O)NCCN3C(=O)C=CC3=O)CC(=O)NCCN4C(=O)C=CC4=O E917730
CCc1ccc(cc1)C(=O)C(C)NC.Cl E922000
[2H]C([2H])([2H])NC(C)C(=O)c1ccc(cc1)CC.Cl E922002
CCC1=NC(CC1(c2ccccc2)c3ccccc3)C.Cl E923500
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O E917745
C(CN(C[13C](=O)O)C[13C](=O)O)N(C[13C](=O)O)C[13C](=O)O E917747
C[13CH](C(=O)O)N(CCN([13CH2]C(=O)O)[13CH2]C(=O)O)[13CH2]C(=O)O E917748
C(CC(=O)O)[C@H](C(=O)O)NCCN[C@@H](CCC(=O)O)C(=O)O E917750
CCOC(=O)CN(CCN(CC(=O)OCC)CC(=O)OCC)CC(=O)OCC E917755
[2H]c1cc2c(c(c1O)[2H])C(C[C@@H]3[C@@]2(CC[C@]4([C@H]3C[C@H](C45OCCO5)O)C)[2H])([2H])[2H] E917757
CC(CCCO)C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CCC5(C4)OCCO5)C)O[Si](C)(C)C(C)(C)C)O)C E917760
c1ccc2c(c1)C(=O)N(C2=O)OCCON3C(=O)c4ccccc4C3=O E917765
CC(CCCOS(=O)(=O)[O-])C1CC[C@@H]2[C@@]1([C@H](CC3C2[C@@H](C[C@@H]4[C@@]3(CCC5(C4)OCCO5)C)O[Si](C)(C)C(C)(C)C)O)C.C[NH+](C)C E917770
c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC4(OCCO4)c5ccc(cc5)F.Cl E917775
[2H]C1(C(NC(=O)N1)([2H])[2H])[2H] E917782
CCCCCCCC1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)O E917785
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)O E917787
CCCCCCCCCCCCC/C=C/[C@H]([C@H](C(=O)OCC)N)O.Cl E917790
CCCCCCCC1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)OC(=O)c4ccc(cc4)c5ccccc5 E917800
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(OCCO1)CC[C@H]2[C@@H](C[C@H]3[C@@H]2CC(=O)O3)OC(=O)c4ccc(cc4)c5ccccc5 E917802
c1cc(ccc1C(=O)O)NCCNc2ccc(cc2)C(=O)O E917810
CCC(CC)OC1C=C(C[C@H]2[C@@H]1O2)C(=O)OCC E917820
CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@H]3CC[C@H](C4)O)C)O E917825
CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@H]34)C)O E917830
CCOC(=O)CCCCCCCCCCC(=O)OCC E917840
CCOC(=O)CC(C(=O)c1cccnc1)C(=O)OCC E917850
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)OC([2H])([2H])C([2H])([2H])[2H])C E917857
CCc1ccccc1F E917870
[2H]C([2H])([2H])C([2H])([2H])c1ccccc1F E917872
CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)C#C E917880
CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C[Si](C)(C)C)O)C#C[Si](C)(C)C E917885
CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C[Si](C)(C)C)O)OS(=O)(=O)C(F)(F)F E917890
CC[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C[Si](C)(C)C)O[Si](C)(C)C)OS(=O)(=O)C(F)(F)F E917895
CCc1ccc(nc1)CC(=O)OCC E917905
[2H]C([2H])(c1ccc(cn1)CC)C(=O)OCC E917907
CCOC(=O)c1c(nc(nc1C(C)C)N)c2ccc(cc2)F E917908
[2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C(=O)OCC)C([2H])([2H])[2H] E917912
CCOC(=O)c1c(nc(nc1C(C)C)NS(=O)(=O)C)c2ccc(cc2)F E917915
CCOC(=O)c1c(nc(nc1C(C)C)S(=O)(=O)C)c2ccc(cc2)F E917920
[2H]C([2H])([2H])C(c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)C(=O)OCC)C([2H])([2H])[2H] E917922
CCOC(=O)c1c(nc(nc1C(C)C)SC)c2ccc(cc2)F E917935
CCOC(=O)C(=O)c1ccc(cc1)F E917945
[2H]C([2H])([2H])C(C(=O)/C(=C/c1ccc(cc1)F)/C(=O)OCC)C([2H])([2H])[2H] E917952
CCc1c(cncn1)F.Cl E918000
[2H]C([2H])([2H])Cc1c(cncn1)F E918002
CCc1c(c(=O)nc[nH]1)F E918015
CCOC(=O)/C(=C/C=C/c1cccnc1)/F E918050
CCOC(=O)c1c(nc(s1)c2ccc(c(c2)F)C(F)(F)F)C E918090
CCOC(=O)c1cc2cc(c(cc2[nH]1)NC=O)OC E918160
CCC(c1cccnc1)N(C)C=O E918225
[2H]C([2H])([2H])C([2H])([2H])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O E918427
CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)O)O)O E918430
CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N E918500
CC[C@@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]4[C@@H]3CCC(=O)C4 E918590
CC[C@@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34 E918600
CCc1cc(ccc1F)C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O E918700
[2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccc(c(c3)CC)F)O)[2H])[2H])Cl)[2H] E918702
CCSC1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E918750
CCCCC(CC)COCC(CO)O E918770
CCCCC(CC)COC(=O)c1cc(c(c(c1Br)Br)Br)Br E918780
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(C([2H])([2H])C([2H])([2H])[2H])C([2H])([2H])OC(=O)c1cc(c(c(c1Br)Br)Br)Br E918782
CCc1ccc(cc1)C(C)C(=O)O E918820
[2H]C([2H])([2H])C(c1ccc(cc1)CC)C(=O)O E918822
CCOC(=O)C1=C(c2ccccc2S(=O)(=O)N1)O E918850
CCOC(=O)CC(=O)c1ccc(cc1O)OCc2ccccc2 E918920
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4 E918935
CC[N+](C)(CCO)CCO.[Br-] E918940
[2H]C([2H])([2H])C([2H])([2H])[N+](C)(CCO)CCO.[Br-] E918942
CC[C@@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC E918945
CCOC(=O)C(=C)CO E918950
CCOC(=O)C1=C(c2ccccc2S(=O)(=O)N1C)O E918980
[2H]C([2H])([2H])C([2H])([2H])NC(=O)[C@@]1(C[C@@H]1CO)c2ccccc2 E918992
CCn1ccc(=O)c(c1C)O E919000
CCOC(=O)Cc1ccccc1O E919070
CCOC(=O)Cc1cccc(c1)O E919075
CCOC(=O)Cc1ccc(cc1)O E919080
CCOC(=O)C/N=C\1/C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C E919160
CCOC(=O)C/N=C\1/C[C@H]2C[C@@H]([C@@]1(C)O)C2(C)C E919165
C/C=C/1\C(CC(N1C)C)(c2ccccc2)c3ccccc3 E919700
C/C=C/1\C(C[C@H](N1C)C)(c2ccccc2)c3ccccc3 E919705
C/C=C/1\C(C[C@@H](N1C)C)(c2ccccc2)c3ccccc3 E919710
CC1O[C@H]2C(O1)[C@H]([C@@H](C(O2)CO)O)O E919825
CC1O[C@H]2[C@H]([C@@H]([C@H](O[C@H]2O1)COC(=O)C)OC(=O)C)OC(=O)C E919850
CCn\1cc(s/c1=N/C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O)C E919950
[2H]C([2H])([2H])C([2H])([2H])n\1cc(s/c1=N/C(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O)C E919952
CCOC(=O)c1cccc(c1)I E920520
CCOC(=O)[13c]1[13cH][13cH][13cH][13c]([13cH]1)I E920522
CCOC(=O)c1ccc(cc1)I E920525
CCOC(=O)/C=C(\C)/C=C/C1=C(CCCC1(C)C)C E920750
CCc1cc2c(cc1OC(=O)N3CCC(CC3)N4CCCCC4)c(c5c(n2)-c6cc7c(c(=O)n6C5)COC(=O)[C@@]7(CC)O)CC E921100
CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)CC(C)C E921225
[2H]C([2H])([2H])C(C(=O)CC(=O)OCC)C([2H])([2H])[2H] E921302
CCN(c1c(nc(c(n1)N)C(=O)N=C(N)N)Cl)C(C)C E921500
CCSC(=N)N.Br E921975
CCOC(=O)[C@@H](C)O E921980
CCOC(=O)/C=C(\C)/C=O E921985
CC[C@@H]1C[C@@H](c2cc(ccc2N1C(=O)OCC)C(F)(F)F)NC(=O)OC E921990
[2H]C([2H])([2H])CC1=NC(CC1(c2ccccc2)c3ccccc3)C.Cl E923502
CC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] E923510
[2H]C([2H])([2H])/C(=C(\CC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] E923512
CCC1=C(C(=O)OC1=O)C E923520
[2H]C([2H])([2H])C1=C(C(=O)OC1=O)CC E923522
CCN1CCCC1CNC.Cl E923650
[2H]C([2H])([2H])NCC1CCCN1CC.Cl E923652
CCc1c(cc(c(=O)[nH]1)C#N)c2ccncc2 E923800
CCN1CCCC(C1)N.Cl E923900
CCCCCCCCCCCCCCCC(=O)OCC E925480
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC E925482
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC E925483
CCP(=O)(Cl)Cl E925485
[B-](F)(F)(F)F.CCCOc1ccccc1C(=[NH2+])OCC E925490
[2H]C([2H])([2H])C([2H])([2H])N1CCNCC1.C(=O)(C(F)(F)F)O E925497
CCc1ccnc(c1)C(=O)O.Cl E925500
[2H]c1c(nc(c(c1C([2H])([2H])C)[2H])C(=O)O)[2H].Cl E925502
CCc1nn(c(=O)n1CC)CCCN2CCN(CC2)c3cccc(c3)Cl.Cl E933680
[2H]C1(C(N(C(C(N1CCCn2c(=O)n(c(n2)CC)CC)([2H])[2H])([2H])[2H])c3cccc(c3)Cl)([2H])[2H])[2H].Cl E933682
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)O)O E933750
[2H]C([2H])([2H])Oc1cc(cc(c1O)OC)[C@@H]2c3cc4c(cc3[C@H]([C@@H]5[C@@H]2C(=O)OC5)O[C@H]6[C@@H]([C@H]([C@H]7[C@H](O6)CO[C@H](O7)C)O)O)OCO4 E933752
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)OP(=O)(O)O)OC)OCO5)O)O E933755
C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)OC3c4cc5c(cc4[C@H]([C@@H]6C3COC6=O)C7=CC(=O)C(=O)C(=C7)OC)OCO5)O)O E933760
[2H]C([2H])(C([2H])([2H])n1cnc2c1c(=O)n(c(=O)n2C)C)NC(C)Cc3ccccc3.Cl F247547
CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl F247595
CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl F247596
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC E924300
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC E924302
CCOC(=O)[C@H]1C[C@@H](CCN1)C E924630
CCOC(=O)[C@H]1C[C@H](CCN1)C E924635
CCOC(=O)[C@H]1C[C@@H](CCN1)C E924640
CCOC(=O)[C@H]1C[C@H](CCN1)C E924645
CCNC E924850
C.CCNCCCCC(C(=O)O)N E925000
CCOC(=O)/C=C/c1ccc(cc1)S E925005
CCOC(=O)C(C)(C)S E925008
CCSS(=O)(=O)C E925010
CCc1c(nc2ccccn2c1=O)C E925015
CS(=O)(=O)SCCC(=O)NCCCCC(C(=O)O)N(CC(=O)O)CC(=O)O.C(=O)(C(F)(F)F)O E925020
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(CCCCNC(=O)CCSS(=O)(=O)C)C(=O)OC(C)(C)C E925025
[2H]C([2H])([2H])C([2H])([2H])Nc1ccc2c(c1)OCO2 E925032
CCN(C)C(=O)Oc1ccc(cc1)[N+](=O)[O-] E925035
CCNCc1ccc(cc1)OC E925040
CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)C E925045
[2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)N)C E925047
CCOC(=O)/C=C(\C)/C=C/c1c(cc(c(c1C)C)OC)C E925050
[2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C(=O)OCC)/C)C E925052
CCOC(=O)C(CN(C)C)c1ccc(cc1)OC E925055
CCS[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)COC(O2)c3ccc(cc3)OC)O)O E925060
[2H]C([2H])([2H])C(=CC(=O)OCC)C([2H])([2H])[2H] E925067
CCOC(=O)COc1ccc(cc1C)S(=O)(=O)Cl E925070
CCOC(=O)Cc1ccc(cn1)C2(OCCO2)C E925075
CCN(CC#CCOC(=O)C(c1ccccc1)(C2CCCCC2)O)Cc3ccc(cc3)OC E925080
CCN(CC#CCO)Cc1ccc(cc1)OC E925085
CCOC(=O)CCC1(OCCO1)C E925086
CCNC(=O)CCC1(OCCO1)C E925087
CCNCCCC1(OCCO1)C E925090
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34 E925095
[2H]C1(C[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]2(C1=O)CC)[2H] E925097
CCOC(=O)c1nccn1C E925100
[2H]C([2H])([2H])SCCC(=O)OCC E925102
CCO/C=N/c1cccc(c1C)[N+](=O)[O-] E925103
CCOC(=O)c1cnn(c1C)c2ccccc2 E925105
CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)C=C(C)C E925110
CCOC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)c2cnc(cn2)C E925113
CCOC(=O)c1c[nH]nc1C E925115
CCOC(=O)C(C)(C)c1ccc(cc1)S(=O)(=O)N E925118
CC[C@H]1C(=O)NC2(S1)CCN(CC2)C E925120
CCOC(=O)c1cccnc1 E925125
CCO[13C](=O)[13c]1[13cH][13cH][13cH]n[13cH]1.Cl E925127
[2H]c1c(c(c(nc1[2H])[2H])C(=O)OCC)[2H] E925128
CCOC(=O)[C@@H]1CCCNC1.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O E925130
CCOC(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-] E925135
CCOC(=O)C(C)C(=O)C E925140
CCN(C)C(=O)Cl E925145
CCOC(=O)/C=C(\C)/c1ccccc1 E925150
CCOc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O)C E925155
[2H]C([2H])([2H])C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O)C E925157
CCOc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)[C@@H]5C=C[C@@H]4O[C@H]6[C@@H](C([C@@H]([C@H](O6)C(=O)O)O)O)O)C E925160
CCNC(C)c1cccnc1 E925165
CCC(C)(CC#N)C#N E925170
[2H]C([2H])([2H])CC(C)(CC#N)C#N E925172
CCN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O.Cl E925175
CCCCCCCCCCCCCC(=O)OCC E925180
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCC E925182
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC E925183
CCN(C)C(C)C=C(c1cccs1)c2cccs2.Cl E925185
[2H]C([2H])([2H])N(CC)C(C)C=C(c1cccs1)c2cccs2.Cl E925187
CCOC(=O)CNCc1c(ccc(c1Cl)Cl)[N+](=O)[O-] E925190
CCO[13C](=O)[13CH2]NCc1c(ccc(c1Cl)Cl)[N+](=O)[O-] E925192
CCOC(=O)Cc1ccc(cc1)[N+](=O)[O-] E925195
CCN1C(CCC1=O)c2cccnc2 E925200
CCN(C)C(=O)Oc1cccc(c1)C=C E925205
CCc1ccc(c2c1cccc2)C(=O)O E925210
CCOC(=O)C[N+](=O)[O-] E925215
CCc1ccc(nc1)CCOc2ccc(cc2)[N+](=O)[O-] E925225
CCC(C(c1ccc(c(c1)O)O)O)N.Cl E925250
CCN1CCCC1c2cccnc2 E925300
CCCCCCCC/C=C\CCCCCCCC(=O)OCC E925325
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC E925327
CCNC(C)C(=O)c1ccc2c(c1)OCO2 E925340
[2H]C([2H])([2H])C([2H])([2H])NC(C)C(=O)c1ccc2c(c1)OCO2 E925342
CCOC(=O)CC(C/C(=N/O)/c1cccnc1)c2cccnc2 E925350
CCOC(=O)C1CCC(=O)CC1 E925360
CCOC(=O)CC(CC(=O)c1cccnc1)c2cccnc2 E925370
[2H]c1c(c(c(c(c1[2H])[2H])CCC(=O)C(=O)OCC)[2H])[2H] E925387
[2H]C([2H])([2H])C([2H])([2H])P(=O)(Cl)Cl E925392
CCC(=O)CC(=O)OCC E925395
[2H]C([2H])([2H])CC(=O)CC(=O)OCC E925397
CCOC(=O)CCC(=O)c1cccnc1 E925400
CCC(CCC(=O)C)C(=O)OC(C)C E925405
CCOC(=O)c1ccc2ccccn2c1=O E925415
CCOC(=O)CC(=O)C=P(c1ccccc1)(c2ccccc2)c3ccccc3 E925425
CCOC(=O)OC(=O)C1=CC(N(C1(C)C)O)(C)C E925435
CCOC(=O)C(Cc1ccccc1)C(=O)C E925438
CCOC(=O)COc1cc2ccc(nc2c(c1)NS(=O)(=O)c3ccc(cc3)C)/C=C/c4ccccc4 E925440
CCOC(=O)[C@@H](c1ccccc1)[C@H]2CCCCN2.Cl E925445
CCSC(=N)Nc1ccccc1 E925450
CCC(c1ccccc1)(C(=O)N)C(=O)N E925455
[2H]C([2H])([2H])C([2H])([2H])C(c1ccccc1)(C(=O)N)C(=O)N E925457
CCC(c1ccccc1)C2NC(=O)C(C(=O)N2)(CC)c3ccccc3 E925460
CC[C@@H]([C@H](C)OCc1ccccc1)NNC=O E925465
[2H]C([2H])([2H])C([2H])([2H])P(=O)(O)[O-].[2H]C([2H])([2H])C([2H])([2H])P(=O)(O)[O-].[2H]C([2H])([2H])C([2H])([2H])P(=O)(O)[O-].[Al+3] E925470
CCc1ccc(nc1)C(=O)O E925505
CCC(CC)OC1C=C(C[C@H]2[C@@H]1N2)C(=O)OCC E925510
CCCN(CC)CC#CCO E925515
CCC(c1ccccc1)(C(=O)OCC)N E925520
CCc1ccc(nc1)C E925530
CC[C@@H]([C@H](C)OCc1ccccc1)n2c(=O)n(cn2)c3ccc(cc3)N4CCN(CC4)c5ccc(cc5)O E925535
[2H]c1c(c(c(c(c1n2cnn(c2=O)[C@@H](CC)[C@H](C)OCc3ccccc3)[2H])[2H])N4CCN(CC4)c5ccc(cc5)O)[2H] E925537
CCc1ccnc(c1)C#N E925545
[2H]c1c(nc(c(c1C([2H])([2H])C)[2H])C#N)[2H] E925547
CCc1ccc(nc1)CCO E925550
[2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])O E925552
CCc1ccc(nc1)CCOS(=O)(=O)c2ccc(cc2)C E925555
CCc1cc[n+](cc1)[O-] E925560
[2H]c1c([n+](c(c(c1C([2H])([2H])C)[2H])[2H])[O-])[2H] E925562
CCOC(=O)/C=C/c1cccc[n+]1[O-] E925565
CCc1ccc(nc1)CCOc2ccc(cc2)CO E925570
CCOC(=O)NNC(=O)Nc1cccnc1 E925575
CCc1ccc(nc1)CCOc2ccc(cc2)C=O E925580
[2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)C=O E925582
CCc1ccc(nc1)CCOc2ccc(cc2)CCC(=O)OCC E925585
[2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)/C=C\3/C(=O)NC(=O)S3 E925590
[2H]C([2H])(c1ccc(cn1)CC)C([2H])([2H])Oc2ccc(cc2)/C=C\3/C(=O)NC(=O)S3 E925592
CCc1cccnc1N E925595
CCOC(=O)N1CCCCC1 E925600
CCc1c(ncc(n1)CCO)CCO E925605
CC[C@@H]1CNCCN1 E925610
CCOC(=O)CCNc1ccccn1 E925620
CCOC(=O)[C@@H](c1ccccc1)[C@H]2CCCCN2.Cl E925625
CCOC(=O)[C@H](c1ccccc1)[C@@H]2CCCCN2.Cl E925626
CCOC(=O)[C@@H](c1ccccc1)[C@@H]2CCCCN2.Cl E925630
CCOC(=O)[C@H](c1ccccc1)[C@H]2CCCCN2.Cl E925635
CCOC(=O)[C@@H](c1ccccc1)[C@@H]2CCCCN2.Cl E925636
CCOC(=O)/C=C/c1ccccn1 E925670
CCOC(=O)/C=C/c1cccnc1 E925675
CCc1ccc(nc1)CCOc2ccc(cc2)c3cc(ccc3OCCc4ccc(cn4)CC)CC5C(=O)NC(=O)S5 E925740
CCc1ccc(nc1)CCN2C(=O)C(SC2=O)Cc3ccc(cc3)OCCc4ccc(cn4)CC E925750
CCOC(=O)c1ccc[nH]1 E925775
CCOC(=O)/C(=N/Nc1ccc(c(c1)NC=O)OC)/C E925825
[2H]C([2H])([2H])C([2H])([2H])Oc1cccc(c1)O E925912
CC[Se]CCC1C(=O)NC(=O)N1 E925930
CCCCCCCCCCCCCCCCCC(=O)OCC E925950
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC E925952
CCS[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E926100
CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E926150
CCS[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C E926250
CCC(CCCCOC1CCCCO1)C(=O)OC(C)C E926265
CCC(CCCCOC1CCCCO1)CO E926270
CCc1c([nH]c2c1C(=O)CCC2)C E926290
CCc1c(nc2n(c1=O)CCCC2O)C.Cl E926300
CCN1CNC(=NC1)SC E926320
CCS[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCc2ccc(cc2)OC)OCc3ccc(cc3)OC)OCc4ccc(cc4)OC)OCc5ccc(cc5)OC E926335
CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc2ccc(cc2)OC)OCc3ccc(cc3)OC)OCc4ccc(cc4)OC)OCc5ccc(cc5)OC E926385
CCn1c(=O)[nH]nn1 E926420
CCn1cnc2c1c(=O)n(c(=O)n2C)C E926675
CCc1ncc(c(n1)N)C[n+]2csc(c2C)CCO.[Cl-] E926690
CCOC(=O)c1cscn1 E926700
CCOC(=O)COc1ccc(c(c1Cl)Cl)C(=O)c2cccs2 E926740
CCSc1cc(c(cc1OC)/C=C/[N+](=O)[O-])OC E926750
CCSCCn1cc(nc1C)[N+](=O)[O-] E926765
CCOC(=O)C(=S)N E926850
CCOc1nc(=O)c(cn1[C@H]2C[C@H]([C@H](O2)CO)O)C E926925
CCS[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O E926990
CCS[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O E926995
CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCc2ccccc2)OCc3ccccc3)OCc4ccccc4)OCc5ccccc5 E927000
CCNS(=O)(=O)c1ccccc1C.Cc1ccc(cc1)S(=O)(=O)NC E927050
CCOS(=O)(=O)c1ccc(cc1)C E927065
CCc1ccc(cc1Cl)N2CCN(CC2)CCCn3c(=O)n4ccccc4n3 E927100
CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C E927150
CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C E927235
CCSC1[C@H]([C@@H]([C@@H]([C@@H](O1)C)OCc2ccccc2)OCc3ccccc3)OCc4ccccc4 E927500
CCOC(=O)c1c[nH]nc1C(F)(F)F E931250
CC[N+]1=C(C(c2c1ccc(c2)S(=O)(=O)[O-])(C)C)C E931850
CCc1cccc2c1[nH]cc2CCO E931880
CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] E931950
[2H]C([2H])([2H])C([2H])([2H])[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] E931952
CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[I-] E931955
CCc1ccc(nc1)C=C E931970
CCOC(=S)SCCS(=O)(=O)[O-].[K+] E931985
CN1CCC[C@H]1c2cc(cnc2)C#C E932200
C[C@]12CC[C@@H]3[C@H]4CCC(=CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)C#C E932270
CC(C)(C)OC(=O)n1cccc1C#C E932325
C#Cc1c(ncn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C#N E932590
CC(C)[Si](C(C)C)(C(C)C)OC1(CC1)C#C E932600
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2C#C)C#N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C E932620
CCCN(CC)C(CC)C(=O)Nc1c(cccc1C)C.Cl E932700
[2H]c1c(c(c(c(c1[2H])C([2H])([2H])[2H])NC(=O)C(CC)N(CC)CCC)C([2H])([2H])[2H])[2H].Cl E932702
CCNC1=Nc2ccc(cc2C(O1)(C)c3ccccc3)Cl.Cl E932750
[2H]C([2H])([2H])C1(c2cc(ccc2N=C(O1)NCC)Cl)c3ccccc3 E932752
[2H]c1c(c(c(c(c1[2H])[2H])C2(c3cc(ccc3N=C(O2)NCC)Cl)C)[2H])[2H] E932753
CCNCC(c1cccc(c1)O)O.Cl E932950
[2H]C([2H])([2H])C([2H])([2H])NCC(c1cccc(c1)O)O.Cl E932952
CCC(C(=O)N)N1CCCC1=O E932970
CCOC(=O)C(C)(Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)N E932980
CC(Cc1cc(c(c(c1)I)Oc2cc(c(c(c2)I)O)I)I)(C(=O)O)N E932985
CCc1cc2c(s1)-n3c(nnc3CN=C2c4ccccc4Cl)C E933030
[2H]C([2H])([2H])c1nnc2n1-c3c(cc(s3)CC)C(=NC2)c4ccccc4Cl E933032
CCc1cccc2c1[nH]c3c2CCO[C@]3(CC)CC(=O)O E933090
[2H]C([2H])([2H])C[C@]1(c2c(c3cccc(c3[nH]2)CC)CCO1)CC(=O)O E933092
CCc1cccc2c1[nH]c3c2CCO[C@@]3(CC)CC(=O)O E933095
[2H]C([2H])([2H])C[C@@]1(c2c(c3cccc(c3[nH]2)CC)CCO1)CC(=O)O E933097
CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O E933100
[2H]C([2H])([2H])CC1(c2c(c3cccc(c3[nH]2)CC)CCO1)CC(=O)O E933102
CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O E933110
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCOCCO E933120
[2H]C1(C(N(C(C(N1CCOCCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] E933122
c1ccc(c(c1)C(=O)OCCOCCO)Nc2cccc(c2)C(F)(F)F E933135
[2H]c1c(c(c(c(c1[2H])C(=O)OCCOCCO)Nc2cccc(c2)C(F)(F)F)[2H])[2H] E933137
CC(C)(C(=O)OCCOC(=O)c1cccnc1)Oc2ccc(cc2)Cl E933150
Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCO E933200
CCOC(=O)c1cncn1[C@H](C)c2ccccc2 E933300
C[C@H](c1ccccc1)n2cncc2C(=O)O E933310
CCOC(=O)C1(CO1)CCCCCCOc2ccc(cc2)Cl E933500
CCOC(=O)[C@]1(CO1)CCCCCCOc2ccc(cc2)Cl E933505
c1cc(ccc1OCCCCCC[C@@]2(CO2)C(=O)[O-])Cl.[K+] E933508
CCOC(=O)[C@@]1(CO1)CCCCCCOc2ccc(cc2)Cl E933510
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34 E933625
[2H]C#C[C@@]1(CC[C@@H]2[C@@]1(CC(=C)[C@H]3[C@H]2CC(C4=C(C(=O)C(C[C@]34[2H])([2H])[2H])[2H])([2H])[2H])CC)O E933627
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35 E933630
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)OS(=O)(=O)[O-])CCC4=CC(=O)CC[C@H]34.[Na+] E933635
Cc1ccc(cn1)c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C E934100
[2H]C([2H])([2H])S(=O)(=O)c1ccc(cc1)c2cc(cnc2c3ccc(nc3)C)Cl E934102
Cc1ccc(c[n+]1[O-])c2c(cc(cn2)Cl)c3ccc(cc3)S(=O)(=O)C E934115
CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+] E935000
[2H]C([2H])([2H])C(O)(P(=O)(O)O)P(=O)(O)O E935002
CCCC(C)([C@H]1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@H]3Cc6c5c(c(cc6)O)O4)C)OC)O E936500
CCOC(=O)C1(CCN(CC1)CCOCCO)c2ccccc2.Cl E936800
[2H]C1(CC(CC(N1CCOCCO)([2H])[2H])(c2ccccc2)C(=O)OCC)[2H].Cl E936802
Cc1cc(cc(c1Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N E937000
Cc1cc(cc(c1O[13c]2[13c]([13c](nc(n2)Nc3ccc(cc3)C#N)N)Br)C)C#N E937002
[2H]c1c(c(c(c(c1C([2H])([2H])[2H])Oc2c(c(nc(n2)Nc3ccc(cc3)C#N)N)Br)C([2H])([2H])[2H])[2H])C#N E937003
CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/c1c(cc(c(c1C)C)OC)C E938000
[2H]C([2H])([2H])Oc1cc(c(c(c1C)C)/C=C/C(=C/C=C/C(=C/C(=O)OCC)/C)/C)C E938002
CCc1ccc2c(c1)N(c3ccccc3S2)CC(C)CN(C)C E938500
[2H]C([2H])([2H])N(CC(C)CN1c2ccccc2Sc3c1cc(cc3)CC)C([2H])([2H])[2H] E938502
COc1ccc(cc1O)c2cc(=O)c3c(o2)cc(c(c3OC)OC)OC E938850
[2H]C([2H])([2H])Oc1ccc(cc1O)c2cc(=O)c3c(o2)cc(c(c3OC)OC)OC E938852
C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O E939000
C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCO)C)/C)O)OC)C)C)/C)OC E945400
[2H]C([2H])(C([2H])([2H])O[C@@H]1CC[C@H](C[C@H]1OC)C[C@@H](C)[C@@H]2CC(=O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C[C@@H](/C=C/C=C/C=C(/[C@@H](C[C@@H]3CC[C@H]([C@@](O3)(C(=O)C(=O)N4CCCC[C@H]4C(=O)O2)O)C)OC)\C)C)C)OC)O)\C)C)O E945402
CN1c2ccccc2C(=O)N3[C@H]1c4c(c5ccccc5[nH]4)CC3 E945480
CC1C(C(C(C(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)O E947500
CCCCCCOc1ccccc1C(=O)N E952100
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C E957000
[2H]C([2H])([2H])[C@]12C=CC(=O)C=C1C(=C)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C E957002
CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)Cl E960000
c1cc(ccc1[C@@H]2C(C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O E975000
[2H]c1c(c(c(c(c1N2[C@@H](C(C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O)[2H])[2H])F)[2H] E975002
c1cc(ccc1[C@H]2[C@@H](C(=O)N2c3ccc(cc3)F)CC[C@H](c4ccc(cc4)F)O)O E975005
c1cc(ccc1[C@H](CCC2[C@H](N(C2=O)c3ccc(cc3)F)[13c]4[13cH][13cH][13c]([13cH][13cH]4)O)O)F E975007
c1cc(ccc1[C@@H]2C(C(=O)N2c3ccc(cc3)F)CC[C@H](c4ccc(cc4)F)O)O E975010
c1cc(ccc1[C@@H]2[C@@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O E975015
CC(=O)Oc1ccc(cc1)[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@H](c4ccc(cc4)F)OC(=O)C E975020
[2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@H](c3ccc(cc3)F)OC(=O)C)c4ccc(cc4)OC(=O)C)[2H])[2H])F)[2H] E975022
c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O E975030
[2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@@H](c3ccc(cc3)F)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H])[2H])F)[2H] E975032
c1cc(ccc1[C@@H]2[C@H](C(=O)N2c3ccc(cc3)F)CC[C@@H](c4ccc(cc4)F)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O E975035
[2H]c1c(c(c(c(c1N2[C@@H]([C@H](C2=O)CC[C@@H](c3ccc(cc3)F)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)c5ccc(cc5)O)[2H])[2H])F)[2H] E975037
c1ccc(cc1)COc2ccc(cc2)[C@H]([C@@H](CCC(=O)O)C(=O)O)Nc3ccc(cc3)F E975050
c1cc(ccc1[C@H]([C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)O)Nc3ccc(cc3)F)O E975055
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)O[C@@H](CC[C@@H]3[C@H](N(C3=O)c4ccc(cc4)F)c5ccc(cc5)O)c6ccc(cc6)F E975060
c1cc(ccc1[C@@H]2C(C(=O)N2c3ccc(cc3)F)CCC(=O)c4ccc(cc4)F)O E975065
CC(C)(C)[Si](c1ccccc1)(c2ccccc2)Oc3ccc(cc3)[C@@H]4[C@H](C(=O)N4c5ccc(cc5)F)CC[C@@H](c6ccc(cc6)F)O E975070
c1cc(ccc1[C@H]2[C@@H](CC[C@H](O2)c3ccc(cc3)F)C(=O)Nc4ccc(cc4)F)O E975080
[2H]c1c(c(c(c(c1NC(=O)[C@@H]2CC[C@H](O[C@H]2c3ccc(cc3)O)c4ccc(cc4)F)[2H])[2H])F)[2H] E975082
CCCCCCC/C=C\[C@@H](C#CC#C[C@@H](C=C)O)O F101080
CCCCCCC/C=C\CC#CC#CC(C=C)O F101100
C[C@H](CCCC(C(F)(F)F)(C(F)(F)F)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C F101110
CC(=O)OCC(CCn1cnc2c1nc(nc2)N)COC(=O)C F101125
[2H]C([2H])(C(COC(=O)C)COC(=O)C)C([2H])([2H])n1cnc2c1nc(nc2)N F101127
c1c(nc(s1)N=C(N)N)CSCC/C(=N/S(=O)(=O)N)/N F101250
c1[13c](n[13c](s1)N=[13C](N)N)CSCC/C(=N/S(=O)(=O)N)/N F102252
c1c(nc(s1)N=C(N)N)CSCCC(=N)N.Cl F102255
c1c(nc(s1)NC(=N)N)CSCCC2=NS(=O)(=O)N=C(N2)CCSCc3csc(n3)NC(=N)N F102260
[2H]C([2H])([13C](=O)N)C([2H])([2H])SCc1csc(n1)N=C(N)N F102272
c1c(nc(s1)N=C(N)N)CSCCC(=O)O F102280
COC(=O)CCSCc1csc(n1)N=C(N)N F102290
CC(C)c1c(n(n(c1=O)c2ccccc2)C)CN(C)C(C)Cc3ccccc3 F102350
[2H]C([2H])([2H])N(Cc1c(c(=O)n(n1C)c2ccccc2)C(C)C)C(C)Cc3ccccc3 F102352
CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C F102430
CC(=CCC/C(=C/CC/C(=C/CBr)/C)/C)C F102440
CC(=CCC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)C F102470
[2H]C([2H])([2H])/C(=C\COP(=O)(O)OP(=O)(O)O)/CC/C=C(\C)/CCC=C(C)C F102472
CC(=CCC/C(=C/CC/C(=C/CSc1ccccc1C(=O)O)/C)/C)C F102500
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)O)O.[NaH] F103300
COCC(=O)Nc1cc(ccc1N=C(NC(=O)OC)NC(=O)OC)Sc2ccccc2 F227000
Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O F229000
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Oc1ccc(cc1C#N)c2nc(c(s2)C(=O)O)C F229002
Cc1c(sc(n1)c2ccc(c(c2)C#N)OCC(C)C)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O F229030
c1ccc(cc1)C(COC(=O)N)COC(=O)N F231000
[2H]C([2H])(C(c1ccccc1)C([2H])([2H])OC(=O)N)OC(=O)N F231002
CCOC(=O)C1=C(NC(=C([C@@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232365
[2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C([C@@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232367
CCOC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232370
[2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C([C@H]1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232372
CCOC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC)C)C F232375
[2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OCC)C)C F232377
[2H]C([2H])([2H])C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC([2H])([2H])[2H])C)C F232378
CC1=C(C(C(=C(N1)C)C(=O)OC)c2cccc(c2Cl)Cl)C(=O)OC F232385
[2H]C([2H])([2H])OC(=O)C1=C(NC(=C(C1c2cccc(c2Cl)Cl)C(=O)OC([2H])([2H])[2H])C)C F232387
c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)Cc4ccccc4 F245200
CCOP(=O)(NC(C)C)Oc1ccc(c(c1)C)SC F245700
CCOP(=O)(NC(C)C)Oc1ccc(c(c1)C)S(=O)(=O)C F245710
CCOP(=O)(NC(C)C)Oc1ccc(c(c1)C)S(=O)C F245720
COC(=O)Nc1[nH]c2cc(ccc2n1)Sc3ccccc3 F246750
[2H]C([2H])([2H])OC(=O)Nc1[nH]c2cc(ccc2n1)Sc3ccccc3 F246752
COC(=O)Nc1[nH]c2cc(ccc2n1)S(=O)(=O)c3ccccc3 F246770
COC(=O)Nc1[nH]c2cc(ccc2n1)S(=O)c3ccccc3 F246790
[2H]C([2H])([2H])OC(=O)Nc1[nH]c2cc(ccc2n1)S(=O)c3ccccc3 F246792
c1ccc(cc1)c2ccc(cc2)C(=O)CCC(=O)O F247200
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(c(c(c2[2H])[2H])C(=O)CCC(=O)O)[2H])[2H])[2H])[2H] F247202
CCC(c1ccccc1)C(=O)OCCN2CCOC(C2C)c3ccccc3 F247250
[2H]C([2H])(C([2H])([2H])OC(=O)C(CC)c1ccccc1)N2CCOC(C2C)c3ccccc3 F247252
CCNC1C2CCC(C2)C1c3ccccc3.Cl F247270
[2H]C([2H])([2H])C([2H])([2H])NC1C2CCC(C2)C1c3ccccc3.Cl F247272
CC(Cc1ccccc1)N(C)CCNc2nc3c(n2C)c(=O)n(c(=O)n3C)C F247300
[2H]C([2H])([2H])N(CCNc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C(C)Cc3ccccc3 F247302
c1ccc(cc1)c2nc(cc(n2)Cl)Cl F247500
CC(Cc1ccccc1)NCCn2cnc3c2c(=O)n(c(=O)n3C)C.Cl F247545
CCN[C@@H](C)Cc1cccc(c1)C(F)(F)F.Cl F247600
[2H]C([2H])([2H])C([2H])([2H])NC(C)Cc1cccc(c1)C(F)(F)F.Cl F247602
CC1(CCCCC1)C(=O)Nc2ccc(c(c2Cl)Cl)O F247650
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C)C(=O)Nc2ccc(c(c2Cl)Cl)O)([2H])[2H])([2H])[2H])[2H] F247652
CC(C)(C(=O)O)Oc1ccc(cc1)C(c2ccc(cc2)Cl)O F247700
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(c2ccc(cc2)Cl)O F247702
CC(C)(C(=O)O)Oc1ccc(cc1)C(c2ccc(cc2)Cl)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O F247705
CC(C)(C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)Oc2ccc(cc2)C(c3ccc(cc3)Cl)O F247710
[2H]C([2H])([2H])C(C(=O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)(C([2H])([2H])[2H])Oc2ccc(cc2)C(c3ccc(cc3)Cl)O F247712
[2H]C([2H])([2H])OP(=O)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC([2H])([2H])[2H] F247802
Cc1cc(ccc1[N+](=O)[O-])OP(=S)(OC)OC F247850
[2H]C([2H])([2H])OP(=S)(Oc1ccc(c(c1)C)[N+](=O)[O-])OC([2H])([2H])[2H] F247852
CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248640
[2H]C([2H])([2H])C(C(=O)OC(C)C)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248642
CC(C)(C(=O)O)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248650
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248652
CC(C)(C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)Oc2ccc(cc2)C(=O)c3ccc(cc3)Cl F248660
CC(C)(C(=O)O[C@H]1[C@H](C([C@@H](C(O1)C(=O)OCC=C)O)O)O)Oc2ccc(cc2)C(=O)c3ccc(cc3)Cl F248665
CCOC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248670
CC(C)(C(=O)OC)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248675
CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl F248680
c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O F248785
c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O.Br F248790
c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O.Cl F248795
CS(=O)(=O)O.c1cc(ccc1C2CNCCc3c2cc(c(c3Cl)O)O)O F248800
[2H]C1(Cc2c(cc(c(c2Cl)O)O)C(C(N1)([2H])[2H])c3ccc(cc3)O)[2H].CS(=O)(=O)O F248802
CC(c1cccc(c1)Oc2ccccc2)C(=O)O.O F248825
CC(Cc1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O.Br F248850
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O.Br F248852
CC(Cc1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NCC(c3cc(cc(c3)O)O)O F248860
CC(Cc1ccc(cc1)OS(=O)(=O)[O-])NCC(c2cc(cc(c2)O)O)O.[Na+] F248865
Cc1c(c(n(n1)C)Oc2ccccc2)/C=N/OCc3ccc(cc3)C(=O)OC(C)(C)C F248880
C[N+]1(CCCCC1)CCC(c2ccccc2)(c3ccccc3)C(=O)N.[Br-] F249000
C[C@@H]1CN(C[C@@H](O1)C)CC(C)Cc2ccc(cc2)C(C)(C)C F249500
[2H]C([2H])([2H])C(Cc1ccc(cc1)C(C)(C)C)CN2C[C@H](O[C@H](C2)C)C F249502
C[C@@H]1CN(C[C@@H](O1)C)CC(C)Cc2ccc(cc2)C(C)(C)C(=O)O F249510
c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H](C([C@H](O2)CO)O)F)I F335000
c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2[C@@H](C([C@H](O2)CO)O)F)I F335002
c1c(c(=O)[nH]c(=O)n1[C@H]2C([C@H]([C@H](O2)COP(=O)(O)O)O)F)I F335010
c1ccc2c(c1)C(=O)OC23c4ccc(c(c4Oc5c3ccc(c5[As]6SCCS6)O)[As]7SCCS7)O F335200
CN1CCN=C1c2cccc(c2)Oc3c(c(c(c(n3)Oc4cc(ccc4O)C(=N)N)F)N(C)CC(=O)O)F F335500
[2H]C([2H])([2H])N1CCN=C1c2cccc(c2)Oc3c(c(c(c(n3)Oc4cc(ccc4O)C(=N)N)F)N(C)CC(=O)O)F F335502
c1c2c(c(c(c1F)N3C[C@H]4[C@H](C3)OCCN4)C#N)n(cc(c2=O)C(=O)O)C5CC5.Cl F338000
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342000
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C F342002
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C=O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342005
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC[C@@H]5[C@@]3(C=CC(=O)N5)C F342010
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C(=O)O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342015
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)CO)CC[C@@H]4[C@@]3(C=CC(=O)N4)C F342020
CC(Cc1ccccc1)NCCC#N.Cl F249550
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1)NCCC#N.Cl F249552
COC(=O)CCC=C=CC[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COc2ccccc2)O)O)O F249700
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)Nc2ccc(cc2)O)/C)/C F250000
c1ccc(cc1)CCN2CCC3(CC2)CNC(=O)O3.Cl F265000
[2H]c1c(c(c(c(c1[2H])[2H])CCN2CCC3(CC2)CNC(=O)O3)[2H])[2H].Cl F265002
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3 F274990
CCC(=O)N(c1ccccc1)C2CCN(CC2)CCc3ccccc3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O F275000
[2H]c1c(c(c(c(c1[2H])[2H])N(C2CCN(CC2)CCc3ccccc3)C(=O)CC)[2H])[2H] F275005
Cc1cc(ccc1SC)OP(=S)(OC)OC F278000
[2H]C([2H])([2H])OP(=S)(Oc1ccc(c(c1)C)SC)OC([2H])([2H])[2H] F278002
Cc1cc(ccc1SC)OP(=O)(OC)OC F279000
Cc1cc(ccc1S(=O)(=O)C)OP(=O)(OC)OC F279010
Cc1cc(ccc1S(=O)C)OP(=O)(OC)OC F279015
c1ccc(cc1)Sc2ccc(cc2)COC(Cn3ccnc3)c4ccc(cc4Cl)Cl.[N+](=O)(O)[O-] F279250
c1ccc(cc1)S(=O)(=O)c2ccc(cc2)COC(Cn3ccnc3)c4ccc(cc4Cl)Cl.[N+](=O)(O)[O-] F279260
c1ccc(cc1)S(=O)c2ccc(cc2)COC(Cn3ccnc3)c4ccc(cc4Cl)Cl.[N+](=O)(O)[O-] F279265
CC(C)C(c1ccc(cc1)Cl)C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3 F279450
[2H]c1c(c(c(c(c1[2H])[2H])Oc2cccc(c2)C(C#N)OC(=O)C(c3ccc(cc3)Cl)C(C)C)[2H])[2H] F279452
CC(C)(CO)NCC(c1ccccc1)O F285600
[2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])NCC(c1ccccc1)O F285602
c1ccnc(c1)c2nc(c(nn2)c3ccc(o3)S(=O)(=O)[O-])c4ccc(o4)S(=O)(=O)[O-].[Na+].[Na+] F307500
COc1cc(ccc1O)/C=C/C(=O)O F308900
[2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)O F308902
COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O F308910
[2H]C([2H])([2H])Oc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O F308912
COc1cc(ccc1OS(=O)(=O)O)/C=C/C(=O)O F308920
[2H]C([2H])([2H])Oc1cc(ccc1OS(=O)(=O)O)/C=C/C(=O)O F308922
COc1cc(ccc1O)/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O F309000
[2H]C([2H])([2H])Oc1cc(ccc1O)/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O F309002
CC(C)C(=O)Oc1ccc(cc1[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)CO.C(=C/C(=O)O)\C(=O)O F321300
CC(C)C(=O)Oc1ccc(cc1C(CCN(C(C)C)C(C)C)c2ccccc2)CO.C(=C/C(=O)O)\C(=O)O F321301
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2OC(=O)C(C)C)CO)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].C(=C/C(=O)O)\C(=O)O F321302
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(CC(=O)C)O)N)O F321800
CC(C)(c1ccc(cc1)[C@@H](CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322460
CC(C)(c1ccc(cc1)[C@H](CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322465
CC(C)(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322470
CC(C)(c1cccc(c1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)O F322480
[2H]C([2H])([2H])C(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)(C(=O)O)C([2H])([2H])[2H] F322500
CC(C)(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)C(=O)OC F322510
[2H]C([2H])([2H])C(c1ccc(cc1)C(CCCN2CCC(CC2)C(c3ccccc3)(c4ccccc4)O)O)(C(=O)OC)C([2H])([2H])[2H] F322512
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC[C@@H]5[C@@]3(C=CC(=O)N5)C F342025
c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F F342200
c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)C(F)(F)F)N)Cl)C(F)(F)F F342205
c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)SC(F)(F)F)N)Cl)C(F)(F)F F342210
C1C[C@@H](C[C@@H]1N)F.C(=O)(C(F)(F)F)O F588865
C1[C@@H](CC[C@H](C1)F)C(=O)O F588870
c1c(c(nc(=O)n1[C@H]2C([C@H]([C@H](O2)CO)O)O)N)F F588875
c1c(c(nc(=O)[nH]1)N)F F589000
c1c(c([15n][13c](=O)[15nH]1)N)F F589002
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)F)F)OC(=O)C)OC(=O)C F590250
c1cn(c(=O)[nH]c1=O)[C@H]2[C@H](C([C@H](O2)CO)O)F F590275
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](C(O1)F)F)OC(=O)C)OC(=O)C F590300
CC(CS(=O)(=O)c1ccccc1F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O F590850
c1cc2c(nc1)C(c3ccc(cc3CC2)Cl)(C4CCNCC4)F F590900
c1c(c(nc(n1)Cl)Cl)F F590960
c1cc2c(cc1F)CCC(O2)C=O F590970
[2H]C([2H])(C(C1CCc2cc(ccc2O1)F)O)NCc3ccccc3 F590977
c1cc2c(cc1F)CCC(O2)CO F590980
c1cc2c(cc1F)CCC(O2)C(=O)O F590990
CCOC(=O)C1CCc2cc(ccc2O1)F F590995
COC(=O)C1CC(=O)c2cc(ccc2O1)F F591000
c1cc2c(cc1F)C(=O)CC(O2)C(=O)O F591005
[2H]C1(C(O1)C2CCc3cc(ccc3O2)F)[2H] F591012
COC(=O)C1CCc2cc(ccc2O1)F F591015
c1cc2c(cc1F)CCC(O2)C(=O)N3CCCCC3 F591020
C1C(C(=O)NC(=O)N1)F F591025
C1C(C(=O)[15NH][13C](=O)[15NH]1)F F591027
c1cc(c2c(c1NCCNCCO)C(=O)c3c(ccc(c3C2=O)O)O)F F591085
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/CO F595460
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/C=O F595470
CC(C)c1c(c(c(n1CCC=O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4 F595480
CS(=O)(=O)c1ccc(cc1)F F595500
c1c(cc(c(c1Cl)n2c(c(c(n2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F F342215
CC1(C(=C(C(=O)O1)OCC2CC2)c3ccc(cc3)S(=O)(=O)C)C F356000
[2H]C1(C(C1([2H])[2H])COC2=C(C(OC2=O)(C)C)c3ccc(cc3)S(=O)(=O)C)[2H] F356002
C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC F370000
[2H][13C](=CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)C)OC)OC)C)\C)[2H] F370002
C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](/C(=C/[C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C)[C@@H]4CC[C@H]([C@H](C4)OC)O)O)C)OC)OC F370020
Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@H]([C@H]([C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O.[Na+].[Na+] F371500
Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@H]([C@H]([C@H](COP(=O)([O-])OP(=O)([O-])O[13CH2][13C@@H]4[13C@H]([13C@H]([13C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O.[Na+].[Na+] F371502
CN1CC[C@@H]([C@@H](C1)O)c2c(cc(c3c2oc(cc3=O)c4ccccc4Cl)O)O.Cl F373000
Cc1c(=O)c2cccc(c2oc1c3ccccc3)C(=O)OCCN4CCCCC4.Cl F373500
[2H]C([2H])(C([2H])([2H])OC(=O)c1cccc2c1oc(c(c2=O)C)c3ccccc3)N4CCCCC4.Cl F373502
CCN1CCC[C@H]1CNC(=O)c2cc(cc(c2OC)OC)Br.Br F375000
c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@H]2CCCCN2)OCC(F)(F)F F389990
c1cc(c(cc1OCC(F)(F)F)C(=O)NC[C@@H]2CCCCN2)OCC(F)(F)F F389995
c1cc(c(cc1OCC(F)(F)F)C(=O)NCC2CCCCN2)OCC(F)(F)F F390000
[2H]c1c(c(c(c(c1OCC(F)(F)F)[2H])C(=O)NCC2CCCCN2)OCC(F)(F)F)[2H] F390002
CN1CCN(CC1)c2c(cc3c(c2F)n(cc(c3=O)C(=O)O)CCF)F F401250
c1ccc2c(c1)CC(CC2c3c(c4ccccc4oc3=O)O)c5ccc(cc5)OCc6ccc(cc6)C(F)(F)F F401500
c1ccc(c(c1)C(=O)OCC(CO)O)Nc2ccnc3c2cccc3C(F)(F)F F401700
[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)c1ccccc1Nc2ccnc3c2cccc3C(F)(F)F)O)O F401702
CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSc3nnnn3CCO)C(=O)O)NC(=O)CSC(F)F F401850
c1ccc2c(c1)C(=O)N(C2=O)SC(Cl)(Cl)Cl F402000
[2H]c1c(c(c2c(c1[2H])C(=O)N(C2=O)SC(Cl)(Cl)Cl)[2H])[2H] F402002
CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)NC(=O)C(Cl)Cl)O F405750
[2H][C@]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)NC(=O)C(Cl)Cl F405752
[2H][C@@]([C@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)NC(=O)C(Cl)Cl F405753
CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CF)N)O.Cl F405770
CS(=O)(=O)c1ccc(cc1)[C@@H]([C@H](CF)N)O.Cl F405771
[2H][C@]([C@@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)N F405772
[2H][C@@]([C@H](c1ccc(cc1)S(=O)(=O)C)O)(C([2H])([2H])F)N F405773
CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CCl)NC(=O)C(Cl)Cl)O F405775
CS(=O)(=O)c1ccc(cc1)[C@H]([C@@H](CN[C@@H](CF)[C@H](c2ccc(cc2)S(=O)(=O)C)O)NC(=O)C(Cl)Cl)O F405780
CC(C)c1cccc(c1)C(C)CC=O F405820
C[C@H](CC=O)c1cccc(c1)C(C)C F405825
C[C@@H](CC=O)c1cccc(c1)C(C)C F405830
c1ccc(c(c1)C(=O)OCCN2CCCC2)Nc3ccnc4c3ccc(c4)C(F)(F)F F405850
[2H]C([2H])(C([2H])([2H])OC(=O)c1ccccc1Nc2ccnc3c2ccc(c3)C(F)(F)F)N4CCCC4 F405852
c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)F F405870
c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2C[C@H]([C@H](O2)CO)O)F F405872
COc1ccccc1N2CCN(CC2)CCCC(=O)c3ccc(cc3)F F406800
[2H]c1c(c(c(c(c1C(=O)CCCN2CCN(CC2)c3ccccc3OC)[2H])[2H])F)[2H] F406802
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@]4([C@H]3CCC5=CC(=O)C=C[C@@]54C)F)O)C)C(=O)COC(=O)C F407400
c1c(cnc(c1Cl)Nc2c(cc(c(c2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F F407450
CC(C)OC(=O)c1cc(c(cc1Cl)F)c2c(c(n(n2)C)C(F)(F)F)Br F407500
[2H]C([2H])([2H])n1c(c(c(n1)c2cc(c(cc2F)Cl)C(=O)OC(C)C)Br)C(F)(F)F F407502
c1cc(c(c(c1)F)C(=O)NC(=O)Nc2ccc(c(c2)Oc3c(cc(cn3)C(F)(F)F)Cl)Cl)F F410300
COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccc(cc3)F F418500
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)Cl)Cl F418900
Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)NCC3N[C@H](C(S3)(C)C)C(=O)O F419180
Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)N[C@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)O F419190
Cc1c(c(no1)c2c(cccc2Cl)F)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-].[Na+] F419200
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O F421000
[2H]C([2H])(C(c1ccc(cc1F)F)(C([2H])([2H])n2cncn2)O)n3cncn3 F421002
c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O F421015
c1nc2c(nc(nc2n1[C@H]3[C@@H](C([C@H](O3)CO)O)O)F)N F425000
c1[15n][13c]2c(nc(n[13c]2n1[C@H]3[C@@H](C([C@H](O3)CO)O)O)F)N F425002
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N F427000
c1cc(c2c(c1)OC(O2)(F)F)[13c]3c[nH]c[13c]3[13C]#N F427002
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)F F428100
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O F428101
[2H]C1=C2CC[C@H]3[C@@H]4CC[C@@]([C@]4(C[C@@H]([C@@]3([C@]2(CC(C1=O)([2H])[2H])C)F)O)C)(C(=O)C([2H])([2H])O)O F428102
c1c(sc(n1)S(=O)(=O)CCC(=C(F)F)F)Cl F432500
c1ccc(c(c1)C(=O)O)Nc2cccc(c2)C(F)(F)F F435000
[2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2cccc(c2)C(F)(F)F)[2H])[2H] F435002
c1ccc2c(c1)C(=O)C(C2=O)c3ccc(cc3)F F436000
[2H]c1c(c(c(c(c1C2C(=O)c3ccccc3C2=O)[2H])[2H])F)[2H] F436002
CC1CCc2cc(cc3c2n1cc(c3=O)C(=O)O)F F445000
CC1CCc2cc(cc3c2n1c[13c]([13c]3=O)[13C](=O)O)F F445002
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F F455000
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)F F455002
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)F)C)F F455005
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F F455015
C[C@@H]\1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2(/C1=C(/C=O)\O)C)O)F)C)F F455020
Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc3c(cccc3F)F F455100
c1ccc(cc1)/C=C/CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F F455200
Cc1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O F455400
[2H]C([2H])([2H])c1c(cccc1Nc2c(cccn2)C(=O)O)C(F)(F)F F455402
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O F455800
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(O[13C](O4)([13CH3])[13CH3])C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@@]53C)F)F)O F455802
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C F455805
c1ccc-2c(c1)Cc3c2cccc3 F462000
c1ccc-2c(c1)C[13c]3[13c]2[13cH][13cH][13cH][13cH]3 F462002
c1ccc-2c(c1)Cc3c2cccc3O F462450
c1ccc2c(c1)-c3ccc(cc3C2=O)C(=O)O F462500
CCCCCCCCCCN(CC=O)C(=O)OCC1c2ccccc2-c3c1cccc3 F472420
C[C@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)CO)O)NC(=O)OCC6c7ccccc7-c8c6cccc8)O F472430
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3OC(=O)c5ccccc5)C(=O)c6cccc(c6C4=O)OC)OC(=O)c7ccccc7)(C(=O)COC(=O)c8ccccc8)O)NC(=O)OCC9c1ccccc1-c1c9cccc1)OC(=O)c1ccccc1 F472435
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)OC(=O)C)OC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C F472500
c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485250
c1cc2c(cc1C(=O)NCCCCCC(=O)NCC#Cc3cn(c4c3c(ncn4)N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)OC26c7ccc(cc7Oc8c6ccc(c8)O)O F485280
c1cc2c(cc1N)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485300
c1cc2c(cc1N)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O F485325
c1cc2c(cc1NC(=O)/C=C\C(=O)O)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485335
c1cc2c(cc1NC(=S)NCCCCCN)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485450
c1cc2c(cc1C(=O)NCCCCCC(=O)ON3C(=O)CCC3=O)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O F485470
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=S)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O)OC(=O)CCCCCCCCCCCCCCC F485500
c1cc2c(cc1N=C=S)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F485700
c1cc2c(cc1N=C=S)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O F485705
c1cc2c(cc1N3C(=O)C=CC3=O)C(=O)OC24c5ccc(cc5Oc6c4ccc(c6)O)O F489500
c1cc2c(cc1N3C(=O)C=CC3=O)C4(c5ccc(cc5Oc6c4ccc(c6)O)O)OC2=O F489530
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)OC(=O)C F489650
C1[C@@H]2[C@H](C3C1C[C@@H]4C(C3)[C@]5(C(=C([C@@]4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C([C@@]2(C6(Cl)Cl)Cl)Cl)Cl)Cl F500000
C1[C@@H]2[C@H](C3C1C4CC3C5[C@@H]4[C@@]6(C(=C([C@]5(C6(Cl)Cl)Cl)Cl)Cl)Cl)C7(C(=C([C@@]2(C7(Cl)Cl)Cl)Cl)Cl)Cl F500005
C[C@]12CCCCC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)F)C F500300
C(=C/C(=O)O)\C(=O)O F500380
[13CH](=[13CH]/[13C](=O)O)\[13C](=O)O F500382
CCOC(=O)/C=C/C(=O)O F500385
CCOC(=O)/C=C/C(=O)[O-] F500386
COC(=O)/C=C/C(=O)O F500390
[2H]C([2H])([2H])OC(=O)/C=C/C(=O)O F500392
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F F500450
C#CCN1c2cc(c(cc2OCC1=O)F)N3C(=O)C4=C(C3=O)CCCC4 F500470
[13CH]#[13C][13CH2]N1c2cc(c(cc2OCC1=O)F)N3C(=O)C4=C(C3=O)CCCC4 F500472
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O F500485
CCCCOC(=O)C(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C F500495
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F F500500
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)CO)C)O)C)F F500502
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@H]1C(=O)COC(=O)C)C)O)C)F F500505
CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C F500510
c1cc2c(cc1NC(=O)CCS)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F500600
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)[N+](=O)[O-] F500700
[2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccccc3F)[N+](=O)[O-] F500702
CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl F500800
[2H]C([2H])([2H])C([2H])([2H])N(CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)Cl)C([2H])([2H])C([2H])([2H])[2H] F500802
CS(=O)(=O)SCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F510000
C[N+](C)(C)C(CSS(=O)(=O)C)C(=O)Nc1ccc(c(c1)C(=O)O)c2c3ccc(cc3oc-4cc(=O)ccc24)O.[Br-] F510500
C[N+](C)(C)CC(CC(=O)[O-])OC(=S)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O F525000
C[C@@H]1C2[C@@H](CC(CN2CCNC(=S)Nc3ccc(c(c3)C(=O)O)c4c5ccc(cc5oc-6cc(=O)ccc46)O)C)OC17CCC8C9CC=C1C[C@H](CCC1(C9CC8=C7C)C)O F530000
c1cc(ccc1c2ccc(=N)n(n2)CCCC(=O)O)NC(=S)Nc3ccc(c(c3)C(=O)O)c4c5ccc(cc5oc-6cc(=O)ccc46)O.[Br-] F537500
c1cc(c(nc1)F)OC[C@@H]2CCN2 F575000
CC(=O)N/C(=C\c1ccc(cc1)F)/C(=O)O F587000
c1[nH]c2c(nc(nc2n1)F)N F587200
c1[nH][13c]2c(nc(n[13c]2[15n]1)F)N F587202
C(C(C(=O)O)F)N F587350
[13CH2]([13CH]([13C](=O)O)F)N F587352
CC(Cc1ccc(cc1)F)N.Cl F587600
CC(Cc1ccccc1F)N.Cl F587610
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccccc1F)N.Cl F587612
c1cc(ccc1N)F F587650
COc1ccc(cc1)F F587680
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3([C@H](C=CC4)F)C)C F587700
c1cc(c(cc1F)C(=O)O)N F587750
c1cc(c(cc1F)N)C(=O)O F587755
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccccc2F)c3ccccc3)C(=O)Nc4ccccc4.[Na+] F587900
c1c[nH]c2c1c(ccn2)F F588000
C1C(CN1)F.Cl F588150
c1cc(ccc1C(=N)N)F F588275
B(F)(F)F.c1cc(ccc1[N+]#N)F.[F-] F588325
Cc1c(c(=O)n2c(n1)CCC(C2)OC)CCN3CCC(CC3)c4c5ccc(cc5on4)F F588350
c1ccc(c(c1)C(=O)O)F F588380
c1cc(cc(c1)F)C(=O)O F588381
[2H]c1c(c(c(c(c1[2H])C(=O)O)F)[2H])[2H] F588382
COC(=O)c1cccc(c1)F F588385
c1ccc(c(c1)C#N)F F588390
c1cc(cc(c1)F)C(F)(F)F F588400
Cc1c(c(=O)n2c(n1)CCCC2)CC[N+]3(CCC(CC3)c4c5ccc(cc5on4)F)CCc6c(nc7n(c6=O)CCCC7)C F588410
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CCC24C5(OCCO5)OCO4)CCC6=CC(=O)C=C[C@@]63C)F)O F588430
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CCC45C6(OCCO6)OCO5)C)O)F)C F588432
c1cc2c(c(c1)F)non2 F588450
c1cc(ccc1C(=O)c2ccc(cc2C(=O)O)C(=O)O)F F588465
c1cc(ccc1C(=O)C2CCNCC2)F.Cl F588470
c1ccc(c(c1)C(=O)CC#N)F F588475
c1cc(ccc1CNc2ccc(c(c2)N)N)F F588476
c1ccc(cc1)c2ccc(cc2F)CC(=O)O F588478
CCC(=O)N(c1ccc(cc1)F)C2CCN(CC2)CCc3ccccc3 F588480
[2H]C([2H])([2H])CC(=O)N(c1ccc(cc1)F)C2CCN(CC2)CCc3ccccc3 F588482
c1ccc(c(c1)C(=O)c2cc(ccc2NC(=O)CBr)Cl)F F588485
c1ccc(c(c1)C(=O)c2cc(ccc2N[13C](=O)CBr)Cl)F F588487
c1cc(ccc1[C@@H](C(=O)O)N)F F588490
c1cc(ccc1C(=O)CCCC(=O)O)F F588495
COC(=O)c1c(c2ccccc2nc1C3CC3)c4ccc(cc4)F F588500
c1cc(ccc1CN)F F588510
c1cc(ccc1C=O)F F588515
CCCCn1c2c(c(=O)n(c1=O)Cc3ccccc3F)[nH]c(n2)Cc4ccc(cc4)NC(=O)C F588520
COC.COc1ccc(cc1)CO[C@H]2[C@@H]3[C@H](O[C@@H]([C@@H]2OCc4ccc(cc4)OC)F)OC(O3)c5ccccc5 F588525
c1ccc(c(c1)C(=O)Cl)F F588575
c1cc(cc(c1)F)CBr F588605
c1cc(ccc1CBr)F F588610
c1cc(ccc1/C=C\2/C(=O)NC(=O)S2)F F588650
c1cc(ccc1CC2C(=O)NC(=O)S2)F F588680
c1ccc(cc1)c2ccccc2F F588750
CC(C(=O)c1ccc(cc1)F)NC(C)(C)C F588800
C(CCF)CO F588810
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccc(cc3)F)C(=O)OC F588840
C1C(CC1F)N.Cl F588850
C1C[C@H]([C@@H](C1)F)N F588855
C1C[C@H]([C@H](C1)F)N F588860
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1[C@H](C(=O)O)O)C)O)F)C F591095
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1[C@@H](C(=O)O)O)C)O)F)C F591100
Cc1cc(cc(c1F)C)N F591200
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)n2cc(c(=O)[nH]c2=O)F F591350
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](CS1)[15n]2cc(c(=O)[15nH][13c]2=O)F F591352
CC1(CC(C(N1O)(C)C)Nc2cc(c(cc2[N+](=O)[O-])[N+](=O)[O-])F)C F591500
C1CCC2(CC1)OC=C(C(=O)O2)F F591520
c1c(c(cc(c1O)O)F)C[C@@H](C(=O)O)N.Br F591546
c1c(c(cc(c1O)O)F)CC(C(=O)O)N.Br F591550
c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)CCF F591565
CC(C(=O)c1ccccc1F)NC.Cl F591570
[2H]C([2H])([2H])NC(C)C(=O)c1ccccc1F.Cl F591572
CC(C(=O)c1cccc(c1)F)NC.Cl F591575
[2H]C([2H])([2H])NC(C)C(=O)c1cccc(c1)F.Cl F591577
CC(C(=O)c1ccc(cc1)F)NC.Cl F591580
[2H]C([2H])([2H])NC(C)C(=O)c1ccc(cc1)F.Cl F591582
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)(C)F)C)O)(C)O F591585
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4N5CCC(CC5)c6c7ccc(cc7on6)F)F F591590
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)/C(=N\O)/c4ccc(cc4N5CCC(CC5)c6c7ccc(cc7on6)F)F F591595
c1cc(ccc1C=O)c2ccc(cc2)F F591600
CC(=O)N1CCC(CC1)C(=O)c2cc(ccc2O)F F591660
CC(C(=O)c1ccc(cc1)F)NC(C)(C)CO F591700
C1(C(NC(=O)NC1=O)O)F F591740
COc1ncc(c(n1)O)F F591775
c1c(c(=O)[nH]c(=O)n1[C@@H]2CS[C@@H](O2)CO)F F591850
c1c(c(=O)[15nH][13c](=O)[15n]1[C@@H]2CS[C@@H](O2)CO)F F591852
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4F)O F591870
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)C(=O)c4ccc(cc4O)F F591875
c1cc(ccc1C(C(C(=O)O)N)O)F F591880
Cc1c(c(=O)n2c(n1)CCCC2)CCN3CCC(CC3)/C(=N\O)/c4ccc(cc4O)F F591890
c1ccc(cc1)P(=CC(=O)c2cc(ccc2O)F)(c3ccccc3)c4ccccc4 F591900
CC(C)(C)OC(=O)N1CCC(C(C1)F)O F591910
c1cc(c(nc1)F)O F591920
c1c(cncc1F)O F591925
c1cc(c(cc1F)O)C(=O)C2CCNCC2.Br F591930
c1cc2c(cc1F)c(n[nH]2)C(=O)[O-].[Na+] F591940
c1c(nc[nH]1)F F591950
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)O F591960
Cc1cc(c(nc1)F)I F591970
c1cncc(c1I)F F591975
c1cc2c(cc1F)C(=O)C(=O)N2 F592000
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F F592050
C(CC(C(=O)O)N)C(CN)F.Cl F592100
C(=O)C(C(=O)O)F F592600
C(C1[C@H]([C@H](C([C@](O1)(CF)O)O)O)O)O F593000
CC(Cc1cccc(c1)F)NC.Cl F593100
[2H]C([2H])([2H])NC(C)Cc1cccc(c1)F.Cl F593102
CC(Cc1ccc(cc1)F)NC.Cl F593105
[2H]C([2H])([2H])NC(C)Cc1ccc(cc1)F.Cl F593107
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O F593145
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)OC(=O)C F593150
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=CC(=O)C=C4)C)F)OC(=O)C)C)(C(=O)C)OC(=O)C F593160
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC=C2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C F593165
CC1=C[C@H]2[C@@H]3CC[C@@]([C@]3(CC=C2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C F593170
COc1cc2c(c(c1N3C[C@@H]4CCCN[C@@H]4C3)F)n(cc(c2=O)C(=O)O)C5CC5 F593300
CNc1ccccc1F F593500
Cc1ccc(c(c1)F)c2ccccc2 F593625
CS(=O)(=O)c1ccc(cc1)[C@@H]2[C@H](N=C(O2)c3ccccc3)CF F593640
[2H][C@]1([C@H](OC(=N1)c2ccccc2)c3ccc(cc3)S(=O)(=O)C)C([2H])([2H])F F593642
C.c1c([nH]cn1)C[C@@](CF)(C(=O)O)N F593660
c1cc(c2c(c1)[nH]cc2CC(=O)O)CF F593680
CC(C)C(=O)C(C(c1ccccc1)C(=O)c2ccc(cc2)F)C(=O)Nc3ccccc3 F593700
[2H]c1c(c(c(c(c1[2H])[2H])C(C(C(=O)C(C)C)C(=O)Nc2ccccc2)C(=O)c3ccc(cc3)F)[2H])[2H] F593702
B(c1ccc(cc1F)C)(O)O F593750
CC(C)(CO)F F593755
c1ccc2c(c1)cccc2F F593760
c1cc(c(cc1[N+](=O)[O-])C(=O)O)F F593775
c1cc(c(cc1C(=O)O)[N+](=O)[O-])F F593780
CC1CCc2cc(ccc2N1)F F593800
c1cc(c(cc1S(=O)(=O)N)[N+](=O)[O-])F F594450
c1cc(c(cc1C#N)[N+](=O)[O-])F F594500
c1cc(c(cc1F)C(F)(F)F)[N+](=O)[O-] F594600
c1cc(c2c(c1[N+](=O)[O-])non2)F F594700
B(c1cccc(c1F)[N+](=O)[O-])(O)O F594850
CC(=O)NC[C@@H](CNc1ccc(c(c1)F)N2CCOCC2)O F594950
[2H]C1(C(OC(C(N1c2ccc(cc2F)NC[C@H](CNC(=O)C)O)([2H])[2H])([2H])[2H])([2H])[2H])[2H] F594952
CC(=O)NCC/C=N/c1ccc(c(c1)F)N2CCOCC2 F594960
c1(c([nH]c(=O)[nH]c1=O)C(=O)O)F F595000
c1cc2c(cc1F)CC(=O)N2 F595140
c1cc2c(cc1F)CC[C@@H](O2)[C@H]3CO3 F595145
c1cc2c(cc1F)CC[C@H](O2)[C@H]3CO3 F595146
Cc1c([nH]c(c1C(=O)O)C)/C=C\2/c3cc(ccc3NC2=O)F F595150
c1cc(ccc1C(=O)C=O)F F595155
CCCCCCCCCCCC(=O)NCCc1cccc(c1)F F595160
Cc1c(c(=O)n2c(n1)C(CCC2)O)CCN3CCC(CC3)c4c5cc(ccc5on4)F F595170
[2H]C([2H])(c1c(nc2n(c1=O)CCCC2O)C)C([2H])([2H])N3CCC(CC3)c4c5cc(ccc5on4)F F595172
c1ccc(c(c1)C(=O)CCl)F F595175
c1cc(cc(c1)F)C(=O)CCl F595180
c1ccc(c(c1)OCCN)F F595185
CC(=O)Cc1ccccc1F F595190
c1ccc(cc1)Oc2cc(ccc2F)[C@@H](C#N)O F595200
CC(=O)Cc1ccc(cc1)F F595205
c1cc(ccc1c2cc(=O)[nH]c3c2CCCCCC3)F F595210
CC1(CCC(NCC1)c2cccc(c2)F)C.Cl F595215
CN1CCC(=CC1)c2ccc(cc2)F.Cl F595220
CC1CCC(NCC1)c2ccc(cc2)F.Cl F595225
Cc1c(nc(nc1C(C)C)N(C)S(=O)(=O)C)c2ccc(cc2)F F595230
[2H]C([2H])([2H])c1c(nc(nc1C(C)C)N(C)S(=O)(=O)C)c2ccc(cc2)F F595232
c1cc(ccc1C2=CCNCC2)F.Cl F595235
c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Cl)F F595240
c1ccc(c(c1)C2=NC[13C](=O)Nc3c2cc(cc3)Cl)F F595242
[2H]c1c(c(c(c(c1[2H])C2=NCC(=O)Nc3c2cc(cc3)Cl)F)[2H])[2H] F595243
CCOC(=O)c1c[nH]c2cc(c(cc2c1=O)OC)F F595250
Cc1ccc(cc1C(=O)O)F F595260
c1ccc2c(c1)c(ccc2F)O F595270
c1ccc2c(c1)c(ccc2F)C=O F595275
c1cc(ccc1C2c3ccc(cc3C(=O)O2)C#N)F F595280
c1cc(ccc1C2c3ccc(cc3C(=O)O2)C(=O)N)F F595290
c1cc(ccc1C2c3ccc(cc3C(=O)O2)C(=O)O)F F595300
c1cc(cc(c1)F)C2CNC2 F595305
c1cc(ccc1C2CNC2)F F595310
Cc1ccc(c(c1)C)C(c2ccc(cc2)F)O F595320
c1cc(ccc1CCBr)F F595340
[2H]C([2H])(c1ccc(cc1)F)C([2H])([2H])Br F595342
[2H]C([2H])(c1ccc(cc1)F)C([2H])([2H])O F595347
CC(C)c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)C=O F595350
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C=O F595365
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)CO F595380
CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C F595400
c1ccc(cc1)COc2ccc(cc2)[C@@H](C3(CCC(=O)CC3)C(=O)Nc4ccc(cc4)F)O F595410
c1ccc(cc1)COc2ccc(cc2)[C@H]3N(C(=O)[C@@]34CCC(=O)CC4)c5ccc(cc5)F F595420
CN1CCC(CC1)C(=O)c2ccccc2F.Cl F595450
[2H]c1c(c(c(c(c1F)[2H])[2H])S(=O)(=O)C)[2H] F595502
[2H]c1c(c(c(c(c1OCC(=O)O)[2H])[2H])F)[2H] F595512
[2H]c1c(c(c(c(c1OCC(=O)OCC)[2H])[2H])F)[2H] F595522
[2H]c1c(c(c(c(c1OCC(C#C)OC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])[2H])[2H])F)[2H] F595532
[2H]c1c(c(c(c(c1OCC(=O)N(C)OC)[2H])[2H])F)[2H] F595542
[2H]c1c(c(c(c(c1OCC(=O)/C=C/N(C)OC)[2H])[2H])F)[2H] F595552
CC(c1cccc(c1)F)N F595560
c1cc(ccc1CNc2ccc3c(n2)[nH]c(=O)[nH]3)F F595570
[2H]c1c(c(c(c(c1CNc2ccc3c(n2)[nH]c(=O)[nH]3)[2H])[2H])F)[2H] F595572
CCC(=O)c1ccccc1F F595595
CCC(=O)c1cccc(c1)F F595600
c1cc2c(cc1F)c(c[nH]2)CC(C(=O)O)N F595700
C#Cc1ccc(cc1)F F595705
[2H]c1c(c(c(c(c1[2H])[2H])C(CCNC)Oc2ccc(cc2)C(F)(F)F)[2H])[2H].Cl F597102
CN(CCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] F597105
CN(CCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F)C(=O)CCC(=O)O F597110
c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCBr)/c4cc(ccc4S2)C(F)(F)F F597950
c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCBr)/c4cc(ccc4S2)C(F)(F)F F597960
c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F F597980
c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F F597981
[2H]C([2H])(C([2H])([2H])O)N1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)C(F)(F)F F597982
C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O F693400
CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O.C(=C/C(=O)O)\C(=O)O F693401
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O F693402
C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O F693410
*C(C1CCC([C@H](O1)O[C@H]2[C@@H](C([C@@H](CC2N)N)O[C@@H]3[C@@H](C([C@@](CO3)(C)O)NC)O)O)N)N* G360602
CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C.[Cl-] G362500
[2H]C([2H])([2H])[N+](=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1)C([2H])([2H])[2H].[Cl-] G362502
C(CC(=O)N)[C@@H](C(=O)O)N G597000
C(CC(=O)[15NH2])[C@@H](C(=O)O)N G597002
C(C[13C](=O)N)[C@@H](C(=O)O)N G597003
C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N G597100
C[C@@H](c1ccc2c(c1)NCCO2)NC(=O)/C=C/c3ccccc3F F595708
c1cc(ccc1C2c3ccc(cc3CO2)C#N)F F595710
[2H]C([2H])([2H])C(c1c(c(nc(n1)N(C)S(=O)(=O)C)c2ccc(cc2)F)C=O)C([2H])([2H])[2H] F595712
c1ccc(cc1)C2COC(=O)N2C(=O)CCCC(c3ccc(cc3)F)O F595713
CC(C)c1c(c(nc(n1)SC)c2ccc(cc2)F)CO F595714
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5O F595715
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccccc5O)[2H])[2H] F595716
CC(C)c1c(c(c(n1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)O F595717
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@@H](OC(O4)(C)C)CC(=O)OC(C)(C)C)C(C)C)C(=O)Nc5ccc(cc5)O)[2H])[2H] F595718
CC(C)c1c(c(nc(n1)S(=O)(=O)C)c2ccc(cc2)F)CO F595719
[2H]c1c(c(c(c(c1/N=C/c2ccc(cc2)O)[2H])[2H])F)[2H] F595722
CC(=O)NC(CSc1ccc(cc1)F)C(=O)O F595725
[2H]C([2H])([2H])C(c1c(c(nc(n1)SC)c2ccc(cc2)F)C(=O)OCC)C([2H])([2H])[2H] F595732
CC(C)C(=O)C(C(c1ccccc1)C(=O)c2ccc(cc2)F)C(=O)Nc3ccccc3OCc4ccccc4 F595735
[2H]c1c(c(c(c(c1[2H])[2H])C(C(C(=O)C(C)C)C(=O)Nc2ccccc2OCc3ccccc3)C(=O)c4ccc(cc4)F)[2H])[2H] F595736
CC(C)C(=O)C(C(c1ccccc1)C(=O)c2ccc(cc2)F)C(=O)Nc3ccc(cc3)OCc4ccccc4 F595737
[2H]c1c(c(c(c(c1[2H])[2H])C(C(C(=O)C(C)C)C(=O)Nc2ccc(cc2)OCc3ccccc3)C(=O)c4ccc(cc4)F)[2H])[2H] F595738
COc1cc(ccc1O)OC[C@@H]2CNCC[C@H]2c3ccc(cc3)F F595740
c1ccc(cc1)CC(CF)N F595745
CSc1ccc(cc1)c2[nH]c(c(n2)c3ccncc3)c4ccc(cc4)F F595750
c1cc(ccc1CCOc2nc(c3c(n2)n(cn3)[C@H]4[C@H](C([C@H](O4)CO)O)O)N)F F595755
CN1CC[C@H]([C@@H](C1)COc2ccc(c(c2)OC)OCc3ccccc3)c4ccc(cc4)F F595765
Cc1cc2c(nc(=O)[nH]c2s1)c3ccccc3F F595770
c1cc(ccc1Nc2c3c([nH]cn3)ncn2)F F595775
CC1=N/C(=C/c2ccc(cc2)F)/C(=O)O1 F595785
c1ccc(c(c1)CC2CCCCNC2)F F595790
c1cc(ccc1N2CCNCC2)F F595795
COc1ccc(cc1O)OC[C@@H]2CNCC[C@H]2c3ccc(cc3)F F595800
c1ccn(c(=O)c1)c2ccc(cc2)F F595810
c1cc(ccc1C(=O)C(=O)c2ccncc2)F F595815
c1cc(sc1)C(=O)c2ccc(cc2)F F595820
c1ccc(c(c1)c2[nH]nnn2)F.Cl F595825
c1ccc(c(c1)c2[n-]nnn2)F.[Na+] F595826
c1cc2c(cc1F)onc2C3CCNCC3 F595830
c1cc2c(cc1F)c(no2)C3CCNCC3.Cl F595835
CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C(=O)COC(=O)C F595840
B(c1cnccc1F)(O)O F595845
c1cc(cnc1)/C=C(/C(=O)O)\F F595850
C[C@H](c1c(cccn1)F)N.Cl F595860
[2H]C([2H])([2H])[C@H](c1c(cccn1)F)N.Cl F595862
C[C@@H](c1c(cccn1)F)N.Cl F595865
[2H]C([2H])([2H])[C@@H](c1c(cccn1)F)N.Cl F595867
CC(=O)Oc1cc2c(s1)CCN(C2)C(c3cccc(c3)F)C(=O)C4CC4.Cl F595870
[2H]c1c(c(c(c(c1[2H])F)[2H])C(C(=O)C2CC2)N3CCc4c(cc(s4)OC(=O)C)C3)[2H].Cl F595872
CC(=O)Oc1cc2c(s1)CCN(C2)C(c3ccc(cc3)F)C(=O)C4CC4.Cl F595875
[2H]c1c(c(c(c(c1C(C(=O)C2CC2)N3CCc4c(cc(s4)OC(=O)C)C3)[2H])[2H])F)[2H].Cl F595877
c1cc(cnc1)/C=C/C=C(/C(=O)O)\F F595880
c1ccc2c(c1)c(ccn2)F F595885
c1cc(c(cc1N)F)N2CCOCC2 F595895
Cc1ccc2cc(ccc2n1)F F595900
c1cc(c(c(c1)F)C=O)O F595905
c1cc(c(cc1O)O)F F595915
[2H]C([2H])(c1c(nc2n(c1=O)CCCC2)C)C([2H])([2H])N3CCC(CC3)c4c5cc(ccc5on4)F F595927
[2H]c1c(c(c(c(c1F)[2H])[2H])SC)[2H] F595942
c1cc(c(cc1C(=S)N)F)C(F)(F)F F595950
c1ccc(cc1)C(=O)OCc2ccc(cc2F)C3(N=N3)C(F)(F)F F595955
c1cc(c(cc1F)C(F)(F)F)CN F595960
c1c(cc(cc1C(F)(F)F)F)CC(=O)O F595965
Cc1c(sc(n1)c2ccc(c(c2)F)C(F)(F)F)CCl F595970
Cc1c(sc(n1)c2ccc(c(c2)F)C(F)(F)F)CO F595975
c1cc(c(cc1S(=O)(=O)N)S(=O)(=O)C(F)(F)F)F F595980
c1ccc(c(c1)F)S(=O)(=O)C(F)(F)F F595985
CCCCCCCCCCCC1=NCCc2c1ccc(c2)F F595990
c1ccc(c(c1)F)SC(F)(F)F F595995
c1c(c(=O)[nH]c(=O)[nH]1)F F596000
c1c(c(=O)[15nH][13c](=O)[15nH]1)F F596002
[2H]c1c(c(=O)[nH]c(=O)[nH]1)F F596003
c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)F F596010
c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)F F596012
c1ccc(cc1)Nc2nc(nc(n2)N3CCOCC3)Nc4ccc(c(c4)S(=O)(=O)[O-])/C=C/c5ccc(cc5S(=O)(=O)[O-])Nc6nc(nc(n6)N7CCOCC7)Nc8ccccc8.[Na+].[Na+] F596080
C(=C(/C(=O)O)\F)\NC(=O)N F596200
c1c(c(=O)[nH]c(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)F F596500
c1c(c(=O)[15nH][13c](=O)[15n]1[C@H]2[C@H](C([C@H](O2)CO)O)O)F F596502
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C F596600
CO/N=C(\c1ccccc1Oc2c(c(ncn2)Oc3ccccc3Cl)F)/C4=NOCCO4 F596700
[2H]C1(C(ON=C(O1)/C(=N/OC)/c2ccccc2Oc3c(c(ncn3)Oc4ccccc4Cl)F)([2H])[2H])[2H] F596702
[2H]c1c(c(c(c(c1[2H])Oc2c(c(ncn2)Oc3ccccc3/C(=N\OC)/C4=NOCCO4)F)Cl)[2H])[2H] F596703
CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F.Cl F597090
[2H]c1c(c(c(c(c1[2H])[2H])[C@@H](CCNC)Oc2ccc(cc2)C(F)(F)F)[2H])[2H].Cl F597092
CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F.Cl F597095
[2H]c1c(c(c(c(c1[2H])[2H])[C@H](CCNC)Oc2ccc(cc2)C(F)(F)F)[2H])[2H].Cl F597097
CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F.Cl F597100
CS(=O)(=O)SCCN1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)C(F)(F)F F598000
CS(=O)(=O)SCCN1CCN(CC1)CC/C=C/2\c3ccccc3Sc4c2cc(cc4)C(F)(F)F F598010
c1ccc2c(c1)/C(=C\CCN3CCN(CC3)CCO)/c4cc(ccc4S2)C(F)(F)F F598050
C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O)OC(=O)C F598150
[2H]C([2H])([2H])C(=O)O[C@@H](C)C(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O F598152
c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO F598400
[2H]C1(C(N(C(C(N1CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H] F598402
c1ccc2c(c1)N(c3cc(ccc3S2)C(F)(F)F)CCCN4CCN(CC4)CCO[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O F598410
c1ccc2c(c1)N(c3cc(ccc3S2=O)C(F)(F)F)CCCN4CCN(CC4)CCO F598415
[2H]C1(C(N(C(C(N1CCCN2c3ccccc3S(=O)c4c2cc(cc4)C(F)(F)F)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H] F598417
CCOC(=O)Nc1ccc(nc1N)NCc2ccc(cc2)F.C(=C\C(=O)O)\C(=O)O F598510
[2H]c1c(c(c(c(c1CNc2ccc(c(n2)N)NC(=O)OCC)[2H])[2H])F)[2H].Cl F598512
CC(=O)OCC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O F598600
C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CO)C)O)F F598650
CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O F598700
[2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccccc2)C(=O)O F598702
CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OC(C)OC(=O)C F598710
CC(c1ccc(c(c1)F)c2ccccc2)C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O F598715
CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OS(=O)(=O)O F598760
C(C(=O)O)Oc1c(c(c(c(n1)F)Cl)N)Cl F598780
C[Si](Cn1cncn1)(c2ccc(cc2)F)c3ccc(cc3)F F598800
CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-] F598850
[2H]C([2H])([2H])C([2H])(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C([2H])([2H])[2H] F598852
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)[C@H](C)NC(=O)c8ccc(c(c8)C(=O)O)c9c1ccc(cc1oc-1cc(=O)ccc91)O)C)OC(=O)C F599400
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C)F F599490
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O)O)C)O)F)C)F F599492
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)O F599495
[2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)O F599497
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF F599500
[2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF F599505
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)c5ccco5)C)O)F)C)F F599510
[2H]c1c(c(oc1[2H])C(=O)O[C@@]2([C@@H](C[C@@H]3[C@@]2(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)C)C(=O)SC([2H])([2H])F)[2H] F599512
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)O[C@@]5([C@@H](C[C@@H]6[C@@]5(C[C@@H]([C@]7([C@H]6C[C@@H](C8=CC(=O)C=C[C@@]87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F F599520
c1ccc(c(c1)C(Cn2cncn2)(c3ccc(cc3)F)O)F F599700
CCn1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601240
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601242
CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601245
CC(C)n1c2ccccc2c(c1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)c3ccc(cc3)F F601246
CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F.[Na+] F601250
[2H]c1cc(c2c(c1)c(c(n2C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F)[2H].[Na+] F601252
CC(C)n1c2ccccc2c(c1/C=C/[C@@H]3C[C@H](CC(=O)O3)O)c4ccc(cc4)F F601255
CC(C)n1c2ccccc2c(c1/C=C/[C@@H]3C[C@@H](OC(O3)(C)C)CC(=O)OC(C)(C)C)c4ccc(cc4)F F601260
CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)c3ccc(cc3)F F601270
CC(C)n1c2ccccc2c(c1/C=C/[C@H](C[C@H](CC(=O)OC)O)O)c3ccc(cc3)F F601275
c1cc(ccc1/C(=N/OCCN)/CCCC(=O)O)C(F)(F)F F603490
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O F603500
COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F F603501
[2H]C([2H])([2H])OCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F.C(=C\C(=O)O)\C(=O)O F603502
COCCCC/C(=N/OCCN)/c1ccc(cc1)C(F)(F)F F603505
COCCCC/C(=N\OCCNC(=O)/C=C\C(=O)O)/c1ccc(cc1)C(F)(F)F F603510
COCCCCC(=O)c1ccc(cc1)C(F)(F)F F603700
C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)CO[C@@H](O5)c6ccccc6)OC(=O)C)NC(=O)C F619940
C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@@H]5[C@H](O4)CO[C@@H](O5)c6ccccc6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C F619950
C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C F619970
C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C F619980
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)O)NC(=O)OCC3c4ccccc4-c5c3cccc5)NC(=O)C)OC(=O)c6ccccc6)O)OC(=O)C F619990
c1ccc2c(c1)-c3ccccc3C2COC(=O)NCCCCC(CO)CO F620000
c1ccc2c(c1)-c3ccccc3C2COC(=O)NCCOCCOCCOCCNC(=O)COCC(=O)O F620400
c1ccc2c(c1)-c3ccccc3C2COC(=O)Nc4cccc(c4)CC(=O)O F620825
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OCC1c2ccccc2-c3c1cccc3)OC(=O)c4ccccc4 F622710
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCC4c5ccccc5-c6c4cccc6)OC(=O)c7ccccc7 F622750
COCCCC/C(=N\OCCNC(=O)OCC1c2ccccc2-c3c1cccc3)/c4ccc(cc4)C(F)(F)F F623000
COCCCC/C(=N/OCCNC(=O)OCC1c2ccccc2-c3c1cccc3)/c4ccc(cc4)C(F)(F)F F623001
CC(C)(C)OC(=O)C(CC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)C(=O)OC(C)(C)C F625000
CC(C)(C)OC(=O)C(C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)C(=O)OC(C)(C)C F625010
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4c[nH]c5c4ccc(c5)Cl)C(=O)O F628000
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](Cc4c[nH]c5c4ccc(c5)Cl)C(=O)O F628005
COc1cc(c(cc1OC)[N+](=O)[O-])COC[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 F628850
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCCCNC(=N)N)C(=O)O.Cl F633750
c1ccc2c(c1)-c3ccccc3C2COC(=O)ON4C(=O)CCC4=O F634000
[2H]C([2H])([2H])C(C)(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3 F641502
c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCC(=O)NCCNc4cccc5c4cccc5S(=O)(=O)O)C(=O)O F647500
CN(C)CCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3.Cl F648400
[13CH3][13CH2][13CH2][13CH2][13C@@H]([13C](=O)O)[15NH]C(=O)OCC1c2ccccc2-c3c1cccc3 F648502
COc1cc(cc(c1CNC(=O)OCC2c3ccccc3-c4c2cccc4)OC)OCCCCC(=O)O F657500
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OCC1c2ccccc2-c3c1cccc3)O F667750
CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OC[C@@H](C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)COC(=O)C)OC(=O)C)OC(=O)C F667900
C[C@H]([C@@H](C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C F667920
CC1(CC(CC([NH+]1[O-])(C)C)(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)C F675000
C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1c2ccccc2-c3c1cccc3)O F676000
Cc1ccc(cc1)C(=O)COC(=O)[C@H]([C@@H](C)O)NC(=O)OCC2c3ccccc3-c4c2cccc4 F676020
c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(C(=O)O)C(F)(F)F F678500
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)NC(=O)OCC4c5ccccc5-c6c4cccc6)O F679500
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cncc4CC[C@@H](C(=O)O)NC(=O)OCC5c6ccccc6-c7c5cccc7 F679800
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N F680300
[2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])NCc2c[nH]c-3nc(nc(=O)c3n2)N)[2H] F680302
c1cc(ccc1C(=O)N[13CH]([13CH2][13CH2][13C](=O)O)[13C](=O)O)NCc2c[nH]c-3nc(nc(=O)c3n2)N F680303
[2H]C([2H])(c1c[nH]c-2nc(nc(=O)c2n1)N)Nc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O F680304
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2CC3CNc4c(c(=O)[nH]c(n4)N)N3C2 F680350
[2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N2CC3CNc4c(c(=O)[nH]c(n4)N)N3C2)[2H] F680352
COC1[C@@H](C([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])OC3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H](C([C@@H]([C@H](O4)C(=O)[O-])OC5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] F683500
C[C@@]1(CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C=O)O)C)O F685300
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)N4CCN(CC4)CC)n(n1)C F685400
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)C(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC F685402
c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl F691050
CC(=O)O.[13CH](=N)N F691502
c1cc(ccc1C(=O)O)NC=O F692100
C[C@]12CCC(=O)C(=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O F692250
[2H]C([2H])([2H])N(/C=N/c1cccc(c1)OC(=O)NC)C([2H])([2H])[2H].Cl F692802
[13CH](=O)O F692902
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C F693100
COc1ccc(cc1)c2coc3cc(ccc3c2=O)O F693200
COc1ccc(cc1)c2coc3cc(ccc3c2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O F693210
C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O F693415
C[C@H](Cc1ccc(cc1)OC)NC[C@@H](c2ccc(c(c2)NC=O)OS(=O)(=O)O)O F693420
CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)Nc3cc(ccc3O)C(CNC(C)Cc4ccc(cc4)OC)O.C(=C/C(=O)O)\C(=O)O F693425
Cc1c(c(=O)n(n1C)c2ccccc2)NC=O F695000
c1cc(cnc1)C(=O)CCCNC=O F695500
CCOC(=O)/C(=C\O)/NC=O F695690
CCO[13C](=O)/[13C](=C\O)/NC=O F695692
COc1ccc(cc1)C(CNC=O)C2(CCCCC2)O F695775
c1cc2c(cccc2S(=O)(=O)Cl)c(c1)NC=O F696500
c1c(c(n[nH]1)NC=O)C(=O)N F696750
CCOC(=O)c1c[nH]nc1NC=O F696760
Cc1c(c(=O)n(n1C)c2ccccc2)C=O F696850
[2H]C([2H])([2H])n1c(c(c(=O)n1c2ccccc2)C=O)C F696852
c1cc-2c(cnc2[nH]c1)C=O F697200
c1cc(ccc1C=O)C(=O)O F697400
COC(=O)c1ccc(cc1)C=O F697410
C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OCOC)OCOC)C=O F697750
CCOC(=O)C(CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC=O F697800
c1ccc(c(c1)/C=C/C(=O)O)C=O F698530
COC(=O)/C=C/c1ccc(cc1)C=O F698540
c1c2c(cc(c1F)N3CCN(CC3)C=O)n(cc(c2=O)C(=O)O)C4CC4 F698950
C1[C@@H]([C@H](OC1NC(=O)NC(=N)NC=O)CO)O F698980
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)C=O)\C)C)O)C)O)C)O)C)OC)C)O F699000
[2H]C([2H])([2H])Oc1ccc2c(c1)[C@]34CCCC[C@@H]3[C@H](C2)N(CC4)C=O F699017
CC(C)CC(C1(CCC1)c2ccc(cc2)Cl)NC=O F699030
[2H]C1(C(C(C1([2H])[2H])(c2ccc(cc2)Cl)C(CC(C)C)NC=O)([2H])[2H])[2H] F699032
c1c(cc(c(c1I)O)I)C[C@@H](C(=O)O)NC=O F699200
COc1c(cnc(n1)OC)C=O F700100
CC1(OCc2cc(ccc2O1)C=O)C F700200
c1ccc2c(c1)[C@H](CC[C@H]2NC=O)c3ccc(c(c3)Cl)Cl F700225
Cc1c(c([nH]c1C=O)C)CCC(=O)OC F700250
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N(Cc2c[nH]c-3nc(nc(=O)c3n2)N)C=O F700450
[2H]c1c(c(c(c(c1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[2H])[2H])N(Cc2c[nH]c-3nc(nc(=O)c3n2)N)C=O)[2H] F700452
CCOC(=O)CNC=O F700460
CCO[13C](=O)[13CH2]NC=O F700462
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](C[C@H]([C@@H]1CC[C@H](CCc2ccccc2)O)O)OC=O F700470
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@@H]([C@@H]1CC[C@H](CCc2ccccc2)O)OC=O)O F700475
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CC[C@H](CCc2ccccc2)OC=O)O)O F700480
c1cc(oc1C=O)C(=O)O F700500
C[C@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C F700515
C[C@H](C=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)C F700520
c1ccc2c(c1)CCN2C=O F700530
CC1C[C@H]([C@H](OC1=O)[C@H](C[C@@H](C)C/C(=C/[C@@H](CC=C)C(=O)C[C@@H]([C@@H](C)[C@@H](/C(=C/[C@@H]2CC[C@H]([C@H](C2)OC)O)/C)OC(=O)[C@@H]3CCCCN3C=O)O)/C)OC)OC F700545
CC(C)C[C@@H](C(=O)O)NC=O F700560
[2H]C([2H])([2H])C(C)C[C@@H](C(=O)O)NC=O F700562
CCCCCCCCCCC[C@@H]1C[C@@H]([C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O F700565
[2H]C([2H])([2H])C(C)C[C@@H](C(=O)O[C@H]1C[C@H](OC(=O)[C@H]1CCCCCC)CCCCCCCCCCC)NC=O F700567
CCCCCCCCCCC[C@@H]1C[C@H]([C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H](CC(C)C)NC=O F700570
CCCCCCCCCCC[C@@H](C/C=C/CCCCCC)OC(=O)[C@H](CC(C)C)NC=O F700575
CCCCCCCCCCC[C@@H](C[C@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O F700590
CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O F700600
[2H]C([2H])([2H])C(C)C[C@@H](C(=O)O[C@@H](CCCCCCCCCCC)C[C@@H]([C@H](CCCCCC)C(=O)O)O)NC=O F700602
CC[C@]12C[N@]3CCc4c5ccccc5[nH]c4[C@](C[C@H](C3)[C@H]1O2)(c6cc7c(cc6OC)N([C@@H]8[C@]79CCN1[C@H]9[C@@](C=CC1)([C@H]([C@@]8(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC F700650
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)C=O)Cl)CC1 F700680
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4C=O)Cl)CC1 F700690
CC(Cc1ccccc1)N(C)C=O.Cl F700700
[2H]C([2H])([2H])N(C=O)C(C)Cc1ccccc1 F700702
C[C@H](Cc1ccccc1)N(C)C=O F700705
[2H]C([2H])([2H])N(C=O)[C@H](C)Cc1ccccc1 F700707
C[C@@H](Cc1ccccc1)N(C)C=O F700710
[2H]C([2H])([2H])N(C=O)[C@@H](C)Cc1ccccc1 F700712
Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)N(C=O)C(=O)C5CCC(CC5)(F)F)C(C)C F700715
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)N(C=O)C(=O)C5CCC(CC5)(F)F)C)C([2H])([2H])[2H] F700717
COc1ccc(cc1)CN(CCNC=O)c2ccccn2 F700720
C[C@@]12C[C@H]3C[C@@](C1)(C[C@](C3)(C2)NC=O)C F700740
[2H]C([2H])([2H])[C@]12C[C@@H]3C[C@](C1)(C[C@@](C3)(C2)NC=O)C([2H])([2H])[2H] F700742
CC1([C@@H]([C@@H](C(N1O)(C)C)C(=O)OC)C=O)C F700760
COc1cc(ccc1C=O)OCCCC(=O)O F700785
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2OC)C=O)C(=O)OC)OC(=O)C F700790
C1C(CC(=O)NC1=O)CC=O F700800
Cc1ncc(cn1)C=O F700810
CC1(OC(=O)C(=CO)C(=O)O1)C F700820
Cc1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)C=O F700830
COC(=O)c1cc(cnc1)C=O F700850
c1ccc(c(c1)Nc2c(cc(s2)C=O)C#N)[N+](=O)[O-] F700860
c1cc(cnc1)C2CCCN2C=O F700875
c1ccc2c(c1)CC(=O)c3ccccc3N2C(=O)NC=O F700880
c1ccc2c(c1)cc(c3c2cccc3)C=O F700885
COc1ccc(cc1)C[C@H]2C3=C(CCCC3)CCN2C=O F700890
[2H]C([2H])([2H])Oc1ccc(cc1)C[C@H]2C3=C(CCCC3)CCN2C=O F700892
CC(c1ccc(cc1)C=O)C(=O)O F700900
CC(C)(C)OC(=O)N1CCC(CC1)C=O F700925
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])OC=O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)OCC)C)C)([2H])[2H])O F700932
C([C@@H]1[C@H]([C@H](C(O1)NC(=O)NC(=N)NC=O)O)O)O F700940
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)C=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O F700950
CC(C)(C#N)c1cc(cc(c1)C(C)(C)C#N)C=O F701010
c1cc(sc1C=O)C(=O)O F701050
CC(C)[Si](C(C)C)(C(C)C)OC1(CC1)C=O F701100
[2H]C([2H])([2H])N(C)CC(C)CN1c2ccccc2CCc3c1ccc(c3)C=O F701152
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)NC=O F701300
c1c(cc(c(c1I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C[C@@H](C(=O)O)NC=O F701302
COc1ccc(c(c1OC)OC)CN2CCN(CC2)C=O F701400
c1c(c(=O)[nH]c(=O)[nH]1)C=O F701500
CC(C)[C@@H](C(=O)OCCOCn1cnc2c1nc(nc2O)N)NC=O F701570
c1cnc2cc3c(cc2n1)C4CC3CN(C4)C=O F701650
CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O F701800
CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)OC2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)c3ccc(cc3)N.[Ca+2] F727250
[2H]C1(CC(C(O1)([2H])[2H])OC(=O)N[C@@H](Cc2ccccc2)[C@@H](CN(CC(C)C)S(=O)(=O)c3ccc(cc3)N)OP(=O)([O-])[O-])[2H].[Ca+2] F727252
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)Cc3[nH]c(=O)n(n3)P(=O)(O)O)c4ccc(cc4)F F727300
C(=O)([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+] F727400
C[C@H]1[C@H](O1)P(=O)([O-])[O-].[Na+].[Na+] F727500
[13CH3][13CH]1[13CH](O1)P(=O)(O)O.c1ccc(cc1)CN F727502
CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@H]2C(=O)[O-])C3CCCCC3.[Na+] F727800
[2H]c1c(c(c(c(c1[2H])[2H])CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3)OC(C(C)C)OC(=O)CC)[2H])[2H].[Na+] F727802
CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@H]2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4CCCCC4 F727805
c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3)[O-].[Na+].[Na+] F727810
[2H]c1c(c(c(c(c1[2H])[2H])CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3)O)[2H])[2H].[Na+] F727812
c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@H]2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4CCCCC4)O F727820
CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@H](C[C@H]2C(=O)[O-])C3CCCCC3.[Na+] F727825
CCC(=O)O[C@H](C(C)C)O[P@](=O)(CCCCc1ccccc1)CC(=O)N2C[C@@H](C[C@@H]2C(=O)[O-])C3CCCCC3.[Na+] F727830
C(CN(C=O)O)CP(=O)(O)[O-].[Na+] F728500
c1ccc(cc1)C2(C(=O)N(C(=O)N2)COP(=O)([O-])[O-])c3ccccc3.[Na+].[Na+] F728900
C(CC(=O)O)C(C(=O)O)/N=N\C=O F735500
CC1(C(=O)N(c2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)COP(=O)([O-])[O-])C.[Na+].[Na+] F745500
CS(=O)(=O)O.c1cc(ccc1CC(=O)O)OC(=O)c2ccc(cc2)NC(=N)N F754500
c1ccc(cc1)COC(=O)Cc2ccc(cc2)OC(=O)c3ccc(cc3)NC(=N)N.Cl F754510
CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)F F755400
[2H]C([2H])(CCCC([2H])([2H])NC(=O)CCCCC1C2C(CS1)NC(=O)N2)NC(=O)CCCCCCCCCP(=O)(OCC)F F755402
CN1CCC=C(C1)c2c(nsn2)SCCCF F756500
CC(=O)N(CCCP(=O)(O)[O-])O.[Na+] F763500
CN[C@@H]1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1.C(CC(=O)O)C(=O)O.O F768500
[2H]C([2H])([2H])NC1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1.C(CC(=O)O)C(=O)O.O F768502
CN[C@H]1CCc2c(c3cc(ccc3[nH]2)C(=O)N)C1 F768505
c1c(ncc(n1)[C@H]([C@@H]([C@@H](CO)O)O)O)[C@H]([C@@H]([C@@H](CO)O)O)O F785000
C1[C@H]([C@@H](C([C@](O1)(CO)O)O)O)O F792500
C[C@H](C(=O)O)NCC1([C@H]([C@@H]([C@@H](CO1)O)O)O)O F792520
C1[C@H]([C@H]([C@@H](C(O1)(CN[C@H](CC(=O)N)C(=O)O)O)O)O)O F792525
CC(C)C[C@H](C(=O)O)NCC1([C@H]([C@@H]([C@@H](CO1)O)O)O)O F792540
c1ccc(cc1)C[C@H](C(=O)O)NCC2([C@H]([C@@H]([C@@H](CO2)O)O)O)O F792560
C1C[C@@H](N(C1)CC2([C@H]([C@@H]([C@@H](CO2)O)O)O)O)C(=O)O F792565
c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)O)NCC3([C@H]([C@@H]([C@@H](CO3)O)O)O)O F792580
CC(C)[C@H](C(=O)O)NCC1([C@H]([C@@H]([C@@H](CO1)O)O)O)O F792595
CC(=O)N[C@@H](C(=O)NC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O)C(C)(C)SN=O F795500
c1ccc2c(c1)c(=O)c3c(o2)c4ccccc4oc3=O F795800
CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N.Cl F805000
[2H]C([2H])(C(CCc1ccc(cc1)CCCCCCCC)(C([2H])([2H])O)N)O.Cl F805002
CCCCCCCCc1ccc(cc1)CC[C@](CO)(COP(=O)(O)O)N F805005
CCCCCCCCc1ccc(cc1)CCC(CO)(COP(=O)(O)O)N F805010
[2H]C([2H])(C(CCc1ccc(cc1)CCCCCCCC)(C([2H])([2H])OP(=O)(O)O)N)O F805012
c1cc(ccc1CCC(CO)(CO)N)CC(=O)O.Cl F805015
c1cc(ccc1CCCCCCCC(=O)O)CCC(CO)(CO)N.Cl F805020
c1cc(ccc1CCCC(=O)O)CCC(CO)(CO)N.Cl F805025
c1cc(ccc1CCCCCC(=O)O)CCC(CO)(CO)N.Cl F805030
CCCCCCCCC(C)C#N F810200
C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)C[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C)/C=C/C=C(\C)/C=C=C3[C@](C[C@H](CC3(C)C)OC(=O)C)(C)O F810500
Cc1ccc(c(c1)OCCOc2cc3cc(oc3cc2N(CC(=O)[O-])CC(=O)[O-])c4ncc(o4)C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+] F822500
Cc1ccc(c(c1)OCCOc2cc3cc(oc3cc2N(CC(=O)[O-])CC(=O)[O-])/C=C/4\C(=O)NC(=S)N4)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+] F822510
CC1[C@H]([C@@H](C([C@@H](O1)OC2[C@H]([C@H](C(O[C@H]2O)CO)O)O)O)O)O F823500
CC1[C@H]([C@@H](C([C@@H](O1)O[C@H]2[C@H](C(O[C@H](C2O)O)CO)O)O)O)O F823510
CC1[C@@H]([C@H](C([C@H](O1)O[C@@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O F823520
CC1[C@H]([C@@H](C([C@H](O1)N)O)O)O F835750
CC1[C@H]([C@@H](C([C@@H](O1)O)O)O)O F836100
CC1(C[C@H]([C@H](C(N1O)(C)C)C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)C F860850
CC1(C[C@@H]([C@H](C(N1O)(C)C)C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4)C F860860
C[C@]12CC[C@@H]3c4ccc(cc4C[C@@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862495
C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862500
[2H][C@]1([C@]2(CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]2CC1([2H])[2H])CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O)C)O F862502
C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O F862510
C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862515
C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)OS(=O)(=O)[O-].[Na+] F862520
C[C@]12CC[C@@H]3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)(=O)CCCC(C(F)(F)F)(F)F)O F862525
C[C@]12CC[C@@H]3c4ccc(cc4C=C([C@H]3[C@@H]1CC[C@@H]2O)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)O F862530
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C F862650
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O F862750
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@H]([13CH2][13C](=O)O)C(=O)O)OC(=O)C[C@@H]([13CH2][13C](=O)O)C(=O)O F862752
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O F862755
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCC[C@H](C[C@@H]([C@H](C)N)O)O)OC(=O)C[C@H]([13CH2][13C](=O)O)C(=O)O)OC(=O)C[C@@H]([13CH2][13C](=O)O)C(=O)O F862757
c1cc(oc1/C=C/C=N/N2CC(=O)NC2=O)[N+](=O)[O-] F863000
c1cc(oc1/C=N/N2CC(OC2=O)CN3CCOCC3)[N+](=O)[O-].Cl F863400
[2H]C1(C(OC(C(N1CC2CN(C(=O)O2)/N=C/c3ccc(o3)[N+](=O)[O-])([2H])[2H])([2H])[2H])([2H])[2H])[2H] F863402
c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=N)N)C(=N)N F863600
[2H]c1c(c(c(c(c1c2ccc(o2)c3c(c(c(c(c3[2H])[2H])C(=N)N)[2H])[2H])[2H])[2H])C(=N)N)[2H] F863602
[2H]c1c(c(oc1[2H])[2H])[2H] F863652
c1cc(oc1C(=O)O)C(=O)O F863750
CCOC(=O)c1ccc(o1)C(=O)OCC F863760
[2H]C([2H])(c1ccoc1)O F864002
c1cc(oc1)c2cn(c(=O)[nH]c2=O)[C@H]3CC([C@H](O3)CO)O F864030
c1c2cc(oc2cc(c1OCC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])c3ncc(o3)C(=O)[O-].[K+].[K+].[K+].[K+] F864045
C=CCc1ccc(cc1)O[C@H]2C([C@H]([C@@H](C(O2)CO[C@H]3[C@H](C(CO3)(CO)O)O)O)O)O F864060
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5c(non5)C4)C F864080
c1cc(oc1/C=N/N2CCOC2=O)[N+](=O)[O-] F864100
[2H]C1(C(OC(=O)N1/N=C/c2ccc(o2)[N+](=O)[O-])([2H])[2H])[2H] F864102
CCOC(=O)C1(CCN(CC1)CCOCC2CCCO2)c3ccccc3.Cl F864130
[2H]C1(CC(CC(N1CCOCC2CCCO2)([2H])[2H])(c3ccccc3)C(=O)OCC)[2H].Cl F864132
CC(Cc1ccccc1)N(C)Cc2ccco2 F864160
[2H]C([2H])([2H])N(Cc1ccco1)[C@@H](C)Cc2ccccc2 F864162
c1cc(oc1)CO F864220
[2H]C([2H])(c1ccco1)O F864222
c1cc(oc1)CN F864260
c1cc(oc1)CS F864300
[2H]C([2H])(c1ccco1)S F864302
CC(=O)SCc1ccco1 F864600
[2H]C([2H])(c1ccco1)SC(=O)C F864602
CCC1Cc2cc(ccc2O1)CC(=O)O F864700
[2H]C([2H])([2H])CC1Cc2cc(ccc2O1)CC(=O)O F864702
c1cocc-2oc(=O)cc12 F864800
C[C@@H]([C@H](C)O)C([C@@H]1C[C@H]2CO[C@H]([C@@H]([C@@H]2O1)O)C/C(=C/C(=O)OCCCCCCCCC(=O)[O-])/C)O.[Na+] F864850
c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl F865000
[2H]c1c(c(oc1[2H])C([2H])([2H])Nc2cc(c(cc2C(=O)O)S(=O)(=O)N)Cl)[2H] F865002
c1cc(oc1)CNc2cc(c(cc2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)S(=O)(=O)N)Cl F865010
C=CCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)c2cc(c(cc2NCc3ccco3)Cl)S(=O)(=O)N)O)O)O F865020
CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)OC(=O)C)C)CO F865300
C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C F865500
[2H]C([2H])([2H])C(=CCC/C(=C/1\[C@@H]2C[C@H]([C@H]3[C@]4(CC[C@H]([C@H]([C@@H]4CC[C@@]3([C@]2(C[C@H]1OC(=O)C)C)C)C)O)C)O)/C(=O)O)C([2H])([2H])[2H] F865502
c1cc(cc(c1)C(=O)O)C(=O)CC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc[nH]c4=O)O)O F866500
C1C(C=CC=C1C(=O)O)N.Cl G111000
C1CCC(CC1)(CC(=O)O)CN G117250
[2H]C([2H])(C(=O)O)C1(CCCCC1)C([2H])([2H])N G117252
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(CC(=O)O)CN)[2H] G117253
C1CCC2(CC1)CC(=O)NC2 G117275
C1CCC(CC1)(CC(=O)O)C(=O)O G117278
C1CCC(CC1)(CC#N)C#N G117280
C1CCC2(CC1)CC(=O)N(C2)CC3(CCCCC3)CC(=O)O G117285
C1CCC(CC1)(CC(=O)O)C(=O)O G117290
COc1ccc(cc1)c2ccc(=N)n(n2)CCCC(=O)O G122500
CCOC(=O)CCCn1c(=N)ccc(n1)c2ccc(cc2)OC G122505
CCOC(=O)c1ccc(cc1)OC(=O)CCCCCNC(=N)N.CS(=O)(=O)O G122800
c1ccc(cc1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+8] G125700
CC(=O)OC[C@@H]([C@H]1[C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G138000
C1=CO[C@@H]([C@@H]([C@@H]1O)O)CO G151000
CC(=O)OC[C@@H]1[C@@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C G152000
CC(=O)NC\1[C@H]([C@H](C(O/C1=N\OC(=O)Nc2ccccc2)CO)O)O G153200
CC1(O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O1)CO)O)O)OC G153875
C(C1[C@@H]([C@@H](C([C@@H](O1)N)O)O)O)O G154475
C1[C@H]([C@@H](C([C@@H](O1)O)O)O[C@H]2C([C@H]([C@H](C(O2)CO)O)O)O)O G154500
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](OC2O)CO)O)O)O)O)O)O G154700
C(C1[C@@H]([C@@H](C([C@H](O1)O[C@H]2[C@H](C(O[C@H](C2O)O)CO)O)O)O)O)O G154750
C(C1[C@@H]([C@@H](C([C@H](O1)O[C@@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O G154755
C(C1[C@@H]([C@@H](C([C@@H](O1)O[C@H]2[C@@H](C([C@@H](OC2CO)O)O)O)O)O)O)O G154850
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G154860
CS(=O)(=O)SCCNC(=O)N[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O G154880
C(CCCCO[C@H]1C([C@H]([C@H](C(O1)CO)O)O)O)CCCC(=O)O G154920
C(CCCCO[C@@H]1C([C@H]([C@H](C(O1)CO)O)O)O)CCCC(=O)O G154930
C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)N)O)O)O.Cl G155000
C(C1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O)O G155250
CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G155700
C(C1[C@@H]([C@@H](C([C@@H](N1)OS(=O)O)O)O)O)O G156500
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O[Si](C)(C)C(C)(C)C G184875
CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O G184930
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O G184950
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O G184960
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCC)O G185000
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)N)O G185075
[C@@H]1([C@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O.O G186500
CN1CC[C@@]23C=CC(=O)C[C@@H]2Oc4c3c(ccc4OC)C1 G188500
CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O G188501
[2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CCN(C2)C)C=C[C@@H](C4)O G188502
[2H]C([2H])([2H])N1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC([2H])([2H])[2H])C1)O G188503
CN1CC[C@]23C=C[C@H](C[C@H]2Oc4c3c(ccc4OC)C1)O G188505
CN1CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O G188515
C[N+]1(CC[C@@]23C=C[C@@H](C[C@@H]2Oc4c3c(ccc4OC)C1)O)[O-] G188525
[2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@@]3(CC[N+](C2)(C)[O-])C=C[C@@H](C4)O G188527
CN1CC[C@@]23C=CC(=O)C[C@@H]2Oc4c3c(ccc4OC)C1 G188550
C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@H]3C[C@@H]4[C@]5(CCN(Cc6c5c(c(cc6)OC)O4)C)C=C3 G188560
C[C@@]12CC[C@](C1(C)C)(OC2=O)C(=O)O[C@@H]3C[C@H]4[C@@]5(CCN(Cc6c5c(c(cc6)OC)O4)C)C=C3 G188561
c1c(cc(c(c1O)O)O)C(=O)O.O G188900
c1ccc(cc1)COC(=O)c2cc(c3c(c2)OC(O3)(c4ccccc4)c5ccccc5)O G188950
c1ccc(cc1)COc2cc(cc(c2OCc3ccccc3)OCc4ccccc4)C(=O)O G188975
c1c(cc(c(c1O)O)O)[C@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O G188990
CC1COCc2c1cc3c(c2)C(C(C3(C)C)C)(C)C G189000
CC1COCc2c1cc3c(c2)C(C(C3(C)C)C)(C)C G189001
CCCN1C[C@@H]([C@H]([C@]([C@@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]([C@](C[C@H]1C)(C)O)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)CC)(C)O)O)C G195000
c1nc2c(=O)[nH]c(nc2n1COC(CO)CO)N G235000
[2H]C([2H])(C([2H])(C([2H])([2H])O)OCn1cnc2c1nc([nH]c2=O)N)O G235002
CC(=O)OCC(CO)OCn1cnc2c1nc([nH]c2=O)N G235010
[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)C)OCn1cnc2c1nc([nH]c2=O)N)O G235012
c1nc2c(=O)[nH]c(nc2n1COCOC(CO)CO)N G235015
C[C@@]1(CO[C@@H]([C@@H](C1NC)O)OC2[C@@H](CC([C@H]([C@@H]2O)O)N)N)O G245300
[2H]C1(C(C1([2H])[2H])n2cc(c(=O)c3c2c(c(cc3)c4ccc5c(c4)CN[C@@H]5C)OC(F)F)C(=O)O)[2H] G245502
CC1CN(CCN1)c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F G250000
[2H]C1(CN(C(C(N1)C)([2H])[2H])c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F)[2H] G250002
CCOC(=O)c1cn(c2c(c1=O)cc(c(c2OC)F)F)C3CC3 G250010
CC1(c2ccccc2[N+](=C1/C=C/C=C/3\C(c4ccccc4N3CCCCC(=O)NCCOCCOCCNCCO[C@@H]5C([C@H]([C@@H](C(O5)CO)O)O)O)(C)C)C)C G265000
CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6.CS(=O)(=O)O G300000
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F G304000
[2H]C([2H])([2H])Oc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F G304002
C[C@H]1C[C@H]([C@@H]([C@H](/C=C(/[C@@H]([C@@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)/C)OC)OC(=O)N)\C)C)O)OC G304500
c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl G305000
c1c[15n]([13c](=O)[15n]c1N)[C@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl G305002
[13cH]1[13cH][15n]([13c](=O)[15n]c1N)[C@H]2C([C@H]([C@H](O2)CO)O)(F)F.Cl G305003
c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O)O)(F)F.C(=O)O G305010
C[N+](C)(C)CCOP(=O)([O-])OP(=O)(O)OC[C@@H]1[C@@H](C([C@@H](O1)n2ccc(nc2=O)N)(F)F)O G305015
CCN(CC)CC.c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F G305020
CCN(CC)CC.c1c[15n]([13c](=O)[15n]c1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)(F)F G305022
c1cn(c(=O)nc1N)[C@H]2C([C@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)(F)F.[NH4+].[NH4+].[NH4+] G305025
Cc1ccc(c(c1)C)OCCCC(C)(C)C(=O)O G305745
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O)C G305750
[2H]C([2H])([2H])C(CCCOc1cc(ccc1C)C)(C(=O)O)C([2H])([2H])[2H] G305752
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C G305760
[2H]C([2H])([2H])C(CCCOc1cc(ccc1C)C)(C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C([2H])([2H])[2H] G305762
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O[C@H]2[C@H](C([C@@H](C(O2)C(=O)OCC=C)O)O)O)C G305765
Cc1ccc(c(c1)OCCCC(C)(C)C(=O)O[C@H]2[C@H](C([C@@H](C(O2)C(=O)OCc3ccccc3)O)O)O)C G305770
CO/N=C/1\CN(CC1CN)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F G336000
[2H]C([2H])(C\1CN([13CH2]/[13C]1=C\OC)c2c(cc3c(=O)c(cn(c3n2)C4CC4)C(=O)O)F)N G336002
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)C(=O)C)n(n1)C G349960
c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)OS(=O)(=O)[O-].[Na+].[Na+] G349980
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc(c3c(c2)occ(c3=O)c4ccc(cc4)OS(=O)(=O)O)O)C(=O)OC)OC(=O)C G349985
c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O G349990
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[2H]c1c(c(c(c(c1c2coc3cc(cc(c3c2=O)O)O)[2H])[2H])O)[2H] G350010
c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O G350015
c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O G350035
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C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H](CC[C@H](O3)CN)N)N)N)O G360590
CC([C@@H]1CC[C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)N G360595
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[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4(C([C@@H]3CC2([2H])[2H])C=C[C@]4(C#C)O)CC)[2H] G368252
CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35 G368260
CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)OS(=O)(=O)[O-])CCC4=CC(=O)CC[C@H]34.[Na+] G368265
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[2H]C#C[C@@]1(CC[C@@H]2[C@@]1(C=CC3=C4CC(C(=O)C(=C4CC[C@@H]23)[2H])([2H])[2H])CC)O G368802
CC12[C@H](C=C[C@@]3(C1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)O)OC2=O)O G377450
c1c(c(c[nH]c1=O)Cl)O G378000
c1c(=O)[nH][13cH][13c]([13c]1O)Cl G378002
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CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O G387205
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O G387425
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5)C(C)(C)C)C(C(=O)OC6O4)O)O G387430
CC1C(=O)OC2C1(C34C(=O)OC5C3(C2O)C6(C(C5O)C(C)(C)C)C(C(=O)OC6O4)O)O G387435
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5C([C@H]([C@@H](C(O5)CO)O)O)O[C@H]6C([C@H]([C@@H](C(O6)CO)O)O)O)C)C)O)C)O[C@H]7C([C@H]([C@@H](C(O7)CO[C@H]8C([C@H]([C@@H](C(O8)CO)O)O)O)O)O)O)C G387600
c1cc[n+](cc1)CC(=O)NN.[Cl-] G388500
[2H]c1c(c([n+](c(c1[2H])[2H])CC(=O)NN)[2H])[2H].[Cl-] G388502
CCc1c2c(c(=O)nc([nH]2)c3cc(cnc3OCC)S(=O)(=O)N4CCN(CC4)CC)nn1CCOC.c1ccc(cc1)S(=O)(=O)O G388700
c1ccc(c(c1)C(=O)O)Nc2ccnc3c2ccc(c3)Cl G406490
[2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2ccnc3c2ccc(c3)Cl)[2H])[2H] G406492
c1ccc(c(c1)C(=O)OCC(CO)O)Nc2ccnc3c2ccc(c3)Cl G406500
[2H]c1c(c(c(c(c1[2H])C(=O)OCC(CO)O)Nc2ccnc3c2ccc(c3)Cl)[2H])[2H] G406502
c1ccc(c(c1)C(=O)OCC(CO)O)Nc2cc[n+](c3c2ccc(c3)Cl)[O-] G406510
[2H]c1c(c(c(c(c1[2H])C(=O)OCC(CO)O)Nc2cc[n+](c3c2ccc(c3)Cl)[O-])[2H])[2H] G406512
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C.CS(=O)(=O)O G407000
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])Cc2ccc(cc2)C(=O)Nc3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C)([2H])[2H])[2H].CS(=O)(=O)O G407002
Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 G409875
[2H]c1c(c(c(c(c1C)[2H])[2H])S(=O)(=O)NC(=O)NN2CC3CCCC3C2)[2H] G409877
Cc1ccccc1S(=O)(=O)NC(=O)NN2CC3CCCC3C2 G409880
CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)C)C G410145
CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)C)C G410150
[2H]C(C(C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)C)C)([2H])[2H])([2H])[2H] G410152
CCC1=C(CN(C1=O)C(=O)NCCc2cc(ccc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)C)C G410160
Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3 G410225
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cnc(cn3)C)([2H])[2H])([2H])[2H])[2H] G410227
Cc1cc(no1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NN3CCCCCC3 G410600
[2H]C1(CCCCC(N1NC(=O)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(on3)C)([2H])[2H])[2H] G410602
C1=CO[C@@H]([C@H]([C@@H]1O)O)CO G412500
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)N[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O G412800
[2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)N[C@@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)C)[2H])[2H])Cl)[2H] G412802
C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)N G413200
[C@H]1([C@H](C(=O)O[C@@H]1[C@@H](C(=O)O)O)O)O.O G415600
[13CH2]([13C@H]([13C@H]([13C@@H]([13C@H]([13CH2]O)O)O)O)O)O G415802
C([C@H]([C@H]([C@H]1C([C@@H](C(=O)O1)O)O)O)O)O G416500
C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O G417475
C(CC(=O)O)[C@H](C(=O)O)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O G417500
c1ccc2c(c1)cnn3c2nnc3C(C(C(C(CO)O)O)O)O G418500
C(C1[C@H](C([C@@H]([C@H](O1)OCC2[C@H](C([C@@H]([C@H](O2)O[C@@H]3C(O[C@@H]([C@H](C3O)O)O[C@@H]4C(O[C@H]([C@H](C4O)O)O)CO)CO)O)O)O)O)O)O)O G419100
C(C1[C@H](C([C@@H]([C@H](O1)OCC2[C@H](C([C@@H]([C@H](O2)O[C@@H]3C(O[C@@H]([C@H](C3O)O)O[C@@H]4C(O[C@H]([C@H](C4O)O)O)CO)CO)O)O)O)O)O)O)O G419102
C(C1[C@H](C([C@@H]([C@@H](O1)O)O)O)O[C@@H]2[C@H](C([C@@H](C(O2)CO)O[C@@H]3[C@H](C([C@@H](C(O3)CO[13C@@H]4[13C@H]([13CH]([13C@@H]([13CH](O4)[13CH2]O)O)O)O)O)O)O)O)O)O G419103
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](OC([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G419125
CC(=O)NC(C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(C)(C)SN=O G419525
C1[C@H]([C@@H](C([C@@](O1)(CO)O)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)O)O G423500
C([C@H]1[C@H](C(C([C@H](O1)OC2[C@H]([C@H](C(O[C@H]2O)CO)O)O)O)O)O)O G425000
c1ccc(cc1)NC(=O)O/N=C/2\[C@H](C([C@@H](C(O2)CO)O)O)O G432000
CS(=O)(=O)SCCNC(=O)N[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O G441000
C1C([C@H]([C@@H](C(N1)CO)O[C@@H]2C([C@H]([C@@H](C(O2)CO)O)O)O)O)O G450000
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC(=O)Oc2ccc(cc2)[N+](=O)[O-])C(=O)OC)OC(=O)C G450200
C(C1[C@H]([C@@H](C([C@@H](O1)O)N)O)O)O.Cl G514950
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C G515000
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C G515001
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)N)O)O)OP(=O)(O)O.O G515050
[13CH2]([13C@@H]1[13C@H]([13C@@H]([13C@H]([13CH](O1)O)N)O)O)OP(=O)(O)O.O G515052
C(C1[C@H]([C@@H](C([C@H](O1)OP(=O)(O)O)N)O)O)O G515060
C(C1[C@H]([C@@H](C([C@@H](O1)O)N)O)O)O G515100
[13CH2]([13CH]1[13C@H]([13C@@H]([13CH]([13C@@H](O1)O)[NH3+])O)O)O.[Cl-] G515102
c1ccc2c(c1)C(=O)N(C2=O)CC3CO3 G523000
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)N)O)O)O)O G595000
[2H][13C@@]1([13C@]([13C](O[13C@@]([13C]1([2H])O)([2H])O)([2H])[13C]([2H])([2H])O)([2H])O)O G595001
[13CH2]([13CH]1[13C@H]([13C@@H]([13CH]([13C@@H](O1)O)O)O)O)O G595002
[2H]C([2H])(C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O G595003
[2H][C@@]1([C@](C(O[13C@@](C1([2H])O)([2H])O)([2H])C([2H])([2H])O)([2H])O)O G595004
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G596495
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G596500
CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C G596510
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+] G596800
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)OP(=O)([O-])[O-].[Na+].[Na+] G596805
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)NC(=O)CCC)O G596810
C(C1[C@H]([C@@H](C([C@@H](O1)OCC(CO)O)O)O)O)O G596820
C(C1[C@H]([C@@H](C([C@@H](O1)OC(CO)CO)O)O)O)O G596825
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CO)CO)OC(=O)C)OC(=O)C)OC(=O)C G596835
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)N)O G596840
[C@@H]1([C@@H]([C@H](OC([C@@H]1O)O)C(=O)O)O)O G596850
[13C@@H]1([13C@@H]([13CH](O[13C@H]([13CH]1O)O)[13C](=O)O)O)O G596852
CC(=O)O[C@H]1C=CO[C@H]([C@H]1OC(=O)C)C(=O)OC G596865
[C@H]1([C@@H](O[C@H]2C1OC(=O)[C@H]2O)O)O G596900
[C@@H]1([C@@H](O[C@@H]2C1OC(=O)[C@H]2O)O)O G596905
CP(=O)(CCC(C(=O)[O-])N)O.[NH4+] G596950
[2H]C([2H])([2H])P(=O)(CCC(C(=O)O)N)O.Cl G596952
C(CC(=O)O)C(C(=O)O)N G596955
C(CC(=O)O)[C@@H](C(=O)O)N G596960
[13CH2]([13CH2][13C](=O)O)[13C@H]([13C](=O)O)N G596962
[2H][C@@](C(=O)O)(C([2H])([2H])C([2H])([2H])C(=O)O)N G596963
C(CC(=O)O)[C@H](C(=O)O)N G596965
CC(C)(C)OC(=O)[C@H](CCC(=O)O)N G596980
C(CCN)C[C@@H](C(=O)O)NC(=O)[C@H](CS)N[13C](=O)[13CH2][13CH2][13C@@H]([13C](=O)O)[15NH2] G597102
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597200
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597250
C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc2cc3ccccc3c(c2)OC)NC(=O)CCCC(=O)O G597500
[2H][C@@]1(C(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C)([2H])[2H])O G641357
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C G641390
C(C(=O)O)O G645600
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C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)C([C@@H](CO)O)O)NC(=O)CO)O G650000
C[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)C.[Br-] G656980
C[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)C.[I-] G657000
[2H]C([2H])([2H])[N+]1(CCC(C1)OC(=O)C(c2ccccc2)(C3CCCC3)O)C.[I-] G657002
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C G679550
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C(CC(=O)N)[C@@H](C(=O)O)NC(=O)CNC(=O)CN G718450
c1cc(ccc1C[C@@H](C(=O)O)NC(=O)CNC(=O)CN)O G718500
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O G735000
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)(C)C(=O)O G735010
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O G735150
CC(C)C[C@@H](C(=O)O)NC(=O)CN G750000
c1c2c(c(c3c1CCC3)N)CCC2 H294050
CC(C)C1CCCCCN1.Cl H294055
CC(C)CC1CCCCCN1.Cl H294060
c1cc2c(cc1O)[C@H]3[C@H](CC2)NCCO3.Cl H294070
c1cc2c(cc1O)[C@@H]3[C@@H](CC2)NCCO3.Cl H294075
CC1CCC(NCC1)c2ccccc2.Cl H294080
CC1CCC(NCC1)c2ccncc2.Cl H294085
c1cc(cnc1)C2CCC(CCN2)C(F)(F)F.Cl H294095
CC1CCC(CNC1)(C)C.Cl H294115
COc1ccc2c(c1)[C@H]3[C@H](CC2)NCCO3.Cl H294120
COc1ccc2c(c1)[C@@H]3[C@@H](CC2)NCCO3.Cl H294125
CC1CCCCCN1.Cl H294130
CC1CCCNCC1 H294135
COc1ccc(cc1)C2OC[C@@H]3C[C@H]4[C@@H]([C@@H]3O2)O4 H294140
COc1ccc2c(c1)[C@H]3[C@H](CC2)NC(=O)CO3 H294145
C[N+](C)(C)C[C@@H](CC(=O)[O-])OC(=O)CCCC(=O)O G597600
C(CC(=O)N[C@@H](CS)C(=O)[15NH][13CH2][13C](=O)O)[C@@H](C(=O)O)N G597950
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597951
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N G597970
C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)[15NH][13CH2][13C](=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)[15NH][13CH2][13C](=O)O)[C@@H](C(=O)O)N G597972
COC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)OC)NC(=O)CC[C@@H](C(=O)OC)N)NC(=O)CC[C@@H](C(=O)OC)N G597975
C1COP(=O)(NC1SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)N(CCCl)CCCl G597980
[2H]C([2H])(CN(CC([2H])([2H])Cl)P1(=O)NC(CCO1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)Cl G597982
c1ccc2c(c1)c(c[nH]2)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N G597985
C(C[13C](=O)O)C[13C](=O)O G598002
CNc1ccc(cc1NC(=O)CCCC(=O)O)[N+](=O)[O-] G598050
[2H]C([2H])([2H])Nc1ccc(cc1NC(=O)CCCC(=O)O)[N+](=O)[O-] G598052
C1C[13C](=O)O[13C](=O)C1 G598072
C(C[13C]#N)C[13C]#N G598102
[2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])C#N G598103
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl G598350
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])NC(=O)NS(=O)(=O)c2ccc(cc2)CCNC(=O)c3cc(ccc3OC)Cl)([2H])[2H])([2H])[2H])[2H] G598352
C(C(CO)O)O G598400
[2H]C([2H])(C([2H])(C([2H])([2H])O)O)O G598402
C([C@H](C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O)O G598490
C([C@@H](C1[C@H]([C@@H](C([C@@H](O1)O)O)O)O)O)O G598495
C1CCC(CC1)N.C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)(O)O)O)O)O)O)O G598580
C1CCC(CC1)N.C(C(COP(=O)(O)O)O)O G598750
C1CCC(CC1)N.[13CH2]([13CH]([13CH2]OP(=O)(O)O)O)O G598752
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O G601490
[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC G601492
C(C(CI)O)O G601495
C(C1[C@@H]([C@@H](C([C@@H](O1)OC[C@@H](CO)O)O)O)O)O G601500
C(C1[C@@H]([C@@H](C([C@@H](O1)OC[C@H](CO)O)O)O)O)O G601505
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC G601520
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC G601535
C1C(O1)C(=O)N G615250
[13CH2]1[13CH](O1)[13C](=O)N G615253
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC1CO1 G615600
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[2H] G615602
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC1CO1 G615650
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[2H] G615652
C1C(O1)CO G615700
[2H]C1(C(O1)([2H])C([2H])([2H])O)[2H] G615702
CCCCCCCCCCCC(=O)OCC1CO1 G615705
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCC)[2H] G615707
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC1CO1 G615710
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[2H] G615712
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1CO1 G615720
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[2H] G615722
CCCCCCCCCCCCCC(=O)OCC1CO1 G615800
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCC)[2H] G615802
CCCCCCCC/C=C\CCCCCCCC(=O)OCC1CO1 G615930
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCC/C=C\CCCCCCCC)[2H] G615932
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]/[13CH]=[13CH]\[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)OCC1CO1 G615933
CCCCCCCCCCCCCCCC(=O)OCC1CO1 G615950
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC1CO1 G615952
[13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](=O)OCC1CO1 G615953
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC)[2H] G615954
c1cc(cc(c1)S(=O)(=O)OC[C@H]2CO2)[N+](=O)[O-] G615975
c1cc(cc(c1)S(=O)(=O)OC[C@@H]2CO2)[N+](=O)[O-] G615980
CCCCCCCCCCCCCCCCCC(=O)OCC1CO1 G615985
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC1CO1 G615987
[2H]C1(C(O1)([2H])C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC)[2H] G615988
C(C(=O)O)N G615990
[2H]C([2H])(C(=O)O[2H])N([2H])[2H] G615992
[13CH2]([13C](=O)O)[15NH2] G615993
c1ccc2c(c1)C(=O)N(C2=O)CC3CO3 G615995
Cc1ccc(cc1)S(=O)(=O)OC[C@H]2CO2 G616000
Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2CO2 G616001
c1ccc(cc1)COC(=O)CN.Cl G625000
Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)CN G625100
CC(C)(C)OC(=O)CN.Cl G625175
CCOC(=O)CN.Cl G625225
CCOC(=O)[13CH2]N.Cl G625227
CCO[13C](=O)[13CH2]N.Cl G625228
COC(=O)CN.Cl G625235
Cc1cccc(c1NC(=O)CN)C G625290
[2H]C([2H])([2H])c1cccc(c1NC(=O)CN)C([2H])([2H])[2H] G625292
COc1cc2c(cc1O)occ(c2=O)c3ccc(cc3)O G635400
COc1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)occ(c2=O)c4ccc(cc4)O G635410
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2cc3c(cc2OC)c(=O)c(co3)c4ccc(cc4)O)O)O)O G635420
COc1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)O)O)O)O)occ(c2=O)c4ccc(cc4)O G635425
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+] G641255
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)[O-])C)C)([2H])[2H])O.[Na+] G641257
C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+] G641270
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)[O-])C)C)([2H])[2H])OS(=O)(=O)[O-].[Na+].[Na+] G641272
C[C@H](CCC(=O)NCC(=O)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C G641350
[2H][C@]1(C(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NCC(=O)O)C)O)C)([2H])[2H])O G641352
C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C G641355
C(=O)C(=O)O.O G755000
[13CH](=O)[13C](=O)O.O G755002
C(C(=O)O)NCP(=O)(O)O G765000
C([15NH][13CH2][13C](=O)O)P(=O)(O)O G765002
c1cc(cnc1)C2[C@@H]3CC=C[C@@H]3c4cc(cc(c4N2)F)F G766500
C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O G766740
C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O G766750
CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@@H]6CCC(=O)N6 G767500
CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@@H]6CCC(=O)N6 G767502
CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC(=O)O G779500
Cn1c2ccccc2c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C.Cl G780000
[2H]C([2H])([2H])N1[C@@H]2CCC[C@H]1C[C@H](C2)NC(=O)c3c4ccccc4n(n3)C G780002
Cn1c2ccccc2c(n1)C(=O)N[C@@H]3C[C@H]4CCC[C@@H](C3)N4C G780010
C[C@@H]1CC(=O)CC(=O)[C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC G787490
C[C@@H]1CC(=O)C=C([C@]12C(=O)c3c(cc(c(c3O2)Cl)OC)OC)OC G787500
[2H][13C]([2H])([2H])Oc1cc(c(c2c1C(=O)[C@]3(O2)[C@@H](CC(=O)C=C3OC)C)Cl)OC G787502
c1cc(sc1S(=O)(=O)N[C@H](CO)C(C(F)(F)F)C(F)(F)F)Cl G797400
COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F G797500
c1cc2c(cc1F)c(c(c(=O)n2CCC3CC3)C(=O)NCC(=O)O)O G797600
Cn1cc(c2c1ncnc2N)c3ccc4c(c3)CCN4C(=O)Cc5cc(cc(c5)F)C(F)(F)F G797800
COc1ccccc1OCC(CO)O G810500
[2H]C([2H])([2H])Oc1ccccc1OCC(CO)O G810502
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1OC)O)O G810503
COc1ccccc1OCC2COC(=O)O2 G810515
[2H]C1(C(OC(=O)O1)([2H])C([2H])([2H])Oc2ccccc2OC)[2H] G810517
C1CCCN(CCC1)CCNC(=N)N G815000
c1cc(c(c(c1)Cl)CC(=O)NC(=N)N)Cl G816000
c1cc(c(c(c1)Cl)CC(=O)[15NH][13C](=[15NH])[15NH2])Cl G816002
C(=N)(N)N.Br G821230
C(=[15NH])([15NH2])[15NH].Br G821232
C(C(=O)O)NC(=N)N G821250
[13CH2]([13C](=O)O)NC(=N)N G821252
c1cc(ccc1C(=O)O)NC(=N)N.Cl G821300
c1cc(ccc1C(=O)Cl)NC(=N)N.Cl G821400
C(CSS(=O)(=O)CCNC(=N)N)NC(=N)N G825000
C(CS(=O)(=O)O)NC(=N)N G827500
c1cc2cnccc2c(c1)S(=O)(=O)NCCNC(=N)N.Cl G835000
C(CS(=O)(=O)O)SC(=N)NC(=N)N G835250
[2H]C([2H])(C([2H])([2H])S(=O)(=O)O)SC(=N)NC(=N)N G835252
Cc1ccc(cc1NC(=N)N)NC(=O)c2ccc(cc2)CN3CCN(CC3)C G835725
c1c(nc(s1)NC(=N)N)CSC(=N)N G835800
c1[nH]c2c(n1)c(=O)[nH]c(n2)N G836000
[13cH]1[nH][13c]2c([15n]1)c(=O)[nH]c(n2)N G836002
c1[nH][13c]2[13c]([15n]1)c(=O)[nH]c(n2)N G836003
c1nc2c(=O)[nH]c(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)N G837900
c1nc2c(=O)[15nH][13c](nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)[15NH2] G837902
CCN(CC)CC.c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)[nH]c(nc2=O)N G837950
c1nc2c(=O)[nH]c(nc2n1[13C@H]3[13C@@H]([13C@H]4[13C@H](O3)[13CH2]OP(=O)(O4)[O-])O)N.[Na+] G837963
[14cH]1nc2c(=O)[nH]c(nc2n1[C@H]3[C@H](C([C@H](O3)COP(=O)([O-])[O-])O)O)N.[NH4+].[NH4+] G838500
c1ccc2c(c1)OCC(O2)CNC(=N)N G839500
[2H]c1c(c(c2c(c1[2H])OCC(O2)CNC(=N)N)[2H])[2H] G839502
c1nc2c(n1CCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)c(=O)nc([nH]2)N G843800
[2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)n1cnc2c1c(=O)nc([nH]2)N G843802
c1(nc(nc(n1)NC(=N)N)N)N G844250
[13c]1(n[13c](n[13c](n1)N[13C](=N)N)N)N G844252
C(=NC(=O)N)(N)N.OS(=O)(=O)O G844500
CC(=O)[15N]=C([15NH2])[15NH2] G844502
C([C@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O)O G854995
C([C@@H]([C@@H]1C([C@H](C(=O)O1)O)O)O)O G855000
CC(=O)OC[C@H]([C@H]1[C@@H]([C@@H](C(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C G855005
C(C1[C@H]([C@H](C([C@@H](O1)O)O)O)O)O G855200
COC(=O)C1=CCCNC1.Br G876400
COC(=O)C1=CCCNC1.Br G876500
Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(c(c3)F)C(F)(F)F)C G930000
CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc(c(c3)Cl)/C=C/c4cccc(c4)C(=O)O G931000
Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C G931500
Cc1cc(ccc1OCC(=O)OC)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C G931510
CCCCCCCCCCCC1=[N+](CCc2c1ccc(c2)F)Cc3ccc(cc3)C(C)(C)C.[Br-] H005069
Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCNC[C@@H]3C H011520
Cc1cncc2c1c(ccc2)S(=O)(=O)N3CCCN(C[C@@H]3C)C(=O)CN H011530
B(c1ccc(cc1)COc2ccc(cc2)/C=C\3/C(=O)N(C(=O)S3)Cc4ccc(cc4)F)(O)O H011600
C1[C@H]([C@@H](C(C([C@H]1NC(=O)[C@H](CCN)O)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)N)O)N H011745
C1[C@H]([C@@H](C(C([C@H]1N)O[C@@H]2C(C([C@@H](C(O2)CN)O)O)O)O)O[C@@H]3C([C@H]([C@@H](C(O3)CO)O)NC(=O)[C@H](CCN)O)O)N H011750
c1c2cc(cc(c2c(cc1S(=O)(=O)O)N)O)S(=O)(=O)[O-].[Na+] H012500
c1ccc(cc1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CC(F)(F)F H101500
[2H]c1c(c(c(c(c1[2H])[2H])C2=NCC(=O)N(c3c2cc(cc3)Cl)CC(F)(F)F)[2H])[2H] H101502
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F H102000
CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)CCl H102300
CCCCN(CCCC)CCC(c1cc2c(cc(cc2Cl)Cl)c3c1ccc(c3)C(F)(F)F)O H102400
CC(C)(C)N(C(=O)c1ccccc1)NC(=O)c2ccc(cc2)Cl H102450
[2H]c1c(c(c(c(c1C(=O)NN(C(=O)c2ccccc2)C(C)(C)C)[2H])[2H])Cl)[2H] H102452
c1c2c(cc(c1Cl)Br)ncn(c2=O)CC(=O)CC3[C@@H](CCCN3)O.Br H102490
c1c2c(cc(c1Cl)Br)ncn(c2=O)CC(=O)CC3[C@@H](CCCN3)O.Cl H102500
c1c2c(cc(c1Cl)Br)ncn(c2=O)CC3(C[C@@H]4[C@H](O3)CCCN4)O H102505
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F H103100
COc1ccc2c(c1)CCCC2(c3ccc(cc3)OCc4ccccc4)O H103700
[2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)O)[2H])[2H])Cl)[2H] H103702
c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)F H103705
CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)c2ccc(cc2)F)c3ccc(cc3)Cl H103710
[2H]c1c(c(c(c(c1C2(CCN(CC2)CCCC(=O)c3ccc(cc3)F)OC(=O)CCCCCCCCC)[2H])[2H])Cl)[2H] H103712
c1cc(ccc1C(=O)CCC[N+]2(CCC(CC2)(c3ccc(cc3)Cl)O)[O-])F H103720
[2H]c1c(c(c(c(c1C2(CC[N+](CC2)(CCCC(=O)c3ccc(cc3)F)[O-])O)[2H])[2H])Cl)[2H] H103722
c1ccc(c(c1)C23c4cc(ccc4NC(=O)CN2CCO3)Br)F H104000
[2H]C1(C(OC2(N1CC(=O)Nc3c2cc(cc3)Br)c4ccccc4F)([2H])[2H])[2H] H104002
Cc1c2c(ccn1)c3ccccc3[nH]2 H105000
Cc1c2c([13cH][13cH][15n]1)c3ccccc3[nH]2 H105002
[2H]C([2H])([2H])c1c2c(ccn1)c3ccccc3[nH]2 H105003
c1ccc2c(c1)c3c([nH]2)C4CCCN4CC3 H105200
Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC H105250
[2H]C([2H])([2H])Oc1ccc2c3ccnc(c3[nH]c2c1)C H105252
CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O H105285
CN(C)C(=[N+]1c2cccnc2[N+](=N1)[O-])N(C)C.F[P-](F)(F)(F)(F)F H105800
CC(C)c1ccc(cc1)NC(=O)Cn2cnc3c2c(=O)n(c(=O)n3C)C H115000
C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)O H129990
c1ccc(c(c1)C=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O H235000
CCCCCCCCCCCCCCCCCCCCC H245500
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O H245600
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OCC H245610
CCCCCCCCCCC[C@@H](C/C=C/CCCCCC)O H245750
c1c2c(c(c(c1Cl)Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 H265000
c1c2c3c(c(c(c(c3Cl)Cl)Cl)Cl)oc2c(c(c1Cl)Cl)Cl H265080
c1c2c(c3c(o2)c(c(c(c3Cl)Cl)Cl)Cl)c(c(c1Cl)Cl)Cl H265085
c1c2c(c3c(o2)cc(c(c3Cl)Cl)Cl)c(c(c1Cl)Cl)Cl H265090
[C@@H]12[C@@H]([C@H]([C@@H]3[C@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl H265700
[C@@H]12[C@@H]([C@H]([C@H]3[C@@H]1O3)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl H265705
CCCCCCCCCCCCCCC/C=C\CC/C=C\CCCCCC H268500
C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+] H268700
CCCCCCCCCCCCCCCC(=O)C H278800
CCCCCCCCCCCCCCCCCBr H279000
CC/C=C/C=C/CO H280000
CC/C=C/C=C/CP(=O)(c1ccccc1)c2ccccc2 H281000
c1ccc(cc1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F H281050
c1cn(cn1)C(=O)C(C(C(F)(F)F)(F)F)(F)F H281060
CC(=O)O[C@H]1[C@H]2[C@H](O[C@@H]([C@@H]1OC(=O)C)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H](C4OC(=O)C)OC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OC(=O)C)OC(=O)C)O[C@@H]6[C@H](O[C@@H]([C@@H](C6OC(=O)C)OC(=O)C)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC(=O)C)OC(=O)C)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8OC(=O)C)OC(=O)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C H281090
CO[C@@H]1[C@H]2[C@H](O[C@@H]([C@@H]1OC)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC)OC)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OC)OC)O[C@@H]5[C@H](O[C@@H]([C@@H](C5OC)OC)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@@H]6OC)OC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8OC)OC)CO)CO)CO)CO)CO)CO)CO H281095
CC1[C@H](O[C@H]([C@@H]([C@@H]1OC)OC)OC)COS(=O)(=O)[O-].[Na+] H281100
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@@H]3OC)OC)O[C@@H]4[C@H](O[C@@H]([C@@H](C4OC)OC)O[C@@H]5[C@H](O[C@@H]([C@@H](C5OC)OC)O[C@@H]6[C@H](O[C@@H]([C@@H](C6OC)OC)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC)OC)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8OC)OC)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)OC)OC H281105
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H]2[C@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H](C5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H](C7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8O)O)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)O)O H281110
C([C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H](C3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H](C4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H](C6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H](C7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H](C8O)O)COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] H281125
CC(=O)O[C@H]1[C@H]2[C@H](O[C@@H]([C@@H]1OC(=O)C)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@@H]3OC(=O)C)OC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H](C4OC(=O)C)OC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OC(=O)C)OC(=O)C)O[C@@H]6[C@H](O[C@@H]([C@@H](C6OC(=O)C)OC(=O)C)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@@H]7OC(=O)C)OC(=O)C)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@@H]8OC(=O)C)OC(=O)C)COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-])COS(=O)(=O)[O-].c1cc[nH+]cc1 H281135
[2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H281142
CCCCCCCCCCCCCCCCC(=O)OCC(CCl)O H281150
CCCCCCC(=O)NCC(=O)O H281155
CC1(C(=O)NC(=O)NC1=O)c2ccccc2 H281165
[2H]C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccccc2 H281167
CC(CCCC(C)(C)O)N.Cl H281170
CC(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@H]5C=C[C@@H]4OC(=O)C)C H281180
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)OC(=O)C)OC(=O)C H281182
[2H][C@H]1C([C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@@H](C5)N1C([2H])([2H])[2H])OC(=O)C)OC(=O)C)([2H])[2H] H281183
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(c(c5)O)OC)O)O)O)O)O)O)O H281185
C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl H281190
CCCCCC(=O)NCC(=O)O H281200
CCCCCC(=O)ON1C(=O)CCC1=O H281215
CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O H281225
[2H][13C]([2H])([13C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCC)O H281227
CCCCCCC(=O)N1[C@H](COC1=O)C(C)C H281250
C=CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCC=C H281385
C1CC(=O)N(C1=O)OC(=O)COCCOCCOCCOCCOCCOCCOCC(=O)ON2C(=O)CCC2=O H282100
CCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl H283000
B(c1ccc2ccc(cc2c1)CCCCCCC)(O)O H285500
CCCCCCCS[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O H288000
CCCCC#CCSc1ccccc1OC(=O)C H288500
[2H]C([2H])([2H])Oc1ccc(cc1O)C2CC(=O)c3c(cc(cc3O2)O)O H289502
COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O H289510
CC(=O)Oc1cc2c(c(c1)OC(=O)C)C(=O)C[C@H](O2)c3ccc(c(c3)OC(=O)C)OC H289520
CC(=O)Oc1cc(ccc1OC)[C@@H]2CC(=O)c3c(cc(cc3OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C)O2 H289530
CC(=O)N[C@H]1CO[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CO.CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)OC)O H290750
C(C(Br)(Br)Br)(Br)(Br)Br H290755
c1c2c(cc(c1Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2 H290780
c1c2c(c(c(c1Cl)Cl)Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl H290785
c1c2c(c(c(c1Cl)Cl)Cl)Oc3c(cc(c(c3Cl)Cl)Cl)O2 H290790
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl H290810
c1ccc(cc1)C2CC3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl H290820
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O H290910
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O H290930
CCC/C=C/C=C/CCCCCCCCC=O H290950
CCC/C=C/C=C/CCCCCCCCCO H290955
CCCCCCCCCCCCCCCC=O H290965
CCCCCCCCCCCCCCCC(=O)Nc1cc2c(cc(=O)oc2cc1O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C H290980
CCCCCCCCCCCCCCCC(=O)Nc1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)O)O H290990
Cc1ccc(cc1)S(=O)(=O)N2CCCN(C[C@@H]2C)C(=O)OC(C)(C)C H291045
COc1ccc(c(c1OC)OC)CN2CCN(CC2)Cc3ccc(c(c3OC)OC)OC H291150
c1ccnc(c1)SSCCC(=O)NCCCCCCNC(=O)CCSSc2ccccn2 H291250
C[C@@H](CC[C@H](C)O)O H292150
CC(=O)CCC(=O)C H292490
CC(=O)CCC1(OCCO1)C H292500
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC.O H293000
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC.O H293500
CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)OCCBr)OC H293510
CCCCCCCCCCCCCCC(=O)C H293550
CCCCC(Cn1cncn1)(c2ccc(cc2Cl)Cl)O H293555
CCCCCCCCCCCCC/C=C/C(=O)OCC H293560
CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1OP(=O)(O)OCC[N+](C)(C)C)[N+](=O)[O-].[OH-] H293580
CCCCCCCCCCCCC/C=C/C=O H293650
CCCCCC/C=C\CCCCCCCC=O H293660
CCCCC/C=C/CCCCCCCCC=O H293670
CCCCCCCCCCCCCCCCSS(=O)(=O)C H293825
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] H293860
COc1cc2c3c(c1Br)CN(CC[C@]34C=CC(=O)CC4O2)C=O H293900
COc1cc2c3c(c1Br)CN(CC[C@]34C=C(C(=O)CC4O2)Br)C=O H293930
C[C@H](CI)[C@@H]1CC[C@@]2(C1CCC=C2OS(=O)(=O)C(F)(F)F)C H293940
C[C@H](CCCC(=O)OC)[C@@H]1CC[C@@]2(C1CCC=C2OS(=O)(=O)C(F)(F)F)C H293950
CC1(CCC(NCC1)c2ccncc2)C.Cl H293955
CCC1CCCCCN1.Cl H293965
C1CO[C@@H]2[C@H]1[C@H](CO2)O H293985
C1CO[C@@H]2[C@H]1[C@@H](CO2)O H293990
C1CO[C@H]2[C@@H]1[C@@H](CO2)O H293995
C[C@]12CCC(=O)C[C@]1(CCC2=O)O H294025
CCCCCCCC(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c3ccc(cc3)c4ccccc4 H294035
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1CC(=O)O2)OC(=O)c3ccc(cc3)c4ccccc4 H294037
COc1ccc2c(c1)[C@@H]3[C@@H](CC2)NC(=O)CO3 H294150
c1cc(sc1)CC2CCCCCN2.Cl H294155
c1ccc(c(c1)CC2CCCCNC2)OC(F)(F)F H294160
c1cc(cc(c1)OC(F)(F)F)CC2CCCCNC2 H294165
C1C[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3C1 H294170
c1cc(cc(c1)C(F)(F)F)C2CCCCCN2.Cl H294175
c1cc2c(cc1O)CC(=O)O2 H593410
C(CC(C(=O)O)N)CC(=O)N H593490
C(C[C@@H](C(=O)O)N)CC(=O)N H593500
CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O H596500
[2H][13C]([2H])([2H])OC1=C[C@]23CCCN2CCc4cc5c(cc4[C@@H]3[C@@H]1OC(=O)[C@@](CCCC(C)(C)O)(CC(=O)OC)O)OCO5 H596502
c1c([nH]cn1)CC[C@@H](C(=O)O)N H597490
c1c([nH]cn1)CCC(C(=O)O)N H597500
C1CSSC1CCCCCC(=O)O H598500
c1ccc(cc1)CC[C@@H](C(=O)O)N H600500
C1CN(CCN(C1)CCS(=O)(=O)O)CCS(=O)(=O)O H601500
CCC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C H602910
CCC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@@H](CC(=O)[O-])O)O)O.[Na+] H603000
C1CC(NC1)CC(=O)O H605000
C(CO)C(C(=O)O)N H615000
C(CO)[C@@H](C(=O)O)N H615010
C1COC(=O)[C@H]1N.Cl H615100
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)n(n1)C H615150
[2H]C([2H])([2H])C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(nn4C)CCC)OCC H615152
C(CCNCCCCN)CN H625000
[2H]C([2H])(CCCNCCCC([2H])([2H])N)N H625002
CCOc1ccccc1OCCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC H653500
C(CN)CS(=O)(=O)O H656200
C(CN(CC(=O)O)CC(=O)O)CS(=O)(=O)O H656210
CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)O H656560
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)OC)O H656565
c1ccc2c(c1)c(c[nH]2)CCC(C(=O)O)N H657000
c1cc(ccc1CC[C@@H](C(=O)O)N)O.Br H668000
COc1cc(ccc1O)CC(=O)O H669500
c1cc(cc(c1)C(F)(F)F)CC2CCCCNC2 H294180
C[C@H]1CN(CCCN1)C(=O)OC(C)(C)C H294185
C=C1CO[C@H]2[C@@H]1CCO2 H294190
[2H]C1(CCC(=O)OC1([2H])C([2H])([2H])[2H])[2H] H294197
C[C@H]1[C@@H]2[C@H]([C@@H](CN1)O)OC(O2)(C)C H294200
c1cc(ccc1C(=N)N)OCCCCCCOc2ccc(cc2)C(=N)N H294205
[2H]C([2H])(C([2H])([2H])C([2H])([2H])C([2H])([2H])Oc1ccc(cc1)C(=N)N)C([2H])([2H])C([2H])([2H])Oc2ccc(cc2)C(=N)N H294207
C(CCCN(CC(=O)O)CC(=O)O)CCN H294210
C[Si](C)(C)O[Si](C)(C)C H294215
C1N2CN3CN1CN(C2)C3 H294220
[2H]C1(N2C(N3C(N1C(N(C2([2H])[2H])C3([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H] H294222
CN(C)P(N(C)C)N(C)C H294225
C1CCCNCC1 H294235
[2H]C(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H294242
CS(=O)(=O)SCCCCCCSS(=O)(=O)C H294250
C[C@H]1CCCC(=O)O1 H294410
CCCCCC(=O)Oc1ccc(cc1)c2coc3cc(ccc3c2=O)O H294450
C=CCCCCCCCCCOCCOCCOCCOCCOCCOCCO H294675
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSS(=O)(=O)C H294775
C(CO)/C=C/CCO H294900
CCC/C=C/C(=O)OCC/C=C\CC H294950
C/C=C\CCCO H295000
CC[C@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O H295300
[2H]C([2H])([2H])CC(c1ccc(cc1)O)C(CC([2H])([2H])[2H])c2ccc(cc2)O H295302
[2H]C([2H])(C)C(c1ccc(cc1)O)C(c2ccc(cc2)O)C([2H])([2H])C H295303
CN(CCCOC(=O)c1cc(c(c(c1)OC)OC)OC)CCN(C)CCCOC(=O)c2cc(c(c(c2)OC)OC)OC H295450
[2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(c(c(c2)OC([2H])([2H])[2H])OC([2H])([2H])[2H])OC([2H])([2H])[2H] H295452
CCCCCCc1ccc(cc1)C(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-] H295625
CCCCCCN\1c2ccccc2S/C1=C\C=C\c3cc[n+](c4c3cccc4)C.[I-] H295650
CCCCCCn1cc(cc1Br)C(=O)c2cccc3c2cccc3 H295670
CCCCCCn1ccc(c1Br)C(=O)c2cccc3c2cccc3 H295675
CCCCCCCCC(CCCCCC)CO H295710
[2H]C([2H])([2H])CCCCCCCC(CCCCCC)CO H295712
CCCCCCCCCCC[C@H]1CC=C(C(=O)O1)CCCCCC H295800
CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)O H295850
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[C@@H]([C@H](C[C@H](CCCCCCCCCCC)O)O)C(=O)O H295852
CCCCCCO[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O H296000
CCCCCCOC(=O)C=O H296500
CCCCCCCCCCC[C@H](CC1[C@@H](C(=O)O1)CCCCCC)O H296530
CCCCCCCCCCC[C@@H](CC1[C@@H](C(=O)O1)CCCCCC)O H296535
CCCCCCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 H296800
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 H296802
CCCCCCn1ccc(c1)C(=O)c2cccc3c2cccc3 H296900
CCCCCCSS(=O)(=O)C H297150
CCCCCC/C(=C(\C)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] H297160
[2H]C([2H])([2H])/C(=C(\CCCCCC)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+] H297162
CCCCCCC1=C(C(=O)OC1=O)C H297170
[2H]C([2H])([2H])C1=C(C(=O)OC1=O)CCCCCC H297172
CCCCCCn1cc(cc1c2ccccc2)C(=O)c3cccc4c3cccc4 H297400
[2H]c1c(c(c(c(c1[2H])[2H])c2cc(cn2CCCCCC)C(=O)c3cccc4c3cccc4)[2H])[2H] H297402
CCCCCCOc1c(cc(c(c1C)C)OC(=O)C(C)(C)C)C H297775
CCCCCCCCCCC[C@H]1C[C@@H]([C@@H](C(=O)O1)CCCCCC)O H297900
CCCCCCS[C@H]1C([C@H]([C@@H](C(O1)CO)O)O)O H298000
CCCCCCCCCCC[C@@H](CC1[C@@H](C(=O)O1)CCCCCC)O[Si](C(C)C)(C(C)C)C(C)C H324950
CCCCCCOc1cc(c(c(c1C)C)O)C H325000
CCCCC#Cc1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)C(=O)NCC)O)O)N H325500
c1ccc(cc1)C(=O)NCC(=O)O H356700
c1c([nH]cn1)CCN H436500
[2H]C([2H])(c1cnc[nH]1)C([2H])([2H])N H436502
c1ccc(cc1)CN(CCN2CCCC2)c3ccccc3 H443500
[2H]c1c(c(c(c(c1[2H])[2H])N(CCN2CCCC2)Cc3ccccc3)[2H])[2H].Cl H443502
[13cH]1[13c]([15nH][13cH][15n]1)[13CH2][13CH]([13C](=O)O)[15NH2] H456002
c1c([nH]cn1)C[C@@H](C(=O)O)N H456010
COC(=O)[C@H](Cc1cnc[nH]1)N H456020
[2H]C([2H])([2H])NCCc1ccccn1 H456152
c1c([nH]cn1)C[C@@H](CO)N H456300
CC1(C=C(C(N1O)(C)C)CON)C H456400
C[n+]1ccccc1C(=O)[O-] H458500
[2H]C([2H])([2H])[n+]1ccccc1C(=O)[O-] H458502
CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(c3ccccc3)O.Br H459200
C(CCNC(=N)N)C[C@@H](C(=O)O)N.Cl H585000
[2H]C([2H])(C[C@@H](C(=O)O)N)C([2H])([2H])CNC(=N)N H585002
CC[C@H]([C@@H]([C@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C H589500
C[C@H](CCCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C H589800
[2H]C([2H])([2H])C(CCCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)(C([2H])([2H])[2H])O H589802
CC[C@@H]([C@H]([C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C H590200
C1CSC(=O)C1N.Cl H591300
C(CSSCC[C@@H](C(=O)O)N)[C@@H](C(=O)O)N H591360
COc1ccc(cc1OC)c2cc3cc(cc(c3o2)OC)CCCO H592500
COc1ccc(cc1OC)c2cc3cc(cc(c3o2)OC)CCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O H592510
c1ccc2c(c1)Nc3cc4=Nc5ccccc5Nc4cc3=N2 H592850
c1cc(c(cc1O)CC(=O)O)O H593400
[13cH]1[13cH][13c]([13c]([13cH][13c]1O)CC(=O)O)O H593402
[2H]C([2H])([2H])Oc1cc(ccc1O)CC(=O)O H669502
CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)CC(=O)O H669503
COc1cc(ccc1OS(=O)(=O)[O-])CC(=O)[O-].[Na+].[Na+] H669505
[2H]C([2H])([2H])Oc1cc(ccc1OS(=O)(=O)[O-])CC(=O)[O-].[Na+].[Na+] H669507
COc1ccc(cc1OC)CC(=O)O H669520
COc1cccc(c1OC)CC(=O)O H669525
COc1ccc(cc1OC)CC#N H669530
COc1ccc(cc1OC)CCN H669540
CN(C)CCc1ccc(cc1)O H669600
[2H]C([2H])([2H])N(CCc1ccc(cc1)O)C([2H])([2H])[2H] H669602
CC1=C(C(C2=C(N1)CC(CC2=O)c3ccccc3OC)c4cccc(c4)O)C(=O)OCCOC.O H671250
CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(C)C)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C H671800
CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)CO)(C)C)O H673500
[2H]C([2H])([2H])C(CCCCCC)(c1cc(c2c(c1)OC([C@H]3[C@H]2CC(=CC3)CO)(C)C)O)C([2H])([2H])[2H] H673502
CCCCCCC(C)(C)c1cc(c2c(c1)OC([C@H]3[C@H]2C[C@@H](CC3)CO)(C)C)O H673510
[2H]C([2H])([2H])C(CCCCCC)(c1cc(c2c(c1)OC([C@H]3[C@H]2C[C@@H](CC3)CO)(C)C)O)C([2H])([2H])[2H] H673512
CCCCCCC(C)(C)c1cc(c(c(c1)OC)[C@H]2C=C([C@H]3C[C@@H]2C3(C)C)CO)OC H673525
CC1(CCC(c2c1cc3c(c2)Sc4ccccc4N=C3c5ccc(cc5)C(=O)O)(C)C)C H674250
[2H]c1c(c(c(c(c1C2=Nc3ccccc3Sc4c2cc5c(c4)C(CCC5(C)C)(C)C)[2H])[2H])C(=O)O)[2H] H674252
CCOC(=O)[13CH2][15NH]C(=O)N H674882
C1C(=O)NC(=O)N1 H675000
[13CH2]1[13C](=O)NC(=O)[15NH]1 H675002
[13CH2]1C(=O)NC(=O)[15NH]1 H675003
CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675690
[2H]C([2H])([2H])N1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675692
CN1CCc2cc3c(cc2[C@H]1[C@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675700
CN1CCc2cc3c(cc2[C@@H]1[C@@H]4c5ccc(c(c5C(=O)O4)OC)OC)OCO3 H675701
CC(=O)ONN H685000
[13C](=O)([15NH2])NN[13C](=O)[15NH2] H697560
c1nc2c(nc(nc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)NN)N H710000
[2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])NN)[2H].Cl H710152
CC(Cc1ccc(c(c1)OC)O)(C#N)NN H713025
[2H]C([2H])([2H])C(C#N)(C([2H])([2H])c1ccc(c(c1)OC)O)NN H713027
c1c(ncnc1O)NN H713750
CS(=O)(=O)NCc1ccc(cc1)NN.Cl H714350
Cc1cc/c(=N\N)/[nH]c1 H714500
c1ccc2c(c1)cnn\3c2n[nH]/c3=N\N H714530
CCOC(=O)c1ccc(cc1)C(C)NN.c1ccc(cc1)S(=O)(=O)O H714535
CNS(=O)(=O)CCc1ccc(cc1)NN.Cl H714540
c1cc(ccc1Cn2cncn2)NN H714545
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2 H714560
[2H][13C]1(Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl)[2H] H714562
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)C=O)O)C)O.O H714580
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]24[C@@H](O4)C[C@]5([C@H]3CC[C@@]5(C(=O)CO)O)C H714590
c1ccc(cc1)CCC(=O)O H714595
c1ccc(cc1)CCC(=O)ON2C(=O)CCC2=O H714600
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CCC3[C@@H]1C5)OC H714610
[2H]C([2H])([2H])Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@@H](C2)C5CCC4=O)C H714611
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CCC3[C@@H]1C5)OC([2H])([2H])[2H] H714612
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O H714615
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O H714620
CCCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O H714625
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)C H714628
c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F H714630
[2H][13C]1(Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)C(F)(F)F)[2H] H714632
CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO H714635
COC(=O)CC(=O)[O-].[K+] H714640
CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC)C)O)C)C(=O)CO H714645
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@@H]1C5)O.Cl H714650
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5)O.Cl H714652
CCCC1(OCC(=O)[C@@]2(O1)CC[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)O)C)OC H714655
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@](CC[C@H]3[C@H]1C5)([C@H]6C[C@@H]7[C@@H]8Cc9ccc(c1c9[C@]7(CCN8C)[C@@H](C6=O)O1)O)O)O H714660
CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)CC H714665
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@@H]1C5)OS(=O)(=O)O H714670
C1COP(=O)(NC1OO)N(CCCl)CCCl H714675
[2H]C([2H])(CN(CC([2H])([2H])Cl)P1(=O)NC(CCO1)OO)Cl H714677
C[C@]12C[C@@H]([C@H]3[C@H](C1CC[C@@]2(C(=O)COC(=O)CCC(=O)[O-])O)CCC4=CC(=O)CCC34C)O.[Na+] H714680
C[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5)O)[O-] H714685
[2H]C([2H])([2H])[N@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5)O)[O-] H714687
CC[NH+](CC)CC.CC1(CC(CC(N1[O-])(C)C)OP(=O)O)C H714705
c1cc(ccc1O)O H714715
CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3cc(ccc3oc2=O)O)O H714725
CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(c3ccc(cc3oc2=O)O)O H714730
CC(=O)Nc1ccc(c(c1)O)O H714750
[2H]C([2H])([2H])C(=O)Nc1ccc(c(c1)O)O H714752
C(C(=O)NN)O H715400
c1cc(ccc1C[C@H]2COC(=O)N2)NN H716490
c1ccc2c(c1)cnnc2NN.Cl H716531
c1ccc2c(c1)c[15n][15n]c2[15NH][15NH2].Cl H716532
C/C(=N\Nc1c2ccccc2cnn1)/C(=O)O H716550
C/C(=[15N]\[15NH]c1c2ccccc2c[15n][15n]1)/C(=O)O H716552
c1ccc(c(c1)CC(=O)OCC(=O)O)Nc2c(cc(cc2Cl)O)Cl H726500
CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CCO)n(n1)C H739940
CC(=O)c1ccc(cc1)O H739980
[2H]c1c(c(c(c(c1[2H])C(=O)C([2H])([2H])[2H])O)[2H])[2H] H740000
C/C(=N\O)/c1ccccc1O H741000
[2H]c1c(c(c(c(c1[2H])/C(=N/O)/C)O)[2H])[2H] H741002
C/C(=N\OC(=O)C)/c1ccccc1O H741025
[2H]c1c(c(c(c(c1[2H])/C(=N/OC(=O)C)/C)O)[2H])[2H] H741027
C/C(=N\O)/c1ccc(cc1)O H741050
CC(=O)Nc1ccc-2c(c1)Cc3c2ccc(c3)O H750000
CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@H](C5=CC(=O)C=C[C@@]54C)O)F)O)C)OC(O2)(C)C H750010
COc1ccc(cc1)O H750015
C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C=CC4=O)C)O H750020
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O H750025
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750030
[2H]C([2H])([2H])C(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750032
CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750035
[2H]C([2H])([2H])C(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@H]34)O)C)C#C H750037
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@]2(C#C)O)O)CCC4=CC(=O)CC[C@H]34 H750040
COc1ccc(cc1[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)O)c5ccc6cc(ccc6c5)C(=O)O H750045
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@]34O H750050
c1nc(c2c(n1)[nH]c(n2)O)N H750060
CC(C)(C)NCC(c1cc(c(c(c1)O)O)CO)O H761400
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)O)O)CO)O H761402
c1ccc(cc1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO H761500
c1ccc(cc1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H761510
c1ccc(cc1)c2ccc(cc2)NO H767500
Cc1cc2c(cccn2)c3c1n(c(n3)NO)C H775000
Cc1cnc2ccc3c(c2n1)nc(n3C)NO H775100
[2H]C([2H])([2H])n1c2ccc3c(c2nc1NO)nc(cn3)C H775102
C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CCC4C5CC=C6C[C@H](CC[C@@]6(C5CC4=C3C)C)O)C)N(C1)CCNC(=O)CCCCCNC(=O)CCc7ccccc7 H776000
Cn1c2ccc3c(c2nc1NO)cccn3 H785000
Cn1c2cc(c3c(c2nc1N)cccn3)O H785015
[2H]C([2H])([2H])n1c2cc(cnc2nc1O)c3ccccc3 H791777
c1ccc2c(c1)c3ccncc3n2c4ccc(cc4)NO H795000
[2H]c1c(c(c(c(c1NO)[2H])[2H])n2c3ccccc3c4c2cncc4)[2H] H795002
C(CNO)CP(=O)(O)O H797200
c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2c(nc3c(n2)c(nc(n3)N)N)O H797250
C(C(C(=O)NO)S(=O)(=O)[O-])C(=O)O.[Na+] H797290
CCC1(C(=O)NC(=O)N(C1=O)O)CCC(C)C H797500
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Oc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H797800
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Oc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H797802
c1cc2c(cc1O)N=C(c3cc(ccc3O2)Cl)N4CCNCC4 H797805
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H797807
CC(Cc1cccc(c1)O)N.Br H797900
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1cccc(c1)O)N.Br H797902
c1cc(c(c2c1N=C3NC(=O)C(N3C2)O)Cl)Cl H798300
c1cc(c(c2c1N=[13C]3N[13C](=O)[13CH](N3C2)O)Cl)Cl H798302
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C H801400
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34CO H801500
[2H]C([2H])([C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O H801502
CNc1ccc(c2c1C(=O)c3ccccc3C2=O)NCCO H825260
CC(Cc1cccc(c1)C(F)(F)F)NCCO.Cl H825265
[2H]C([2H])(C([2H])([2H])O)NC(C)Cc1cccc(c1)C(F)(F)F.Cl H825267
[2H]C([2H])(C([2H])([2H])O)N1CCNCC1 H825272
CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O H830350
[2H]C1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H830352
CC(c1cccc2c1oc(c2)C(CNC(C)(C)C)O)O H830480
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NCC(c1cc2cccc(c2o1)C(C)O)O H830482
C[C@@H]1[C@](OCC(N1)(C)C)(c2cccc(c2)Cl)O H830665
C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O H830670
c1cc(cc2c1ccc(=O)o2)OS(=O)(=O)[O-].[K+] H924890
c1c[13c]2[13cH][13cH][13c]([13cH][13c]2oc1=O)OS(=O)(=O)[O-].[K+] H924892
CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccc3ccc(=O)oc3c2)C(=O)OC)OC(=O)C H924895
C(/C=C/C(=O)O)O H925000
CN(C)CC/C=C\1/c2ccccc2C=Cc3c1cc(cc3)O H926000
[2H]c1c(c(c(c(c1[2H])O)N)C(=O)O)[2H] H801792
c1cc(c(cc1O)C(=O)O)N H801800
c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CC[C@H](C4)O)C#N.Cl H802100
c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CC[C@@H](C4)O)C#N.Cl H802105
c1cc(c(nc1)NCc2ccncc2)C(=O)Nc3ccc(cc3)C4(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C#N H802110
Cc1cc(ccc1O[C@H](CCNC)c2ccccc2)O H802500
[2H]C([2H])([2H])NCC[C@H](c1ccccc1)Oc2ccc(cc2C)O H802502
Cc1cc(ccc1O[C@H](CCNC)c2ccccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H802510
[2H]C([2H])([2H])NCC[C@H](c1ccccc1)Oc2ccc(cc2C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H802512
C[C@@H]1CC[C@H]2[C@H](C(=O)N([C@H]3C24[C@H]1CCC(O3)(OO4)C)O)C H804500
c1cc2c(nc1)n(nn2)O H805070
CC(C)N1C(=O)c2cc(ccc2NS1(=O)=O)O H806500
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N1C(=O)c2cc(ccc2NS1(=O)=O)O H806502
c1cc(ccc1C(=N)N)O.Cl H807525
CN(C)C(=O)COC(=O)Cc1ccc(cc1)O H807800
[2H]C([2H])([2H])N(C(=O)COC(=O)Cc1ccc(cc1)O)C([2H])([2H])[2H] H807802
[2H]c1c(c(c(c(c1C(=O)O)[2H])[2H])O)[2H] H808452
c1ccc(c(c1)C(=O)Oc2ccc(cc2)CCl)O H808460
c1cc2c(cc1O)OCCO2 H808475
CC(=O)Oc1ccc2c(c1)OCCO2 H808485
CC(Cc1ccc(cc1)O)N(C)Cc2ccccc2 H808500
[2H]C([2H])([2H])C([2H])(C([2H])([2H])c1ccc(cc1)O)N(C)Cc2ccccc2 H808502
c1ccc(c(c1)CN)O H809725
c1cc(ccc1CN)O H809735
c1cc(ccc1C[C@@H](CC[C@@H](c2ccc(cc2)F)O)C(=O)Nc3ccc(cc3)F)O H809740
CC(C)n1cnc2c1nc(nc2NCc3ccccc3O)NCCCO H809750
Cc1ccc(cc1)S(=O)(=O)N[C@@H](C)CNCCCO H809770
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(CC(C2(C)C)O)(C)C H817500
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(=O)O)C(C(CC2(C)C)O)(C)C H817505
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)C=C[C@]34C)O H818100
CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3C(c6c5c(c(cc6)O)O4)O)CC7CC7)OC)O H818500
[2H]C1(CC1)C([2H])([2H])N2CC[C@]34c5c6ccc(c5O[C@H]3[C@]7(CC[C@]4([C@H]2C6O)C[C@@H]7C(C)(C(C)(C)C)O)OC)O H818502
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O[Si](C)(C)C(C)(C)C)O)N5CCCCC5 H824625
CC(C)NC(=O)OCC(C)(CC(C)O)COC(=O)N H824800
[2H]C([2H])(C(C)(CC(C)O)C([2H])([2H])OC(=O)NC(C)C)OC(=O)N H824802
CCCC(c1cc2ccccc2o1)O H824920
C(CCO)CC1C(=O)NC(=O)N1 H825000
CC(C)(/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O)O H825025
[2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(C)(C)O H825027
CC(CO)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O H825030
[2H]C([2H])([2H])Oc1cc(ccc1O)CNC(=O)CCCC/C=C/C(C)CO H825032
CC1(C(c2cccc(c2O1)OC(=O)NC)O)C H825040
[2H]C([2H])([2H])NC(=O)Oc1cccc2c1OC(C2O)(C)C H825042
COc1ccccc1OCCNCC(COc2c(ccc3c2c4ccccc4[nH]3)O)O H825050
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1c(ccc2c1c3ccccc3[nH]2)O)O)NCCOc4ccccc4OC H825052
c1cc(ccc1/C=C\C(=O)O)O H825070
CC(=O)c1cccc(c1O)Cl H825100
c1ccc(c(c1)C2=NC(C(=O)Nc3c2cc(cc3)[N+](=O)[O-])O)Cl H825110
CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)C(CCl)O)n(n1)C H825115
c1c2c(cc(c1Cl)O)oc(=O)[nH]2 H825120
[13cH]1[13c]2[13c]([13cH][13c]([13c]1Cl)O)oc(=O)[nH]2 H825122
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=CC(=O)CC[C@]34C)O)C H825125
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=CC(=O)CC[C@]34C)O)C)C([2H])([2H])[2H] H825127
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C H825130
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C)C([2H])([2H])[2H] H825132
c1cc2c(cc(=O)oc2cc1O)CC(=O)O H825135
c1cc(c(nc1)O)C#N H825140
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C H825145
COC(=O)C1(CC1)O H825150
CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C5CC5[C@]34C)Cl)C)O)O H825155
CC(=O)[C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O)OC(=O)C H825160
C1CCC(CC1)C(O)S(=O)(=O)O.[NaH] H825165
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])([2H])C(O)S(=O)(=O)O)([2H])[2H])([2H])[2H])[2H].[NaH] H825167
[2H]C1(CC(=O)CC(C1O)([2H])[2H])[2H] H825172
c1cc(ccc1c2ccc(o2)/C=N/N3C(C(=O)NC3=O)O)[N+](=O)[O-] H825175
[2H]c1c(c(c(c(c1c2ccc(o2)/C=N/N3C(C(=O)NC3=O)O)[2H])[2H])[N+](=O)[O-])[2H] H825177
c1ccc(cc1)C(c2ccccc2)(C3CCN(C3)CCc4ccc5c(c4)C(CO5)O)C(=O)N H825190
Cc1cc(cc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl)O H825200
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O H825205
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O H825206
c1c2c(cc(c1O)N3CCNCC3)n(cc(c2=O)C(=O)O)C4CC4 H825210
Cc1cc[n+](c2c1cccc2)CCO.[Br-] H825215
Cc1c(c(c2c(n1)COC2=O)c3ccccc3[N+](=O)[O-])C(=O)OC H825220
c1ccc(c(c1)CC(=O)O)Nc2c(cc(cc2Cl)O)Cl H825225
[2H]c1c(c(c(c(c1[2H])CC(=O)O)Nc2c(cc(cc2Cl)O)Cl)[2H])[2H] H825227
c1c(cc(c(c1Cl)N[13c]2[13cH][13cH][13cH][13cH][13c]2CC(=O)O)Cl)O H825228
c1cc(c(c(c1)Cl)Nc2ccc(cc2CC(=O)O)O)Cl H825230
CN1CC[C@@]23CCCC[C@H]2[C@@H]1[C@@H](c4c3cc(cc4)OC)O H825235
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1[C@H](c4c3cc(cc4)OC)O.Cl H825236
Cc1cc(c(nc1C)O)C#N H825240
Cn1c(cnc1CO)[N+](=O)[O-] H825245
[2H]C([2H])([2H])n1c(cnc1CO)[N+](=O)[O-] H825247
C[C@]12C[C@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34)O H825250
CC(c1cc(c(cc1[N+](=O)[O-])OCCCC(=O)O)OC)O H825255
C[C@@H]([C@H](c1ccccc1)O)N(C)CCO H825275
[2H]C([2H])([2H])N(CCO)[C@@H](C)[C@H](c1ccccc1)O H825277
c1cc(ccc1/C=C/CN2CCN(CC2)C(c3ccc(cc3)F)c4ccc(cc4)F)O H825280
CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O H825285
[2H]/C(=C(\[2H])/C[C@@H](/C=C/C=C\C/C(=C(/[2H])\CCCC(=O)O)/[2H])O)/CCCCC H825287
C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)[O-])O)C[C@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]3CC[C@H]([C@H](C3)OC)OCCO)/C)O)OC)/C)OC.[Na+] H825290
[2H]C([2H])(C([2H])([2H])O[C@@H]1CC[C@H](C[C@@H]1OC)C[C@@H](C)/C=C/C(=O)[C@H](C)/C=C(\C)/[C@H]([C@H](C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)/[C@@H](C[C@@H]2CC[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)[O-])O)C)OC)OC)O)O.[Na+] H825292
c1ccc(cc1)CCN2CCC(CC2)N(c3ccccc3)C(=O)CCO H825300
[2H]c1c(c(c(c(c1[2H])[2H])N(C2CCN(CC2)CCc3ccccc3)C(=O)CCO)[2H])[2H] H825302
C[C@H]([C@H](c1ccc(cc1)O)O)NC H825305
[2H]C([2H])([2H])N[C@H](C)[C@H](c1ccc(cc1)O)O H825307
c1cc(ccc1CCCCCCCCO)CCC(CO)(CO)N.Cl H825310
c1ccc(cc1)C2=NC(c3nncn3-c4c2cc(cc4)Cl)O H825315
CCCC(CC(=O)O)O H825320
CN(CC/C(=N\O)/C(=O)c1cccnc1)N=O H825325
c1ccc(cc1)CCN2CCC(CC2)N(c3ccccc3)C(=O)CCO[C@H]4C([C@H]([C@@H](C(O4)O)O)O)O H825330
Cc1c(cccc1CO)Cc2c[nH]cn2.Cl H825340
[2H]C([2H])(c1cccc(c1C)CO)c2c[15nH]c[15n]2.Cl H825342
C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(CO)O)O)C)O)O H825345
c1c(c(c[nH]1)C(=O)O)CCO H825350
Cc1ccc(c(c1NC(=O)C2CCCCN2C)C)O H825355
[2H]C([2H])([2H])N1CCCCC1C(=O)Nc2c(ccc(c2C)O)C H825357
Cc1ccc(c(c1NC(=O)C2CCCCN2C)C)O H825360
[2H]C([2H])([2H])N1CCCCC1C(=O)Nc2c(cc(cc2C)O)C H825362
COc1c2c(cc[nH]2)c(cn1)O H825400
COc1c[nH]c(=O)c2c1cc[nH]2 H825405
CC(Cc1ccc(c(c1)OC)O)NC.Cl H825465
[2H]C([2H])([2H])NC(C)Cc1ccc(c(c1)OC)O.Cl H825467
CC(Cc1ccc(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)NC H825470
[2H]C([2H])([2H])NC(C)Cc1ccc(c(c1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O H825472
CC(C)NC[C@@H](COc1ccc(c2c1cccc2)OC)O H825500
CC(Cc1ccc2c(c1)OCO2)NO H825505
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C=C(C4=CC(=O)C=C[C@]34C)CO H825510
[2H]C([2H])([2H])[C@@]12C=CC(=O)C=C1C(=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)CO H825512
CCN(C)CCc1c[nH]c2c1c(ccc2)O H825515
[2H]C([2H])(c1c[nH]c2c1c(ccc2)O)C([2H])([2H])N(C)CC H825517
CC(C)n1c2ccc(cc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F)O.[Na+] H825520
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])n1c2ccc(cc2c(c1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c3ccc(cc3)F)O.[Na+] H825522
CC(CN1CCCCC1)C(=O)c2ccc(cc2)CO.Cl H825525
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(cc2)CO)([2H])[2H])([2H])[2H])[2H].Cl H825527
CCCCCC[C@@H]([C@@H](C)O)n1cnc2c1ncnc2N.Cl H825550
CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O H825695
CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O H825700
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@]34O H825710
C/C=C/1\C2Cc3c(ccc(=O)[nH]3)[C@]1(CC(=C2)C)N H826000
Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.CC(=O)[O-].[Co+2] H826800
c1ccc(cc1)C(=O)N[C@H]2CCC[C@H](C2)O H827000
c1ccc(cc1)C(=O)N[C@@H]2CCC[C@H](C2)O H827010
CC(C)C[C@H]1C(=O)N2[C@@H](CCC2O)[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@@H]4CC5c6cccc7c6c(c[nH]7)C[C@H]5N(C4)C)O H827200
c1cc(ccc1CCO)C=O H827400
[2H]C1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)COC(=O)C)C)O)C)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H827842
Cc1nnc2n1-c3ccc(cc3C(=NC2O)c4ccccc4)Cl.CO H827850
CCN(CCCc1ccccc1)CCCc2ccc(cc2)O H827950
CCN(CCCc1ccccc1)CCCc2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H827960
CCC(=O)/C(=N/O)/C H827990
CN(C)CC/C=C\1/c2ccccc2CC(c3c1cccc3)O.C(=O)(C(=O)O)O H828100
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=CC(=O)CC[C@]34C)O H828150
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)CC[C@]34C)O H828155
[2H]C1=C2[C@](C[C@@H]3[C@@H]([C@]2(CC(C1=O)([2H])[2H])C)CC[C@]4([C@H]3CC(C4=O)([2H])[2H])C)([2H])O H828157
[C@H]([C@@H](C(=O)O)O)(C(=O)O)N H828525
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O H828800
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5O H828940
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)O H828945
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccccc4O.[Na+] H828950
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C)C(=O)Nc4ccccc4[O-])[2H])[2H].[Na+].[Na+] H828952
CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](CC(=O)O2)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccccc5O H828955
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@@H]4C[C@H](CC(=O)O4)O)C(C)C)C(=O)Nc5ccccc5O)[2H])[2H] H828957
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccc(cc4)[O-].[Na+].[Na+] H828960
CC(C)c1c(c(c(n1CC[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)c3ccccc3)C(=O)Nc4ccc(cc4)[O-].[Ca+2] H828961
[2H]c1c(c(c(c(c1[2H])[2H])c2c(c(n(c2c3ccc(cc3)F)CC[C@H](C[C@H](CC(=O)[O-])O)O)C(C)C)C(=O)Nc4ccc(cc4)[O-])[2H])[2H].[Na+].[Na+] H828962
CC(C)c1c(c(c(n1CC[C@@H]2C[C@H](CC(=O)O2)O)c3ccc(cc3)F)c4ccccc4)C(=O)Nc5ccc(cc5)O H828963
c1cc(cc(c1)O)C=O H828965
c1cc(ccc1[13CH]=O)O H828972
c1ccc2c(c1)[nH]c(=O)[nH]2 H829000
[2H]c1c(c(c2c(c1[2H])[nH]c(=O)[nH]2)[2H])[2H] H829002
c1c(c(cc2c1OCCO2)O)C(=O)O H829190
c1ccc(cc1)C(=O)c2ccc(cc2)O H829305
c1ccc(cc1)[14C](=O)c2ccc(cc2)O H829307
c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O H829400
[2H]c1c(c(c2c(c1[2H])c(c3c(c(c4c5c3c2c(c(c5c(c(c4O)[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] H829402
c1cc2ccc3cc4ccc(cc4c5c3c2c(c1)cc5)O H829410
[2H]c1c(c2c(c(c3c(c4c(c(c(c(c4c5c3c2c(c1[2H])c(c5[2H])[2H])[2H])O)[2H])[2H])[2H])[2H])[2H])[2H] H829412
c1ccc2c(c1)nnn2O.O H829500
c1cc(cc(c1)O)CC2C(=O)NC(=O)N2 H829610
c1cc(cc(c1)O)/C=C/2\C(=O)NC(=O)N2 H829630
c1cc(ccc1CN=C=S)O H829680
CS(=O)(=O)SCc1ccc(cc1)O H829750
CC(=O)c1ccc(cc1O)OCc2ccccc2 H829860
CC(=O)c1cc(ccc1O)OCc2ccccc2 H829870
COC(=O)c1ccc(c(c1)O)OCc2ccccc2 H829900
c1ccc(cc1)COc2ccc3c(c2)c(cc(=O)o3)O H829920
c1ccc(cc1)COc2ccc3c(cc(=O)oc3c2)O H829930
c1ccc(cc1)COc2cccc3c2oc(=O)cc3O H829940
CCOC(=O)C1(CCC2(CC1)OCCO2)[C@H](c3ccc(cc3)OCc4ccccc4)O H829950
c1ccc(cc1)C(O)P(=O)[O-].[Na+] H829960
CC(CCc1ccc(cc1)O)N(Cc2ccc(cc2)O)CC(c3ccc(cc3)O)O H829970
c1cc(ccc1CC2C(=O)NC(=O)S2)O H829980
c1cc(c(c2c1nccn2)Br)NC(=O)NCCN.C(=O)(C(F)(F)F)O H830000
c1cc(ccc1NC2[C@@H]3C[C@@H]4C[C@H]2C[C@@](C4)(C3)O)Br H830010
[2H]c1c(c(c(c(c1NC2([C@@H]3C[C@@H]4C[C@H]2C[C@@](C4)(C3)O)[2H])[2H])[2H])Br)[2H] H830012
c1c(ccc(c1)Br)NC2[C@H]3C[C@@H]4C([C@H](C3)C[C@H]2C4)O H830015
[2H]c1c(c(c(c(c1[2H])Br)[2H])[2H])NC2([C@H]3C[C@@H]4C([C@H](C3)C[C@H]2C4)O)[2H] H830017
c1ccnc(c1)C2=NC(C(=O)Nc3c2cc(cc3)Br)O H830030
[2H]c1c(c(nc(c1[2H])C2=NC(C(=O)Nc3c2cc(cc3)Br)O)[2H])[2H] H830032
CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)NC(CO)C=C H830050
CCOCOc1cc(c(c(c1)OCOCC)C(=O)C)O H830140
C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2OCOC)OCOC)O H830170
CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC H830270
[2H]C([2H])(C([2H])([2H])Oc1c(c(nc(n1)c2ncccn2)NS(=O)(=O)c3ccc(cc3)C(C)(C)CO)Oc4ccccc4OC)O H830272
[2H]C([2H])([2H])C(CO)(c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4OC)C([2H])([2H])[2H] H830273
CCCC1O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O H830345
[2H]C1(O[C@@H]2C[C@H]3[C@@H]4C[C@@H](C5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C)O)C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H] H830347
CC1C(OCC(N1)(C)C)(c2cccc(c2)Cl)O H830675
[2H]C([2H])([2H])C1(COC(C(N1)C)(c2cccc(c2)Cl)O)C([2H])([2H])[2H] H830677
c1c(cnc(n1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)CC3=O)O H830795
[2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)CC1=O)C([2H])([2H])N3CCN(CC3)c4ncc(cn4)O H830797
c1cnc(nc1)N2CCN(CC2)CCCCN3C(=O)CC4(CCCC4)C(C3=O)O H830800
[2H]C([2H])(C([2H])([2H])C([2H])([2H])N1C(=O)CC2(CCCC2)C(C1=O)O)C([2H])([2H])N3CCN(CC3)c4ncccn4 H830802
CC(C)CC(C(=O)Nc1ccccc1)NC(=O)C(C(C)C)NCC(C=C)O H831180
CC1(O[C@@H]2[C@@H](C3CO[C@@H](C2O1)O3)OCC(CO[C@@H]4[C@H]5C([C@H]6OCC4O6)OC(O5)(C)C)NCCCCO)C H831195
CCCCc1ccc(c(c1)C)N/C=N/O H831225
CC(C)(c1ccc(cc1)C#CCCO)C(=O)OC H831250
[2H]C([2H])([2H])C(c1ccc(cc1)C#CCCO)(C(=O)OC)C([2H])([2H])[2H] H831255
c1cc(c(cc1Cn2cncn2)C#CCCO)N H831265
[H-].C(CC(=O)O)CO.[Ca+] H833000
C(CC(=O)[O-])CO.[Na+] H833015
[13CH2]([13CH2][13C](=O)O)[13CH2]O.[NaH] H833017
CC(CC(=O)[O-])O.[Na+] H833020
[2H]C([2H])([2H])C([2H])(CC(=O)[O-])O.[Na+] H833022
C[C@H](CC(=O)[O-])O.[Na+] H833025
[2H][C@](CC(=O)[O-])(C([2H])([2H])[2H])O.[Na+] H833027
C[C@]12C[C@H]([C@@H](C1(C)C)CC2=O)O H843500
c1cc2cc(cnc2c(c1)O)CC(C(=O)O)N H853265
CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(cc5c4)O)O H875000
[2H]C([2H])([2H])C([2H])([2H])[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccc(cc5c4)O)O H875002
C[C@]12CCC(=O)C=C1C=CC3C2[C@@H](C[C@]4(C3CC[C@@]45CCC(=O)O5)C)O H883500
c1ccc2c(c1)C=Cc3cc(ccc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H884095
c1ccc2c(c1)C=Cc3cc(ccc3N2C(=O)N)O H884100
c1ccc2c(c1)C=Cc3ccc(cc3N2C(=O)N)O H884105
c1ccc2c(c1)C=Cc3ccc(cc3N2C(=O)N)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H884110
c1ccc2c(c1)c3c([nH]2)cccc3O H884725
Cc1c(c(c(c(c1O)OC)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)CCCCCCCCCC(=O)O H884905
Cc1c(c(c(c(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)OC)OC)O)CCCCCCCCCC(=O)O H884910
CC1(CC(CC(N1O)(C)C)C(=O)OC)C H885000
c1ccc(cc1)C(C(C(=O)[O-])O)NCC(=O)[O-].[K+].[K+] H886125
C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)O)O)(C(=O)CO)O)N)O.C(=O)(C(=O)O)O H888500
C[C@H](CO)c1c(c(c(c(n1)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F)COC.[Na+] H900250
[2H]C([2H])([2H])OCc1c(c(c(nc1[C@H](C)CO)C(C)C)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c2ccc(cc2)F.[Na+] H900252
CCN(CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl)CCO H905300
CCN(CCC[C@H](C)Nc1ccnc2c1ccc(c2)Cl)CCO H905305
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O)O H905400
C[C@]12CC(C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O)OO H914685
C1=CC([C@H]2[C@@H]1[C@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)OC(=O)CCC(=O)O H915000
C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@@]4(C3[C@@H]5[C@H]([C@@]2([C@]1(C(=O)CCl)O)C)O5)C H915450
CCN(CCCC(C)Nc1ccnc2c1ccc(c2)Cl)CCO.OS(=O)(=O)O H916900
[2H]C([2H])(CC(C)Nc1ccnc2c1ccc(c2)Cl)C([2H])([2H])N(CC)CCO.OS(=O)(=O)O H916902
C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C H917500
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4O)O)C)C H917975
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C H917980
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C)C([2H])([2H])[2H] H917982
[2H]C([2H])([2H])C([2H])(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4O)O)C)C H917983
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4OC(=O)C)O)C)C H917985
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4OC(=O)C)O)C)C)C([2H])([2H])[2H] H917987
C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C H917990
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C([2H])([2H])[2H] H917992
C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C H917995
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C)C([2H])([2H])[2H] H917997
CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O H918000
[2H]C([2H])([2H])C([2H])(CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)C([2H])([2H])[2H] H918002
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)CO)C H918005
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(CCC(C)C)O H918010
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O H918012
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@@H](CCC(C)C)O H918015
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@H](CCC(C)C)O H918020
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C H918030
C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)OC(=O)C)CO)C H918070
c1c(cc2c(c1)NC(=O)CC2)OCCCCc3[n@@](nnn3)C4CC[C@@H](CC4)O H918300
CN(C)CCCC1(c2ccc(cc2C(O1)O)C#N)c3ccc(cc3)F H918350
c1c(cc(c(c1Cl)NC2=NCCN2)Cl)O H918400
[2H]C1(C(N=C(N1)Nc2c(cc(cc2Cl)O)Cl)([2H])[2H])[2H] H918402
c1cc2c(c(c1)O)CCN(C2)C(=N)N H918485
c1cc2c(cc1O)CCN(C2)C(=N)N H918490
c1cc2c(cc1O)CN(CC2)C(=N)N H918495
c1cc2c(c(c1)O)CN(CC2)C(=N)N H918500
c1cc2c(c(c1)O)CN(CC2)[13C](=[15NH])[15NH2] H918502
CC(C)(CO)c1ccc(cc1)C(=O)CCCN2CCC(CC2)OC(c3ccccc3)c4ccccc4 H918700
[2H]c1c(c(c(c(c1[2H])[2H])C(c2ccccc2)OC3CCN(CC3)CCCC(=O)c4ccc(cc4)C(C)(C)CO)[2H])[2H] H918702
CC(c1ccc(c(c1)OC)OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)O H918800
[2H]C([2H])([2H])Oc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C([2H])(C)O H918802
CCOC(=O)CC/C(=N\O)/c1cccnc1 H918920
[2H]C1(C(C/C(=N\O)/CC1(C#N)C([2H])([2H])[2H])(C)C)[2H] H918952
CCOC(=O)CCC/C(=N/O)/c1cccnc1 H918980
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=C[C@]3([C@H]1C5)O)OC H922200
C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O H922300
[2H][H]C1(C[C@@]2([C@@H]3[C@@H](C[C@H](C2=CC1=O)O)[C@@H]4CC[C@@]([C@]4(C[C@@H]3O)C)(C(=O)C([2H])([2H])O)O)C)[H][2H] H922302
[2H][C@]12[C@@H](C[C@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C([C@]2([2H])O)([2H])[2H])C)(C(=O)CO)O H922303
C[C@]12CCC(=O)C=C1[C@H](C[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O H922310
[2H][C@]12[C@@H](C[C@@H](C3=CC(=O)CC[C@@]31C)O)[C@@H]4CC[C@@]([C@]4(C(C2([2H])O)([2H])[2H])C)(C(=O)CO)O H922312
CN1[C@@H](C[C@H](C1=O)O)c2cccnc2 H924500
[2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O)c2cccnc2 H924502
CN1[C@@H](C[C@@H](C1=O)O)c2cccnc2 H924505
CC(=O)O[C@@H]1C[C@H](N(C1=O)C)c2cccnc2 H924508
[2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O)c2cccnc2 H924510
CN1[C@@H](C[C@H](C1=O)O)c2cc(cnc2)C(=O)O H924515
CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O)c3cccnc3.[Na+] H924520
CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)OC)O)O)c3cccnc3 H924523
CN1[C@@H](C[C@@H](C1=O)O)c2cc(cnc2)C(=O)OC H924525
CN1[C@H](C[C@@H](C1=O)O)c2cc(cnc2)C(=O)OC H924526
CN1[C@@H](C[C@H](C1=O)O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O H924530
[2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O)c2ccc[n+](c2)[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)[O-])O)O)O H924532
[2H]C([2H])([2H])N1C(C[C@H](C1=O)O)c2ccc[n+](c2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O H924535
CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3cccnc3 H924540
[2H]C([2H])([2H])N1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)c3cccnc3 H924542
CN1[C@@H](C[C@H](C1=O)OC(=O)c2ccccc2)c3cccnc3 H924545
CN1[C@@H](C[C@H](C1=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)c3cccnc3 H924560
CN1[C@@H](C[C@H](C1=O)O)c2ccc[n+](c2)CCCCCC(=O)[O-] H924580
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)O[C@@H]2C[C@H](N(C2=O)C)c3cccnc3)C(=O)OC)OC(=O)C H924635
c1cc(cc2c1ccc(=O)o2)O H924875
c1cc(=O)o[13c]2c1cc[13c]([13cH]2)O H924877
c1c[13c]2[13cH][13cH][13c]([13cH][13c]2oc1=O)O H924878
c1cc(cc2c1ccc(=O)o2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O.[Na+] H924880
[2H]c1c(c(c(c2c1c(c(c(=O)o2)[2H])[2H])[2H])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)[2H].[Na+] H924882
c1c[13c]2[13cH][13cH][13c]([13cH][13c]2oc1=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H924883
COC(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)Oc2ccc3ccc(=O)oc3c2)O)O)O H924885
[2H]C([2H])([2H])N(CC/C=C\1/c2ccccc2C=Cc3c1cc(cc3)O)C([2H])([2H])[2H] H926002
C1C=C[C@@H]([C@@H]1CO)O H926240
c1ccc(cc1)C[C@@H]2COC(=O)N2C(=O)[C@H]3CC=C[C@@H]3O H926250
C1CO[P@](=O)(N[C@H]1O)N(CCCl)CCCl H926300
C1CO[P@](=O)(N[C@H]1O)N(CCCl)CCCl H926301
[2H]C([2H])(CN(CC([2H])([2H])Cl)[P@@]1(=O)N[C@H](CCO1)O)Cl H926302
C1CC1(C(=O)O)O H927490
C1CCC(CC1)[NH3+].C1CC1(C(=O)O)OP(=O)(O)O H927500
CN(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)O H931500
CN(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)OC H931515
CC(C)(CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)N)O H931750
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)([C@H]([C@@H]1O)O)O)OC(=O)c5ccccc5)(CO4)OC(=O)C)O)C)O H932500
Cc1cc(cc(c1NC(=O)C2CCCCN2)C)O H941680
CC(CNC)CN1c2ccccc2CCc3c1ccc(c3)O H941685
Cc1cc(cc(c1NC(=O)[C@@H]2CCCCN2)C)O H941690
Cc1cc(cc(c1NC(=O)C2CCCCN2C(=O)OC(C)(C)C)C)O H941700
c1ccc(cc1)[14CH2]c2ccc(cc2)O H941707
c1c(c(cc(c1O)O)O)C[C@@H](C(=O)O)N H941725
c1c(c(cc(c1O)O)O)CCN.Cl H941730
[2H]C([2H])(c1cc(c(cc1O)O)O)C([2H])([2H])N.Cl H941732
COc1cc2c(cc1OC)C(=O)C(C2)C(C3CCN(CC3)Cc4ccccc4)O H941740
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4COc5ccc(cc5O4)O H941760
COc1cc2c(cc1O)c(nc(n2)N3CCN(CC3)C(=O)C4COc5ccccc5O4)N H941765
COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)C4COc5cc(ccc5O4)O H941770
COc1cc2c(cc1O)nc(nc2N)N3CCN(CC3)C(=O)C4COc5ccccc5O4 H941775
CN(C)CC/C=C/1\c2ccccc2COc3c1cc(cc3)O H941785
CN(C)CC/C=C/1\c2ccccc2COc3c1ccc(c3)O H941790
CN(C)CC/C=C/1\c2ccccc2OCc3c1ccc(c3)O H941795
CNCC[C@@H](c1cccs1)Oc2ccc(c3c2cccc3)O H941800
[2H]c1c(c(c2c(c1[2H])c(c(c(c2O[C@@H](CCNC)c3cccs3)[2H])[2H])O)[2H])[2H] H941802
CNCC[C@@H](c1cccs1)Oc2ccc(c3c2cccc3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H941805
c1ccc2c(c1)CN(CC2O)C(=N)N H933875
c1ccc2c(c1)CN(CC2O)C(=N)N H933877
CCCCCCCC(CC(=O)O)O H933950
CCCCCCC[C@H](CC(=O)OC)O H934100
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3C[C@@H](C5=CC(=O)C=C[C@]45C)O)O)C)C(=O)COC(=O)C H934300
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3C[C@H](C5=CC(=O)C=C[C@]45C)O)O)C)C(=O)COC(=O)C H934310
Cc1c(c(c(c(n1)CO)C(=O)O)c2ccccc2[N+](=O)[O-])C(=O)OC H934500
CC(C)NCC(COc1ccc(cc1)C(=O)OC)O.Cl H934580
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H934800
C[C@@H]1CC[C@H]2[C@H](C(O[C@H]3[C@@]24[C@H]1C[C@H](C(O3)(O4)C)O)O)C H934950
[2H]C([2H])([2H])[C@H]1[C@@H]2CC[C@H]([C@H]3[C@]24[C@@H](OC1O)O[C@](O4)([C@@H](C3)O)C)C H934952
C1[C@@H](O[C@@H](C1O)CO)n2c3c(c(=O)[nH]c(n3)N)nc2O H935500
CC1=NC2(C(O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3C[C@@H](C5=CC(=O)C=C[C@]45C)O)O)C)C(=O)CO H935805
c1ccc2c(c1)C(=Nc3ccc(cc3S2)O)N4CCNCC4 H936100
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Sc4c2cccc4)O)([2H])[2H])[2H] H936102
CNCCCN1c2ccccc2CCc3c1ccc(c3)O H936500
[2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1ccc(c3)O H936502
CNCCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H936510
[2H]C([2H])([2H])NCCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H936512
CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccc3c(c2)CCc4ccccc4N3CCCNC)C(=O)OC)OC(=O)C H936520
c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCNCC4)O H936750
[2H]C1(CC(=C2c3ccc(cc3CCc4c2ncc(c4)O)Cl)CC(N1)([2H])[2H])[2H] H936752
c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCNCC4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H936760
c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4CC2O)Cl H936765
c1cc2c(nc1)C(=C3CCNCC3)c4ccc(cc4C(C2)O)Cl H936770
CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)OCCO)Oc4ccccc4O H938000
CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OCCNC)/c3ccccc3 H938495
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCNC)/c3ccccc3 H938500
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(CC[C@H]34)O H939000
C[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@@H]3[C@@]24[C@H]1C[C@H]([C@](O3)(O4)C)O)OC)C H939050
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)O H939480
C[C@@H]1C[C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)O H939500
CC1=C(C(=O)c2c(c3n(c2C1=O)C[C@@H](C3O)N)COC(=O)N)N H939700
c1ccc2c(c1)CC(=O)N(C2=O)O H939800
c1cc2c(cccn2)c(c1)O H939950
CCCCC(c1c(c2cc(c(cc2[nH]1)C)C(=O)O)CCc3ccccc3)O H939980
CCCCC1(C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940060
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C1(C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940062
CC(CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940070
[2H]C([2H])([2H])C([2H])(C([2H])([2H])CC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3)O H940072
CN1c2ccc(cc2C(=NCC1=O)c3ccc(cc3)O)Cl H940500
[2H][13C]([2H])([2H])N1c2ccc(cc2C(=NCC1=O)c3ccc(cc3)O)Cl H940502
C[N+](C)(C)CCOP(=O)([O-])Oc1ccc(cc1)/N=N/c2cc(ccc2O)CC(=O)O H941000
c1ccc2c(c1)ccc3ccc(cc3c2=O)O H941150
c1ccc2c(c1)NC(=O)c3cccc(c3O2)O H941160
c1ccc2c(c1)C(=O)Nc3ccc(cc3O2)O H941165
c1ccc2c(c1)C(=O)Nc3c(cccc3O2)O H941170
[C@H]12[C@H](O1)C3C4C(C2C3O)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl H941200
CCN(CC)CCc1c[nH]c2c1c(ccc2)O H941250
[2H]C([2H])(c1c[nH]c2c1c(ccc2)O)C([2H])([2H])N(CC)CC H941252
C[C@]12CCC(C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(O5)O)C)O H941280
[2H]C([2H])([2H])CCCc1ncc(n1Cc2ccc(cc2)C(=O)OC)C(C(Cc3cccs3)C(=O)OC)O H941302
C[C@@]1(C(=O)N2[C@H](C(=O)N3[C@H]([C@@]2(O1)O)CCC3O)Cc4ccccc4)NC(=O)[C@@H]5CC6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C H941350
[2H][13C]([2H])([2H])N1C[C@@H](CC2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)N[C@]5(C(=O)N6[C@H](C(=O)N7[C@H]([C@@]6(O5)O)CCC7O)Cc8ccccc8)C H941352
CCOC(=O)N1CCC(CC1)C2(c3ccc(cc3CCc4c2nccc4)Cl)O H941370
CN1CCC(CC1)C2(c3ccc(cc3CCc4c2nccc4)Cl)O H941375
CN1CC[C@]23CC(=O)CC[C@]2([C@H]1Cc4c3c(c(cc4)OC)O)O H941390
c1cc2c(c(c1)O)CCC(=O)N2 H941410
C1COC(=O)[C@H]1O H941420
c1cc2c(cc1O)CCC(=O)N2 H941423
c1c(cc(c(c1I)O)I)S(=O)(=O)[O-].[Na+] H941425
CCOC(=O)C(C)(C)C(C)O H941428
c1ccc(cc1)Cc2ccc(cc2)O H941430
c1c(cc(c(c1I)O)I)CO H941435
Cc1cc(cc(c1NC(=O)C)C)O H941440
C[C@H]([C@@H](c1cnc2c(n1)c(nc(n2)SC)O)O)O H941445
CCCN(CCC)C1CCc2cccc(c2C1)O.Br H941450
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)C1CCc2cccc(c2C1)O.Br H941452
CC(CCCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)O H941460
[2H]C([2H])([2H])C([2H])(C([2H])([2H])CCC(=O)CCCC=C)OC(=O)c1c(cc(cc1OC)OC)O H941462
Cc1cc(c(cc1C)O)C(=O)C H941470
CN(C)c1ccc(cc1)C(=O)NCCCCCCC(=O)NO H941480
CC(C)(CO)c1ccc(cc1)S(=O)(=O)Nc2c(c(nc(n2)c3ncccn3)Cl)Oc4ccccc4OC H941520
C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)(C)OC(=O)C H941540
[2H]C([2H])([2H])[C@@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)(C)OC(=O)C H941580
C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)(C)O H941582
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)CC(C)(C)C)O H941585
CCCCCCCC(C)(C)c1ccc(c(c1)O)[C@H]2CCC[C@H](C2)O H941620
[2H]C([2H])([2H])C(CCCCCCC)(c1ccc(c(c1)O)[C@H]2CCC[C@H](C2)O)C([2H])([2H])[2H] H941622
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O H941625
C[C@]12CCC(=O)C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5(CCCO)O)C)O H941645
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(O7)O)C H941650
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57[13CH2][13CH2][13CH](O7)O)C H941652
[2H]c1c(c(c2c(c1[2H])c(c(c(c2O[C@@H](CCNC)c3cccs3)[2H])[2H])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)[2H])[2H] H941807
c1c2c(cc(c1Cl)O)NC(=O)OC2(C#CC3CC3)C(F)(F)F H941820
[2H]C1(C(C1([2H])[2H])C#CC2(c3cc(c(cc3NC(=O)O2)O)Cl)C(F)(F)F)[2H] H941822
c1c(cc(c2c1[C@@](OC(=O)N2)(C#CC3CC3)C(F)(F)F)O)Cl H941825
[2H]C1(C(C1([2H])[2H])C#C[C@]2(c3cc(cc(c3NC(=O)O2)O)Cl)C(F)(F)F)[2H] H941827
C[C@]12CC[C@@H]3c4ccc(cc4[C@H](C[C@H]3[C@@H]1CC[C@@H]2O)O)O H941845
C[C@]12CC[C@@H]3c4ccc(cc4[C@@H](C[C@H]3[C@@H]1CC[C@@H]2O)O)O H941850
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@]34O H941860
C[C@]12CCC(=O)C=C1[C@@H]([C@H]([C@@H]3C24C(O4)C[C@]5([C@H]3CC[C@@]56CCC(=O)O6)C)C(=O)OC)O H941865
CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](c4c3ccc(c4)O)O)C H941870
CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](c4c3ccc(c4)O)O)C H941875
C[C@]12CCC3=C4CC[C@@H](C=C4CC[C@H]3[C@@H]1CCC2=O)O H941880
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CC[C@@H]4[C@@H]3CCC(=O)C4 H941885
CC(CSCCO)O H942310
CCc1cc(cc2c1[nH]c3c2CCOC3(CC)CC(=O)O)O H942325
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=C)C4=CC(=O)C=C[C@]34C H942340
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CC(=C)C4=CC(=O)C=C[C@]34C)C)O H942342
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OS(=O)(=O)N)CC(=C)C4=CC(=O)C=C[C@]34C H942345
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CC(=C)C5=CC(=O)C=C[C@]35C H942350
[2H]C([2H])([2H])[C@@]12C=CC(=O)C=C1C(=C)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C H942352
c1cc2c(ccnc2O)c(c1)S(=O)(=O)N3CCCNCC3.Cl H942380
c1ccc(c(c1)CCN2CCC3(CC2)CNC(=O)O3)O H942385
c1cc(cc(c1)O)CCN2CCC3(CC2)CNC(=O)O3 H942390
c1cc(ccc1CCN2CCC3(CC2)CNC(=O)O3)O H942395
[2H]C([2H])([2H])CC(=O)N(c1ccccc1)C2CCN(CC2)CC(c3ccccc3)O.Cl H942402
c1ccc(cc1)C(COC(=O)N)(COC(=O)N)O H942405
[2H]C([2H])(C(c1ccccc1)(C([2H])([2H])OC(=O)N)O)OC(=O)N H942407
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)C[C@@H]([C@@H]4[C@@]3(C=CC(=O)N4)C)O H942410
Cc1c(cccc1Nc2c(cc(cn2)O)C(=O)O)C(F)(F)F H942420
C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O H941890
[2H][C@]1([C@]2(CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]2CC1([2H])[2H])O)O)C)O H941892
C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O H941895
[2H][C@]1([C@]2(CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]2CC1([2H])[2H])O)O)C)O H941897
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H](C2=O)O)O H941900
[2H]c1cc2c(c(c1O)[2H])C(C[C@@H]3[C@@]2(CC[C@]4([C@H]3C[C@H](C4=O)O)C)[2H])([2H])[2H] H941902
CC12CCC3c4ccc(cc4CCC3C1CC(C2=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O H941905
C1CN(CCN1)CCOCCO H941910
CCc1cc2c(s1)-n3c(nnc3CO)CN=C2c4ccccc4Cl H941915
C1C[N+](CCN1)(CCOCCO)[O-] H941920
CS(=O)(=O)OCCc1ccc2c(c1)C(CO2)O H941925
[2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CCC4=O)C)O)C([C@@H]1O)([2H])[2H])C)[2H] H941932
C[C@]12CC[C@@H]3c4ccc(cc4[C@H](C[C@H]3[C@@H]1CCC2=O)O)O H941935
C[C@]12CC[C@@H]3c4ccc(cc4[C@@H](C[C@H]3[C@@H]1CCC2=O)O)O H941940
C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CCC2=O)O)O H941945
[2H]c1c2c(c(c(c1O)O)[2H])[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC(C4=O)([2H])[2H])C H941947
C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CCC2=O)O)O H941950
[2H]c1c(c(c(c2c1[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC(C4=O)([2H])[2H])C)O)O)[2H] H941952
C(=C/O)\Nc1[nH]c(nc(=O)n1)N H941955
C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CCC2(C#C)O)O)O H941960
C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CCC2(C#C)O)O)O H941965
C[C@@H]1CC[C@H]2[C@H](C(=O)N([C@H]3C24[C@H]1CCC(O3)(OO4)C)CCO)C H941970
c1ccc2c(c1)[nH]c(=O)n2CCO H941975
C(CSC[C@@H](C(=O)O)N)O H941980
[2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)O)N)O H941982
c1nc(c2c(n1)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)NCCO H941985
[2H]C([2H])(C([2H])([2H])O)Nc1c2c(ncn1)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O H941987
c1nc2c(=N)n(cnc2n1[C@H]3C[C@H]([C@H](O3)CO)O)CCO H941990
[2H]C([2H])(C([2H])([2H])O)n1cnc2c(c1=N)ncn2[C@H]3C[C@H]([C@H](O3)CO)O H941992
CC(c1cccc(c1)C(=O)c2ccccc2)O H941995
C1C([C@H]([C@H](C(N1CCO)CO)O)O)O.Cl H942000
C[C@]12CC[C@@H]3c4ccc(cc4[C@@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O)O H942010
C1C([C@H]([C@H](C(N1CCO)CO)O)O)O.Cl H942015
c1nc2c(n1[C@H]3C[C@H]([C@H](O3)CO)O)nc(nc2OCCO)N H942020
[2H]C([2H])(C([2H])([2H])Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)O H942022
C1C([C@H]([C@@H](C(N1CCO)CO)O)O)O.Cl H942030
CC(=O)c1cc(ccc1OC)CCO H942040
c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)CCO H942060
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)C(=O)O H942070
[2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)O H942072
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)OC)C(=O)OC H942075
[2H]C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)OC)NC(=O)CC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O H942077
c1cc(c2c(c1)NC(=O)C2)CCO H942090
C[C@]12CC[C@@H]3c4c(cc(c(c4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O)n5cnc(c-6ncnc56)N H942100
C[C@]12CC[C@@H]3c4c(cc(c(c4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O)n5cnc6c5c(=O)[nH]c(n6)N H942115
C[C@]12CC[C@@H]3c4c(cc(c(c4CC[C@H]3[C@@H]1CCC2=O)O)O)n5cnc6c5c(=O)[nH]c(n6)N H942120
C(CSSCCO)C(=O)O H942130
c1ccc2c(c1)/C(=C/CCN3CCN(CC3)CCOCCO)/c4cc(ccc4S2)C(F)(F)F H942135
[2H]C([2H])(C([2H])([2H])OCCO)N1CCN(CC1)CC/C=C\2/c3ccccc3Sc4c2cc(cc4)C(F)(F)F H942137
c1ccc(c(c1)C2=NCC(=O)N(c3c2cc(cc3)Cl)CCO)F H942140
C(CC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N.Cl H942155
C(CC(=O)N[C@@H](CSCCO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N H942156
C(CO)NCC(=O)O H942175
c1nc(c2c(n1)ncn2CCO)N H942190
[2H]C([2H])(C([2H])([2H])O)n1cnc2c1c(ncn2)N H942192
c1nc2c(n1COCCO)c(=O)[nH]c(n2)N H942195
[2H]C([2H])(C([2H])([2H])OCn1cnc2c1c(=O)[nH]c(n2)N)O H942197
c1nc2c(n1CCO)c(=O)[nH]c(n2)N H942200
[2H]C([2H])(C([2H])([2H])O)n1cnc2c1c(=O)[nH]c(n2)N H942202
C1CN(C(=S)N1)CCO H942205
[2H]C([2H])(C([2H])([2H])O)N1CCNC1=S H942207
C(CO)NC(=O)/C=C\C(=O)O H942210
CC(=C)C(=O)OCCO H942230
CS(=O)(=O)SCCO H942250
[2H]C([2H])(C([2H])([2H])SS(=O)(=O)C)O H942260
Cc1ccc(cc1)S(=O)(=O)NCCO H942265
Cc1ncc(n1CCOCCO)[N+](=O)[O-] H942280
B(F)(F)F.CN\1c2ccccc2S/C1=C/C=C/c3cc[n+](c4c3cccc4)CCO.[F-] H942285
CC(c1ccc2c(c1)N(c3ccccc3S2=O)CCCN(C)C)O H942290
[2H]C([2H])([2H])C([2H])(c1ccc2c(c1)N(c3ccccc3S2=O)CCCN(C)C)O H942292
CC(c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O H942295
[2H]C([2H])([2H])C([2H])(c1ccc2c(c1)N(c3ccccc3S2)CCCN(C)C)O H942297
CC(C)[C@@H](C(=O)O)NCCO H942300
[2H]C([2H])(C([2H])([2H])O)NC(C(C)C)C(=O)O H942302
[2H]C([2H])([2H])c1c(cccc1Nc2c(cc(cn2)O)C(=O)O)C(F)(F)F H942422
c1ccc-2c(c1)Cc3c2ccc(c3)O H942430
[2H]c1c(c(c2c(c1[2H])-c3c(c(c(c(c3C2([2H])[2H])[2H])O)[2H])[2H])[2H])[2H] H942432
c1cc2c(cc1C(F)(F)F)N(c3ccc(cc3S2)O)CCCN4CCN(CC4)CCO H942435
[2H]C1(C(N(C(C(N1CCCN2c3ccc(cc3Sc4c2cc(cc4)C(F)(F)F)O)([2H])[2H])([2H])[2H])CCO)([2H])[2H])[2H] H942437
CC(c1ccc(c(c1)F)c2ccc(cc2)O)C(=O)O H942440
[2H]C([2H])([2H])C(c1ccc(c(c1)F)c2ccc(cc2)O)C(=O)O H942442
COC(=O)Nc1[nH]c2ccc(cc2n1)C(c3ccc(cc3)F)O H942455
CC(C)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O H942475
[2H]C([2H])([2H])C(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(C([2H])([2H])[2H])O H942477
c1cc(ccc1CCCCP(=O)(CC(=O)N2C[C@@H](C[C@@H]2C(=O)O)C3CCCCC3)O)O H942500
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2CCN(C(C2)O)C(=O)Oc3ccc4c(c3)c(c5c(n4)-c6cc7c(c(=O)n6C5)COC(=O)[C@@]7(CC)O)CC)([2H])[2H])([2H])[2H])[2H] H943542
CCc1c2cc(ccc2nc-3c1C(n4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O)OC(=O)N6CCC(CC6)N7CCCCC7 H943545
C[C@@H](CO)C(=O)OC H943555
C[C@H](CO)C(=O)OC H943558
c1ccc2c(c1)C(CNC2=O)O H943560
c1cncc(c1C(=O)O)O H943565
C[C@@H]([C@@H](C)O)[C@H](C(=O)O)N H943570
CC(C)NCC(COc1ccc(cc1)C(=O)O)O H943575
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(cc1)C(=O)O)O H943577
c1cc(c(cc1C(=O)O)C(=O)O)O H943580
c1c(snc1O)C(=O)N H943585
c1c(c(no1)C(=O)O)O H943590
C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)c3c(con3)O)SC1)C(=O)O H943595
CC(C(C)O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl H943600
[2H]C([2H])([2H])C([2H])(C([2H])(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl)O H943602
c1ccc2c(c1)cccc2OCC(CN3C(=O)CCC3=O)O H948605
[2H]c1cc2ccccc2c(c1[2H])OC([2H])([2H])C([2H])(C([2H])([2H])N3C(=O)CCC3=O)O H948607
CC(=O)c1ccc(c(c1)[N+](=O)[O-])O H948610
COC(=O)/C=C/C(=O)c1cccc(c1[N+](=O)[O-])O H948615
c1cc(c(c(c1)O)[N+](=O)[O-])C(=O)/C=C/C(=O)O H948620
CCC1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)CO)C H942530
[2H]C([2H])([2H])C([2H])([2H])C1=C(CN(C1=O)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCC(CC3)CO)C H942532
c1cc(ccc1CO)S(=O)(=O)NC(=O)NN2CC3CCCC3C2 H942545
[2H]C1(C2CCCC2C(N1NC(=O)NS(=O)(=O)c3ccc(cc3)CO)([2H])[2H])[2H] H942547
C([C@@H](C(=O)O)N)[C@H](C(=O)O)O H942550
C([C@@H](C(=O)O)N)[C@@H](C(=O)O)O H942555
C(CC(=O)[O-])[C@H](C(=O)[O-])O.[Na+].[Na+] H942565
C(CC(=O)[O-])[C@@H](C(=O)[O-])O.[Na+].[Na+] H942570
C(CC(=O)[O-])C(C(=O)[O-])O.[Na+].[Na+] H942575
C(CC(=O)[O-])C(C(=O)[O-])O.[Zn+2] H942577
C(C(CC(=O)O)O)C(=O)O H942580
COC(=O)CC(CC(=O)OC)O H942590
CCCCCCCCOC(=O)[C@@H](CCC(=O)[O-])O.[Na+] H942595
CCCCCCCCOC(=O)[C@H](CCC(=O)[O-])O.[Na+] H942596
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CCC[C@@H](C3)O)Cl H942615
COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CCC[C@H](C3)O)Cl H942620
[2H][13C]([2H])([2H])Oc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CCC[C@H](C3)O)Cl H942622
COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)O H942625
[2H][13C](Oc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@@H](CC3)O)([2H])[2H] H942627
COc1c(cc(cc1)Cl)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](CC3)O H942630
Cn1c2c(cccc2O)c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C.Cl H942675
[2H]C([2H])([2H])n1c2c(cccc2O)c(n1)C(=O)N[C@H]3C[C@H]4CCC[C@@H](C3)N4C.Cl H942677
c1c(cc(c(c1Cl)C=NNC(=N)N)Cl)O.Cl H942710
C(=N)(N)NO H942750
C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2O)O)O)O H942770
C([C@@H]1C([C@@H]([C@@H](O1)n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2O)O)O)O H942772
C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)nc2O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O H942780
C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[15nH][13c](n3)[15NH2])nc2O)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O H942782
c1c(c(cc(c1Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)O)Cl)Cl H942790
[13cH]1[13c]([13c]([13cH][13c]([13c]1Cl)Cl)Cl)[13c]2[13c]([13c]([13c]([13c]([13c]2Cl)Cl)O)Cl)Cl H942792
C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)ON3C(=O)CCC3=O H942810
CC(CCCC(=O)[O-])O.[Na+] H942825
CCCc1c2c(c(=O)nc([nH]2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCO)n(n1)C H942840
CS(=O)(=O)SCCCCCCO H942850
c1cc(ccc1C(C#N)C2(CCCCC2)O)O H942855
CC(C)C(c1ccc(cc1)C(C)C(=O)O)O H942858
CC(c1ccc(cc1)CC(C)(C)O)C(=O)O H942860
[2H]C([2H])([2H])C(Cc1ccc(cc1)C(C)C(=O)O)(C([2H])([2H])[2H])O H942862
CC(C)Cc1ccc(cc1)C(C)(C(=O)O)O H942863
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)C(C#N)C3(CCCCC3)O)C(=O)OC)OC(=O)C H942865
c1cc(ncc1O)I H942870
c1ccc2c(c1)cc[nH]c2=O H942875
CC(C)N(C)CCc1c[nH]c2c1c(ccc2)O H942880
[2H]C([2H])(c1c[nH]c2c1c(ccc2)O)C([2H])([2H])N(C)C(C)C H942882
c1ccc(c(c1)C(=O)NCC(=O)O)O H942885
c1ccc(c(c1)C(=O)[15NH][13CH2][13C](=O)O)O H942887
C1(C(=O)NC(=O)N1)O H943000
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@H]3[C@@H]1C5O)O H943010
CC(=O)c1cc(ccc1O)CCO H943020
Cc1c(c(c(c(c1O)OC)OC)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)[O-])O)O)O)CCCCCCCCCCO.[Na+] H943040
Cc1c(c(c(c(c1O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)[O-])O)O)O)OC)OC)O)CCCCCCCCCCO.[Na+] H943045
c1ccc(cc1)C(c2ccccc2)(C3CCN(C3)CCc4ccc(c(c4)CCO)O)C(=O)N H943065
c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)CO)OCC(c3ccc(c(c3)CO)O)O)O H943080
CN(C[C@@H](c1cccc(c1)O)O)C(=O)CC(C(=O)O)O H943090
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(C4=CC(=O)C=C[C@]34C)(CO)O H943105
C[C@@H]1[C@@H]([C@](NC1=O)([C@@H](C(C)C)O)C(=O)O)O H943120
c1ccc2c(c1)c(=O)c(c(o2)CCCCCO)O H943150
c1[nH]c(c(n1)O)C(=O)N H943250
CNC(=O)c1cccc(c1O)Cc2c[nH]cn2 H943265
Cc1ccc(c(c1C(=O)N)O)Cc2c[nH]cn2.Cl H943270
COC(=O)/C(=N/O)/c1c[nH]c2c1cccc2 H943280
C/C(=N\O)/C(NCCC(CCNC(/C(=N/O)/C)(C)C)CCNC(=O)CCCC(=O)Oc1c(c(c(c(c1F)F)F)F)F)(C)C H943300
CCOC(=O)CC(=O)/C(=N/O)/C(=O)OCC H943315
CCNC(=O)CC/C(=N\O)/C H943325
CN(C)CCCN1c2ccccc2CCc3c1ccc(c3)O H943400
[2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1ccc(c3)O)C([2H])([2H])[2H] H943402
CN(C)CCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H943410
[2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1ccc(c3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)C([2H])([2H])[2H] H943412
CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2ccc3c(c2)CCc4ccccc4N3CCCN(C)C)C(=O)OC)OC(=O)C H943415
c1ccc2c(c1)CC(C2)O H943420
CC1Cc2cc(ccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl)O H943450
CC1Cc2cc(ccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl)OC H943455
c1cc2c(c(c1)O)CC=C2 H943500
c1cc2c(cc[nH]2)cc1O H943510
c1cc2c(cc[nH]2)c(c1)O H943515
c1cc2cc[nH]c2c(c1)O H943520
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=O)C H943525
CC1=C(C(C[C@H](C1)O)(C)C)/C=C/C(=O)C H943530
CC(C)(c1ncc(n1C)[N+](=O)[O-])O H943535
[2H]C([2H])([2H])n1c(cnc1C(C)(C)O)[N+](=O)[O-] H943537
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6O)N7CCCCC7 H943540
[2H]C([2H])([2H])C([2H])(C([2H])(C([2H])([2H])[2H])O)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl H943603
CC(C)(CC(=O)O)O H943605
CCOC(=O)c1c(c(on1)C(=O)OCC)O H943610
C[C@H](CCCC(C)CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C H943625
[2H]C1(C[C@H]2[C@H]3[C@H](CC[C@@]2([C@H]1[C@H](C)C([2H])([2H])CCC(C)CO)C)[C@]4(CC[C@@H](CC4=CC3=O)O)C)[2H] H943627
C(C(C(=O)O)O)C(=O)C(=O)O H943645
c1cc(ccc1C(=O)c2ccc3n2CCC3C(=O)O)O H943650
[2H]C1(C(c2ccc(n2C1([2H])[2H])C(=O)c3ccc(cc3)O)C(=O)O)[2H] H943652
COC(=O)C1(CCn2c1ccc2C(=O)c3ccccc3)O H943655
[2H]C([2H])([2H])OC(=O)C1(CCn2c1ccc2C(=O)c3ccccc3)O H943657
c1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N)C(=O)CC(C(=O)O)N H943660
CN1CCC(CC1)C2(c3ccccc3C=C(c4c2ccs4)OC)O H943670
CN1CCC(CC1)C2(c3ccccc3CC(=O)c4c2ccs4)O H943680
Cc1cc(ccc1OCc2ccccc2/C(=N\OC)/C(=O)O)O H943690
c1cc(c(c(c1)O)N)C(=O)CC(C(=O)O)N H943695
c1cc(c(c(c1)O)N)C(=O)C[13CH]([13C](=O)O)[15NH2] H943697
Cc1c(ccnc1CSc2[nH]c3cccc(c3n2)O)OCC(F)(F)F H943700
Cc1c(ccnc1CS(=O)c2[nH]c3cc(ccc3n2)[O-])OCC(F)(F)F.[K+] H943711
Cc1c(ccnc1CSc2[nH]c3cc(ccc3n2)O)OCC(F)(F)F H943715
c1cc(ccc1[C@H]2CN3CCSC3=N2)O H943720
c1ccc(c(c1)[C@H]2CN3CCSC3=N2)O H943725
CN1CCN(CC1)C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)O H943730
[2H]C([2H])([2H])N1CCN(CC1)C2=Nc3cc(ccc3Oc4c2cc(cc4)Cl)O H943732
CC(C)[C@@H]([C@H](C(=O)O)N)O H943740
CC(C)[C@H]([C@@H](C(=O)O)N)O H943745
CC(=O)O.C(C[C@@H](C(=O)O)N)CN/C(=N\O)/N H943750
c1cc(ccc1C(F)(F)F)NC(=O)c2cnoc2CO H943760
[2H]c1c(c(c(c(c1C(F)(F)F)[2H])[2H])NC(=O)c2cnoc2CO)[2H] H943762
CCNCC(=O)Nc1c(ccc(c1C)O)C H943800
[2H]C([2H])([2H])C([2H])([2H])NCC(=O)Nc1c(ccc(c1C)O)C H943802
CCN(CC)CC(=O)Nc1c(ccc(c1C)O)C H943820
[2H]C([2H])([2H])C([2H])([2H])N(CC)CC(=O)Nc1c(ccc(c1C)O)C H943822
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)[C@@H](C)[C@H](C)O H943850
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2ncc(c4)O)Cl)CC1 H943870
[2H]C1(CC(=C2c3ccc(cc3CCc4c2ncc(c4)O)Cl)CC(N1C(=O)OCC)([2H])[2H])[2H] H943872
CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3cc(ccn3)O H943880
CCCCC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)(F)F.C1CCC(CC1)NC2CCCCC2 H943890
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O)(F)F.C1CCC(CC1)NC2CCCCC2 H943892
CCCCC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCc2ccccc2)O)O)(F)F H943895
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC(C(CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCc2ccccc2)O)O)(F)F H943897
C(CC(C(=O)O)N)C(CN)O.Cl H943900
c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@@H]6[C@H](C5=O)C7CC6C[C@@H]7O.c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@H]6[C@@H](C5=O)C7CC6C[C@H]7O.Cl.Cl H943905
[2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@@H]4[C@H](C3=O)C5CC4C[C@@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].[2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@H]4[C@@H](C3=O)C5CC4C[C@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].Cl.Cl H943907
c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@@H]6[C@H](C5=O)C7CC6C[C@H]7O.c1ccc2c(c1)c(ns2)N3CCN(CC3)C[C@@H]4CCCC[C@H]4CN5C(=O)[C@H]6[C@@H](C5=O)C7CC6C[C@@H]7O.Cl.Cl H943910
[2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@@H]4[C@H](C3=O)C5CC4C[C@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].[2H]C1(C(N(C(C(N1C[C@@H]2CCCC[C@H]2CN3C(=O)[C@H]4[C@@H](C3=O)C5CC4C[C@@H]5O)([2H])[2H])([2H])[2H])c6c7ccccc7sn6)([2H])[2H])[2H].Cl.Cl H943912
C1=CC(=O)N(C1=O)O H943920
c1cc(cc(c1)O)C(C#N)O H944375
CC(=O)OC(C#N)c1cccc(c1)O H944380
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@](C4=CC(=O)CC[C@]34C)(C)O)C)OC(=O)C H944500
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@](C4=CC(=O)CC[C@]34C)(C)O)C)OC(=O)C H944505
c1cc(ccc1CNC(=O)[C@@H]2CCN2C(=O)[C@@H](C3CCCCC3)NCC(=O)O)C(=N)NO H944585
CC(=O)NCCc1c[nH]c2c1cc(c(c2)O)OC H944625
[2H]C([2H])(c1c[nH]c2c1cc(c(c2)O)OC)C([2H])([2H])NC(=O)C H944627
C[C@@]12C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)O)N)C.Cl H944700
CCOC(=O)C1(CCN(CC1)C)c2cccc(c2)O.Cl H944780
[2H]C1(CN(CC(C1(c2cccc(c2)O)C(=O)OCC)([2H])[2H])C)[2H].Cl H944782
CC[C@@]1(C(=O)N(C(=O)N1)C)c2ccc(cc2)O H944870
CCC1(C(=O)N(C(=O)N1)C)c2ccc(cc2)O H944875
[2H]C([2H])([2H])N1C(=O)C(NC1=O)(CC)c2ccc(cc2)O H944877
CC(CC(C)(COC(=O)N)COC(=O)N)O H945100
[2H]C([2H])(C(C)(CC(C)O)C([2H])([2H])OC(=O)N)OC(=O)N H945102
c1cc2c(cc1O)nc([nH]2)S H945720
C1[C@@H]2C(C[N@](C1)CC2)(O)CS H945735
c1c2c([nH]n1)nc(nc2O)S H945750
C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OC)O H945850
C[C@]12CC[C@@H]3c4ccc(c(c4CC[C@H]3[C@@H]1CC[C@]2(C#C)O)O)OC H945855
CN(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O H945925
[2H]C([2H])([2H])N(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O H945927
CC(Cc1ccc(c(c1)OC)O)N.Cl H945980
[2H]C([2H])([2H])Oc1cc(ccc1O)CC(C)N.Cl H945982
COc1cc(ccc1C=O)O H946030
[2H]C([2H])([2H])Oc1cc(ccc1O)C=O H946042
COc1cc(ccc1O)C=NOC H946070
[2H]C([2H])([2H])Oc1cc(ccc1O)C=NOC H946072
COc1ccc2c(c1)nc([nH]2)O H946100
CCOC(=O)CCC(CO)NC(=O)OC H946135
COc1ccc2c(c1)CCCC2(c3ccc(cc3)OCc4ccccc4)O H946150
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(C4=CC(=O)C=C[C@]34C)(COC)O H946155
[2H][C@](C([2H])([2H])CCCC(=O)OC)(C([2H])([2H])COC)O H946162
COc1ccc(cc1O)/C=C/C(=O)O H946180
[2H]C([2H])([2H])Oc1ccc(cc1O)/C=C/C(=O)O H946182
CCCCCCCCCCCCCCCC(=O)NCC(CO)OC H946210
[2H]C([2H])([2H])OC(c1ccccc1)(c2ccccc2)C(C(=O)OC)O H946292
CNCC[C@@H](c1cccs1)Oc2cccc3c2ccc(c3O)OC H946300
CNCC[C@@H](c1cccs1)Oc2cccc3c2ccc(c3OS(=O)(=O)[O-])OC.[Na+] H946305
CN1CC[C@]23CC4(CC[C@]2([C@H]1Cc5c3c(c(cc5)OC)Oc6ccccc6)O)OCCO4 H946310
CC(C)NCC(COCC(COc1ccc(cc1)CCOC)O)O H946315
COc1[nH]c(=O)c2cc[nH]c2n1 H946325
COc1cc2c(cc1O)CCC2=O H946328
COc1cc2c(cc1O)C(=O)CC2 H946329
COc1cc(ccc1O)C(C(=O)O)O H946330
[2H]C([2H])([2H])Oc1cc(ccc1O)C(C(=O)O)O H946332
CO[13c]1[13cH][13c]([13cH][13cH][13c]1O)C(C(=O)O)O H946333
CCOc1cc(ccc1C(=O)OCC)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)OCOC H946335
COc1cc(ccc1O)C(CO)O H946340
[2H]C([2H])([2H])Oc1cc(ccc1O)C(CO)O H946342
COc1ccc(cc1O)C(C(=O)O)O H946345
CC(C(=O)c1ccc(c(c1)OC)O)NC H946350
COc1ccc2c(c1)[C@]34CCN[C@H](C2)[C@@]3(CCC5(C4)OCCO5)O H946355
CN1CC[C@]23CC4(CC[C@]2([C@H]1Cc5c3cc(cc5)OC)O)OCCO4 H946360
COc1ccc(cc1O)CCC(=O)O H946365
[2H]C([2H])([2H])Oc1ccc(cc1O)CCC(=O)O H946367
Cc1cc(c(cc1OC)C(=O)C)O H946370
CC(C)(C)C(=O)/C=C/c1ccc(c(c1)OC)O H946375
CN(C(=O)[C@H](c1ccccc1)O)OC H946380
CC(=O)CC(=O)/C=C/c1ccc(c(c1)OC)O H946385
CC(C(c1ccc(c(c1)S(=O)(=O)N)OC)O)N.Cl H946390
[2H]C([2H])([2H])C(C(c1ccc(c(c1)S(=O)(=O)N)OC)O)[NH].Cl H946392
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@H](C4=CC(=O)C=C[C@]34C)CO H946395
CN1C2C[C@@H](CC1CC2)OC(=O)C(c3ccccc3)(CO)CO H946400
[2H]c1c(c(c(c(c1[2H])[2H])C(C(=O)O[C@H]2CC3N(C(C2)CC3)C)(CO)CO)[2H])[2H] H946402
Cc1c(cccc1O)C(=O)O H946405
[2H]C([2H])([2H])c1c(cccc1O)C(=O)O H946407
COc1ccc(cc1O)CC(=O)O H946410
COc1cc(ccc1O)C2SCCS2 H946420
CS(=O)(=O)SCc1ccc(cc1)CO H946440
c1ccc(cc1)CN2CCOC(C2)CO H946450
c1cc(ccc1CNC(=O)C(F)(F)F)CO H946460
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4c(nnn4)c5ccccc5c6ccc(cc6)CO H946465
CC(C)(C)OC(=O)N1CCOC[C@H]1CO H946470
CC(C)(C)OC(=O)N1CCOC[C@@H]1CO H946475
CC(C)(C)OC(=O)N1CCOC(C1)CO H946480
CC(C(C)O)C(=O)O H946485
CCOC(=O)C(C)C(C)O H946490
C/C(=C\CNc1c2c(cnn1)n(cn2)[C@H]3[C@H](C([C@H](O3)CO)O)O)/CO H946500
CC(C)C(C(=O)O)O H946510
C[C@@H]([C@@H](C(=O)NOC)NC(=O)OC(C)(C)C)O H946520
c1ccc2c(c1)C(c3ccccc3N2C(=O)N)CO H946550
c1cc(ccc1CO)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F H946580
[2H]c1c(c(c(c(c1n2c(cc(n2)C(F)(F)F)c3ccc(cc3)CO)[2H])[2H])S(=O)(=O)N)[2H] H946582
CCOC(=O)C([C@@H](CCCCCCCCCCCC(C)C)O)/N=C\1/C[C@@H]2C[C@H]([C@]1(C)O)C2(C)C H946595
CC(CCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl)O H946600
CCCC(c1nc(c(n1Cc2ccc(cc2)c3ccccc3c4n[nH]nn4)CO)Cl)O H946605
c1cc(ccc1C(=O)c2ccc(cc2CO)C#N)Cl H946610
c1cc2c3c(c1)[nH]cc3C[C@@H]4[C@@H]2C[C@H](CN4C#N)CO H946615
Cc1nc(cc(n1)N2CCN(CC2)CCO)Nc3ncc(s3)C(=O)Nc4c(cccc4Cl)CO H946625
c1c(c(nc(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)N)CO H946630
[2H]c1c(c(nc(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)N)C([2H])([2H])O H946632
[2H]C([2H])(c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C H946637
[2H]C([2H])([2H])C(C([2H])([2H])[2H])NCCC(c1ccccc1)c2cc(ccc2O)CO H946642
CC1(O[C@H](C[C@@H](O1)CO)CC(=O)OC(C)(C)C)C H946655
CC1(O[C@H](C[C@H](O1)CO)CC(=O)OC(C)(C)C)C H946660
CC1(O[C@@H](C[C@H](O1)CO)CC(=O)OC(C)(C)C)C H946665
CC1(O[C@@H](CC(O1)CO)CC(=O)OC(C)(C)C)C H946670
Cc1cc(cnc1C)CO H946690
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)/C(=C\O)/C[C@]34C H946700
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2([13C]#[13CH])O)CCC4=CC(=O)/C(=[13CH]\O)/C[C@]34C H946702
C[C@]12CC[C@@H](CC1=C[C@@H](C3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5C4=O)C)O)OC(=O)C(C)(C)C H946725
CC(C)NCC(COc1ccc(cc1)C=O)O H946735
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)C=O)O)NC(C)C H946737
CC(C)(C)OC(=O)n1cc(c2c1cccc2)CO H946760
Cc1c(cccc1C(C)c2cnc[nH]2)CO H946770
[2H]C([2H])(c1cccc(c1C)C(C)c2c[15n]c[15nH]2)O H946772
CC(C)NCC(COc1ccc(cc1)C(=O)OCCO)O H946790
CC(C)NCC(COc1ccc(cc1)C(=O)OCCOC(C)C)O.Cl H946800
Cc1ccccc1n2c(nc3ccc(cc3c2=O)O)C H946815
CN(C)CCc1c[nH]c2c1cc(cc2)CO H946830
[2H]C([2H])(c1ccc2c(c1)c(c[nH]2)C([2H])([2H])C([2H])([2H])N(C)C)O H946832
C[C@]12CCC(=O)C=C1C[C@@H]([C@@H]3[C@@H]2CC[C@]4([C@H]3[C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)C)CO H946850
CCOC(=O)c1c(nc([nH]1)CC(C)C)C(C)(C)O H946880
[2H]C([2H])([2H])C(c1c([nH]c(n1)CC(C)C)C(=O)OCC)(C([2H])([2H])[2H])O H946882
CCCc1[nH]c(c(n1)C(=O)OCC)C(C)(C)O H946900
CCC(C)(C)CN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O H946950
CC(C)CCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O H946955
CC(CO)Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O H946980
[2H]C([2H])([2H])C(CO)Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O H946982
C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC(=O)C4)C)O H946990
C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)O H946995
c1cc(oc1CO)C=O H947000
[13cH]1[13cH][13c](o[13c]1[13CH2]O)[13CH]=O H947002
c1cc(oc1CO)C(=O)O H947020
CC1=CC(=O)OC1O H947030
c1cc(oc1CO)CO H947050
CC(CC=C)(CC=C)O H947425
CC1(C(=O)NC(=O)N1)O H947500
c1c(nc[nH]1)CO.Cl H947625
c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].c1c(nc[nH]1)CO H947628
CC1C=C(NC1=O)NCCC[C@@H](C(=O)O)N H947635
[2H]C([2H])([C@@H](C(=O)O)N)C([2H])([2H])C([2H])([2H])NC1=NC(C(=O)N1)C H947637
Cc1cc(no1)O H947650
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nc(cc4)CO)Cl)CC1 H947745
CCOC(=O)N1CCC(=C2c3ccc(cc3CCc4c2nccc4CO)Cl)CC1 H947750
CC(C)c1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)CO H947765
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)NC(=O)C5CCC(CC5)(F)F)CO)C([2H])([2H])[2H] H947767
Cn1c(ncn1)CO H947770
CCCCCCCC/C=C\CCCCCCC(C)(C(=O)O)O H947775
CN1CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)CO H947780
[2H]C([2H])([2H])N1CCN(CC1)C2=Nc3ccccc3Nc4c2cc(s4)CO H947782
COC(=O)c1cc(cc(n1)C(=O)OC)CO H947790
Cc1c(sc(n1)c2ccc(cc2)C(F)(F)F)CO H947795
CN1C(=C(c2ccccc2S1(=O)=O)O)C(=O)Nc3ncc(s3)CO H947810
Cc1cc(nc(n1)OC(C(=O)O)C(c2ccccc2)(c3ccccc3)OC)CO H947815
[2H]C([2H])([2H])c1cc(nc(n1)OC(C(=O)O)C(c2ccccc2)(c3ccccc3)OC)CO H947817
CC(=C)[C@@H]1CCC(C=C1)(CO)O H947820
COc1ccc(cc1O)C=O H947825
[2H]C([2H])([2H])Oc1ccc(cc1O)C=O H947827
c1cc2c3c(c1)[nH]nc3-c4cc(ccc4C2=O)CO H947830
CC(=C)[C@@H]1CCC(C=C1)(COC(=O)C)O H947835
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(onc3c4c(cccc4Cl)F)CO)C(=O)O)C H947840
Cc1c(cccc1Nc2ccccc2C(=O)O)CO H947845
Cc1c(cccc1Nc2ccccc2C(=O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)C(=O)O)O)O)O)CO H947848
CC1(CCCCC1)CO H947850
c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2CO H947855
c1ccc(c(c1)C(=O)O)Nc2c(ccc(c2Cl)CO)Cl H947860
[2H]c1c(c(c(c(c1[2H])C(=O)O)Nc2c(ccc(c2Cl)CO)Cl)[2H])[2H] H947862
c1ccc(cc1)C(=O)c2ccc(cc2CO)C#N H947880
Cc1c([n+](cc(c1OC)CO)[O-])C H947890
CCCN(CCC)CCc1cccc2c1CC(=O)N2CO H947900
[2H]C([2H])(CC)N(CCc1cccc2c1CC(=O)N2CO)C([2H])([2H])CC H947902
CC[C@H]1CN2CC[C@@]3(c4c(cccc4OC)N=C3[C@@H]2C[C@@H]1/C(=C\OC)/C(=O)OC)O H947910
CCOC(=O)C(c1ccc(c(c1)O)OC)O H947920
Cc1ccccc1C(=O)OCc2cnc(c(c2OC)C)CO H947930
C[C@]12CC[C@@H](C1(C)C)[C@H]([C@@]2(C)O)O H947935
[2H]C([2H])([2H])[C@]1([C@@H]([C@H]2CC[C@]1(C2(C)C)C)O)O H947937
C[C@]12C[C@H]([C@@H](C1(C)C)C[C@@]2(C)O)O H947940
[2H]C([2H])([2H])[C@]1(C[C@H]2[C@@H](C[C@]1(C2(C)C)C)O)O H947942
C[C@]1(C[C@H]2C[C@H]([C@]1(C2(C)C)C)O)O H947945
[2H]C([2H])([2H])[C@]1(C[C@H]2C[C@@H]([C@]1(C2(C)C)C)O)O H947947
Cc1nnc(n1c2ccc(cc2C(=O)c3ccccc3)Cl)CO H947950
C[C@]1(CCC2=C1CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)CO H947965
[2H]C1=C[C@@]2([C@H]3CCC4=C([C@@H]3CC(C2=C(C1=O)[2H])([2H])[2H])CC[C@]4(C)CO)C H947967
C1COCC(N1)CO H947975
CN1CCC=C1c2ccc(nc2)O H947990
c1ccnc(c1)CO H947995
c1cc[n+](c(c1)CO)[O-] H948000
C[n+]1cccc(c1)O.[I-] H948005
[2H]C([2H])([2H])[n+]1cccc(c1)O.[I-] H948007
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]2([C@@]1(C)O)C H948010
Cc1cc(cc(c1OCC(C)N)C)O.Cl H948020
[2H]C([2H])([2H])C([2H])(C([2H])([2H])Oc1c(cc(cc1C)O)C)N.Cl H948022
Cc1cccc(c1OCC(C)NO)C.C(=O)(C(=O)O)O H948025
[2H]C([2H])([2H])C([2H])(C([2H])([2H])Oc1c(cccc1C)C)NO.C(=O)(C(=O)O)O H948027
CC(C)C(=O)Oc1ccc(cc1Cc2ccccc2)CO H948040
CC(C)(CO)NCC(c1cc(c(c(c1)Cl)N)Cl)O H948060
[2H]C([2H])([2H])C(CO)(C([2H])([2H])[2H])NCC(c1cc(c(c(c1)Cl)N)Cl)O H948062
c1cc(cnc1)C(=O)NCO H948100
C[C@H](CO)C(=O)N1CCC[C@H]1C(=O)O H948120
CN1CC[C@@H]([C@H]1c2cccnc2)CO H948175
Cc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3 H948180
[2H]C([2H])([2H])c1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccccc3 H948182
Cc1ccc(c(c1)C(CCO)c2ccccc2)O H948185
[2H]C([2H])(C([2H])([2H])O)C([2H])(c1ccccc1)c2cc(ccc2O)C H948187
CN1CC[C@@H]([C@H]1c2cccnc2)COC(=O)CCC(=O)O H948190
CN1CC[C@@H]([C@H]1c2cccnc2)COC(=O)CCC(=O)ON3C(=O)CCC3=O H948195
CC(C)(C1CC(OC1)O)[N+](=O)[O-] H948210
Cc1c(ccnc1C(=O)O)O H948220
Cc1c(cc[n+](c1C(=O)O)[O-])O H948225
Cc1c(ncc(c1OC)C(=O)OC)CO H948230
CC(C)(c1nc(c(c(n1)OC)O)C(=O)OC)NC(=O)OCc2ccccc2 H948240
[2H]C([2H])([2H])Oc1c(c(nc(n1)C(C)(C)NC(=O)OCc2ccccc2)C(=O)OC)O H948242
CC[C@@H](CO)N1CCCC1=O H948245
CNCCCN(C)N(N=O)O H948250
CC1(CC(C(N1O)(C)C)CO)C H948255
CC1(C=C(C(N1O)(C)C)CO)C H948260
[2H]C1=C(C([15N](C1(C([2H])([2H])[2H])C([2H])([2H])[2H])O)(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])O H948262
CC(CC(=O)O)(CC(=O)O)O H948263
CC1(CC(=O)OC(=O)C1)O H948265
[2H]C([2H])([2H])C1(CC(=O)OC(=O)C1)O H948267
Cn1c2cc(cnc2nc1O)c3ccccc3 H948270
c1ccc(cc1)n2cc(ccc2=O)CO H948275
[2H]c1c(c(c(c(c1[2H])[2H])n2cc(ccc2=O)CO)[2H])[2H] H948277
COCc1ccc(=O)n(c1)c2ccccc2 H948280
Cc1c2ccccc2c(=O)[nH]n1 H948285
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])O H948292
CN(C)CCCC1(c2ccccc2C=Cc3c1cc(cc3)O)O H948295
Cc1ccc(nc1)O H948300
Cc1ccnc(n1)O.Cl H948305
C1CC(=O)N[C@H]1CO H948310
c1cc(cc(c1)Nc2ccncc2S(=O)(=O)N)CO H948315
CN1C(CCC1=O)O H948320
Cc1c(cccn1)O H948325
[2H]C([2H])([2H])c1c(cccn1)O H948327
Cc1[nH]c(=O)c2cccc(c2n1)O H948330
C1C(CNC1=O)CO H948335
CCCN1CCC(CC1)(c2cccc(c2)SC)O H948340
CC(C)(C)OC(=O)N1CCC(CC1)(c2cccc(c2)SC)O H948345
C1[C@H](CN[C@@H]1CO)O.Cl H948350
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)CO H948355
CCC(C)(C)C(=O)O[C@H]1CC(C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)CO.[Na+] H948358
C[C@@H]1CCc2c(ccc3c2C(=O)c4cccc(c4C3=O)O)C1 H948360
CC(C)N(CC[C@H](c1ccccc1)c2cc(ccc2O)CO)C(C)C H948363
CC(C)N(CCC(c1ccccc1)c2cc(ccc2O)CO)C(C)C H948365
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N(CCC(c1ccccc1)c2cc(ccc2O)CO)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] H948367
CC(C)N(CC[C@H](c1ccccc1)c2cc(ccc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)CO)C(C)C H948368
c1ccc2c(c1)cnn3c2nnc3CO H948370
c1c(c(=O)[nH]c(=O)[nH]1)CO H948375
Cn1c(ccn1)O H948380
CS[13CH2][13CH2][13CH]([13C](=O)O)O H948387
CC(C)NCC(COc1ccc(cc1)C(COC)O)O H948390
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1)C(COC)O)O)NC(C)C H948392
c1c(n(c(n1)CO)CCO)[N+](=O)[O-] H948395
[2H]C([2H])(C([2H])([2H])O)n1c(cnc1CO)[N+](=O)[O-] H948397
CN1CCN2c3ccccc3Cc4cc(ccc4C2C1)O H948400
[2H]C([2H])([2H])N1CCN2c3ccccc3Cc4cc(ccc4C2C1)O H948402
CN1CCN2c3ccccc3Cc4cc(ccc4C2C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H948405
CN(C)CCc1cn(c2c1cc(cc2)Cn3cncn3)CO.C(=C/C(=O)O)\C(=O)O H948410
CC(CO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C H948415
c1ccc(c(c1)C2=NCc3cnc(n3-c4c2cc(cc4)Cl)CO)F H948420
c1ccc(c(c1)C2=NC[13c]3cn[13c](n3-c4c2cc(cc4)Cl)[13CH2]O)F H948422
[2H]c1c2n(c(n1)C([2H])([2H])O)-c3ccc(cc3C(=NC2([2H])[2H])c4ccccc4F)Cl H948423
Cc1ncc2n1-c3ccc(cc3C(=NC2O)c4ccccc4F)Cl H948425
[2H]c1c2n(c(n1)C([2H])([2H])[2H])-c3ccc(cc3C(=NC2([2H])O)c4ccccc4F)Cl.CO H948427
c1ccc(c(c1)C2=NCc3cnc(n3-c4c2cc(cc4)Cl)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)F H948430
Cc1ncc2n1-c3ccc(cc3C(=NC2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)c5ccccc5F)Cl H948435
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OCc2ncc3n2-c4ccc(cc4C(=NC3)c5ccccc5F)Cl)C(=O)OC)OC(=O)C H948440
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C#CCO)O)c5ccc(cc5)N(C)C H948445
[2H]C([2H])([2H])N(c1ccc(cc1)[C@H]2C[C@]3([C@@H](CC[C@]3(C#CCO)O)[C@H]4C2=C5CCC(=O)C=C5CC4)C)C([2H])([2H])[2H] H948447
CN1CCN2c3c(cc(cn3)O)Cc4ccccc4C2C1 H948450
[2H]C([2H])([2H])N1CCN2c3c(cc(cn3)O)Cc4ccccc4C2C1 H948452
CN1CCN2c3c(cc(cn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccccc5C2C1 H948455
[2H]C([2H])([2H])N1CCN2c3c(cc(cn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cc5ccccc5C2C1 H948457
CC(C)(c1ccccc1[C@@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)O H948460
CC(C)(c1ccccc1[C@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)O H948461
[2H]C([2H])([2H])C(c1ccccc1[C@@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)(C([2H])([2H])[2H])O H948462
[2H]C([2H])([2H])C(c1ccccc1[C@H](C[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)(C([2H])([2H])[2H])O H948463
CC(C)(c1cc(ccc1CCC(c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)CC(=O)O)O)O H948465
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@H]3[C@H]1C5)O)O H948470
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@H]3[C@H]1C5)O)O H948472
C1COCCN1c2c(nsn2)O H948475
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cc3c(nc2)N4CCN(CC4c5ccccc5C3)C)C(=O)OC)OC(=O)C H948480
c1c2c(c(c(c1F)N3C[C@@H]4CCCN[C@@H]4C3)O)n(cc(c2=O)C(=O)O)C5CC5.Br H948485
CCCCCCCC(CCCCCC(=O)O)O H948490
CCCC(CCCCCCCCCC(=O)O)O H948495
CCCCCCCCCCCCC(C(=O)O)O H948500
CCCCCCCCCCC[C@H](CC(=O)O)O H948505
CCCCCCCCCCC[C@H](CC(=O)OC)O H948508
CCCCCCCCCCC[C@@H](CC(=O)O)O H948510
CCCCCCCCCCC[C@@H](CC(=O)OC)O H948512
CCCCCCCCCCC[C@H](CC(=O)O)O.C1CCC(CC1)NC2CCCCC2 H948515
c1cc2cc(ccc2cc1CC(=O)O)O H948520
COC(=O)Cc1ccc2cc(ccc2c1)O H948525
c1cc2c(cc1F)CCC(O2)C(CNCC(C3CC(c4cc(ccc4O3)F)O)O)O.O.Cl H948530
COc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2O)[C@@]5(CCC4=O)O)CC6CC6 H948535
c1cc(c2c3c1C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)C[C@@H]5O)O)O H948540
c1cc(ncc1C(=O)O)O H948545
c1cc(ncc1C(=O)NCCO[N+](=O)[O-])O H948550
CN1CCC[C@H]1c2ccc(nc2)O H948555
CS(=O)(=O)Nc1ccc(cc1Oc2ccc(cc2)O)[N+](=O)[O-] H948560
[2H]c1c(c(c(c(c1O)[2H])[2H])Oc2cc(ccc2NS(=O)(=O)C)[N+](=O)[O-])[2H] H948562
c1c(cncc1O)C(=O)O H948565
CC(c1nn(c(=O)n1CCOc2ccccc2)CCCN3CCN(CC3)c4cccc(c4)Cl)O H948570
[2H]C([2H])(C([2H])([2H])n1c(=O)n(c(n1)C(C)O)CCOc2ccccc2)C([2H])([2H])N3CCN(CC3)c4cccc(c4)Cl.Cl H948572
c1ccc2cc(ccc2c1)C(O)P(=O)(O)O H948575
c1cc2ccc(cc2c(c1)O)OCC(=O)O H948580
c1ccc2cc(c(cc2c1)O)OCC(=O)O H948585
c1cc(cc2c1cc(cc2)OCC(=O)O)O H948590
c1ccc2c(c1)ccc(c2O)OCC(=O)O H948595
CC(=O)c1cccc(c1[N+](=O)[O-])O H948600
Cc1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)O H948625
[2H]C([2H])([2H])c1cc(nc2c1NC(=O)c3cccnc3N2C4CC4)O H948627
Cc1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)O H948630
[2H]C([2H])([2H])c1c(cnc2c1NC(=O)c3cccnc3N2C4CC4)O H948632
c1cc(c2c3c1C([C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O)O H948635
c1cc(c(cc1[N+](=O)[O-])O)C=O H948640
C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1[C@@H]5O)O)O H948645
CC(C)(c1ccccc1CC[C@H](c2cccc(c2)/C=C/c3ccc4ccc(cc4n3)Cl)SCC5(CC5)C(C(=O)O)O)O H948650
c1cc2cc(cc-3c2c(c1)-c4c3cccc4O)[N+](=O)[O-] H948655
C=CCN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1[C@H]5O)O)O H948660
c1c(oc(c1O)[N+](=O)[O-])/C=N/N2CC(=O)NC2=O H948665
CCCCCCCCCCCCCCCC(=O)Nc1cc(ccc1O)[N+](=O)[O-] H948670
c1cc(c(cc1[As](=O)(O)O)[N+](=O)[O-])O H948680
c1cc(c(cc1CC(=O)O)[N+](=O)[O-])O H948685
[2H]c1c(c(c(c(c1C([2H])([2H])C(=O)O)[2H])[N+](=O)[O-])O)[2H] H948687
c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3O)[N+](=O)[O-] H948690
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)O)[N+](=O)[O-] H948695
[2H]c1c(c(c(c(c1[2H])[2H])CCC(C(=O)OCC)O)[2H])[2H] H949102
[2H]C([2H])([2H])C(=O)C([2H])([2H])Cc1ccc(cc1)O H949107
COc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)O H949120
[2H]C([2H])([2H])Oc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)O H949121
COc1cc(ccc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949122
COc1cc(ccc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949124
COc1ccc(cc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)O H949125
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1c3ccccc3[nH]2)O)NCCOc4cc(ccc4OC)O H949126
COc1ccc(cc1OCCNC[C@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949127
COc1ccc(cc1OCCNC[C@@H](COc2cccc3c2c4ccccc4[nH]3)O)O H949129
C1[C@H](CN[C@@H]1C(=O)O)O H952376
[2H][C@@]1(C([C@H](NC1([2H])[2H])C(=O)O)([2H])[2H])O H952377
[2H][C@]1(C[C@H](C(N1)([2H])[2H])O)C(=O)O H952378
C1[C@H](CN[C@@H]1C(=O)O)O H952380
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@H]34)O H948715
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C(C(=O)CC[C@H]34)O)C)O H948717
c1cc(c(nc1)O)C(=O)O H948725
c1cc(c(cc1NO)C(F)(F)F)[N+](=O)[O-] H948750
CCCCCCCC/C=C\CCCCCCC(C(=O)O)O H948765
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\CCCCCCC(C(=O)O)O H948767
CN(C)CC/C=C\1/c2ccccc2COc3c1cc(cc3)C(C(=O)O)O.Cl H948770
CCCCCCCCC(=O)c1ccccc1O H948780
CCCCCCCCC(=O)[13c]1[13cH][13cH][13cH][13cH][13c]1O H948782
CCCCCCC(CC(=O)O)O H948785
CCCCCCCCC(=O)c1ccc(cc1)O H948790
CCCCCCCCC(=O)[13c]1[13cH]c[13c]([13cH][13cH]1)O.C#C H948792
CC[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@]2(C#C)O)O)CCC4=CC(=O)CC[C@H]34 H948795
C(CNC(=N)NO)[C@@H](C(=O)O)N H948800
c1ccc(cc1)N(C2CCNCC2)C(=O)CCO H948805
[2H]c1c(c(c(c(c1[2H])[2H])N(C2CCNCC2)C(=O)CCO)[2H])[2H] H948807
CCn1cc(c(=O)c2c1cc(c(c2)F)N3CCN(CC3)O)C(=O)O H948810
CNCC/C=C\1/c2ccccc2CC(c3c1cccc3)O H948815
CNCC/C=C/1\c2ccccc2CC(c3c1cccc3)O.C(=C\C(=O)O)\C(=O)O H948820
C#CCCCCCC/C=C\CCCCCCC(C(=O)O)O H948825
CC(C(c1ccccc1)O)NCCO.Cl H948830
[2H]c1c(c(c(c(c1[2H])[2H])C(C(C)NCCO)O)[2H])[2H].Cl H948832
CC(=O)/C=C/C(CCCNC(=O)OCc1ccccc1)O H948835
CCOC(=O)CC[C@@H](C(=O)OCC)O H948840
Cc1cnc(c(c1O)C)CSc2[nH]c3ccc(cc3n2)OC H948845
c1cc(cnc1)[C@H]2C[C@@H](C(=O)N2)O H948850
C(CCO)CC(C(=O)O)N H948855
C(CCO)C[C@@H](C(=O)O)N H948858
Cc1cnc(c(c1O)C)CS(=O)c2[nH]c3ccc(cc3n2)OC H948860
Cc1c(ncc(c1OC)CO)CS(=O)c2[n-]c3ccc(cc3n2)OC.[Na+] H948863
[2H]C([2H])([2H])Oc1ccc2c(c1)nc([n-]2)S(=O)Cc3c(c(c(cn3)CO)OC)C.[Na+] H948864
CC(=O)CCCCCC/C=C\CCCCCCC(C(=O)O)O H948870
c1ccc(cc1)C(=O)C[C@@H](C(=O)O)O H948875
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)C[C@H](C(=O)O)O)[2H])[2H] H948878
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(CC[C@]3([C@@H]1C5)O)O)O H948880
[2H]C([2H])([2H])N1CC[C@]23c4c5ccc(c4O[C@H]2C(CC[C@]3([C@@H]1C5)O)O)O H948882
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@@H](CC[C@]3([C@H]1C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O H948885
[2H][C@]12[C@](C(C[C@@]3([C@]14CCN([C@@H]3Cc5c4c(c(cc5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O2)C)O)([2H])[2H])([2H])O H948887
CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c4ccccc4)NC(=O)c5ccccc5)O)O)OC(=O)c6ccccc6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C H948890
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H]([C@@H]([C@@H]6[C@]5(CO6)OC(=O)C)O)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] H948892
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc(cc5)O)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C H948895
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)N[C@@H](c2ccc(cc2)O)[C@H](C(=O)O[C@H]3C[C@]4([C@H]([C@H]5[C@@]([C@H](C[C@@H]6[C@]5(CO6)OC(=O)C)O)(C(=O)[C@@H](C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)c7ccccc7)O)O)[2H])[2H] H948897
C1CCSC(C1)O H948900
C1CCC(CC1)C([C@H]2CC[C@H](CC2)O)CC3NCCCC3 H948905
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C([C@H]2CC[C@H](CC2)O)CC3NCCCC3)[2H])([2H])[2H])([2H])[2H])[2H] H948907
C1CCC(CC1)C([C@H]2CC[C@@H](CC2)O)CC3NCCCC3 H948910
[2H]C1(C(C(C(C(C1([2H])[2H])([2H])[2H])(C([C@H]2CC[C@@H](CC2)O)CC3NCCCC3)[2H])([2H])[2H])([2H])[2H])[2H] H948912
COc1cc(c(cc1O)CN(CCc2ccc(cc2)O)C=O)Br H948915
c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](CNc3ccc(cc3)N4CCOCC4=O)O H948920
[2H]c1c(c(c(c(c1NC[C@H](CN2C(=O)c3ccccc3C2=O)O)[2H])[2H])N4CCOCC4=O)[2H] H948922
CN(C)c1ccc(c2c1cc3c(c2O)C(=O)[C@]4([C@@H](C3)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O H948925
COc1ccc(cc1O)CNCCc2ccc(cc2)O H948930
COc1ccc(cc1O)CN(CCc2ccc(cc2)O)C=O H948935
Cc1cnc(c(c1O)C)CS(=O)(=O)c2[nH]c3ccc(cc3n2)OC H948940
CC(C)(C)NC[C@@H](COc1ccc(cc1C2CCCC2)O)O.Cl H948945
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC[C@@H](COc1ccc(cc1C2CCCC2)O)O.Cl H948947
c1ccc(cc1)C2(CCCCC2)N3CCC(CC3)O H948950
[2H]c1c(c(c(c(c1[2H])[2H])C2(CCCCC2)N3CCC(CC3)O)[2H])[2H] H948952
c1ccc(cc1)N(C2CCNCC2)C(=O)CCO[C@H]3C([C@H]([C@@H](C(O3)O)O)O)O H948955
CCC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)O H948960
[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)c2ccc(cc2)O H948962
c1ccc(cc1)C(=O)c2ccc(cc2Oc3ccccc3O)[N+](=O)[O-] H948975
c1ccc(cc1)C(=O)c2ccc(cc2O[13c]3[13cH][13cH][13cH][13cH][13c]3O)[N+](=O)[O-] H948977
C=CC[C@H]([C@H](C=C)O)C(=O)N1[C@@H](COC1=O)Cc2ccccc2 H948980
CC(C)(Cc1ccccc1)NO.Cl H948990
C[C@]12CC[C@@H]3[C@H]4CCC5(CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O)OCCO5 H949000
C1[C@H]([C@H]([C@@H]2[C@H]1O2)O)CO H949005
C[C@]12CC=C3[C@H]([C@@H]1CC[C@]2(CC#N)O)CCC4=C3CCC(=O)C4 H949010
C[C@H](CC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)C H949015
C(CCCC/C=C\C=C\C(=O)CCCC(=O)O)CCCCO H949020
c1cc(ccc1CC=O)O H949050
c1cc(ccc1CC(=O)O)O H949060
c1ccc(c(c1)CC(=O)O)O H949065
c1cc(cc(c1)O)CC(=O)O H949070
[2H]C([2H])([2H])/C(=N\O)/C([2H])([2H])Cc1ccc(cc1)O H949077
c1cc(ccc1CC#N)O H949080
c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O H949085
c1ccc(cc1)CC[C@@H](C(=O)O)O H949090
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)O)O)[2H])[2H] H949093
CCOC(=O)[C@H](CCc1ccccc1)O H949095
CCOC(=O)[C@@H](CCc1ccccc1)O H949096
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@H](C(=O)OCC)O)[2H])[2H] H949098
COc1ccc(cc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OS(=O)(=O)[O-].[NH4+] H949135
COc1cc(ccc1OCCNCC(COc2cccc3c2c4ccccc4[nH]3)O)OS(=O)(=O)[O-].[NH4+] H949140
[2H]c1c(c(c(c(c1[2H])C2(CCCCC2)O)Cl)[2H])[2H] H949187
CCC1(C(=O)NC(=O)N1)c2ccc(cc2)O H949220
CC[C@]1(C(=O)NC(=O)N1)c2ccc(cc2)O H949225
CC[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)O H949226
COC(=O)[C@@H]1C[C@H](CN1C2(c3ccccc3-c4c2cccc4)c5ccccc5)O H949230
[2H]c1c(c(c(c(c1[C@H](C(=O)O)N)[2H])[2H])O)[2H] H949252
c1cc(ccc1CCCCCC(=O)O)O H949275
CC(=O)NCCN(C)c1cccc(c1)O H949285
c1ccc(cc1)C2(C(=O)NC(=O)N2)c3cccc(c3)O H949300
COC(=O)c1ccc2c(c1)C(CC(O2)O)c3ccccc3 H949340
Cc1ccc(=O)n(c1)c2ccc(cc2)O H949400
[2H]c1c(c(c(c(c1n2cc(ccc2=O)C)[2H])[2H])O)[2H] H949402
c1ccc(cc1)C(c2ccc(cc2)O)C(=O)c3ccccc3 H949410
CCC(c1ccccc1)C(=O)c2ccc(cc2)O H949415
CCC(c1ccc(cc1)O)C(=O)c2ccccc2 H949420
c1ccc(cc1)COc2ccc(cc2)/C(=C(\CCO)/c3ccccc3)/c4ccc(cc4)O H949425
c1ccc(cc1)/C=C/C(=O)c2ccccc2O H949430
[2H]c1c(c(c(c(c1[2H])[2H])/C=C/C(=O)c2ccccc2O)[2H])[2H] H949432
c1cc(ccc1CC(=O)c2c(cc(cc2O)O)O)O H949445
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])c2ccc(cc2)O)([2H])[2H])[2H] H949467
c1cc(ccc1CCC#N)O H949500
c1ccc(cc1)CCC(=O)c2ccccc2O H949600
[2H]c1c(c(c(c(c1[2H])[2H])CCC(=O)c2ccccc2O)[2H])[2H] H949602
CCCc1c2c(c(=O)[nH]c(n2)c3ccccc3O)[nH]n1 H949800
COC(=O)c1ccc(c(c1)[C@@H](CCO)c2ccccc2)O H949900
c1ccc(c(c1)C2CO2)O H950100
c1cc(ccc1C2CO2)O H950110
c1ccc(cc1)n2c3c(cn2)c(ncn3)O H950750
Cn1c2cc(cnc2nc1N)c3ccc(cc3)O H950760
Cn1c2cc(c(nc2nc1N)O)c3ccccc3 H950765
CC(C)c1cc(cc(c1O)C(C)C)O H950770
CC(C)c1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(C)C)O H950775
CC(C)c1cc(cc(c1O)C(C)C)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O H950780
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(C4=CC(=O)CC[C@]34C)CO)C)OC(=O)C H950785
Cc1cc(c(=O)n(c1)c2ccccc2)O H950790
[2H]c1c(c(c(c(c1[2H])[2H])n2cc(cc(c2=O)O)C)[2H])[2H] H950792
c1cc(c(cc1[N+](=O)[O-])CCl)O H950793
c1ccn(c(=O)c1)c2ccc(cc2)O H950795
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)O)c2ccccc2[N+](=O)[O-])C(=O)OC H950800
[2H]C([2H])([2H])C(COC(=O)C1=C(NC(=C(C1c2ccccc2[N+](=O)[O-])C(=O)OC)C)C)(C([2H])([2H])[2H])O H950802
CCCCCC(CC(=O)O)O H950805
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])(CC(=O)O)O H950807
CCOC(=O)C1=C(c2ccccc2NC(=O)C1)O H950810
c1ccc(c(c1)O)OCCN H950813
c1cc(ccc1N2CCCCC2=O)O H950815
c1cc(ccc1CCC(=O)O)O H950820
c1ccc(cc1)c2cc(c[nH]2)O H950825
CCCC(=O)Nc1ccc(c(c1)C(=O)C)OCC(COc2ccc(cc2C(=O)C)NC(=O)CCC)O H950830
CC(C)c1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)OC)O)O)O)C(C)C)O H950840
c1ccc2c(c1)ccc(c2O)C(=O)O H950850
Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccc(cc4)O)NC(=O)C5CCC(CC5)(F)F)C(C)C H950860
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccc(cc4)O)NC(=O)C5CCC(CC5)(F)F)C)C([2H])([2H])[2H] H950862
c1cc([nH]c1)CO H950865
c1cc([nH]c1)CO H950870
CN1C[C@H](OC1=O)c2cccc(c2)O H950880
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2cccc(c2)[C@@H]3CN(C(=O)O3)C)C(=O)OC)OC(=O)C H950890
[2H]C([2H])(CCCC(=O)OC)C([2H])(C([2H])([2H])CSCc1ccccc1)O H950902
c1cc(cc(c1)O)CC(=S)N2CCOCC2 H950910
CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OC(=O)C(C)(C)C)/c3ccccc3 H950945
CC/C(=C(/c1ccc(cc1)O)\c2ccc(cc2)OC(=O)C(C)(C)C)/c3ccccc3 H950950
CC(C)[N+](C)(CCOC(=O)C1(c2ccccc2Oc3c1cccc3)O)C(C)C.[Br-] H950970
[2H]C([2H])([2H])[N+](CCOC(=O)C1(c2ccccc2Oc3c1cccc3)O)(C(C)C)C(C)C.[Br-] H950972
C(CO)C#N H951000
[2H]C([2H])(CO)C#N H951002
CCCCCCCCC/C=C\C=C\[C@H](CCCC(=O)O)O H951080
Cc1nccn1CC2CCc3c(c4cc(ccc4n3C)O)C2=O H951145
Cc1nccn1CC2CCc3c(c4ccc(cc4n3C)O)C2=O H951150
Cc1nccn1CC2CCc3c(c4cccc(c4n3C)O)C2=O H951155
CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@@H]1C5O)O)O H951200
c1cc(cc(c1)Oc2ccc(cc2)O)C(=O)O H951225
c1cc(cc(c1)Oc2ccc(cc2)O)CO H951235
c1ccc2c(c1)c(=O)nc(o2)c3ccccc3O H951240
[2H]c1c(c(c2c(c1[2H])c(=O)nc(o2)c3ccccc3O)[2H])[2H].[2H]c1c(c(c(c(c1[2H])c2nc(=O)c3ccccc3o2)O)[2H])[2H] H951242
CC(=O)/C=C/c1cccc(c1)O H951250
c1cc(ccc1c2c(=O)[nH]ccn2)O H951260
c1cc(ncc1O)C(=O)O H951275
C[C@]1([C@@H]2C[C@@H](C2(C)C)CC1=O)O H952000
C[C@@]1([C@H]2CC(C2(C)C)CC1=O)O H952020
c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)CCO H952060
c1cc(ccc1CC2C(=O)NC(=O)S2)OCCc3ccc(cn3)CCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H952065
CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H952070
CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)S3)O H952075
[2H]C1(C(=O)NC(=O)S1)Cc2ccc(cc2)OCCc3ccc(cn3)C([2H])(C([2H])([2H])[2H])O H952077
CCc1ccc(nc1)C(COc2ccc(cc2)CC3C(=O)NC(=O)S3)O H952080
CCc1ccc(nc1)CCOc2ccc(cc2)CC3(C(=O)NC(=O)S3)O H952085
CCCN[C@H]1CCc2c(sc(n2)N)[C@H]1O H952140
CCCN[C@H]1CCc2c(sc(n2)N)[C@@H]1O H952145
CCC(C)(C)C(=O)O[C@H]1C[C@@](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)OO H952170
CCC(C)(C)C(=O)O[C@H]1C[C@](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)OO H952175
CCC(C)(C)C(=O)O[C@H]1CC(=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)OO)C H952180
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC=C2C(=O)CO)CCC4=CC(=O)C=C[C@]34C H952210
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C H952215
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C H952275
C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)[O-])O)O)OC(=O)[C@@H](C)[C@@H](C)O)O.[Na+] H952285
C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@H](C[C@H](CC(=O)[O-])O)O)OC(=O)[C@@H](C)[C@H](C)O)O.[Na+] H952290
C[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)[C@@H](C)[C@H](C)O)O H952293
C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C H952295
CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O H952300
[2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O H952302
CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O H952305
CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O.[Na+] H952310
[2H]C([2H])([2H])[C@H](CC)C(=O)O[C@H]1CC=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O.[Na+] H952312
CC[C@H](C)C(=O)O[C@H]1CC=CC2=C[C@@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)[O-])O)O)C)O.[Na+] H952315
[2H]C([2H])([2H])C(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O H952322
CN1CCN(CC1)CCCN2c3ccc(cc3Sc4c2cc(cc4)Cl)O H952325
[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CCCN2c3ccc(cc3Sc4c2cc(cc4)Cl)O)([2H])[2H])[2H] H952327
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H952330
[2H]C1=C2[C@](CC(C1=O)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)C([2H])([2H])[2H])O)C)C H952332
CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C H952335
C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@]5(C6(OCCO6)C)O)C)OCCO3 H952340
CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C H952345
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)C[C@H](C4=CC(=O)C=C[C@]34C)O)O H952350
C[C@]12C[C@@H]([C@H]3[C@H]([C@@]1(CC[C@@]2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O H952355
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O H952360
C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2([C@@H](CO)O)O)CCC4=CC(=O)C=C[C@]34C)O H952361
Cc1ccc(cc1)S(=O)(=O)O.c1ccc(cc1)COC(=O)[C@H]2C[C@H](CN2)O H952365
CCCN(CC(C)O)S(=O)(=O)c1ccc(cc1)C(=O)O H952370
[2H]C([2H])([2H])C([2H])(C([2H])([2H])N(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O)O H952372
C1[C@@H](CN[C@@H]1C(=O)O)O H952375
C1[C@@H](CN[C@@H]1C(=O)O)O.Cl H952385
c1ccc2cc(ccc2c1)NC(=O)[C@@H]3C[C@H](CN3)O H952390
COC(=O)[C@@H]1C[C@H](CN1)O.Cl H952395
c1cc2c(cc1)C3N(C(=O)CN(C3)C(=O)C4CC[C@@H](CC4)O)CC2 H952400
[2H][C@]1(C(CC(CC1([2H])[2H])C(=O)N2CC(=O)N3C(C2)c4c(cccc4)CC3)([2H])[2H])O H952402
c1cc2c(cc1)C3N(C(=O)CN(C3)C(=O)C4CC[C@@H](CC4)O)CC2 H952405
[2H][C@]1(C(CC(CC1([2H])[2H])C(=O)N2CC(=O)N3C(C2)c4c(cccc4)CC3)([2H])[2H])O H952407
CC1=C(C[C@H](C[C@@H]1O)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C H952410
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O)C H952415
CN(C)CCCN1c2ccccc2Sc3c1cc(cc3)O H952420
[2H]C([2H])([2H])N(CCCN1c2ccccc2Sc3c1cc(cc3)O)C([2H])([2H])[2H] H952422
CC(=O)[C@H]1C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H952425
CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O H952430
CCCNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H952435
[2H]C([2H])([2H])C([2H])([2H])CNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O H952437
[2H]C(=C([2H])[C@@]1(C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O)O)[2H] H953247
c1cc(=O)[nH]c2c1cc(cc2)O H953250
c1cc(cc2c1ccc(=O)[nH]2)O H953255
c1cc2cccnc2c(c1)O H953265
c1cc2ccc[n+](c2c(c1)O)[O-] H953270
CCOc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)O H953280
[2H]C([2H])([2H])C([2H])([2H])Oc1cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)O H953282
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)OC(=O)C)C H956730
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@H](C[C@]34C)O H956735
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@@H](C[C@]34C)O H956740
CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2O)c3ccccc3 H995750
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C H995800
[2H]C([2H])([2H])[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)C(C)C H995802
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C H995805
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C H995820
CCCNCC(COc1cc(ccc1C(=O)CCc2ccccc2)O)O.Cl H952445
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1cc(ccc1C(=O)CCc2ccccc2)O)O)NCCC.Cl H952447
CCCNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)O.Cl H952450
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccc(cc1C(=O)CCc2ccccc2)O)O)NCCC.Cl H952452
CCCNC[C@H](COc1ccc(cc1C(=O)CCc2ccccc2)O)O.Cl H952455
CCCNC[C@@H](COc1ccc(cc1C(=O)CCc2ccccc2)O)O.Cl H952460
CCCNCC(COc1ccc(cc1C(=O)CCc2ccccc2)O)OS(=O)(=O)O H952465
Cc1ccc(cc1)S(=O)(=O)O[13CH2][13CH2][13C]#N H952472
C(=O)C(C=O)O H952475
C(CO)C(=O)[O-].[Na+] H952480
CCCn1cnc2c1c(=O)n(c(=O)n2C)CCCCC(C)O H952485
[2H]C([2H])(CC(C)O)C([2H])([2H])C([2H])([2H])n1c(=O)c2c(ncn2CCC)n(c1=O)C H952487
c1ccc(cc1)CCC(=O)c2ccccc2OCC(COc3ccccc3C(=O)CCc4ccccc4)O H952500
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1ccccc1C(=O)CCc2ccccc2)O)Oc3ccccc3C(=O)CCc4ccccc4 H952502
CC(C)NCC(COc1ccc(c2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)O)O)O)O H952520
C(CO)C(=O)N H952525
CC(C)NC[C@H](COc1ccc(c2c1cccc2)O)O.Br H952530
CC(C)NC[C@@H](COc1ccc(c2c1cccc2)O)O.Cl H952531
CC(C)NC[C@@H](COc1ccc(c2c1cccc2)O)O.Br H952533
CC(C)NCC(COc1ccc(c2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O H952535
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(c2c1cccc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O H952537
CC(C)NCC(COc1cccc2c1cccc2O)O.Cl H952540
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1cccc2O)O)NC(C)C H952542
CCCNCC(COc1ccc(c2c1cccc2)O)O H952545
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(c2c1cccc2)O)O H952547
CC(C)NCC(COc1ccc(c2c1cccc2)OS(=O)(=O)O)O H952550
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COc1ccc(c2c1cccc2)OS(=O)(=O)O)O H952552
CC(C)NCC(COc1cccc2c1cc(cc2)O)O H952555
[2H]C([2H])(C([2H])(C([2H])([2H])Oc1cccc2c1cc(cc2)O)O)NC(C)C H952557
C[C@H](Cn1cnc2c1ncnc2N)O H952560
[2H]C([2H])([2H])C([2H])(C([2H])([2H])n1cnc2c1ncnc2N)O H952562
*OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O*)O*)O[C@@H]4[C@H](O[C@H]([C@@H](C4O*)O*)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O*)O*)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O*)O*)O[C@@H]7[C@H](O[C@@H]([C@@H](C7O*)O*)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O*)O*)CO*)CO*)CO*)CO*)CO*)CO*)O*)O*.CCC(C)O H952565
c1cc(ccc1C(=O)O)NCCCO H952570
C(CO)CSC[C@@H](C(=O)O)N H952575
C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5([13CH2][13CH2][13CH2]O)O)C)O)O H952582
C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5(C#CCO)O)C)O)O H952585
C[C@]12CC[C@@H](C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@]5([13C]#[13C][13CH2]O)O)C)O)O H952587
CC(Cn1cnc2c1c(=O)[nH]c(n2)N)O H952590
[2H]C([2H])([2H])C([2H])(C([2H])([2H])n1cnc2c1c(=O)[nH]c(n2)N)O H952592
C[C@H](COS(=O)(=O)C)O H952598
C[C@@H](COS(=O)(=O)C)O H952599
CC(COS(=O)(=O)C)O H952600
COc1ccc(cc1)CSCCCO H952605
CC(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O.Cl H952610
[2H]C([2H])([2H])C(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O.Cl H952612
CC(COc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O)O H952615
[2H]C([2H])(C([2H])(C)O)Oc1c2c(nc(n1)N)n(cn2)[C@H]3C[C@H]([C@H](O3)CO)O H952617
C1COC(=O)N1CCCO H952620
CC(=O)OCCCN1CCOC1=O H952625
CCCC(C(C=C)O)C(=O)OCC H952630
CC(CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N.CC(CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O H952635
[2H]C([2H])([2H])C([2H])(C([2H])([2H])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O.[2H]C([2H])([2H])C([2H])(C([2H])([2H])O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N H952637
CC(Cn1cnc2c1c(=O)n(c(=O)n2C)C)O H952640
CNCCCC1c2ccccc2C=C(c3c1cccc3)O H952650
c1c(ncc(n1)O)C(=O)O H952675
c1cc2ccc3ccc(c4c3c2c(c1)cc4)O H952700
[2H]c1c(c2c(c(c3c(c(c(c4c3c2c(c1[2H])c(c4[2H])[2H])O)[2H])[2H])[2H])[2H])[2H] H952702
c1cc2ccc3ccc(c4c3c2c(c1)cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O H952750
[2H]c1c(c2c(c(c3c(c(c(c4c3c2c(c1[2H])c(c4[2H])[2H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)[2H])[2H])[2H])[2H])[2H] H952752
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc2ccc3ccc4cccc5c4c3c2cc5)O)O)O H952760
c1ccc2c(c1)C(=C(C2=O)c3ccncc3)O H952820
c1cc(cnc1)C(CCC(=O)O)O.C1CCC(CC1)NC2CCCCC2 H952970
[2H]C([2H])(C(=O)O)C([2H])([2H])C([2H])(c1cccnc1)O H952972
c1cc(cnc1)C(=O)CCCO H953000
[2H]C([2H])(CCC(=O)c1cccnc1)O H953001
[2H]C([2H])(CC(=O)c1cccnc1)C([2H])([2H])O H953005
C1[C@H](CNC1=O)O H953070
C1[C@@H](CNC1=O)O H953075
C1C(CNC1=O)O H953080
c1ccnc(c1)O H953170
B1(OC(C(O1)(C)C)(C)C)c2ccc(nc2)O H953180
C(C(=O)C(=O)O)OP(=O)(O)O H953190
c1cc(cnc1)O H953195
Cc1cc(nc(n1)Nc2ccc(cc2)O)C H953205
[2H]c1c(c(c(c(c1Nc2nc(cc(n2)C)C)[2H])[2H])O)[2H] H953207
c1c(cncn1)O H953210
c1cc(ccc1COC(=O)N2C[C@@H](C[C@H]2C(=O)O)O)[N+](=O)[O-] H953215
c1ccc2c(c1)C(=Nc3ccc(cc3S2=O)O)N4CCN(CC4)CCOCCO H953220
c1ccc2c(c1)C(=Nc3ccc(cc3S2)O)N4CCN(CC4)CCOCCO H953225
[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C2=Nc3ccc(cc3Sc4c2cccc4)O)([2H])[2H])[2H] H953227
COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@@]4(C=C)O)O H953230
[2H]C(=C([2H])[C@]1(C[N@@]2CC[C@H]1C[C@@H]2[C@H](c3ccnc4c3cc(cc4)OC)O)O)[2H] H953232
COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@@]4(C=C)O)O H953235
[2H]C(=C([2H])[C@]1(C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O)O)[2H] H953237
COc1ccc2c(c1)c(ccn2)[C@@H]([C@H]3C[C@@H]4CC[N@]3C[C@]4(C=C)O)O H953240
COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CC[N@]3C[C@]4(C=C)O)O H953245
CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C H953285
[2H]C1(C(CC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/C=O)/C)/C)(C)C)O)[2H] H953287
CCC(=O)NCC[C@@H]1CCc2c1c3c(c(c2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)OCC3 H953290
CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C H953295
CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C H953300
[2H]C([2H])([2H])/C(=C\C(=O)O)/C=C/C=C(\C)/C=C/C1=C(C(CCC1(C)C)O)C H953302
CC1=C(C(CC(C1)OC(=O)C)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C H953305
[2H]C1(C(CC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)(C)C)OC(=O)C)[2H] H953307
CC1=C(C(CCC1O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C H953310
[2H]C([2H])([2H])C1=C(C(CCC1O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C H953312
CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C#N)/C)/C H953315
CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C/C=C\C(=C\C=O)\C)/C H953320
c1cc2c(ccc(=O)[nH]2)c(c1)O H953325
c1cc2c(cc1OC(F)(F)F)sc(n2)NO H953330
c1cc2c(cc1OC(F)(F)F)s[13c]([15n]2)[15NH]O H953332
CCOc1cc(ccc1C(=O)OCC)CC(=O)NC(CC(C)C)c2ccccc2N3CCCC(C3)O H953335
C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(CCCC1(C)C)CO H953340
Cc1c(c(=O)n2c(n1)CCC(C2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F H953345
[2H]C([2H])(c1c(nc2n(c1=O)CC(CC2)O)C)C([2H])([2H])N3CCC(CC3)c4c5ccc(cc5on4)F H953347
[2H]C([2H])(c1c(nc2n(c1=O)CCCC2O)C)C([2H])([2H])N3CCC(CC3)c4c5ccc(cc5on4)F H953352
Cc1c(c(=O)n2c(n1)[C@@H](CCC2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F H953355
Cc1c(c(=O)n2c(n1)[C@H](CCC2)O)CCN3CCC(CC3)c4c5ccc(cc5on4)F H953360
CC([C@]12C[C@@H]3C[C@H](C1)C[C@@H](C3)[C@@H]2O)N H953370
[2H]C([2H])([2H])C([2H])([C@]12C[C@@H]3C[C@H](C1)C[C@@H](C3)C2O)N H953372
CC([C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O)N H953375
[2H]C([2H])([2H])C([2H])([C@@]12C[C@H]3C[C@@H](C1)C[C@](C3)(C2)O)N H953377
CC([C@]12C[C@@H]3C[C@H](C1)C([C@@H](C3)C2)O)N H953380
[2H]C([2H])([2H])C([2H])([C@]12C[C@@H]3C[C@H](C1)C([C@@H](C3)C2)O)N H953382
CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)N(C)Cc4csc(n4)C(C)(C)O H953390
c1cc(ccc1N2CC(OC2=O)CNC(=O)c3ccc(s3)Cl)N4C(COCC4=O)O H953400
c1c(cc(c(c1F)NC2=NCCN2)Br)O H953405
[2H]C1(C(N=C(N1)Nc2c(cc(cc2Br)O)F)([2H])[2H])[2H] H953407
CCCN(CCC)CCc1cccc2c1CC(=O)N2O H953410
CCCN1CCCCC1C(=O)Nc2c(ccc(c2C)O)C H953420
CCCN1CCCCC1C(=O)Nc2c(cc(cc2C)O)C H953425
CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)O H953440
[2H]C([2H])(C([2H])([2H])Oc1ccc(cc1)CC2C(=O)NC(=O)S2)N(C)c3ccc(cn3)O H953442
CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H953445
CN(CCOc1ccc(cc1)CC2C(=O)NC(=O)S2)c3ccc(cn3)OS(=O)(=O)O H953450
C1[C@@H]2C[C@@H]2N([C@H]1C#N)C(=O)[C@H]([C@@]34C[C@H]5C[C@@](C3)(C[C@](C5)(C4)O)O)N H953465
C1[C@@H]2[13CH2][C@@H]2N([C@H]1C#N)[13C](=O)[13CH]([C@@]34C[C@H]5C[C@@](C3)(C[C@](C5)(C4)O)O)N H953467
CCCC(C)C1(C(=O)NC(=O)N(C1=O)O)CC=C H953475
c1ccc(cc1)[C@H]2c3ccccc3[C@H](CN2C(=O)O[C@H]4C[N+]5(CCC4CC5)[O-])O H953485
[2H]c1c(c(c(c(c1[2H])[2H])C2c3ccccc3[C@H](CN2C(=O)O[C@H]4C[N+]5(CCC4CC5)[O-])O)[2H])[2H] H953487
CCC(C)(C)C(=O)O[C@H]1CC(=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O)C H953500
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O)OC(=O)C(C)(C)C(C)O H953510
C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)OC(=O)C(C)(C)C(C)O.[Na+] H953515
CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H](C2=C1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O)C H953520
c1ccc(cc1)[C@H]2c3ccccc3[C@H](CN2C(=O)O[C@H]4CN5CCC4CC5)O H953525
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5c([nH]nc5O)C4)C H953530
[2H]C1(C[C@H]2[C@@H]3CC[C@H]4Cc5c(c(n[nH]5)O)C[C@@]4([C@H]3CC[C@@]2([C@@]1(C([2H])([2H])[2H])O)C)C)[2H] H953532
CCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO)[C@@H](/C=C/CCCCCCCCCCCCC)O)O H953535
CC(C)(C)C(/C=C/c1ccc(c(c1)OC)O)O H953540
[2H][13C]([2H])([2H])Oc1cc(ccc1O)/C=C/C(C(C)(C)C)O H953543
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@H]4O)C H953545
[2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@H]4O)C)C)O H953547
C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@]2(C)O)O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C H953550
[2H]C([2H])([2H])[C@@]1([C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(Cc5cn[nH]c5C4)C)C)O)O H953552
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@@H]4O)C H953555
[2H]C([2H])([2H])[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(Cc5cn[nH]c5[C@@H]4O)C)C)O H953557
COC(=O)C(CC(=O)O)O H953560
COC(=O)[C@@H](CC(=O)O)O H953565
COC(=O)[C@H](CC(=O)O)O H953570
C1CC(=O)N(C1=O)O H953585
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)ON4C(=O)CCC4=O)c5ccccc5 H953600
CC([C@H]1CC[C@@H](CC1)C(=O)ON2C(=O)CCC2=O)C H953675
c1cc2ccc3ccc(c4c3c2c(c1)cc4)CCCC(=O)ON5C(=O)CCC5=O H953695
Cc1cc(no1)NS(=O)(=O)c2ccc(cc2)NO H953800
C1C(C(=O)N(C1=O)O)S(=O)(=O)[O-].[Na+] H954000
CCCCC(C(CC[C@H]1[C@@H](C[C@@H]([C@@H]1CCCCCCC(=O)O)O)O)O[Si](C)(C)C(C)(C)C)(F)F H954400
CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccc(cc3)O H954500
CN(C)CCOc1ccc(cc1)/C(=C(\CCCl)/c2ccccc2)/c3ccc(cc3)O H954505
[2H]C([2H])([2H])N(CCOc1ccc(cc1)/C(=C(\CCCl)/c2ccccc2)/c3ccc(cc3)O)C([2H])([2H])[2H] H954507
CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccc(cc2)O)/c3ccccc3 H954510
[2H]C([2H])([2H])N(CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccc(cc2)O)/c3ccccc3)C([2H])([2H])[2H] H954512
CC(/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3)O H954700
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 H954705
CC(/C(=C(/c1ccccc1)\c2cccc(c2)OCCN(C)C)/c3ccccc3)O H954710
CN(C)CCOc1ccc(cc1)/C(=C(/CCO)\c2ccccc2)/c3ccccc3 H954715
CN(C)CCOc1cccc(c1)/C(=C(\CCO)/c2ccccc2)/c3ccccc3 H954717
CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)O)/c3ccccc3 H954720
[2H]C([2H])([2H])C([2H])([2H])/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)O)/c3ccccc3 H954722
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 H954725
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccc(cc3)O H954730
[2H]C([2H])([2H])N(CCOc1ccc(cc1)/C(=C(/CC)\c2ccc(cc2)O)/c3ccccc3)C([2H])([2H])[2H] H954732
CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2cccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954735
CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCC[N+](C)(C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954740
CC/C(=C(/c1ccccc1)\c2ccc(cc2)OCCN(C)C)/c3ccc(cc3)O H954745
[2H]C([2H])([2H])C([2H])([2H])/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3 H954757
CC/C(=C(/c1ccc(cc1)OCCN(C)C)\c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954760
CC/C(=C(\c1ccc(cc1)OCCN(C)C)/c2ccc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)/c4ccccc4 H954765
CC(C)(CO)C#C/C=C/CN(C)Cc1cccc2c1cccc2 H956160
CC(C)(COC(=O)c1ccccc1)C#C/C=C/CN(C)Cc2cccc3c2cccc3 H956170
CC(C)(CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C(=O)O)O)O)O)C#C/C=C/CN(C)Cc2cccc3c2cccc3 H956175
C[C@@H]1C[C@@H](C2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC([C@@H](/C=C(/C1)\C)CC=C)O)[C@@H](C)[C@@H](/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O[Si](C)(C)C(C)(C)C)/C)O)O)C)OC)OC H956300
CC1(CC(CC(N1O)(C)C)O)C H956500
CC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)OC(=O)C)C H956725
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O H956745
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])CCC4=C(C(=O)CC[C@]34C)O)C)O H956747
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)O H956750
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])C[C@H](C4=CC(=O)CC[C@]34C)O)C)O H956752
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C[C@@H](C4=CC(=O)CC[C@]34C)O H956755
[2H][C@]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1([2H])[2H])C[C@@H](C4=CC(=O)CC[C@]34C)O)C)O H956757
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](C[C@@H]4O)O)C H956765
CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C([C@@H](C3)O)C)(C)C)O H957100
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(=O)O4)CC[C@]5([C@@]3(CCC(=O)C5)C)O H957120
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(O4)O)CC[C@]5([C@@]3(CCC(=O)C5)C)O H957125
c1cc2c(c(c1)O)c3c([nH]2)CCCC3 H957150
C1CC(OC1)O H957750
C1COC[C@H]1O H957755
[2H]C1(C[C@@H](C(O1)([2H])[2H])O)[2H] H957757
c1nc2c(=O)[nH]c(nc2n1[C@H]3CC([C@@H]4[C@]3(COC4)O)O)N H957780
CC(=O)c1ccc(cc1O)OC2CCCCO2 H957800
c1cc2c(c(c1)O)CCCC2=O H957850
c1cc2c(cc1)C(=O)[N@@](C2=O)C3C(=O)NC(=O)[C@H](C3)O H960750
c1cc2c(cc1O)[nH]c(n2)c3cscn3 H961200
c1cc2c(cc1O)[15nH]c(n2)[13c]3[13cH]scn3 H961202
COc1ccc2c(c1)[nH]c(n2)c3cscn3.Cl H961205
COc1ccc2c(c1)[15nH][13c](n2)[13c]3cscn3.Cl H961207
c1cc2c(cc1OS(=O)(=O)O)[nH]c(n2)c3cscn3 H961210
C1CC(CSC1)C(CC(=O)O)(CC(=O)O)O H961300
c1csc2c1c(ncn2)O H961750
CNCC[C@@H](c1cccs1)O H961815
CN(C)CC[C@@H](c1cccs1)O H961825
C1CCC(SCC1)O H962125
CCCc1c2c(c(=S)nc([nH]2)c3cc(ccc3OCC)C(=O)CN4CCN(CC4)CCO)n(n1)C H963100
CCCc1c2c(c(=S)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCO)n(n1)C H963150
c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C([C@@H](C(=O)O)N)O H963600
c1c(cc(c(c1I)O[13c]2[13cH][13c]([13c]([13c]([13cH]2)I)O)I)I)C([C@@H](C(=O)O)N)O H963602
C[C@@H]1CC2=C(CC[C@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964250
[2H][13C]([2H])([2H])[C@H]1CC2=C(CC[C@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964252
C[C@@H]1CC2=C(CC[C@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)OS(=O)(=O)O H964255
C[C@@H]1CC2=C(CC[C@@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964260
[2H][13C]([2H])([2H])[C@H]1CC2=C(CC[C@@H](C2)O)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O H964262
C[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O)O H964270
CC(C)(CO)NC[C@@H](COc1c(nsn1)N2CCOCC2)O H965200
CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)c2cccc(c2)N(O)S(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4 H965500
[2H]c1c(c(c(c(c1[2H])[2H])CC[C@@]2(CC(=C(C(=O)O2)[C@H](CC)c3cccc(c3)N(O)S(=O)(=O)c4ccc(cn4)C(F)(F)F)O)CCC)[2H])[2H] H965502
c1cc(c(c2c1nsn2)NC3=NCC(N3)O)Cl.Cl H966500
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)CO H969850
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)NS(=O)(=O)c1ccc(cc1)CO H969852
Cc1ccc(cc1O)C(=O)C(C)CN2CCCCC2.C(=C\C(=O)O)\C(=O)O H969880
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)c2ccc(c(c2)O)C)([2H])[2H])([2H])[2H])[2H].C(=C\C(=O)O)\C(=O)O H969882
C[C@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO H969950
C[C@@]1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)CO H969955
CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(c2)CO H969980
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(c2)CO H969982
Cc1cc(ccc1O)Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C H969985
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC(=O)NS(=O)(=O)c1cnccc1Nc2ccc(c(c2)C)O H969987
c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(c(c4)Cl)O H970020
[2H]C([2H])(C([2H])([2H])n1c(=O)n2ccccc2n1)C([2H])([2H])N3CCN(CC3)c4ccc(c(c4)Cl)O H970022
c1ccn2c(c1)nn(c2=O)CCCN3CCN(CC3)c4ccc(c(c4)Cl)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)[O-])O)O)O.[Na+] H970025
[2H]C([2H])(C([2H])([2H])n1c(=O)n2ccccc2n1)C([2H])([2H])N3CCN(CC3)c4ccc(c(c4)Cl)OCc5ccccc5 H970032
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)C(=O)O)C[C@H](C5=CC(=O)C=C[C@@]53C)O)F)O H970045
C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1C[C@@H]4[C@]2(OC(O4)(C)C)C(=O)CO)C[C@H](C5=CC(=O)C=C[C@@]53C)O)F)O H970050
c1cc(ccc1c2c(nc3c(n2)c(nc(n3)N)N)N)O H971050
[2H]c1c(c(c(c(c1c2c(nc3c(n2)c(nc(n3)N)N)N)[2H])[2H])O)[2H] H971052
c1cc(ccc1c2c(nc3c(n2)c(nc(n3)N)N)N)OS(=O)(=O)[O-].[Na+] H971070
c1(c(nc(nc1OS(=O)(=O)O)N)N)N H971210
c1(c(nc(nc1O)N)N)N.OS(=O)(=O)O H971250
c1([13c]([13c](nc(n1)N)N)[15NH2])O.OS(=O)(=O)O H971252
c1ccc(c(c1)C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO)Cl H971325
[2H]c1c(c(c(c(c1[2H])C2=NCc3nnc(n3-c4c2cc(cc4)Cl)CO)Cl)[2H])[2H] H971327
Cc1nnc2n1-c3ccc(cc3C(=NC2O)c4ccccc4Cl)Cl H971330
Cc1nnc2n1-c3ccc(cc3C(=NC2O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O)c5ccccc5Cl)Cl H971335
COC(=O)c1ccc(cc1O)C2(N=N2)C(F)(F)F H971525
c1cc(ncc1C(F)(F)F)O H971570
c1cnc(nc1C(F)(F)F)O H971600
COc1cc(cc(c1OC)OC)Cc2c(nc(nc2O)N)N H971980
[13CH3]Oc1cc(cc(c1O[13CH3])O[13CH3])Cc2c(nc(nc2O)N)N H971981
[2H]C([2H])([2H])Oc1cc(cc(c1OC([2H])([2H])[2H])OC([2H])([2H])[2H])Cc2c(nc(nc2O)N)N H971982
CC(C)(C)C(=O)Oc1ccc(cc1)C(=O)c2ccc(cc2)O H972025
C[C@@H]1CC[C@H]2C[C@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCOP(=O)([O-])OCC[N+](C)(C)C)C)/C)O)OC)C)C)/C)OC H972100
Cc1cc2c(nc1C)nc(n2C)O H972350
[2H]C([2H])([2H])n1cccc1CC(Cc2cccn2C([2H])([2H])[2H])O H972532
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(c1ccccc1)(c2ccccc2)c3ccccc3)COP(=O)(O)OCC[N+](C)(C)C H972550
CC(CN1c2ccccc2CCc3c1ccc(c3)O)CN(C)C H973500
[2H]C([2H])([2H])N(C)CC(C)CN1c2ccccc2CCc3c1ccc(c3)O H973502
Cc1cccc(c1C)C(C)(c2cn(cn2)C(c3ccccc3)(c4ccccc4)c5ccccc5)O H974400
CN1CC(=O)N=C1N.c1cc2c(c(c1)O)c(c[nH]2)CCN.OS(=O)(=O)O H974880
CN1CC(=O)N=C1N.c1cc2c(cc1O)c(c[nH]2)CCN.O.OS(=O)(=O)O H974990
CN1CC(=O)N=C1N.c1cc2c(cc1O)[nH]cc2CCN.OS(=O)(=O)O H975000
c1cc2c(cc1O)c(c[nH]2)CC(C(=O)O)N H975700
c1cc2c(cc1O)c(c[nH]2)C[C@@H](C(=O)O)N H975710
[2H]c1c(c(c(c2c1[nH]c(c2C[C@@H](C(=O)O)N)[2H])[2H])O)[2H] H975712
c1cc2c(cc1O)c(c[nH]2)CCO H976000
[2H]C([2H])(c1c[nH]c2c1cc(cc2)O)C([2H])([2H])O H976002
c1cc2c(cc1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)c(c[nH]2)CCO H976010
[2H]C([2H])(c1c[nH]c2c1cc(cc2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C([2H])([2H])O H976012
c1cc(c(cc1CCO)O)O H977000
[2H]C([2H])(c1ccc(c(c1)O)O)C([2H])([2H])O H977002
CC(=O)OCCc1ccc(c(c1)O)O H977005
c1cc(c(cc1CCO)OS(=O)(=O)[O-])O.[Na+] H977010
c1cc(c(cc1CCO)O)OS(=O)(=O)O H977015
CC(=O)OCCc1ccc(c(c1)OS(=O)(=O)[O-])O.O.[Na+] H977020
[2H]C([2H])([2H])C([2H])(C([2H])([2H])CCC(=O)CCCC=C)O H990922
C(=O)(N)NO H991000
[13C](=O)([15NH2])[15NH]O H991002
C(=O)(N)[15NH]O H991010
CCOC(=O)NO H991050
c1ccc(cc1)c2c(c(on2)CO)c3ccc(cc3)S(=O)(=O)N H991500
c1ccc(cc1)c2c([13c](o[15n]2)[13CH2]O)c3ccc(cc3)S(=O)(=O)N H991502
CCCC(C(CC)O)C(=O)O H993000
CCCC(CC(C)O)C(=O)[O-].[Na+] H993005
CCCC(CCCO)C(=O)[O-].[Na+] H993010
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CCCO)C(=O)[O-].[Na+] H993012
CC(C)[C@@H](C(=O)O)N(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C(=O)CCC(C)O H995000
CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)CCC(C)O H995100
COc1cc2c(cc1OCC3CCN(CC3)CO)ncnc2Nc4ccc(cc4F)Br H995200
[2H]C1(CC(CC(N1CO)([2H])[2H])COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br)[2H] H995202
CCCc1nc(c2n1nc([nH]c2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CCO)C H995300
[2H]C1(C(N(C(C(N1CCO)([2H])[2H])([2H])[2H])S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(nc(n4n3)CCC)C)OCC)([2H])[2H])[2H] H995302
c1c2c(cc3c1ncc(n3)O)C4CC2CNC4 H995600
c1c2c(cc3c1ncc(n3)O)C4CC2CN(C4)C(=O)C(F)(F)F H995610
CC[C@@]1(C[N@]2CCc3c4ccccc4[nH]c3[C@](C[C@@H](C2)[C@H]1O)(c5cc6c(cc5OC)N([C@@H]7C68CCN9[C@H]8[C@@](C=CC9)([C@@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC)O H995680
[2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C)(C([2H])([2H])[2H])O H995822
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCN)C H995825
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)O)C H995830
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OCCCN)C H995835
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C H995840
[2H]C([2H])([2H])C([C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)(C([2H])([2H])[2H])O H995842
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C H995860
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)(C([2H])([2H])[2H])O H995862
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)O)C H995870
[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OS(=O)(=O)O)C)(C([2H])([2H])[2H])O H995872
CC(=O)CC(c1cccc(c1)O)c2c(c3ccccc3oc2=O)O H996095
CC(=O)CC(c1ccc(cc1)O)c2c(c3ccccc3oc2=O)O H996100
[2H]c1c(c(c2c(c1[2H])c(c(c(=O)o2)C(CC(=O)C)c3ccc(cc3)O)O)[2H])[2H] H996102
CC(=O)CC(c1ccccc1)c2c(c3cc(ccc3oc2=O)O)O H996120
[2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3cc(ccc3oc2=O)O)O)[2H])[2H] H996122
CC(=O)CC(c1ccccc1)c2c(c3ccc(cc3oc2=O)O)O H996130
[2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3ccc(cc3oc2=O)O)O)[2H])[2H] H996132
CC(=O)CC(c1ccccc1)c2c(c3ccc(cc3oc2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O H996135
CC(=O)CC(c1ccccc1)c2c(c3cccc(c3oc2=O)O)O H996140
[2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3cccc(c3oc2=O)O)O)[2H])[2H] H996142
CC(=O)CC(c1ccccc1)c2c(c3cccc(c3oc2=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O H996145
CC(=O)C(C(c1ccccc1)c2c(c3ccccc3oc2=O)O)O H996160
[2H]c1c(c(c(c(c1[2H])[2H])C(c2c(c3ccccc3oc2=O)O)C(C(=O)C)O)[2H])[2H] H996162
CC(=O)C(C(c1ccccc1)c2c(c3ccccc3oc2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O H996165
Cc1ccc(c(c1NC2=NCCCS2)C)O H996295
Cc1cc(cc(c1NC2=NCCCS2)C)O H996300
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO H996495
[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] H996497
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO H996500
[2H]C1(C(N(C(C(N1CCOCCO)([2H])[2H])([2H])[2H])C(c2ccccc2)c3ccc(cc3)Cl)([2H])[2H])[2H] H996502
c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCOCC(=O)O H997000
CC(=O)C[C@H]1CCCN1C H997500
[2H]C([2H])([2H])C(=O)C[C@H]1CCCN1C H997502
CO.c1c\2c([nH]c1Br)C(=O)NCC/C2=C/3\C(=O)N=C(N3)N H998000
[2H]C1(/C(=C/2\C(=O)N=C(N2)N)/c3cc([nH]c3C(=O)NC1([2H])[2H])Br)[2H] H998002
c1ccc2c(c1)c\3c([nH]2)C(=O)NCC/C3=C/4\C(=O)NC(=N4)N H998025
c1c([nH]c(n1)N)C2CCNC(=O)c3c2c(c([nH]3)Br)Br H998030
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C H998100
[2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@@H]([C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O H998102
C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@@H](C4)O)C)O)C H998105
[2H][C@@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@@H]([C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O H998107
CC(=O)O[C@]12[C@@H]3[C@@H](C[C@@]([C@@H]3OC(=O)c4ccccc4)([C@@H]([C@@H]1O)OC)O)[C@]56[C@H](CC[C@@]7([C@H]5[C@H]([C@H]2[C@H]6N(C7)C)OC)COC)OC H998150
c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@@H]4[C@@H](C([C@@H](C(O4)CO)O)O)O)O)O H998200
CC(C)(C)OCl H998350
C=C1C[C@@H]1C[C@@H](C(=O)O)N H998400
COC[C@H]1Cc2cc(c3c(c2[C@H]([C@@H]1COC)c4ccc(c(c4)OC)OC)OCO3)OC H998450
[2H]C([2H])([2H])OC[C@H]1Cc2cc(c3c(c2[C@H]([C@@H]1COC([2H])([2H])[2H])c4ccc(c(c4)OC)OC)OCO3)OC H998452
c1[nH]c2c(n1)[nH]cnc2=O H998500
c1[nH]c2c(n1)[15nH][13cH][15n]c2=O H998502
c1[nH][13c]2c(c(=O)n1)[15nH][13cH]n2 H998503
c1[nH][13c]2[13c](c(=O)n1)[15n]c[nH]2 H998504
CCCCCCC(C(=O)O)Sc1nc(cc(n1)Cl)Nc2ccc(cc2)c3ccccc3 H999750
CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].O.[Na+] I120001
[2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)[O-].[Na+] I120002
[2H]C([2H])([2H])N(CCCCC)CCC(O)(P(=O)(O)O)P(=O)(O)O I120003
CC(C)C(=O)Oc1ccc(cc1OC(=O)C(C)C)CCNC.Cl I123500
c1c(onc1O)C(C(=O)O)N.O I124000
CC(C)c1c(c2ccccn2n1)C(=O)C(C)C I125000
[2H]c1c(c(n2c(c1[2H])c(c(n2)C(C)C)C(=O)C(C)C)[2H])[2H] I125002
CC(C)Cc1ccc(cc1)CC(=O)O I130000
CC(C)Cc1ccc(cc1)C(C)C(=O)O I140000
[2H]C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O I140002
CC(C)C[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(C)C(=O)O I140003
[2H]C([2H])([2H])[C@@H](c1ccc(cc1)CC(C)C)C(=O)O I140005
[2H]C([2H])([2H])[C@@H](c1ccc(cc1)CC(C)C)C(=O)O I140007
C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O I140010
[2H]C([2H])([2H])[C@H](c1ccc(cc1)CC(C)C)C(=O)O I140012
[2H]C([2H])([2H])C(c1ccc(cc1)CC(C)C(=O)O)C(=O)O I140017
C[C@H](c1ccc(cc1)CC(C)C)C(=O)O.C(CCN)C[C@@H](C(=O)O)N I140020
C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O.C(CCN)C[C@@H](C(=O)O)N I140025
CC(C)Cc1ccc(cc1)C(C)C(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O I140030
[2H]C([2H])([2H])C(c1ccc(cc1)CC(C)C)C(=O)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)O)O)O)O I140032
CC(C)Cc1ccc(cc1)C(C)C(=O)N I140035
CC(C)Cc1ccc(cc1)C2(CCC(c3c2cc(cc3)CC(C)C)C(=O)O)C(=O)O I140040
CC(C)Cc1ccc(cc1)C(C)CO I140045
[2H]C([2H])([2H])C(CO)c1ccc(cc1)CC(C)C I140047
CCCCCCCN(CC)CCCC(c1ccc(cc1)NS(=O)(=O)C)O I155400
CCN1CCC[C@H]1CNC(=O)c2c(ccc(c2O)I)OC I163500
CC(=CCc1c(cc(c2c1oc(c(c2=O)O)c3ccc(cc3)OC)O)O)C I163700
c1ccc(cc1)CNC(=O)N2CCC(=O)N3[C@@H]2CN(C(=O)[C@@H]3Cc4ccc(cc4)O)Cc5cccc6c5cccc6 I163800
Cc1ccc(c2c1CCC2)OC[C@@H]([C@H](C)NC(C)C)O.Cl I163850
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N[C@H](C)[C@H](COc1ccc(c2c1CCC2)C)O.Cl I163852
Cc1ccc(c2c1CCC2)OC[C@@H]([C@H](C)NC(C)C)O.Cl I163855
Cc1cc(c(n1c2cccnc2)C)/C=C\3/C(=O)N(C(=O)S3)c4ccccc4 I163900
[2H]c1c(c(c(c(c1[2H])[2H])N2C(=O)/C(=C/c3cc(n(c3C)c4cccnc4)C)/SC2=O)[2H])[2H] I163902
[2H]C([2H])([2H])Oc1cc(c2c(c1OC([2H])([2H])[2H])OC(C=C2)C3CC3)Cc4cnc(nc4N)N I164002
[C@H]([C@@H]([C@H](C(=O)O)O)O)([C@H](C(=O)O)O)O I164925
[C@H]1([C@H](C(=O)O[C@@H]1C(C(=O)O)O)O)O I165000
CC1[C@H]([C@@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccccc5C4=O)O)(C(=O)C)O)N)O.Cl I167000
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO I170050
[2H][13C]([2H])([2H])OC1=C(C(=O)C(=C(C1=O)C)CCCCCCCCCCO)OC I170052
C([C@@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O I175000
CC(=O)OC[C@H]([C@@H]([C@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C I175030
CC(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C I192500
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O)O)OS(=O)(=O)[O-])O.[Na+].[Na+] I192600
C([C@@H]1[C@H]([C@@H]([C@H](O1)C=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+] I192700
c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@H]([C@H](O2)CO)O)I I205750
c1c(c(=O)[nH]c(=O)n1[C@@H]2CC([C@@H](O2)CO)O)I I205755
c1c(c(=O)[nH]c(=O)n1[C@H]2CC([C@H](O2)CO)O)I I205760
C([C@@H]1[C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)O)O I225000
[3H]C([C@@H]1[C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)O)O)OS(=O)(=O)O)O)O I225003
[C@@H]1([C@@H]([C@@H](OC([C@@H]1O)O)C(=O)[O-])O)O.[Na+] I252000
[C@@H]1([C@@H]([13C@H]([13CH](O[C@H]1[13C](=O)[O-])O)O)O)O.[Na+] I252002
CC(C(c1ccc(cc1)O)O)N2CCC(CC2)Cc3ccccc3 I258000
C1CN(P(=O)(OC1)NCCCl)CCCl I265000
[2H]C1(COP(=O)(N(C1([2H])[2H])CCCl)NCCCl)[2H] I265002
CC(C)[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]3CCC[C@@H](N3C1=O)C(=O)O)SC(=O)C I266500
CC(=O)c1ccc(c(c1)OC)OCCCN2CCC(CC2)c3c4ccc(cc4on3)F I267200
[2H]C([2H])([2H])Oc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C(=O)C I267202
COc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C(=O)O I267210
[2H]C([2H])([2H])Oc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)C(=O)O I267212
CC(=O)c1ccc(c(c1)OC)OCCCN2CCC(CC2)c3c4ccc(cc4on3)N5CCC(CC5)c6c7ccc(cc7on6)F I267220
CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)O)/C2)O)O I267300
[2H]C([2H])(C/C=C/1\C[C@H]2C[C@H]([C@@H]([C@H]2C1)/C=C/[C@H](C(C)CC#CC)O)O)C([2H])([2H])C(=O)O I267302
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4cccc(c4)CN5CCN(CC5)C I267990
[2H]C([2H])([2H])N1CCN(CC1)Cc2cccc(c2)C(=O)Nc3ccc(c(c3)Nc4nccc(n4)c5cccnc5)C I267992
Cc1cc(ccc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C I267995
[2H]C([2H])([2H])N1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(c(c3)C)Nc4nccc(n4)c5cccnc5 I267997
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CC[N+](CC5)(C)[O-] I268000
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)C[N+]5(CCN(CC5)C)[O-] I268005
Cc1ccc(cc1Nc2nccc(n2)c3ccc[n+](c3)[O-])NC(=O)c4ccc(cc4)CN5CCN(CC5)C I268010
Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)NC(=O)c4ccc(cc4)C[N+]5(CC[N+](CC5)(C)[O-])[O-] I268020
C=CCOC(Cn1ccnc1)c2ccc(cc2Cl)Cl.OS(=O)(=O)O I268500
[2H]C(=C([2H])C([2H])([2H])OC(Cn1ccnc1)c2ccc(cc2Cl)Cl)[2H].OS(=O)(=O)O I268502
c1cc(ncc1CN\2CCN/C2=N\[N+](=O)[O-])Cl I274990
Cc1nccn1CCC(c2ccccc2)(c3ccccc3)C(=O)N I275010
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)O.Cl I275040
[2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCC)C(=O)O.Cl I275042
C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)O)N[C@@H](CCc2ccccc2)C(=O)O I275050
[2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)O)C(=O)O I275052
C[C@@H](C(=O)N1[C@@H](CN(C1=O)C)C(=O)OC(C)(C)C)N[C@@H](CCc2ccccc2)C(=O)OCc3ccccc3 I275060
[2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCc3ccccc3)C(=O)OC(C)(C)C I275062
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](CN(C2=O)C)C(=O)OC(C)(C)C I275070
[2H]C([2H])([2H])N1C[C@H](N(C1=O)C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCC)C(=O)OC(C)(C)C I275072
C1=NC=NC1C(C(COP(=O)(O)O)O)O I350000
c1cnc[nH]1 I350200
c1c[15n]c[15nH]1 I350202
[2H]c1c(n(c(n1)[2H])[2H])[2H] I350203
CS(=O)(=O)SCc1c[nH]cn1.Cl I350251
c1cc(cnc1)c2cnc[nH]2 I351751
c1c([nH]cn1)C[C@H](C(=O)O)O.O I354990
c1c([nH]cn1)C[C@@H](C(=O)O)O.O I355000
c1c(nc[nH]1)CCC(=O)NN I356200
[2H]C1(C(NC(=S)N1)([2H])[2H])[2H] I367002
c1c[15n](c[15n]1)[13CH2][13C](=O)O I385597
c1cn(cn1)CC(=O)O I385600
[2H]c1c(n(cn1)CC(=O)O)[2H].Cl I385602
c1ccn2ccnc2c1 I387450
c1cn2ccnc2cc1O I387500
COc1ccn2ccnc2c1 I387505
CC1(O[C@@H]2[C@@H](C3CO[C@@H](C2O1)O3)OCC(CO[C@@H]4[C@@H]5CO[C@H](O5)C6C4OC(O6)(C)C)NC(CO[C@H]7[C@@H]8C([C@@H]9OCC7O9)OC(O8)(C)C)CO[C@@H]1C2CO[C@H](O2)C2C1OC(O2)(C)C)C I400000
c1ccc(c(c1)CNCc2ccccc2O)O I400300
C(CNCCCNC(=O)C(C(C(C(CO)O)O)O)O)CNC(=O)C(C(C(C(CO)O)O)O)O I400500
C[N+](C)(C)CCCCCCNCCCCCC[N+](C)(C)C.Br I400600
[2H]C([2H])([2H])[N+](CCCCCCNCCCCCC[N+](C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H].Br I400602
c1ccc2c(c1)CCc3ccccc3N2C(=O)Cl I408100
[2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C1(c2ccccc2N(c3ccccc3C1([2H])[2H])C(=O)Cl)[2H] I408102
CC1CC(NC(=N)C1)C.CC(=O)O I409000
CC(=N)NCCCC[C@@H](C(=O)O)N.Cl I413000
CC(N)NCCCC[C@@H](C(=O)Nc1[nH]nnn1)N I413030
CC(=N)NCCC[C@@H](C(=O)O)N.Cl I415000
CC1(CCCCC1)COc2ccc(cc2)CC3C(=O)NC(=O)S3 I423750
CC1CCNC(=N)C1.CC(=O)O I425500
C1=CC(=O)C(=CC1=N)C(=O)O I425800
C1CCNC(=N)C1 I435000
c1ccc2c(c1)C=Cc3ccccc3N2 I445000
[2H]C1=C(c2ccccc2Nc3c1cccc3)[2H] I445002
c1ccc2c(c1)C=Cc3ccccc3N2C(=O)Cl I445010
[2H][2H].[2H][2H].[2H]C.[2H]C.[2H]C1=C(c2ccccc2N(c3c1cccc3)C(=O)Cl)[2H] I445012
c1ccc2c(c1)C3C(O3)c4ccccc4N2C(=O)Cl I445015
C1CC(=N)SC1 I450000
C[C@H]([C@@H]1C2CC(=C(N2C1=O)C(=O)O)SCCNC=N)O.O I465200
[2H]C([2H])(C([2H])([2H])SC1=C(N2C(C1)[C@H](C2=O)[C@@H](C)O)C(=O)O)NC=N.O I465202
CN(C)CCCN1c2ccccc2CCc3c1cccc3.Cl I465980
[2H]c1cc(c2c(c1)CCc3cc(cc(c3N2CCCN(C)C)[2H])[2H])[2H].Cl I465982
[2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3c1cccc3)C([2H])([2H])[2H] I465983
C[N+](C)(CCCN1c2ccccc2CCc3c1cccc3)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O I465990
C[N+](C)(CCCN1c2ccccc2CCc3c1cccc3)[O-].O I466000
[2H]C([2H])([2H])[N+](CCCN1c2ccccc2CCc3c1cccc3)(C([2H])([2H])[2H])[O-].O I466002
CC(C)Cn1cnc2c1c3ccccc3nc2N I475000
c1c([nH]cn1)CC2CCNCC2 I490000
CC(=CCOc1c2c(ccc(=O)o2)cc3c1occ3)C I495000
CCc1cc2c(cc1CC)CC(C2)NC[C@@H](c3ccc(c4c3ccc(=O)[nH]4)O)O I499750
c1cc2c(c(c1)NC3=NCCN3)CCC2 I499800
c1ccc2c(c1)CCC2=O I499900
CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl I500100
[2H]C([2H])([2H])C1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl I500102
CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)NS(=O)(=O)O)Cl I500110
CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)Cl I500115
c1cc2c(cc1CN)cn[nH]2.Cl I505500
c1cc2c(cc1CO)cn[nH]2 I505600
c1ccc2c(c1)OCC(O2)C3=NCCN3.Cl I506800
[2H]C1(C(N=C(N1)C2COc3ccccc3O2)([2H])[2H])[2H].Cl I506802
c1c2c(cc3c1OCO3)C(=O)/C(=N/O)/C2 I510930
c1ccc-2c(c1)-c3ccc4ccc5cccc6c5c4c3c2c6 I510960
[2H]c1c(c(c-2c(c1[2H])-c3c(c(c4c(c(c5c(c(c(c6c5c4c3c2c6[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H])[2H] I510962
c1ccc2c(c1)CC(C2)NCC(=O)N.Cl I511000
c1ccc2c(c1)c(c([nH]2)c3c(c4ccccc4[nH]3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] I521250
CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)Cc5cccnc5.OOS(=O)O I525000
[2H]c1c(c(c(nc1[2H])[2H])C([2H])([2H])N2CCN([C@@H](C2)C(=O)NC(C)(C)C)C[C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccccc5C[C@H]4O)O)[2H] I525002
CC(=O)N(C)c1cccc(c1)c2ccnc3n2ncc3C(=O)c4cccs4 I527200
[2H]C([2H])([2H])N(c1cccc(c1)c2ccnc3n2ncc3C(=O)c4cccs4)C(=O)C I527202
c1ccc2c(c1)/C(=C/3\C(=N\O)\c4ccccc4N3)/C(=O)N2 I527500
CN1C[C@H]2C[C@H](C[C@@H](C1)N2C)NC(=O)c3c4ccccc4[nH]n3 I532500
[InH3] I533700
Cc1ccc(c(c1)OCCOc2cc(ccc2N(CC(=O)O)CC(=O)O)c3cc4ccc(cc4[nH]3)C(=O)O)N(CC(=O)O)CC(=O)O I545000
c1ccc2c(c1)cc[nH]2 I577320
c1ccc2c(c1)c(c[nH]2)CC(=O)O I577340
c1ccc2c(c1)c(c[nH]2)/C=N/O I577400
c1ccc2c(c1)cc([nH]2)[13CH2][13C]#[15N] I577502
B(c1cccc2c1cc[nH]2)(O)O I577750
c1ccc2c(c1)c(c[nH]2)CCCC(=O)O I577800
[2H]C([2H])(CC(=O)O)C([2H])([2H])c1c[nH]c2c1cccc2 I577802
c1c(c(nc(=O)n1[C@H]2[C@H](C([C@H](O2)CO)O)O)N)I I697500
c1nc(c2c(n1)n(cn2)[C@H]3[C@H](C([C@H](O3)CI)O)O)N I705000
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(c(=O)cc(o4)c5ccc(c(c5)O)OC)c(c3I)O)O)O)O)O)O)O I705850
CCNC(=O)[C@@H]1[C@@H](C([C@@H](O1)n2cnc3c2nc(nc3N)I)O)O I706000
CCNC(=O)[C@@H]1[C@H]2C([C@@H](O1)n3cnc4c3nc(nc4N)I)OC(O2)(C)C I706300
[2H]C([2H])([2H])C([2H])([2H])NC(=O)[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc4c3nc(nc4N)I)OC(O2)(C)C I706302
CCCCCCI I706530
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])I I706532
c1cc(c(cc1C=O)I)O I707250
c1cc2c(cc1I)c(c[nH]2)O[C@H]3C([C@H]([C@H](C(O3)CO)O)O)O I707425
c1c(nc[nH]1)I I708100
[2H]C([2H])([2H])Oc1ccc(cc1O)C(=O)C I780002
C1C(=O)C(=O)NC(=O)N1 I780030
CN1CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(c(c4)O)OC)O)O)OC I780050
COc1c2ccc(=O)oc2c(c3c1cco3)OC I821950
COc1cc(cc(c1)C(=O)O)C(=O)O I821955
CC[C@H]([C@@H](Cc1cncn1C)CO)C(=O)[O-].[Na+] I821960
[2H]C([2H])([2H])n1cncc1C[C@@H](CO)[C@@H](CC)C(=O)[O-].[Na+] I821962
CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C I874300
[2H]C1(C(SC(=C(C(=O)OC(C)C)C(=O)OC(C)C)S1)([2H])[2H])[2H] I874302
CC(C)c1ccc(cc1)NC(=O)N(C)C I874500
[2H]C([2H])([2H])N(C)C(=O)Nc1ccc(cc1)C(C)C I874502
C/C=C/1\C[N@@]2CC[C@H]1C[C@H]2[C@@H](c3ccnc4c3cc(cc4)OC)O I874700
c1cc2cnccc2c(c1)S(=O)(=O)O I875000
CC(C)(C)OC(=O)N(C)[C@@H](Cc1ccc(cc1)OS(=O)(=O)c2cccc3c2ccnc3)C(=O)N4CCN(CC4)c5ccccc5 I876000
c1cc2cnccc2c(c1)S(=O)(=O)Cl.Cl I878000
c1cc2cnccc2c(c1)S(=O)(=O)N3CCCNCC3 I882200
CN[C@@H](Cc1ccc(cc1)OS(=O)(=O)c2cccc3c2ccnc3)C(=O)N4CCN(CC4)c5ccccc5 I887500
c1cc2cnccc2c(c1)S(=O)(=O)N3CCNCC3.Cl I891000
c1ccc2c(c1)c(c[nH]2)CO I578000
c1ccc2c(c1)c(c[nH]2)[13CH]=O I614992
c1cc(cc2c1cc[nH]2)C=O I615000
c1cc2c(cc[nH]2)cc1C=O I615010
c1cc2cc[nH]c2c(c1)C=O I615030
c1cc2c(cc[nH]2)cc1C(=O)N I615500
c1ccc2c(c1)cc([nH]2)C(=O)O I627000
c1ccc2c(c1)cc([nH]2)[13C](=O)O I627002
c1ccc2c(c1)c(c[nH]2)CC(=O)O[C@@H]3[C@@H](C([C@H](C(O3)CO)O)O)O I627020
CNS(=O)(=O)CCc1ccc2c(c1)c(cn2N=O)C3CCN(CC3)C I627150
c1ccc2c(c1)CCN2 I627200
c1ccc2c(c1)CC(=O)N2 I627300
c1ccc2c(c1)c(c[nH]2)CCBr I628000
c1ccc2c(c1)c(c[nH]2)C(C(=O)O)N I630000
COC(=O)C(c1c[nH]c2c1cccc2)N I630010
c1cc2c(cc[nH]2)c(c1)OCC(CO)O I633500
c1ccc2c(c1)c(c[nH]2)SCC#N I636000
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O I641000
[2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)O)C)[2H])[2H])Cl)[2H] I641002
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O I641010
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)OCc5ccccc5)O)O)O I641015
Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)OC I641025
[2H]c1c(c(c(c(c1C(=O)n2c(c(c3c2ccc(c3)OC)CC(=O)OC)C)[2H])[2H])Cl)[2H] I641027
CC(c1ccc(cc1)N2Cc3ccccc3C2=O)C(=O)O I645000
[2H]C([2H])([2H])C(c1ccc(cc1)N2Cc3ccccc3C2=O)C(=O)O I645002
c1ccc(cc1)C(=O)NC2CCN(CC2)CCc3c[nH]c4c3cccc4.Cl I646500
[2H]c1c(c(c(c(c1[2H])[2H])C(=O)NC2CCN(CC2)CCc3c[nH]c4c3cccc4)[2H])[2H].Cl I646502
c1ccc2c(c1)c(c[nH]2)OP(=O)([O-])[O-].[Na+].[Na+] I655000
Cc1ccc(cc1)[NH3+].c1ccc2c(c1)c(c[nH]2)OP(=O)([O-])[O-] I655050
c1ccc2c(c1)c(c[nH]2)OS(=O)(=O)[O-].[K+] I655100
[2H]c1c(c(c2c(c1[2H])c(c[nH]2)OS(=O)(=O)[O-])[2H])[2H].[K+] I655102
C[C@H](CO)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C I657000
Cc1ccc(cc1)S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CCC[C@@H]3O)C I657005
c1cc(c(cc1C(=O)N)[N+](=O)[O-])I I657500
c1nc2c(c(n1)O)ncn2[C@H]3[C@H](C([C@H](O3)CO)O)O I661000
c1nc([13c]2[13c](n1)n(c[15n]2)[C@H]3[C@H](C([C@H](O3)CO)O)O)O I661002
c1[nH]c2c(c(=O)n1)n[14cH]n2[C@H]3[C@H](C([C@H](O3)COP(=O)([O-])[O-])O)O.[NH4+].[NH4+] I664800
[Li+].CCCCOc1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)OP(=O)([O-])O[C@@H]6[C@@H]([C@@H]([C@H]([C@@H]([C@H]6O)O)O)O)O I665700
[C@@H]1([C@H](C(C([C@@H](C1O)O)O)O)O)O I665995
[2H][C@]1([C@@]([C@@]([C@]([C@@]([C@]1(O)[2H])(O)[2H])(O)[2H])(O)[2H])(O)[2H])O I665997
CC(=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C I666000
[C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I666005
[C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)O I666010
[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O I666015
[C@H]12OP(=O)(OP(=O)(O[C@H]1[C@H]3OP(=O)(OP(=O)(O[C@@H]3[C@@H]4[C@@H]2OP(=O)(OP(=O)(O4)[O-])[O-])[O-])[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] I666020
[2H][C@@]12OP(=O)(OP(=O)(O[C@@]1([C@]3(OP(=O)(OP(=O)(O[C@@]3([C@@]4([C@@]2(OP(=O)(OP(=O)(O4)[O-])[O-])[2H])[2H])[2H])[O-])[O-])[2H])[2H])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] I666022
c1ccc(cc1)COP(=O)(O[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2OP(=O)(OCc3ccccc3)OCc4ccccc4)OP(=O)(OCc5ccccc5)OCc6ccccc6)OP(=O)(OCc7ccccc7)OCc8ccccc8)OP(=O)(OCc9ccccc9)OCc1ccccc1)OP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 I666025
[2H][C@]1([C@@]([C@@]([C@]([C@@]([C@]1(OP(=O)(OCc2ccccc2)OCc3ccccc3)[2H])(OP(=O)(OCc4ccccc4)OCc5ccccc5)[2H])(OP(=O)(OCc6ccccc6)OCc7ccccc7)[2H])(OP(=O)(OCc8ccccc8)OCc9ccccc9)[2H])(OP(=O)(OCc1ccccc1)OCc1ccccc1)[2H])OP(=O)(OCc1ccccc1)OCc1ccccc1 I666027
[C@@H]1([C@H](C(C([C@H](C1O)O)O)O)O)O I666030
[C@H]1([C@H](C(C([C@H](C1O)O)O)O)O)O I666040
[C@@H]1([C@H](C(C([C@@H](C1O)O)O)O)O)O I666050
[C@@H]1(C(C([C@H](C(C1O)O)O)O)O)O I666055
CC1=CC(=O)/C(=C\c2ccc(c(c2)O)O)/O1 I666500
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 I666650
[2H]C([2H])([2H])N1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5 I666652
CN(CC(CO)O)C(=O)c1c(c(c(c(c1I)NC(=O)C(CO)CO)I)C(=O)N(C)CC(CO)O)I I666700
c1c(c(c(c(c1I)NC(=O)CCCCC(=O)Nc2c(cc(c(c2I)C(=O)O)I)I)I)C(=O)O)I I666800
CC(=O)N(CC(CN(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)c2c(c(c(c(c2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I I667200
c1cc2c(cc(=O)oc2cc1NC(=O)CI)C(=O)O I675250
CC1(CC(C(N1O)(C)C)NC(=O)CI)C I684000
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5cc(ccc5C(=O)O4)NC(=O)CI)N(C)C I685000
CN(CC(=O)NCCCOCCOCCOCCCNC(=O)CI)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2 I685125
[2H]C([2H])(CNC(=O)CN(C)C(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C([2H])([2H])OCCOCCOC([2H])([2H])C([2H])([2H])CNC(=O)CI I685130
c1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CI I685500
c1cc2c(cccc2S(=O)(=O)O)c(c1)NCCNC(=O)CI I685600
c1cc2cccc(c2c(c1)NCCNC(=O)CI)S(=O)(=O)O I685605
C(CN(CC(=O)O)C(=O)CI)N(CC(=O)O)CC(=O)O I685640
c1ccc2cc(ccc2c1)CC(C(=O)O)NC(=O)CI I685875
c1nc2c(nc(nc2n1[C@H]3C([C@H]([C@H](O3)CO)O)O)I)N I686000
CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cnc4c3nc(nc4N)I)CO)C I686675
c1cc(c(cc1Cn2cncn2)I)N I686700
CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)O)n3cnc4c3nc(nc4N)I)C I686750
c1cc(ccc1N)I I686800
COc1cccc(c1)I I686850
c1ccnc(c1)SSCCNC(=O)c2cc(c(c(c2O)I)N=[N+]=[N-])I I688000
[13cH]1[13cH][13cH][13c]([13cH][13cH]1)I I689502
c1ccc(c(c1)C(=O)O)I I689555
C1CCOC(C1)OCCCCI I693900
C/C(=C\CO)/I I694000
c1cc2c(cc1OCCCCI)NC(=O)CC2 I694200
[2H]C([2H])(C([2H])([2H])C([2H])([2H])I)C([2H])([2H])Oc1ccc2c(c1)NC(=O)CC2 I694202
CCCCCCCCCCI I695000
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])I I695002
CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C=C/C=C/C=C/4\C(c5c6ccccc6ccc5N4CCCCS(=O)(=O)[O-])(C)C)CCCCS(=O)(=O)[O-])C.[Na+] I697000
[2H][13C]([2H])([2H])I I708202
c1ccc(cc1)COCC2COCC(O2)CI I708300
COc1ccc(cc1OC)[C@H](CI)O I708380
c1cc2c(cc1I)OCO2 I708400
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC=C2I)OC I708420
[2H]C1C[C@]2([C@@H](CC=C2I)[C@H]3[C@H]1c4ccc(cc4C(C3([2H])[2H])([2H])[2H])OC)C I708422
CN(C)C(=O)Cc1cc(ccc1I)OC I708500
Cc1cc(ccc1I)C(=O)OC I708600
CC(C)(C)C(=O)OCI I708750
CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCI I709000
[2H]C([2H])([2H])CC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCI I709005
Cc1ccc(cc1I)C(=O)Nc2cc(cc(c2)n3cc(nc3)C)C(F)(F)F I709250
[2H]C([2H])([2H])c1cn(cn1)c2cc(cc(c2)NC(=O)c3ccc(c(c3)I)C)C(F)(F)F I709252
CC1(C=C(C(N1O)(C)C)CI)C I709500
c1cc2c(cccc2I)c(c1)S(=O)(=O)Cl I714800
c1cc2c(cccc2I)c(c1)S(=O)(=O)N3CCCNCC3.Cl I715000
c1cc(c(cc1I)[N+](=O)[O-])C(=O)O I715600
c1ccc(c(c1)O)I I717500
c1cc(ccc1/N=N/C(=N\Nc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])I.[Na+].[Na+] I718225
CC(C)(C)OC(=O)Nc1cccc(c1)I I718260
c1cc(ccc1N/N=C(\c2ccc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-])/N=N/c3ccc(cc3)I)[N+](=O)[O-].[Na+].[Na+] I718750
CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)Oc2ccc(cc2)I)C(=O)OC)OC(=O)C I718770
CC(=O)N(CCCI)OCc1ccccc1 I718880
CCCCNC(=O)OCC#CI I718950
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])NC(=O)OCC#CI I718952
c1ccc2c(c1)cccc2CNC/C=C/I I719475
c1cc2c([nH]nc2I)nc1 I719480
c1cnc(cc1I)C#N I719485
c1c(cc(cc1O)I)O I719490
CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)Oc2cc(cc(c2)I)O)C(=O)OC)OC(=O)C I719510
c1cc2c(cc1I)c(=O)nc[nH]2 I719580
c1cc(ccc1NC(=O)CCCCCCC(=O)NO)I I719800
C1CC(=O)N(C1=O)I I719900
c1cc(ccc1O)Oc2ccc(cc2I)CCN.Cl I720500
[2H]C([2H])(c1ccc(c(c1)I)Oc2ccc(cc2)O)C([2H])([2H])N.Cl I720502
c1cc(ccc1O)Oc2ccc(cc2I)C[C@@H](C(=O)O)N I721500
Cc1ccc(cc1)S(=O)(=O)n2cc(nc2)I I724375
Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2I)Cn3cncn3 I724560
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc(c2I)C#N)OC(=O)C)OC(=O)C I724680
C(#N)c1c(c(c(c(c1Cl)I)Cl)C#N)Cl I724750
c1cc(c(cc1C2(N=N2)C(F)(F)F)I)CO I724765
c1ccc(cc1)C(=O)OCc2ccc(cc2I)C3(N=N3)C(F)(F)F I724770
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)I I724850
c1c(c2c(ncnc2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)N)I I725000
c1cc(c(cc1C[C@@H](C(=O)O)N)I)O I728250
c1cc2c(cc(c(c2nc1)O)I)I I728400
CCCCCCCCCCCI I728800
c1c(c(=O)[nH]c(=O)[nH]1)I I728900
CN(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO I729500
[2H]C([2H])([2H])N(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO I729502
CC\1=CCCC(/C1=C/CC(C)O)(C)C I731250
CC1=CCCC(C1/C=C/C(=O)C)(C)C I731275
CC1=C(C(CCC1)(C)C)/C=C/C(=O)C I731280
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=O)/C I734000
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/C=O)/C)(C)C)[2H] I734002
CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=O)/C I734005
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#N)/C I735000
CC1=C(C(CCC1)(C)C)/C=C/C(=C/CO)/C I735250
Cc1cc(oc(=O)c1)/C=C(\C)/C=C/C2=C(CCCC2(C)C)C I735300
[2H]C1(CCC(C(=C1C([2H])([2H])[2H])/C=C/C(=C/c2cc(cc(=O)o2)C)/C)(C)C)[2H] I735302
C[C@@H](C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O I735600
[2H]C([2H])([2H])[C@@H](C(=O)Nc1c(c(c(c(c1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O I735602
[2H]C([2H])(C(C([2H])([2H])O)NC(=O)c1c(c(c(c(c1I)NC(=O)[C@H](C)O)I)C(=O)NC(C([2H])([2H])O)C([2H])([2H])O)I)O I735603
CN(CC(CO)O)C(=O)c1c(c(c(c(c1I)NC(=O)COC)I)C(=O)NCC(CO)O)I I735700
[2H]C([2H])([2H])OCC(=O)Nc1c(c(c(c(c1I)C(=O)N(C)CC(CO)O)I)C(=O)NCC(CO)O)I I735702
C(CO)N(c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO I737000
CC(=O)N(C)c1c(c(c(c(c1I)C(=O)NCC(=O)Nc2c(c(c(c(c2I)C(=O)[O-])I)C(=O)NCCO)I)I)C(=O)NC)I.[Na+] I737300
CC(=O)N(CC(CO)O)c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I I737500
[2H]C([2H])(C([2H])([2H])O)NC(=O)c1c(c(c(c(c1I)N(CC(CO)O)C(=O)C)I)C(=O)NCC(CO)O)I I737502
CC(=O)Nc1c(c(c(c(c1I)C(=O)O)I)C(=O)NCCO)I I738100
[2H]C([2H])(C([2H])([2H])O)NC(=O)c1c(c(c(c(c1I)NC(=O)C)I)C(=O)O)I I738102
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@@H]6CC(CC[C@@]6([C@H]5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1.Cl I739300
CC(C)[N@+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3)C.O.[Br-] I740500
[2H]C([2H])([2H])[N@@+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3)C(C)C.[I-] I740502
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[N@+]1([C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3)C.[Br-] I740503
CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(cc(c2)Cl)Cl I745000
[2H]c1c(c(c(c(c1Cl)[2H])Cl)[2H])N2C(=O)C(N(C2=O)C(=O)NC(C)C)([2H])[2H] I745002
CC(C)c1ncc(n1C)[N+](=O)[O-] I747000
CC(C)c1ncc(n1C)[N+](=O)[O-] I747002
Cc1ccc(cc1)C(C)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C I747500
CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 I751000
[2H]C([2H])([2H])CCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 I751002
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5[nH]nnn5 I751003
CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn(n5)[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)O)O)O)O I751010
CCCCC1=NC2(CCCC2)C(=O)N1Cc3ccc(cc3)c4ccccc4c5nnn(n5)[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C I751020
CCCC(Cc1ccc(cc1)c2ccccc2c3[nH]nnn3)C4=NC5(CCCC5)C(=O)N4Cc6ccc(cc6)c7ccccc7c8[nH]nnn8 I751030
CC(C)(C)Nc1nc(nc(n1)SC)NC2CC2 I764100
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Nc1nc(nc(n1)SC)NC2CC2 I764102
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7.Cl I767500
[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])C2CCN(CC2)C(=O)Oc3ccc4c(c3)c(c5c(n4)-c6cc7c(c(=O)n6C5)COC(=O)[C@@]7(CC)O)CC)([2H])[2H])([2H])[2H])[2H].Cl I767502
CCc1c2cc(ccc2nc-3c1Cn4c3cc(c(c4=O)CO)[C@@](CC)(C(=O)[O-])O)OC(=O)N5CCC(CC5)N6CCCCC6.[Na+] I767510
CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)C(=O)OC5CC)OC(=O)N6CCC(CC6)N7CCCCC7 I767520
CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CO I769490
CC1=C(C2=C(C3(CC3)[C@@](C(=O)C2=C1)(C)O)C)CO I769500
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3] I775000
CCCCC(CC)C(=O)[O-].[Fe+3] I775200
C.CC(C(=O)[O-])O.CC(C(=O)[O-])O.[Fe+2] I775400
c1cc(c(cc1Cl)c2nc(nc(n2)N)N)Cl.C(=C\C(=O)O)\C(=O)O I777000
Cc1cc(ccc1O)C2(c3ccccc3NC2=O)c4ccc(c(c4)C)O I777500
c1ccc2c(c1)c(=O)oc(=O)[nH]2 I777600
C[C@@H](c1nc(cs1)c2ccc(cc2)C#N)[C@](Cn3cncn3)(c4cc(ccc4F)F)O I777830
[2H]c1c(c(c(c(c1C#N)[2H])[2H])c2csc(n2)[C@H](C)[C@](Cn3cncn3)(c4cc(ccc4F)F)O)[2H] I777832
CC(C)Cc1ccc(cc1)C(=O)C I780065
CC(C)Cc1cccc(c1)C(C)C(=O)O I780080
[2H]C([2H])([2H])C(c1cccc(c1)CC(C)C)C(=O)O I780082
CC(C)COC(=O)c1ccc(cc1)O I780100
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])OC(=O)c1ccc(cc1)O I780102
CC(C)C1OCC(CO1)C(=O)Nc2c(c(c(c(c2I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I)C(=O)N(C)CC(COC(=O)C)OC(=O)C)I I780150
CC(C)Cc1ccc(cc1)C(C)O I780300
CC(C)Cc1ccc(cc1)CCC(=O)O I780335
CCC(=O)c1ccc(cc1)CC(C)C I780390
CC(C)Cc1ccc(cc1)C(=O)C(C)(Br)Br I780400
CC(C)C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C.[Cl-] I780500
[2H]C([2H])([2H])C(C(=O)O[C@H](CC(=O)O)C[N+](C)(C)C)C([2H])([2H])[2H].[Cl-] I780502
CC(C)Cc1c2c(c(ncn2)Cl)[nH]n1 I780530
CC(C)Cc1c(c([nH]n1)C(=O)O)N I780615
CC(C)Cc1c2c(cncn2)[nH]n1 I780620
CC(C)Cc1c(c([nH]n1)C(=O)O)[N+](=O)[O-] I780625
CC(C)Cc1cc([nH]n1)C(=O)O I780630
CCOc1ccc(cc1c2[nH]c(=O)c3c(n2)c(nn3C)CC(C)C)S(=O)(=O)N4CCN(CC4)C I780650
CC(C)C(=O)OCc1ccc(c(c1)[C@@H](CCN(C(C)C)C(C)C)c2ccccc2)OC(=O)C(C)C I780700
CC(C)C(=O)NCC(=O)O I780750
CC(C)C(=C1C(=O)OC(OC1=O)(C)C)O I781000
CC(C)C(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CC[N+]([C@H](C2)[C@@]5(CCC4=O)O)(C)CC6CC6.[I-] I781010
[2H]C([2H])([2H])[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC(=O)C(C)C)CC6CC6.[I-] I781012
CC(C)C(=O)Oc1ccc2c3c1O[C@@H]4[C@]35CCN([C@H](C2)[C@@]5(CCC4=O)O)CC6CC6 I781020
CC(C)C(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccccc2 I781040
CC(C)Cn1c2c(c(=O)n(c1=O)C)nc[nH]2 I785000
CC(C)CC1CC(=O)NC1 I786500
CC(C)Cc1ccc(cc1)C=C I787500
CC(C)CNC(=O)N I789000
CC(C)C(=O)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C([C@H]([C@H](O3)COC(=O)C(C)C)OC(=O)C(C)C)OC(=O)C(C)C I789150
Cc1cc(no1)C(=O)NNCc2ccccc2 I789300
C/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)C)OC(=O)C)C I789500
[2H]C([2H])([2H])/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](C[C@@H]3[C@]2(CO3)OC(=O)C)O)(C(=O)[C@@H](C4=C([C@H](C[C@@]1(C4(C)C)O)OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)C)OC(=O)C)C I789502
C[C@@]1(c2c(ccc(c2C(=O)O1)O)Cl)[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=O)C3)O)C(=O)N)O)N(C)C I790000
COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC I798000
c1cc(c(c(c1)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl)Cl.[N+](=O)(O)[O-] I798250
c1ccnc(c1)N=C=O I806800
CC1(CC(CC(N1O)(C)C)N=C=O)C I807000
CCCCCCCC(=O)C([C@@H]([C@H](C)C/C=C/C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC)NC I811500
CCCC.CCCCC(=O)C([C@@H]([C@H](C)C/C=C/C)OC)NC I811550
c1cn(c(nc1=O)N)[C@H]2C([C@H]([C@H](O2)CO)O)O I812250
CCN(CC)CC.c1cn(c(nc1=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O I812265
c1cnc(nc1O)N I812500
CN[C@H]1CCc2cc(c(c(c2-c3c1cc(c(=O)cc3)OC)OC)OC)OC I814125
c1cc2c(nc1)C(c3ccc(cc3CC2)Cl)C4=CCNCC4 I815000
c1c(c[n+](c(c1CC[C@@H](C(=O)O)N)CCC[C@@H](C(=O)O)N)CCCC[C@@H](C(=O)O)N)CC[C@@H](C(=O)O)N.[Cl-] I815050
CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C I815500
C1[C@H]([C@H]([C@@H](CN1)O)O)CO I816005
C1[C@@H]([C@H]([C@@H](CN1)O)O)CO.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O I816010
COc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O I816150
[2H]C([2H])([2H])Oc1ccc(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C=C/C(=O)O I816152
COc1ccc(cc1OS(=O)(=O)O)/C=C/C(=O)O I816160
[2H]C([2H])([2H])Oc1ccc(cc1OS(=O)(=O)O)/C=C/C(=O)O I816162
C[C@@H]1C[C@@H]([C@@H]2[C@@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)[C@@H](C)[C@@H](/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)O)C)OC)OC I816250
c1cc(c(cc1F)F)C(Cn2cnnc2)(Cn3cncn3)O I816400
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)C([2H])([2H])O)O)C)O)F)C I816600
[2H]C1=C2[C@](C=CC1=O)([C@]3([C@H](C[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@@]4(C(=O)CO)O)C)O)F)C I816602
CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O I816610
c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)NCc2cnc-3c(=O)nc(nc3[nH]2)N I817500
c1cc(oc1)CNc2cc(c(cc2S(=O)(=O)N)C(=O)O)Cl I818500
c1nc2c(=O)[nH]c(nc2n1COCC(CO)O)N I818750
CC1CNCCN1c2c(cc3c(c2OC)n(cc(c3=O)C(=O)O)C4CC4)F I818850
[2H]C([2H])([2H])Oc1c2c(cc(c1N3CCNCC3C)F)c(=O)c(cn2C4CC4)C(=O)O I818852
c1[nH]c2c(nc(=O)[nH]c2n1)N I819000
c1nc2c(nc(=O)[nH]c2n1[C@H]3[C@H](C([C@H](O3)CO)O)O)N I819500
CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2[nH]c(=O)nc3N)OC(=O)C)OC(=O)C I819510
C1CNCC=C1C(=O)O.Cl I819560
CC(C)CCCO I819615
[2H]C([2H])([2H])C([2H])(CCCO)C([2H])([2H])[2H] I819617
CC(C)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3.[Br-] I819620
[2H]C([2H])([2H])C([2H])(CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3)C([2H])([2H])[2H].[Br-] I819622
CC(=CCOc1c2ccc(=O)oc2cc3c1cco3)C I820150
CCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CCCCCC)OC(=O)[C@H]([C@@H](C)CC)NC=O I820200
c1cc(ccc1C#N)C(c2ccc(cc2)C#N)n3cnnc3 I820300
C1C2C(=O)C=CC(O1)O2 I820750
c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)O)O I820850
CCOC(=O)N1CCC(=CC1)C2c3ccc(cc3CCc4c2nccc4)Cl I821050
C(C1[C@H]([C@@H](C([C@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)O)O)O)O)O)O)O)O I821250
C(C1[C@H]([C@@H](C([13C@H](O1)OCC2[C@H]([C@@H](C([C@@H](O2)O)O)O)O)O)O)O)O I821252
CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)/N=N/Nc5cccc(c5)C(=N)N)N.Br.[Br-] I821265
[2H]C([2H])([2H])C([2H])([2H])[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)/N=N/Nc5cccc(c5)C(=N)N)N.Br.[Br-] I821267
CCC(=O)C(c1ccccc1)(c2ccccc2)C(C)CN(C)C.Cl I821270
[2H]C([2H])([2H])CC(=O)C(c1ccccc1)(c2ccccc2)C(C)CN(C)C.Cl I821272
CCC(=N)C(c1ccccc1)(c2ccccc2)C(C)CN(C)C I821280
CC(CN(C)C)C(C#N)(c1ccccc1)c2ccccc2 I821300
CC(CCC=C(C)C)NC.C(=C\C(=O)O)\C(=O)O I821325
[2H]C([2H])([2H])NC(C)CCC=C(C)C.C(=C\C(=O)O)\C(=O)O I821327
c1cc(cnc1)C2CCC=N2 I821350
c1cnccc1C(=O)NN I821450
[2H]c1c(nc(c(c1C(=O)NN)[2H])[2H])[2H] I821452
c1ccnc(c1)C(=O)NN I821455
c1cc(cnc1)C(=O)NN I821460
c1ccnc(c1)c2cccnc2 I821675
[2H]c1c(c(nc(c1[2H])c2cccnc2)[2H])[2H] I821680
c1cnccc1C(=O)N I821700
CN1CCC(C1)c2cccnc2 I821710
[2H]C([2H])([2H])N1CCC(C1)c2cccnc2 I821712
c1cnccc1C(=O)O I821760
[2H]c1c(nc(c(c1C(=O)O)[2H])[2H])[2H] I821762
Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](/C=C/C=C(/C(=O)Nc(c2O)c(c3O)/C=N/NC(=O)c5ccncc5)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O I821780
C1CNCCC1C(=O)N I821800
COC(=O)C1CCNCC1 I821810
CC(=C)CCOP(=O)(O)OP(=O)(O)O I821832
[2H]C(=C(CCOP(=O)(O)OP(=O)(O)O)C([2H])([2H])[2H])[2H] I821850
CC(=O)N(CC(COC)O)c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I I821852
CCCCCCCCCCCCC[C@@H](C[C@H]1[C@@H](C(=O)O1)CC(C)CC)OC(=O)[C@H](CC(C)C)NC=O I821870
CC(C)CCn1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 I821900
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)c3cccc4c3cccc4 I821925
CCCCCOC(=O)c1ccccc1C(=O)OCCC(C)C I821927
[2H]c1c(c(c(c(c1[2H])C(=O)OCCCCC)C(=O)OCCC(C)C)[2H])[2H] I821930
CC1(CC(CC(C1)(C)CN)N)C I821932
[2H]C1(C(CC(CC1(CN)C([2H])([2H])[2H])N)(C)C)[2H] I821935
[2H]C1(CC(CC(C1)(C)C([2H])([2H])N)(C)C)N I821937
C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)O)C)C1)C=C I821940
[2H]C1(C(CC(=O)CC1(C#N)C([2H])([2H])[2H])(C)C)[2H] I821947
CC[C@@H]1C(COC1=O)Cc2cncn2C I821970
CC(CN(C)C)O.CC(=O)Nc1ccc(cc1)C(=O)O.c1nc2c(c(n1)O)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O I822350
CC(C)c1ccccc1OC(=O)NC I822400
CC(CN(C)C)N1c2ccccc2Sc3c1cccc3.Cl I822500
[2H]C([2H])([2H])N(C)CC(C)N1c2ccccc2Sc3c1cccc3.Cl I822502
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])O I822752
CC(=C)n1c2ccccc2[nH]c1=O I822800
CC(C)c1cccc(c1O)C(=C)C I822850
CC(=C)n1c2ccccc2n(c1=O)CCCC(=O)O I822900
CCOC(=O)CCCn1c2ccccc2n(c1=O)C(=C)C I822950
CC(C)OCCOCc1ccc(cc1)O I823300
CC(C)OCCOC(=O)c1ccc(cc1)OCC2CO2 I823350
CC(C)OCCOC(=O)c1ccc(cc1)O I823360
CC(C)OC(=O)CC(=O)C I823725
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OC(=O)CC(=O)C I823727
CC(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C I823900
CC(C)OS(=O)(=O)CCCNC(=O)C I823950
CC(C)NN(N=O)[O-] I824000
CC(C)Nc1cccc2c1C(=O)c3ccccc3C2=O I824015
CC(C)OC(=O)/C=C(\C)/N I824030
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(Cn1ccc2c1cccc2OCC(CNC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)O I824042
Cc1ccc(cc1)C(=O)CNC(C)C.Cl I824050
CC(C)OS(=O)(=O)CCC[NH3+].[Cl-] I824150
CC(C)OS(=O)(=O)c1ccccc1 I824350
CCOC(=O)C(C(C)C)(C(=O)OCC)OCc1ccccc1 I824360
CCOC(=O)[C@@](C(C)C)(C(=O)O)OCc1ccccc1.c1cc(ccc1[C@@H]([C@H](CO)N)O)[N+](=O)[O-] I824370
CC(C)N(CCOc1ccccc1OC)CC(COc2cccc3c2c4ccccc4[nH]3)O I824390
[2H]C([2H])([2H])C(C([2H])([2H])[2H])N(CCOc1ccccc1OC)CC(COc2cccc3c2c4ccccc4[nH]3)O I824392
CC([C@H]1CC[C@@H](CC1)C(=O)O)C I824400
CC(C)c1cn(c(=O)[nH]c1=O)[C@H]2C[C@H]([C@H](O2)CO)O I824410
CC(C)C1OCC(CO1)(C(=O)O)C(=O)O I824420
CCOC(=O)C1(COC(OC1)C(C)C)C(=O)OCC I824425
CC(C)[C@@H]1C(=NCC(=N1)OC)OC I824430
CC(C)C1OCC(CO1)C(=O)O I824460
CC(C)n1cc(c2c1cccc2)c3ccc(cc3)F I824525
CC(C)NN.Cl I824550
CC(C)OC(=O)C1=C(c2ccccc2S(=O)(=O)N1)O I824575
CC(C)OC(=O)C1=C(c2ccccc2S(=O)(=O)N1C)O I824600
CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cnc4c3ncnc4N)CO)C I824675
CC1(O[C@H]2[C@@H](O1)[C@@H](O[C@@H]2C(=O)O)n3cnc4c3ncnc4N)C I824695
Cc1ccc(cc1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)c2ccc(cc2)C)C(=O)O.CC1(OCc2cc(ccc2O1)[C@H](CNC(C)(C)C)O)C I824710
CC1(O[C@@H]2C(O1)[C@H](OC2=O)[C@H](CO)O)C I824740
CC1(O[C@H]2[C@H](O1)[C@@H]([C@H]([C@H]([C@@H]2OCc3ccccc3)O)O)OCc4ccccc4)C I824755
CC1(O[C@H]2[C@H](O1)[C@H]([C@@H]([C@@H]([C@H]2OCc3ccccc3)O)OC(c4ccccc4)(c5ccccc5)c6ccccc6)OCc7ccccc7)C I824760
CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cc(c(nc3=O)N)Cl)CO)C I824780
CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cc(c(=O)[nH]c3=O)Cl)CO)C I824850
Cc1ccc(cc1)S(=O)(=O)OC[C@H]2[C@H]([C@H]3[C@@](O2)(OC(O3)(C)C)COS(=O)(=O)c4ccc(cc4)C)O I824925
CC1(OC[C@@H](O1)[C@H]2CC(=O)c3cc(ccc3O2)F)C I824935
CC1(OC[C@@H](O1)[C@@H]2CC(=O)c3cc(ccc3O2)F)C I824940
CC1(OC[C@H](O1)[C@H]2CC(=O)c3cc(ccc3O2)F)C I824945
CC1(OC[C@H](O1)[C@@H]2CC(=O)c3cc(ccc3O2)F)C I824950
CC1(OC[C@H](O1)/C=C/C(=O)c2cc(ccc2O)F)C I824955
CC1(OC[C@@H](O1)/C=C/C(=O)c2cc(ccc2O)F)C I824960
CC1(O[C@@H]2COC(=O)[C@@H]2O1)C I825000
CCCC1C[C@@H](N(C1)C)C(=O)NC(C2[C@H]3[C@H](C([C@H](O2)SC)O)OC(O3)(C)C)C(C)O I825030
CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cc(c(nc3=O)N)F)CO)C I825050
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cc(c(=O)[nH]c3=O)F)C I825100
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)[15n]3cc(c(=O)[15nH][13c]3=O)F)C I825102
CC1(O[C@@H]2[C@@H](O1)O[C@@H](C2O)C(CO)O)C I825125
CC1(O[C@@H]2[C@@H]3[C@@H]([C@H](C(=O)O3)O)O[C@@H]2O1)C I825150
CC1(O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2O1)O)O)O)O)C I825200
CC(=O)O[C@H]1[C@H]2[C@@H]([C@H]([C@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(O2)(C)C I825205
CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(COS(=O)(=O)C)O)O)C I825275
CCCCCCCC/C=C\CCCCCCCC(=O)OCC1COC(O1)(C)C I825375
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)O)C I825450
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)n3cnc(n3)C(=O)OC)CO)C I825500
CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)O)O[C@@H]2O1)C I866300
CC1(O[C@@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)OC(=O)C(C)(C)C)O[C@@H]2O1)C I866320
CC1(O[C@H]2[C@H](O[C@H](C2O1)n3cnc(n3)C(=O)N)CO)C I866880
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3nc([nH]c4=O)N)C I868300
CC1(OC[C@H](O1)[C@@H]2C([C@H](C(=O)O2)O)O)C I868400
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3cnc4c3ncnc4O)C I868500
Cc1c2c(c(cn1)C=O)COC(O2)(C)C I868550
CC1=C2[C@@H](C(=O)[C@]34C[C@H]3C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]6[C@@H](N(C(O6)(C)C)C(=O)OC(C)(C)C)c7ccccc7)O)OC(=O)c8ccccc8)(CO5)OC(=O)C)OC(=O)C I868630
CC1(O[C@@H]2[C@@H](OC(=O)[C@@H]2O1)CO)C I868650
CC1(O[C@@H]2[C@H](O1)C(=O)OC2CO)C I868655
Cc1c2c(c(cn1)CO)COC(O2)(C)C I868660
CC1(O[C@@H]2CN3CCC[C@H]([C@@H]3[C@@H]2O1)O)C I868875
CC1(O[C@H]2[C@H](O[C@@H](C2O1)n3cnc(n3)C(=O)N)CO)C I868885
CC1(O[C@H]([C@H](O1)C(=O)OC)C(=O)OC)C I868910
CC1(O[C@@H](C(O1)CO)CO)C I868935
CC1(O[C@@H]2[C@@H](O[C@@H](C2O1)CO)n3ccc(=O)[nH]c3=O)C I869000
CC1(O[C@@H]2[C@H](O1)C(O[C@H]2N)CO)C I870050
CC(=O)OC[C@@H]1[C@H]2[C@H](C(O1)n3cnc(n3)C(=O)OC)OC(O2)(C)C I870060
CC(=O)OC[C@@H]1[C@H]2[C@H]([C@H](O1)n3cnc(n3)C(=O)OC)OC(O2)(C)C I870065
CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3cnc(n3)C(=O)OC)OC(O2)(C)C I870070
CC(=O)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)n3c(ncn3)C(=O)OC)OC(O2)(C)C I870075
CC1(O[C@@H]2[C@H](OC(=O)C2O1)CO)C I870150
CC1(O[C@@H]2C([C@@H](O[C@]2(O1)CO)CO)O)C I870400
CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)OC(=O)C[C@H]4C[C@H](OC(O4)(C)C)CC[C@H]5[C@H](C=CC6=C[C@@H](C[C@@H]([C@H]56)OC(=O)C(C)(C)CC)C)C)C I871150
CC1(O[C@H]2[C@@H]([C@H](O[C@@H]2O1)CO)O)C I872000
CC(C)c1ccccc1OC(C)C I872100
CC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl I872150
CC(C)NC I872250
Cc1ccc2ccc3cc4cc(ccc4cc3c2c1)C(C)C I872275
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)n3cc(c(=O)[nH]c3=O)F)C(C)C I872290
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H]2O[C@@H](CS2)[15n]3cc(c(=O)[15nH][13c]3=O)F)C(C)C I872300
CCCC(C)(CO)COC(=O)NC(C)C I872302
[2H]C([2H])([2H])C(CCC)(CO)COC(=O)NC(C)C I872625
Cc1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C(C)C I872627
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3)C)C([2H])([2H])[2H] I872647
Cc1nnc(n1C2CC3CCC(C2)N3CC[C@@H](c4ccccc4)N)C(C)C I872650
[2H]C([2H])([2H])C(c1nnc(n1[C@@H]2C[C@H]3CC[C@@H](C2)N3CC[C@@H](c4ccccc4)N)C)C([2H])([2H])[2H] I872652
Cc1c2ccc(cc2cc(c1C(C)C(=O)O)C(C)C)OC I872665
CC(C)N1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 I872680
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 I872682
CC(C)c1ccccc1O I872700
CC(C)c1cccc(c1)O I872705
CC(C)c1ccc(cc1)O I872710
CC(C)[C@H]1COC(=O)N1 I872820
CCCC(=O)N1[C@H](COC1=O)C(C)C I872835
CCCCC[C@H](CC(=O)OC(C)(C)C)C(=O)N1[C@H](COC1=O)C(C)C I872850
CC(C)OC(=O)c1ccc(cc1)O I872860
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])OC(=O)c1ccc(cc1)O I872862
CCCC(C(C)C)C(=O)O I872870
CC(C)c1ccccc1OP(=O)(Oc2ccccc2)Oc3ccccc3 I872875
CC(C)[C@H](CN)c1ccccc1 I872880
CC(C)c1ccc(cc1)CC2CNC2 I872885
CC(C)c1ccc(cc1)NN.Cl I872890
CCCc1cccc(c1O)C(C)C I872895
CCCc1ccc(cc1)OP(=O)(Oc2ccccc2)Oc3cccc(c3)C(C)C I872900
CC(C)n1c2c(cc(cn2)N)cn1 I872910
CC(C)NC1CCNCC1 I872920
CC(C)OC1CCC(=O)CO1 I872960
CC(C)OC1C=CC(=O)CO1 I872970
CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O I873000
CC(C)c1ccc2c(c1)c(=O)c3ccccc3s2 I873500
[2H]C([2H])([2H])C([2H])(c1ccc2c(c1)c(=O)c3ccccc3s2)C([2H])([2H])[2H] I873502
CCOC(=O)C(C(C)C)(C(=O)OCC)O I873570
Cc1ccc(cc1)S(=O)(=O)OC(C)C I873800
CC(C)NCC(c1ccc(c(c1)O)O)O.Cl I874200
c1nc(n(n1)[C@H]2C([C@H]([C@H](O2)CO)O)O)C(=O)N I895000
CN(C)CCc1cc2cc(ccc2[nH]1)Cn3cncn3 I895500
[2H]C([2H])([2H])N(CCc1cc2cc(ccc2[nH]1)Cn3cncn3)C([2H])([2H])[2H] I895502
c1cc2c(cc1S(=O)(=O)O)C(=O)C(=O)N2.O.[NaH] I900650
CCCc1c2c(c(=O)[nH]c(n2)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)C)nn1C I900800
[2H]C([2H])([2H])N1CCN(CC1)S(=O)(=O)c2ccc(c(c2)c3[nH]c(=O)c4c(n3)c(n(n4)C)CCC)OCC I900802
COc1cc(ccc1O)C2C(Oc3cc(ccc3O2)C4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO I901000
c1cc(cc2c1ccnc2)CCO I901500
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O)O I901680
[13CH2]1[13C@H]([13C@@H]2[13C@H](O1)[13C@H]([13CH2]O2)O)O I901682
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-] I901700
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])n1cc(c2c1cccc2)C(=O)Cc3cccc(c3)OC J211702
CCCCCn1cc(c2c1cccc2)C(=O)c3ccc(c4c3cccc4)Cl J211900
CCCCCn1cc(c2c1cccc2)C(=O)c3c4ccccc4ccc3Cl J211905
CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O K202050
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C K204950
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)N)/C)/C K204955
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C K204960
[2H]C([2H])([2H])C1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)O)\C)/C K204962
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C\C(=O)OC)\C)/C K204965
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C K204970
[2H]C([2H])([2H])C1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C K204972
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)OC)/C)/C K204975
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C K204980
[13CH2]1[13C@H]([13C@@H]2[13C@H](O1)[13C@H]([13CH2]O2)O[N+](=O)[O-])O[N+](=O)[O-] I901702
C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O I902100
[13CH2]1[13C@@H]([13C@@H]2[13C@H](O1)[13C@@H]([13CH2]O2)O[N+](=O)[O-])O I902102
C1[C@@H]([C@@H]2[C@H](O1)[C@@H](CO2)O[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O I902110
[13CH2]1[13C@@H]([13C@@H]2[13C@H](O1)[13C@@H]([13CH2]O2)O[N+](=O)[O-])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O I902112
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O I902150
[13CH2]1[13C@H]([13C@@H]2[13C@H](O1)[13C@H]([13CH2]O2)O[N+](=O)[O-])O I902152
C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C I902200
[2H]C([2H])([2H])[C@@]1(CCC[C@@]2([C@@H]1CC[C@@]34[C@H]2CC[C@@](C3)(C(=O)C4)C)C)C(=O)O I902202
C[C@]12CC[C@H]3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C I902210
[2H]C([2H])([2H])[C@@]1(CCC[C@@]2([C@@H]1CC[C@@]34[C@H]2CC[C@@](C3)(C(=O)C4)C)C)C(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O I902212
CC1=C(C[C@H](CC1)O)/C=C/C2=C3CC[C@@H]([C@]3(CCC2)C)[C@H](C)/C=C/[C@H](C)C(C)C I902450
CC(CN1c2ccccc2Sc3c1nccc3)N(C)C I902750
[2H]C([2H])([2H])N(C(C)CN1c2ccccc2Sc3c1nccc3)C([2H])([2H])[2H] I902752
CC1(CC(C([NH+]1[O-])(C)C)CN=C=S)C I903500
c1cc(ccc1N=C=S)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O I903700
CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)N=C=S I904050
c1cc(ccc1N=C=S)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I905100
c1cc(ccc1N=C=S)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I905120
c1cc(ccc1N=C=S)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O I905135
c1cc2c(cc(c3c2c4c1cc(c(c4cc3)S(=O)(=O)[O-])N=