1509
c1cc2cnccc2c(c1)S(=O)(=O)N3CCC[NH2+]CC3
40
Z
A+
A
A-
B+
B
B-
C+
C
C-
1950
C[C@H](C1CCC(CC1)C(=O)Nc2ccncc2)[NH3+]
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
1116
c1cscc1c2cc(c(s2)C(=O)N)N
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
689
c1cc2c(cccc2Cl)c(c1)S(=O)(=O)N3CCC[NH2+]CC3
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
1888
Cc1ccc(cc1NC(=O)c2ccc(cc2)O)NC(=O)c3cccc(c3)N(C)C
13
Z
A+
A
A-
B+
B
B-
C+
C
C-
1852
CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cccc(c3)Cl
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
2208
CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)Nc3cc(cc(c3)Cl)N
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
1232
C[NH+](C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4c[nH]c5c4cccc5
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
1601
c1cc(ccc1Nc2cc3c(cc2Nc4ccc(cc4)F)C(=O)NC3=O)F
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1970
COc1nccc(n1)c2c(ncn2C3CCC(CC3)O)c4ccc(cc4)F
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
2078
c1ccnc(c1)c2c(nc([nH]2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCO5
23
Z
A+
A
A-
B+
B
B-
C+
C
C-
1316
COc1ccc(cc1OC)C(=O)Nc2c(c3c(s2)CCCC3)C(=O)N
27
Z
A+
A
A-
B+
B
B-
C+
C
C-
1736
CC(C)(C)n1c2c(c(n1)c3ccc(cc3)Cl)c(ncn2)N
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
61
COc1cccc(c1N)c2cc(=O)c3ccccc3o2
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
2059
CC(C)[NH+](CCC(=O)c1ccc2ccccc2c1)Cc3ccccc3
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
2421
COc1cc2c(ccnc2cc1OC)Oc3ccc(c(c3)F)NC(=O)Nc4ccc(cc4F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
283
Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4ccc(cc4Cl)Cl
17
Z
A+
A
A-
B+
B
B-
C+
C
C-
2247
C[NH+]1CCC(CC1)Nc2ncc3c(n2)c(ncn3)Nc4ccc(c(c4)Cl)F
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
2585
Cc1ccccc1C(=O)c2ccc(cc2Cl)Nc3ccc(cc3N)Br
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1097
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
15
Z
A+
A
A-
B+
B
B-
C+
C
C-
204
c1ccc(c(c1)/C(=C(\N)/Sc2ccc(cc2)N)/C#N)C(F)(F)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
1183
c1cc2cnccc2c(c1)S(=O)(=O)NCC[NH2+]C/C=C/c3ccc(cc3)Br
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
1997
c1ccc(c(c1)C2=C(C(=O)NC2=O)Nc3ccc(c(c3)Cl)O)[N+](=O)[O-]
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
50
c1ccc(cc1)CNC(=O)/C(=C/c2ccc(c(c2)O)O)/C#N
21
Z
A+
A
A-
B+
B
B-
C+
C
C-
1816
c1cc(c(cc1)S/C(=C(/C(=C(/Sc2c(cccc2)N)\N)/C#N)\C#N)/N)N
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
1931
CC(C)(C)n1c2c(c(n1)c3cccc4c3cccc4)c(ncn2)N
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
2257
COc1cc2c(cc1OC)ncnc2Nc3ccc(cc3F)Cl
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1978
Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c4cccc5)CCCSC(=[NH2+])N
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
1583
CN1c2c3c(cn(c3ncn2)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
2336
c1ccc2c(c1)Sc3cccc(c3S2)c4cc(=O)cc(o4)N5CCOCC5
14
Z
A+
A
A-
B+
B
B-
C+
C
C-
2254
Cc1ccc2c(c1C)n(c3ccccc3c2=O)CCC[NH3+]
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1851
CC(=O)/C(=C(/Nc1cc(ccc1Br)Br)\[O-])/C#N
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
261
COc1cc2c(cc1OC)n(cn2)c3cc(c(s3)C(=O)N)OCc4ccccc4C(F)(F)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
2543
c1cc(ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
2262
Cc1cc(ccc1Nc2c(cc(c(c2F)F)F)C(=O)NOCC3CC3)I
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1134
c1cc(c(cc1Cl)C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)O
6
Z
A+
A
A-
B+
B
B-
C+
C
C-
418
Cn1cc(c2c1cccc2)/C=C\3/c4c(cccn4)NC3=O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
565
c1ccc2c(c1)-c3c4c(cccc4[nH]n3)C2=O
38
Z
A+
A
A-
B+
B
B-
C+
C
C-
2432
Cc1ccc(cc1)NC2=CC(=O)c3c(nc(s3)C)C2=O
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
2477
c1ccc(cc1)c2cc3c(c4cc(ccc4[nH]3)O)c5c2C(=O)NC5=O
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
1956
c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
1712
c1cc2c(cc1n3c(=O)[nH]nc3Sc4ncc(s4)[N+](=O)[O-])OCCO2
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
2619
c1ccc2c(c1)ccn3c2nc(cc3=O)N4CCOCC4
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
2508
Cc1cc2c(cc1C=O)n(c-3nc(=O)[nH]c(=O)c3n2)C
2
Z
A+
A
A-
B+
B
B-
C+
C
C-
2122
c1cc2c(cc[nH]c2=O)c(c1)S(=O)(=O)N3CCC[NH2+]CC3
12
Z
A+
A
A-
B+
B
B-
C+
C
C-
2255
Cc1cc(c(cc1O)Nc2c3ccc(cc3ncn2)OCc4ccccc4)F
10
Z
A+
A
A-
B+
B
B-
C+
C
C-
1985
c1cc(ccc1Nc2c3c(ncnc3[nH]n2)N)F
8
Z
A+
A
A-
B+
B
B-
C+
C
C-
2420
c1ccc2c(c1)cc(s2)c3ccnc(n3)Nc4ccc(cc4)C(=O)N5CCC(CC5)[NH+]6CCCC6
5
Z
A+
A
A-
B+
B
B-
C+
C
C-
2536
CC[NH+](CC)CCCCN1c2ccccc2Oc3c1cc(cc3)Cl
4
Z
A+
A
A-
B+
B
B-
C+
C
C-
2525
c1ccnc(c1)c2c([nH]c(n2)c3ccc(cc3)C(=O)N)c4ccc5c(c4)OCCO5
7
Z
A+
A
A-
B+
B
B-
C+
C
C-
1428
c1ccc2c(c1)c(ccn2)c3c[nH]nc3c4ccccn4
19
Z
A+
A
A-
B+
B
B-
C+
C
C-
2266
c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=O)Br)/N2
9
Z
A+
A
A-
B+
B
B-
C+
C
C-
113 156 21
C[S@](=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4
28
Z
A+
A
A-
B+
B
B-
C+
C
C-
561
c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O
49
Z
A+
A
A-
B+
B
B-
C+
C
C-
190
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
45
Z
A+
A
A-
B+
B
B-
C+
C
C-
2251
COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
2582
c1cc2c(cc(=[N+]3CCOCC3)oc2c(c1)c4ccc(cc4)N)O
3
Z
A+
A
A-
B+
B
B-
C+
C
C-
2181
c1ccc2c(c1)ccc3c2oc(=[N+]4CCOCC4)cc3O
11
Z
A+
A
A-
B+
B
B-
C+
C
C-
52
c1ccc(cc1)c2cccc3c2oc(=[N+]4CCOCC4)cc3O
18
Z
A+
A
A-
B+
B
B-
C+
C
C-
2697
c1ccc(cc1)c2cc3c(c[nH]c3nc2)c4ccc(c(c4)C5CCCC5)C(=O)[O-]
6
Z
A+
A
A-
B+
B
B-
C+
C
C-