COC(=O)/C=C(/C=C(/C(=O)[O-])\O)\C(=O)[O-] CPD-13530 C(CC(=O)NC(CS)C(=O)NC(CCC(=O)NC(CS)C(=O)NCCC(=O)[O-])C(=O)[O-])C(C(=O)[O-])[NH3+] CPD-13498 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)OP(=O)([O-])[O-] CPD-13469 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3C=C(C(=O)[C@H](O3)C)[O-])O CPD-13380 C(C[NH3+])CN(CCC[NH3+])CCC[NH3+] CPD-13492 CCCCCCCCCCO[C@H]1C([C@H](C([C@H](O1)CO)O)O)O CPD-13471 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C CPD-13524 C([C@@H]1[C@H]([C@H](C(=O)O1)O)O)O CPD-13413 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)[O-])CO)O[C@H]4[C@H]5CO[C@@H]4[C@H]([C@H](O5)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OS(=O)(=O)[O-])CO)O)O)O)O)O)O CPD-13446 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O CPD-13431 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O CPD-13433 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])O)O CPD-13453 c1ccc2c(c1)c(c[nH]2)CCNC(=O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4nc([nH]c5=O)N)O)O CPD0-2464 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O CPD-13462 C1CN2CC=C([C@@H]2[C@@H]1O)CO CPD-13504 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)[O-])CO)O[C@H]4[C@H]5CO[C@@H]4[C@H]([C@H](O5)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OS(=O)(=O)[O-])CO)O)O)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O CPD-13447 CC[C@H]1CCCC([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(=C[C@H]3[C@@H]2CC(=O)O1)C)OC5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)[NH+](C)C CPD-13386 CC(C)CC(C(=O)[O-])NC(=O)C(C)[NH3+] CPD-13398 C[C@H](C(C(=O)[O-])NC(=O)C(C)[NH3+])O CPD-13397 C(=N)(N)N CPD-13517 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)COS(=O)(=O)[O-])O)O)O)O)O CPD-13440 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO)O)O)O)O)O CPD-13409 C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3[C@H](C(COC3OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC7C([C@H](C(CO7)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)COC1C([C@H](C(CO1)O)O)O)O)O)O)O)O)O)O)CO)O)O)O)O)O CPD-13417 CC(C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC(C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)[O-])NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C CPD-13527 CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-13534 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O)O)CO)O)O)O CPD-13435 C(CCNC(=[NH2+])N)C[NH2+]CCC[NH3+] CPD-13489 CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)OC)O)O CPD-13494 COc1cc2cc3c(c(c2cc1OC)c4ccc5c(c4)OCO5)C(=O)OC3 CPD-13455 c1cc(ccc1CO)N CPD-13482 CSCCC(C(=O)[O-])NC(=O)C[NH3+] CPD-13393 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3CC[C@@H]([C@H](O3)C)[NH+](C)C)O CPD-13384 C1[C@@H](C=C(O1)C(=O)[O-])[NH3+] CPD0-2462 COc1cc2c(cc1OC)C(C3C(C2)COC3=O)c4ccc5c(c4)OCO5 CPD-13464 c1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CPD-13502 c1cc(c(cc1c2c(c(=O)c3ccc(cc3o2)O)[O-])O)O CPD-13503 C[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])[NH3+] CPD-13404 CC(C(=O)NC(CCC(=O)[O-])C(=O)[O-])NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C CPD-13529 C[C@H](CCCC(C)C)CCC[C@H](CCC/C(=C/CC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)/C)C CPD-13313 C/C(=C/CCC1([C@]2(C3C2CC1C3)C)C)/CO CPD-13496 C1CC(=O)O[C@@H]1C(=O)[O-] CPD-13414 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@@H]8CO[C@H]7[C@@H]([C@@H](O8)O)O)CO)O)O)CO)O)O)O CPD-13437 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O CPD0-2460 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O CPD-13458 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)[O-])/C)/C CPD-13548 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3CC[C@@H]([C@H](O3)C)[NH3+])O CPD-13383 CC(=CCCC1(C2CCC(C2)C1=C)C)C CPD-13475 CC(=CCC[C@@]1([C@H]2CCC(=C)[C@@H]1C2)C)C CPD-13402 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O CPD-13473 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)O CPD-13451 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCSC)O CPD-13546 C(C(C(=O)[O-])NC(=O)C[NH3+])C(=O)N CPD-13395 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@H](C(=O)[C@H](O3)C)O)O CPD-13381 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O)CO)O)O)CO)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O CPD-13439 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@@H]8CO[C@H]7[C@@H]([C@@H](O8)O[C@H]9[C@H]([C@H](O[C@H]([C@@H]9O)O[C@@H]1[C@@H]2CO[C@H]1[C@@H]([C@@H](O2)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)CO)O)O)CO)O)O)CO)O)O)CO)O)O)O CPD-13449 CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)C[C@H]1CCC(=O)[C@H]1C/C=C\CCO CPD-13420 CC1CCC(=C)C(C1(C)C)CCC(C)/C=C/C(C)(CC/C=C(\C)/CCC(C)C(=C)C)C=C CPD-13466 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[N+](C)(C)C CPD-13454 C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3[C@H](C(COC3OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](O[C@H]([C@@H]([C@H]5O)O)O)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC7C([C@H](C(CO7)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COC9C([C@H](C(CO9)O)O)O)O)O)O)O)O)O)O)CO)O)O)O)O)O CPD-13418 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)[O-])CO)O[C@H]4[C@H]5CO[C@@H]4[C@H]([C@H](O5)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OS(=O)(=O)[O-])CO)O[C@H]7[C@H]8CO[C@@H]7[C@H]([C@H](O8)O[C@@H]9[C@H]([C@@H](O[C@@H]([C@@H]9OS(=O)(=O)[O-])CO)O)O)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O CPD-13448 C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)[O-])[NH3+] CPD-13403 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)[NH3+])O CPD-13516 CC1=CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C CPD-13396 CC(C(=O)[O-])NC(=O)C(CCSC)[NH3+] CPD-13390 c1ccc2c(c1)ccc3c2cccc3 CPD-13485 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/CO)\C)/C CPD-13538 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-] CPD-13468 CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC CPD-13470 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\CO)/C)/C CPD-13550 CC(=O)C(C(=O)COP(=O)([O-])[O-])O CPD0-2467 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O)CO)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O CPD-13432 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)[O-])CO)O)O)OS(=O)(=O)[O-])O CPD-13443 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2[C@H](O[C@H]([C@@H]([C@H]2O)[NH3+])O)CO)[NH3+])O)O)O CPD-13545 CC(C(=O)NC(Cc1cnc[nH]1)C(=O)[O-])[NH3+] CPD-13401 C(C[NH3+])C[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+] CPD-13491 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C=O)/C)/C CPD-13525 C[C@H]([C@H](CCC=O)[NH+](C)C)O CPD-13379 CCC(C)[C@H]1C(=O)N[C@H](C(=O)NC(=C)C(=O)N[C@H](C(=O)N[C@]23CCC(=N[C@H]2c4csc(n4)[C@H]([C@H](OC(=O)c5cc(c6c(n5)[C@H]([C@H]([NH2+]1)C=C6)O)[C@H](C)O)C)NC(=O)c7csc(n7)[C@@H](NC(=O)[C@H]8CSC(=N8)/C(=C\C)/NC(=O)[C@@H](NC(=O)c9csc3n9)[C@@H](C)O)[C@](C)([C@@H](C)O)O)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C CPD-13481 CCCCC[C@@H](CC(=O)CCc1ccc(c(c1)O)O)O CPD-13495 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O)CO)O)O)CO)O)O)O CPD-13434 c1cc(ccc1CC(C(=O)[O-])[NH3+])N CPD-13483 COc1cc(c2c(c1)oc(c(c2=O)[O-])c3ccc(c(c3)O)O)O CPD-13511 COc1cc2c(cc1OC)C(=C3C(C2)COC3=O)c4ccc5c(c4)OCO5 CPD-13465 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O CPD-13399 C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])NO CPD-13518 [O-]I(=O)=O CPD-13505 COc1cc2c(cc1OC)c(c3c(c2c4ccc5c(c4)OCO5)C(=O)OC3)O CPD-13456 CC[C@H]1CCCC([C@H](C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)OC5[C@@H]([C@@H]([C@H]([C@@H](O5)C)OC)OC)OC)C)O[C@H]6CC[C@@H]([C@H](O6)C)[NH+](C)C CPD-13385 C(C[NH3+])C[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+] CPD-13493 C1C([C@@H](C(C(O1)OC[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]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)O)CO)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O CPD-13416 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C=O)\C)/C CPD-13536 c1c(cc(c(c1O)C(=O)[O-])O)O CPD-13499 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@@H]3OS(=O)(=O)[O-])CO)O)O)O)O CPD-13445 C([C@@H](C(=O)[O-])NC(=O)C[NH3+])C(=O)[O-] CPD-13406 c1[nH]c2c(n1)c(nc(=O)[nH]2)N CPD0-2461 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@@H]8CO[C@H]7[C@@H]([C@@H](O8)O[C@H]9[C@H]([C@H](O[C@H]([C@@H]9O)O)CO)O)O)CO)O)O)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O CPD-13450 CC(C(=O)N)O CPD-13407 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O[C@@H]7[C@@H]8CO[C@H]7[C@@H]([C@@H](O8)O[C@H]9[C@H]([C@H](O[C@H]([C@@H]9O)O)CO)O)O)CO)O)O)CO)O)O)O CPD-13436 C1[C@@H]2[C@H]([C@H](O1)[C@@H]([C@@H](O2)O)O)O CPD-13430 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@H]4[C@H]5CO[C@@H]4[C@H]([C@H](O5)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OS(=O)(=O)[O-])CO)O)O)O)CO)O)O)O CPD-13457 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O CPD-13509 C(CP(=O)(O)[O-])C(=O)[O-] CPD-13488 CC(=O)C(C(COP(=O)([O-])[O-])(O)O)O CPD0-2468 CC[C@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD-13533 C([C@@H]1[C@H]([C@@H]2[C@@H](O1)OP(=O)(O2)[O-])O)OP(=O)([O-])[O-] CPD0-2463 C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O)O CPD-13428 CC(=CCCC1(C2CCC(C2)C1=C)C)C CPD-13476 C(C(C(=O)[O-])Br)C(=O)[O-] CPD-13405 COc1cc2c(c(c1)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C[C@H](O2)c4ccc(cc4)O CPD-13510 CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)[O-])\C)/C CPD-13549 C(CC(=O)N)C(C(=O)[O-])NC(=O)C[NH3+] CPD-13394 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3CC[C@@H]([C@H](O3)C)[NH2+]C)O CPD-13389 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)COS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COS(=O)(=O)[O-])O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)COS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)O CPD-13452 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@H]([C@H]5[C@@H]([C@@H](O4)CO5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@H]([C@H]8[C@@H]([C@@H](O7)CO8)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)O)O CPD-13438 C(=S)(N)[S-] CPD-13501 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3CCC(=O)[C@H](O3)C)O CPD-13382 CC(=O)/C(=C(/COP(=O)([O-])[O-])\O)/[O-] CPD0-2466 C1C2C(C(C3C(O2)Nc4c(c(=O)[nH]c(n4)N)N3)(O)O)OP(=O)(O1)[O-] CPD-13467 c1ccc2c(c1)ccc3c2[C@H]([C@H](C=C3)O)O CPD-13486 C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)OS(=O)(=O)[O-])O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)[O-])O)O CPD-13444 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)OS(=O)(=O)[O-] CPD-13474 C/C(=C/CC[C@@]1([C@H]2CC[C@H](C2)C1=C)C)/CO CPD-13497 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/SC)O CPD-13547 CC(C(=O)[O-])NC(=O)C(CCCC(C(=O)[O-])[NH3+])[NH3+] CPD-13528 CC/C=C\CC1C(O1)C/C=C\CCCCCCCC(=O)[O-] CPD-13090 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)NCC(=O)[O-])[NH3+] CPD66-21 CC(C)CC(CC(=O)[O-])NC(=O)CC(C)NC(=O)CC(C(C)C)[NH3+] CPD-13260 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])O[C@@H]5[C@@H]([C@H]([C@H](CO5)[NH3+])O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O CPD-13352 C(C1[C@@H]([C@H]([C@@H](O1)OCC2[C@@H]([C@H]([C@@H](O2)OCC3[C@@H]([C@H]([C@@H](O3)O)O)O)O)O)O)O)O CPD-13296 C1C=CC=[NH+]1 CPD-13301 CCCCOC(=O)C CPD-13346 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)[NH3+])O)O)N CPD-13160 CCCC[C@H](C)[C@@H]([C@@H](C[C@H](C)C[C@H](CCCC[C@H](C[C@@H](C(=O)C)O)O)O)O)O CPD-13184 C1C(=Nc2c(=O)[nH]c(nc2N1)N)[C@@H]([C@@H](CO)OP(=O)([O-])[O-])O CPD-13344 CCCCCCCCCCCCCCCC(=O)OC(CO)CO CPD66-43 c1ccc(c(c1)COC(=O)C2(C=CCCC2=O)O)O CPD-13174 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C(=O)[O-])/C)/C)/C)/C=C/C=C(/C=C/C=C(/C(=O)[O-])\C)\C CPD-13151 CCCCCC(=O)Oc1ccc(cc1)N(=O)=O CPD-13117 CC[C@@](C(=O)O[C@@H]1[C@H]2C(=C[C@@H](C1)C)C=C[C@@H]([C@@H]2CC[C@H](O)CC(O)CC(=O)[O-])C)(C)C CPD66-18 C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)CO)O[C@H]3[C@@H](O[C@@H]([C@H]([C@@H]3O)O)C(=O)[O-])OC4[C@@](C5[C@@](C6[C@]([C@]7(C(=CC6)C8[C@]([C@@H](C[C@@](C8)(C)C)O)(CC7)C)C)(CC5)C)(CC4)C)(CO)C CPD-13255 C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(\C)/C=C/C=O CPD-13373 CCCCCC1C(O1)CC2C(O2)CCCCCCCC(=O)[O-] CPD-13088 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O)O)O CPD-13121 CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC[C@@H]1C(=C)CC[C@@H](C1(C)C)O)/C)/C)C CPD-13286 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)Oc3ccc(cc3)N(=O)=O)CO)CO)O)O CPD-13225 C1=C(C(=O)C=C(C1=O)Cl)[O-] CPD-13247 C(CO)N(CCO)CCO.Cl CPD0-2430 COc1cc(ccc1O)CCC(=O)/C=C(/C=C/c2ccc(c(c2)OC)O)\O CPD-13314 C[C@]12CC[C@](C[C@H]1[C@@]3(CCC4=C([C@]3(CC2)C)CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)(C)C(=O)[O-] CPD-13275 C[C@H]([C@H](C1[C@@H]([C@H](C[C@](O1)(C(=O)[O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O)NC(=O)C)NC(=O)C)O CPD-13167 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)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)[NH2+]C1 CPD-13081 Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)[NH3+])C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCC[S+](C)C)O CPD-13136 C[C@H]1C([C@@H]2[C@@H](O2)C3=CC(=O)[C@@]4(C[C@]13C)[C@@](O4)(C)C=O)OC(=O)C CPD-13303 C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O)O)O)O CPD-13215 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=O)/C)/C CPD-13368 c1cc(ccc1N(=O)=O)O[C@H]2[C@@H]([C@H]([C@@H](O2)CO)O)O CPD-13294 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H](CO3)[NH3+])O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O CPD-13350 CC1=CC[C@H](CC1)[C@@](C)(CCC=C(C)C)O CPD-13270 C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC[NH3+])CC[NH3+])CC(C)C)CC(C)C)CC[NH3+])NC(=O)[C@H](CC[NH3+])NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC[NH3+])NC(=O)CCCCC(C)C)O CPD-13158 C[C@H]1[C@@H]2[C@@H](C(=O)[C@]3([C@H]([C@]2(C=CC1=O)C)CC[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)[O-])OC(=O)C)C)C)OC(=O)C CPD-13284 CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)[NH3+])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-] CPD-13181 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]2O)O)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]([C@H]5O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)CO)CO)O)O)O)O CPD-13238 CCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CCCCCCCCCCCCC)O CPD66-41 c1c(c2c(ncnc2n1[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N)C#N CPD-13100 c1c(c2c(ncnc2n1[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(CC(=O)[O-])C(=O)[O-])C#N CPD-13099 CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC CPD66-35 CC(=CCC/C(=C/C=C/C(=O)C)/C)C CPD-13371 CCCCCC(C(C/C=C\CCCCCCCC(=O)[O-])O)O CPD-13086 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O CPD-13242 C1C(=CC(=O)[C@H](C1=O)O)C(=O)[O-] CPD-13085 [Na+].[Cl-] CPD0-2422 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O CPD-13292 C=CC(C(=O)[O-])[NH3+] CPD-13343 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)O)CO)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-13188 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)NC(=O)C)O)NC(=O)C CPD-13165 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)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)NC(=O)C)O CPD-13227 c1c(c2c(=O)[nH]c(nc2n1[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N)C#N CPD-13095 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[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 CPD-13212 CC(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] CPD-13266 CC(=CCC/C(=C\1/CC[C@]2(C1CC[C@@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)/C)C CPD-13283 C[C@@H]1CCC=C2[C@@]1(C[C@@H](CC2)C(=C)C)C CPD-13271 CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C)O CPD66-27 CCC(=O)CO CPD0-2414 C/C=C\CO CPD-13230 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4cc(c(cc4O)O)OC)O CPD-13328 CCCC/C=C/C(=O)C CPD-13321 C(CCCCCCCCCCC(=O)[O-])CCCCCCCCCC(=O)[O-] CPD-13101 c1c(c2c(=O)[nH]cnc2n1[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)C#N CPD-13097 C1C([C@@H](C(C(O1)OC[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]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]([C@H]5O)O)O)CO)COC6C([C@H](C(CO6)O)O)O)COC7C([C@H](C(CO7)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O)O)O)O CPD-13377 C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O CPD-13179 C[C@]1([C@H]([C@H]([C@]2(C(C1)C3=CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(CC[C@@H]([C@@]5(CO)C)O)C)C)C)O)O)C CPD-13251 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC CPD66-34 CC(=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 CPD-13149 C1C([C@@H](C(C(O1)OC[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]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]([C@H]5O)O)O)CO)COC6C([C@H](C(CO6)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)COC8C([C@H](C(CO8)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)O)O)O)O)O CPD-13378 C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)NC(=O)C)O)[NH3+] CPD-13163 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O)O CPD-13118 CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCCCCCCCCCCCC)O CPD66-40 c1ccc(cc1)Oc2cccc(c2)CO CPD-13113 C([C@@H](C(=O)[O-])NO)C(=O)[O-] CPD-13364 CCCCCCCCCCCCC/C=C/[C@H]([C@@H](CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)[NH3+])O CPD-13297 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O CPD-13290 C[C@@H]1CC[C@@H]([C@]12CCC(=CC2)C)C(=C)C CPD-13269 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@H]5[C@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C(=O)[O-])O)O)O)O)O)O)O CPD-13262 CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34C=O CPD66-25 C1C([C@@H](C(C(O1)OC[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]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]([C@H]5O)O)O)CO)COC6C([C@H](C(CO6)O)O)O)COC7C([C@H](C(CO7)O)O)O)O)O)O)O)O)O CPD-13375 C[C@H]1C([C@@H]2[C@@H](O2)C3=CC4=NC([C@@]5([C@]4(O5)C[C@]13C)C)O)OC(=O)C CPD-13304 CCC(C(C/C=C\C/C=C\CCCCCCCC(=O)[O-])O)O CPD-13093 CC(C)([C@H](C(=O)[O-])O)O CPD-13357 c1cc2c(cc1O)OC(=Cc3cc(c(c(c3)O)O)O)C2=O CPD-13288 C1=C(C(=O)C=C(C1=O)Cl)Cl CPD-13246 c1cc(ccc1N(=O)=O)O[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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O CPD-13234 C[C@H]([C@H]([C@@H](C(=O)C=O)O)O)O CPD-13130 CCCCC/C=C/C=O CPD-13323 CC(=CCCC(=C)C1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C CPD-13281 CC1([C@@H]([C@@H]1C(=O)OCc2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CPD-13115 c1cc(cc(c1)C(=O)[O-])C(=O)CCC2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O CPD-13324 CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC CPD66-45 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]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)O)O)O)O CPD-13205 C1CC(=O)C(C=C1)(C(=O)[O-])O CPD-13172 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC1C(O1)(C)C)/C)/C)/C)C CPD-13153 C(CC(=O)[O-])C(C(=O)NC(CCC(=O)[O-])C(=O)[O-])[NH3+] CPD-13219 CCn\1c2ccc(cc2s/c1=N\N=C\3/[NH+](c4ccc(cc4S3)S(=O)(=O)[O-])CC)S(=O)(=O)[O-] CPD-13347 c1ccc(cc1)COC(=O)C2(C=CCCC2=O)O CPD-13175 CC(=CCC/C(=C/CCC(=C)[C@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)C)/C)C CPD-13280 CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC CPD-13116 C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O)O)O)O CPD-13216 C(C1[C@@H]([C@H]([C@@H](O1)OCC2[C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O CPD-13295 c1cc(ccc1CCOC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O CPD-13354 CC[C@@](C(=O)O[C@@H]1[C@H]2C(=C[C@@H](C1)C)C=C[C@@H]([C@@H]2CC[C@H]3OC(=O)C[C@@H](C3)O)C)(C)C CPD66-17 C[C@@H](CCC=C(C)C)C1CC[C@]2([C@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C CPD-13276 C(CO)[NH+](CCO)CCO CPD0-2459 CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)O CPD-13141 c1cc2c(cc1c3coc4cc(cc(c4c3=O)O)[O-])OCO2 CPD-13105 O[Te](=O)O CPD0-2380 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(=O)C4)C CPD66-29 CC/C=C/CO CPD-13229 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)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)Oc4ccc(cc4)N(=O)=O)CO)CO)CO)O)O CPD-13226 CCC(=O)/C=C/C CPD-13222 Cc1c(=O)c(c(oc1[C@H]2CC/C(=C/C(=C/c3ccc(cc3)N(=O)=O)/C)/O2)OC)C CPD-13144 C[C@H]([C@H](C1[C@@H]([C@H](C[C@](O1)(C(=O)[O-])O)O)NC(=O)C)NC(=O)C)O CPD-13166 C(CO/C=C/[C@@H](C(=O)[O-])[NH3+])[NH3+] CPD-13353 C(=C/C(=O)[O-])\C=C(\C(=O)[O-])/O CPD-13339 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)CO)O)O CPD-13161 C(=O)N[c-]1c([nH+]c(nc1=O)N)N CPD-13317 c1cc[nH]c1 CPD-13300 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=O)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=O)\C)\C CPD-13150 C([C@H]([C@H]([C@@H](C(=O)C=O)O)O)O)O CPD-13129 C[C@@H](CCC=C(C)C)C1=C2CC[C@@H]3[C@]4(CC[C@@H](C([C@@H]4CC[C@]3([C@@]2(CC1)C)C)(C)C)O)C CPD-13278 c1cc(ccc1N(=O)=O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O CPD-13210 C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)[O-])O)O)C)O)O CPD-13256 CCCCCCCCCCCCCCCC(=O)NC(COP(=O)([O-])OCC[N+](C)(C)C)C(/C=C/CCCCCCCCCCCCC)O CPD66-42 C(CCCCCCCCCCC(=O)[O-])CCCCCCCCCC=O CPD-13098 CC(CCCC(C(C/C=C\CCCCCCCC(=O)[O-])O)O)O CPD-13087 c1ccc2c(c1)c(c[nH]2)C(=O)[O-] CPD-13135 c1cc([nH]c1C(=O)[O-])O CPD-13148 C/C(=C\C=C\C=O)/C=C/C=O CPD-13370 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]2O)O)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]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)CO)O)O)O)O CPD-13237 c1cc(ccc1N(=O)=O)O[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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O CPD-13232 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)O)CO)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H](C=C(O4)C(=O)[O-])O)O)O)O CPD-13187 C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)NC(=O)C)O)NC(=O)C CPD-13164 C[C@@H]1CC[C@H]([C@]12CCC(=CC2)C)C(=C)C CPD-13268 CCC1C(O1)C/C=C\C/C=C\CCCCCCCC(=O)[O-] CPD-13091 c1cnccc1C(=O)[O-] CPD-13335 C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C(=O)[O-] CPD-13248 C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)OC\2CC3C(C(CC(O3)(CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC(C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C2)C)C(C)CC(C)C(CC(=O)c4ccc(cc4)N)O)O)O)O)O)O)C(=O)[O-])O)[NH3+])O CPD-13108 CC1=CC[C@@H](C([C@@H]1CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)(C)C)O CPD-13285 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)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O)O)O)O)O)O)O CPD-13351 CC/C=C\C/C=C\CC1C(O1)CCCCCCCC(=O)[O-] CPD-13089 C1=C(O[C@H]([C@@H]([C@H]1O)O)O)C(=O)[O-] CPD-13122 CCC(=O)CC CPD-13220 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)O)C)C)C)[NH2+]C1 CPD-13080 COc1cc(ccc1O)CC/C(=C/C(=O)CCc2ccc(c(c2)OC)O)/O CPD-13315 CC/C=C/C=O CPD-13228 Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)[NH3+])C(=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH2+])N)O CPD-13137 C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O CPD-13293 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC(C(=O)[O-])[NH3+])C(=O)[O-])C(=O)[O-])NC(=O)C(C)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)CO)O)O)NC(=O)C)CO)O)NC(=O)C CPD-13360 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=O)C)/C CPD-13369 C1C=C[NH+]=C1 CPD-13302 Cn1cnc2c1c(ncn2)N CPD-13320 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC(C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C(C)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)CO)O)O)NC(=O)C)CO)O)NC(=O)C CPD-13359 CC1=C(C(=O)CC(O1)OC2[C@]3(C(C4=CCC5[C@]([C@@]4(CC3)C)(CCC6[C@@]5(CCC([C@@]6(CO)C)O)C)C)C[C@@](C2)(C)C)C)[O-] CPD-13250 C1C([C@@H](C(C(O1)OC[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]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]([C@H]5O)O)O)CO)COC6C([C@H](C(CO6)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)COC8C([C@H](C(CO8)O)O)O)O)O)O)O)O)O CPD-13376 CC(=CCC/C(=C/COP(=O)([O-])[O-])/C)C CPD-13243 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)N)O CPD-13109 C1C(=O)C(=O)[C@@H]([C@H](O1)CO)O CPD-13131 C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)NC(=O)C)O CPD-13162 CC1([C@H]([C@@H]1C(=O)OCc2cccc(c2)Oc3ccccc3)C=C(Cl)Cl)C CPD-13112 CCC(=O)C=C CPD-13218 C[C@H](/C=C/[C@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C CPD-13084 C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C CPD-13277 Cc1cc2ccccc2[nH]1 CPD-13298 C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C CPD-13107 C(/C=C/C(=O)[O-])C(=O)C(=O)[O-] CPD-13337 c1cc(ccc1N(=O)=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-13211 CC/C=C\C/C=C\CC(C(CCCCCCCC(=O)[O-])O)O CPD-13094 CSC#N CPD-13128 CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(=O)C4)C)C CPD66-28 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O CPD-13291 c1cc(ccc1N(=O)=O)O[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)O)O)O)O CPD-13199 c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)[O-] CPD-13245 CCCC[C@H](C)[C@@H]([C@@H](C[C@H](C)C[C@H](CCCC[C@H](C[C@@H]([C@H](C)[NH3+])O)O)O)O)O CPD-13182 CCC/C=C/C(=O)C CPD-13322 C1=CP(=O)(NC(=O)N1)[O-] CPD0-2458 c1cc(ccc1N(=O)=O)O[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[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O CPD-13233 CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)O CPD66-23 CC1([C@H]([C@@H]1C(=O)[O-])C=C(Cl)Cl)C CPD-13114 CC(C)CC(CC(=O)[O-])[NH3+] CPD-13259 Cc1c(c(c(c(c1Cl)[O-])Cl)OC)C(=O)O[C@@H]2[C@H](O[C@H](C[C@H]2O)O[C@@H]3[C@H](OC4(C[C@@H]3O)O[C@@H]5[C@H](O[C@H](C[C@]5(O4)C)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)C)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)C2C([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C CPD-13154 c1ccc(c(c1)COC(=O)C2(C=CCCC2=O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-13173 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(/C)\C=C\C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-13171 c1cc(ccc1C(=O)[O-])N=O CPD-13143 CCCC(=O)Oc1ccc(cc1)N(=O)=O CPD0-2413 Cn1c2c(c(=O)nc1N)nc[nH]2 CPD-13319 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C CPD-13152 CCCCCCCCCCCCCCCCC(=O)NC1C[C@H]([C@H](NO[C@@H]2[C@H]([C@H](CN2C(=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](Cc4ccc(cc4)O)O)O)[C@@H](C)O)C)O)O)O CPD-13365 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)OC(=O)CCCCCCCCCCCCCCC CPD66-46 C[C@]1(CC2[C@]([C@@H](C1)O)(CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CCC([C@@]5(CO)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O[C@@H]7O[C@@H]([C@@H]([C@@H]([C@H]7O)O)O)CO)O)O)C(=O)[O-])C)C)C)C)C CPD-13254 CC12CCC3C(C1CCC2=O)CCC4=CC(=O)CCC34CO CPD66-26 CC(C)CC(CC(=O)[O-])NC(=O)CC(C)[NH3+] CPD-13261 c1cc(ccc1N(=O)=O)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O CPD-13214 CCCC(=O)CC CPD-13223 C[C@H](CCC=C(C)C)C1CC[C@]2([C@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C CPD-13279 CC/C=C\CC(C(C/C=C\CCCCCCCC(=O)[O-])O)O CPD-13092 C[Te](=O)([O-])[O-] CPD0-2381 COCC(=O)[O-] CPD-12993 C(=C(\C=C(/C(=O)[O-])\O)/C(=O)[O-])\C(=O)[O-] CPD-12849 c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N CPD-13052 C[C@H](CCC=C(C)C)C1CC[C@@]2([C@@]1(CCC34C2CC[C@@H]5C3(C4)CC[C@@H]([C@@]5(C)CO)O)C)C CPD-12916 CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H]([C@H]([NH2+]4)C(=O)[O-])C)CCC(=O)[O-])/CC3=O)C)CC5C(=C(C(=O)N5)C)C=C)C CPD-13067 Cc1cc(c(c(c1)O)C2=C(C(=O)c3c(cccc3O)C2=O)C(=O)[O-])C=O CPD-12957 C(C(O)P(=O)(O)[O-])OP(=O)([O-])[O-] CPD-12969 CC[C@H](C)[C@H]1C(=O)O[C@@H]2N1C3=C(c4c2cc(cc4O)C)C(=O)c5cccc(c5C3=O)O CPD-12938 C[C@H]1CC[C@@H]([C@@H]2[C@]1(CCC(=C2)C)O)C(C)C CPD-12879 CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)[O-] CPD-12955 C[C@H](CCC(=C)C(C)C)C1CC[C@@]2([C@@]1(CCC34C2CCC5C3(C4)CC[C@@H]([C@@]5(C)C=O)O)C)C CPD-12866 C[C@@H](C(=O)CC(=O)C(=O)[O-])O CPD-13044 C[C@H](CCC(=C)C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4C(=O)[O-])O)C)C CPD-12909 C[C@@H]1[C@H](CC[C@]2(C1CC=C3C2CC[C@]4(C3CCC4[C@H](C)CCC=C(C)C)C)C)O CPD-12860 C(C([NH3+])P(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-12971 c1ccc2c(c1)c(c[nH]2)C/C=N\O CPD-13028 CC1CCC2=C(CCC(CC12)C(=C)C)C CPD-12888 c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O CPD-13054 C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O CPD-12964 CC(CCC=C(C)C)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12896 c1ccc2c(c1)c(=O)cc([nH]2)O CPD-12842 C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4C(=O)[O-])O)C)C)\C(C)C CPD-12914 C([C@@H]([C@H](C(=O)[C@@H](CO)O)O)O)O CPD-13036 C[C@@H]([C@H](CCC=O)O)O CPD-12959 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)([O-])[O-])N CPD-13025 C(=O)[C@@H]([C@H](C(=O)[O-])O)O CPD-13061 C1=C[C@H]([C@@H](C(=C1)C(=O)[O-])[NH3+])O CPD-12987 CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC CPD-13014 *C(=O)N[C@@H](CO[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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O CPD-13063 c1cc(ccc1O)Oc2c(cc(cc2I)CC[NH3+])I CPD-13019 C[C@@]1(CC(=O)[C@@]2(C3=C(C=C[C@@]2(C1)O)C(=O)c4c(cccc4O)C3=O)O)O CPD-12947 C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O CPD-12923 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)O)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)[NH+](C)C)O)(C)O[C@H]4C[C@H](C([C@@H](O4)C)O)[NH+](C)C)C)C)O)(C)O CPD-12966 c1ccc(cc1)C/C(=N\OS(=O)(=O)[O-])/[S-] CPD-13006 C[C@@H]1CC[C@H](C=C2[C@@H]1CCC2C)C(=C)C CPD-12892 c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)[nH]c(nc2=O)N)C(=[NH2+])N CPD-13057 C[C@H](CCC(=C)C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C CPD-12907 c1ccc2c(c1)c(cc(=O)[nH]2)O CPD-12840 CCc1c2cc(ccc2nc-3c1Cn4c3cc5c(c4=O)COC(=O)[C@@]5(CC)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O CPD0-2376 C[C@H](CCC=C(C)C)C1CC[C@@]2([C@@]1(CCC34C2CC[C@@H]5C3(C4)CC[C@@H]([C@@]5(C)C(=O)[O-])O)C)C CPD-12919 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC[NH3+] CPD-13023 CCCCC(=O)CC(=O)C CPD-12976 CCCCCCCC1=CC(c2ccccc2N1)O CPD-12837 C1=C[C@H]([C@H](C(=C1)/C=C/C(=O)[O-])O)O CPD-13034 c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])N2C[C@H]3CNc4c(c(=O)nc([nH]4)N)N3C2 CPD-12998 c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])NC[C@H]2CNc3c(c(=O)nc([nH]3)N)N2 CPD-12994 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@H]([C@@H]([C@H]([C@@H]([C@@H]3O)O)O)O)O)O)O CPD-12855 C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4C=O)O)C)C)\C(C)C CPD-12912 CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)C[C@@H]([NH3+])c6ccccc6)O)(C)C CPD-12845 c1cc(c(cc1CC[NH3+])I)Oc2cc(c(c(c2)I)O)I CPD-13022 CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H]([C@H](N4)C(=O)[O-])C)CCC(=O)[O-])/C(=O)C3=O)C)CC5C(=C(C(=O)N5)C)C=C)C CPD-13068 c1c(c2c(ncnc2n1[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N CPD-13056 CCC1=CC2CC(c3c(c4ccccc4[nH]3)CC[NH+](C2)C1)(c5cc6c(cc5OC)N([C@H]7[C@@]68CC[N@H+]9[C@@H]8[C@@](C=CC9)([C@@H]([C@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC CPD-13001 *c1ccc(c2c1c3c(cc2OC)c4c(cc(cc4OC)C=C)c(=O)o3)O CPD-12943 CC[C@]1(C[C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4O)C3=O)[C@H]1C(=O)OC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)[NH+](C)C)O CPD-12960 CC(=CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C CPD-12897 CCCCCCCc1c(c(=O)c2ccccc2[nH]1)O CPD-12838 c1c(nc(c(n1)O)O)O CPD-12925 [C@H]1([C@H]([C@H]([C@H]([C@@H]([C@H]1O)O)OP(=O)([O-])O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2O)O)O)O)O)O)O)O CPD-12857 CC1=CC(=O)[C@@H]2c3cc4cccc(c4c(c3C(=O)C[C@@]2(C1)O)O)O CPD-12950 C[C@H](CCC=C(C)C)CC=O CPD-12885 CC(=O)O[C@@H]1c2[c-](c3c(c2[C@@H]([C@H]([C@]1(C)O)OC(=O)C)O)C(=O)c4cccc(c4C3=O)O)C#N CPD-12945 c1c(c2c([nH]1)nc([nH]c2=O)N)C(=O)[O-] CPD-13043 C[C@H]1[C@@H]2CCC3[C@@]4(CCC([C@]4(CCC35C2(C5)CC[C@@H]1O)C)[C@H](C)CCC=C(C)C)C CPD-12850 c1cc(c(cc1CC[NH3+])I)Oc2ccc(c(c2)I)O CPD-13017 C[C@]1(C[C@H]2[C@]3([C@@]([C@@H]4[C@]([C@H]5C(=CC4)[C@@]([C@H](CC5)O)(C)C)(CC3)C)(CC[C@]2(CC1)C)C)C)C CPD-13048 C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CCC4[C@H](C)CCC=C(C)C)C)C)C)O CPD-12852 C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C CPD-12917 C[n+]1c2ccccc2nc3c1cccc3O CPD-12847 c1cc(ccc1C(C#N)O)O CPD-12889 c1cc(ccc1CC[NH3+])Oc2cc(c(c(c2)I)O)I CPD-13020 C[C@H](CC[C@H](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 CPD-13032 C1C=CC2=NC3=C(C=CC[C@H]3C(=O)[O-])NC2[C@@H]1C(=O)[O-] CPD-12990 C[C@H]1CC[C@@H]([C@@H]2C1=CCC(=C2)C)C(C)C CPD-12880 CCCCCCC/C=C/C=O CPD-13003 C[C@H](CCC(=C)C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CCC(=O)C4)C)C CPD-12910 c1ccc2c(c1)nc3ccccc3n2 CPD-12873 CC(=CCC/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=O)/C)/C)/C)C CPD-12936 c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])N2C[C@H]3CNc4c(c(=O)nc([nH]4)N)N3C2 CPD-12996 CC(=CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C CPD-12902 c1cc(ccc1Nc2cc(c(c(c2)Cl)[O-])Cl)O CPD-13079 C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4C=O)O)C)C CPD-12927 C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CCC(=O)C4)C)C CPD-12929 *C(=O)N[C@@H](CO[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[C@H]3[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)NC(=O)C)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O CPD-13064 CC(=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C CPD-12904 CC1=CC(=O)[C@@]2(C3=C([C@@H](C[C@@]2(C1)O)O)C(=O)c4c(cccc4O)C3=O)O CPD-12941 CC(C)CC(C(=O)NC(=C)P(=O)([O-])OC)NC(=O)C[NH3+] CPD-12974 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]2O)O)OC(CO)C(=O)[O-])CO)O)O)O)O CPD-13015 C(CC[NH2+]CCCNC(=O)CNC(=O)C(CSSCC(C(=O)NCC(=O)NCCC[NH2+]CCCC[NH3+])NC(=O)CCC(C(=O)[O-])[NH3+])NC(=O)CCC(C(=O)[O-])[NH3+])C[NH3+] CPD0-2379 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])Oc2ccc(c(c2)I)O CPD-13010 Cc1cc2cc(c3c(c2c(c1)O)C(=O)c4cccc(c4C3=O)O)O CPD-12952 C[n+]1c2ccccc2nc3c1cccc3C(=O)[O-] CPD-12869 C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C CPD-13047 c1cc(=O)oc2c1cc3ccoc3c2O CPD-13041 c1ccc2c(c1)Nc3cccc(c3N2)C(=O)[O-] CPD-12874 C[C@H](CCC=C(C)C)CC(=O)[O-] CPD-12895 C[C@H](CCC(=C)C(C)C)C1CC[C@@]2([C@@]1(CCC34C2CCC5C3(C4)CC[C@@H]([C@@]5(C)C(=O)[O-])O)C)C CPD-12867 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]2O)O)OC(COP(=O)([O-])[O-])C(=O)[O-])CO)O)O)O)O CPD-13013 COc1ccc(c(c1)O)/C=C/c2ccc(cc2)O CPD-12871 c1ccc2c(c1)NC3[C@@H](CC=CC3=N2)C(=O)[O-] CPD-12988 C[C@H](CCC(=C)C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4C=O)O)C)C CPD-12908 C[C@H]1[C@@H]2CCC3[C@@]4(CCC([C@]4(CCC35C2(C5)CCC1=O)C)[C@H](C)CCC=C(C)C)C CPD-12920 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])N(O)O CPD-13027 C[C@H]1C2CCC3[C@@]4(CCC([C@]4(CCC35C2(C5)CCC1=O)C)[C@H](C)CCC(=C)C(C)C)C CPD-12868 c1c(c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)[nH]c(nc2=O)N)C(=O)[O-] CPD-13055 C(C(C(=O)[O-])[NH3+])C(=O)[O-] CPD-12992 CC(C)CC(C(=O)NC(=C)P(=O)(O)[O-])[NH3+] CPD-12972 C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CCC(=O)C4)C)C)\C(C)C CPD-12915 C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2COC([C@@H]([C@H]2O)O)O)O)O)O CPD-13037 CN1c2ccccc2Nc3c1cccc3O CPD-12848 COc1cccc2c1C(=O)C3=C(C2=O)c4c(cc(cc4O)CO)[C@H]([C@@H]3O)O CPD-12948 c1ccc(cc1)C[C@@H](C(=O)[O-])NO CPD-13029 CC(=CCC/C(=C/CC/C(=C/CCC(=O)C)/C)/C)C CPD-12898 c1cc(ccc1CC[NH3+])Oc2ccc(c(c2)I)O CPD-13016 CC(=CCC/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=C(C)C)/C)/C)/C)C CPD-12932 C[C@]1(Cc2cc(=O)c3c([c@-]2C(=O)C1)cc4cccc(c4c3O)O)O CPD-12956 C(C(O)P(=O)(O)[O-])O CPD-12968 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 CPD-12963 C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)C3=C(CC[C@H]13)C CPD-12891 C[C@@H]1CC[C@H]2[C@]13CC[C@H](C3)C(=C)C2(C)C CPD-13069 C=C[C@H]1C(OC=C2[C@]1(CCOC2=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-13045 C[C@H](CCC(=C)C(C)C)C1CC[C@@]2([C@@]1(CCC34C2CCC5C3(C4)CC[C@@H]([C@@]5(C)CO)O)C)C CPD-12865 *Oc1cccc2c1C(=O)C3=C(C2=O)c4c(cc(cc4O)C)C[C@H]3O CPD-12946 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(=O)C)C)O[C@@H]3[C@H]([C@@H](C[C@@H](O3)C)[NH+](C)C)O)(C)O[C@H]4C[C@H]([C@H]([C@@H](O4)C)O)[NH+](C)C)C)C)O)(C)O CPD-12967 CCCCCCCC1=C(C(c2ccccc2N1)O)O CPD-12839 c1ccc(c(c1)C(=O)OC2[C@H]([C@@H]([C@H](C(O2)CO)O)O)O)N CPD-12835 CN1=CNc2c1c(=O)[nH]c(n2)N CPD0-2377 c1ccc2c(c1)C(=CC(N2)O)O CPD-12841 CC(=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C CPD-12906 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OCC4C5=C(C6C(O4)Nc7c(c(=O)[nH]c(n7)N)N6)S[Mo](=O)(=O)S5)O)O)N CPD-13035 C(C(=O)P(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-12970 C[C@H](CCC=C(C)C)CCO CPD-12877 CC[C@H](C)[C@H]1C(=O)O[C@@H]2N1C3=C(c4c2cc(cc4O)C)C(=O)c5cccc(c5C3=O)O[C@H]6C[C@H]([C@H]([C@@H](O6)C)O)O CPD-12934 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])NO CPD-13026 C(C(=O)[O-])[NH2+]C(CO)(CO)CO CPD0-2399 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O)C(=O)[O-])OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD-12903 C[C@@H](CCC=C(C)C)CC(=O)[O-] CPD-12894 CCC(=O)CC(=O)CC CPD-12975 [C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1O)O)OP(=O)([O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H]([C@H]2O)OP(=O)([O-])[O-])O)O)O)O)O)O CPD-12856 C([C@@H]([C@@H](C(=O)[O-])[NH3+])O)O CPD0-2375 [C@@H]1([C@@H]([C@H](C2C([C@@H]1O)O2)O)O)O CPD-12924 c1cc(ccc1O)Oc2ccc(cc2I)C[C@@H](C(=O)[O-])[NH3+] CPD-13009 CC(=CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O)C CPD-12905 C[C@@H]([C@@H]([C@H](CC=O)OC)O)O CPD-12961 *c1ccc2c(c1O)C(C34C(CC5(CC(=CC(=O)C5(C3(C2=O)O4)O)C)O)O)O CPD-12944 COc1c2c(ccc(=O)o2)cc3c1occ3 CPD-13042 C[C@@H]1CC(C=C([C@]12CC[C@H](C2)C(=C)C)C)O CPD-12884 Cc1cc2cc(c3c(c2c(c1)O)c(c4cccc(c4c3O)O)O)O CPD-12951 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=O)/C)/C CPD-12935 C[C@@H](C(=O)N[C@@H](CCC(=O)NCCCC[C@@H](C(=O)[O-])[NH3+])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C CPD-13018 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(=O)[O-])/C)/C CPD-12930 Cn1cc(c2c1nc([nH]c2=O)N)C[NH3+] CPD0-2400 C[C@H](CCC=C(C)C)C1CC[C@@]2([C@@]1(CCC34C2CC[C@@H]5C3(C4)CC[C@@H]([C@@]5(C)C=O)O)C)C CPD-12918 C([C@@H]1[C@@H]2[C@H](C(O1)OP(=O)(O2)[O-])O)O CPD-13024 c1c2c(cc(c1F)N3CC[NH2+]CC3)n(cc(c2=O)C(=O)[O-])C4CC4 CPD-12843 C[C@]1(C[C@H]2[C@]3([C@@](C4=C([C@@]5([C@H]([C@@]([C@H](CC5)O)(C)C)CC4)C)CC3)(CC[C@]2(CC1)C)C)C)C CPD-13050 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])Oc2cc(c(c(c2)I)O)I CPD-13008 C([C@@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O)O CPD-13059 CC(=O)C1CCCCC1=O CPD-12977 c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])NC[C@H]2CNc3c(c(=O)nc([nH]3)N)N2 CPD-12995 C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C)\C(C)C CPD-12911 CCCCCCCc1cc(=O)c2ccccc2[nH]1 CPD-12836 c1[nH]c2c(n1)ncnc2Cl CPD0-2383 C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@H]4C(=O)[O-])O)C)C CPD-12928 CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)N[C@@H](CC(C)C)C(=O)[O-])NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC([NH3+])N)NC(=O)[C@H](CC(=O)[O-])[NH3+] CPD-13004 c1cc(c(cc1Oc2c(cc(cc2I)CC[NH3+])I)I)O CPD-13021 C[C@@]1(CC(=O)[C@@H]2c3cc4cccc(c4c(c3C(=O)C[C@@]2(C1)O)O)O)O CPD-12949 CC(C)CC(C(=O)NC(=C)P(=O)([O-])[O-])NC(=O)C[NH3+] CPD-12973 CC1=CC(=O)[C@@]2(C3=C(CC[C@@]2(C1)O)C(=O)c4c(cccc4O)C3=O)O CPD-12940 C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O CPD-12953 C[C@]1(C[C@H]2[C@]3([C@@](C4=CC[C@@H]5[C@@]([C@H]4CC3)(CC[C@@H]([C@]5(C)C)O)C)(CC[C@]2(CC1)C)C)C)C CPD-13049 C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4(C3=CCC4[C@H](C)CCC=C(C)C)C)C)O CPD-12853 C1[C@@]([C@H]([C@@H](O1)O)O)(CO)O CPD-13046 CC(=CCC/C(=C/CCC(=O)C)/C)C CPD-12901 CC1=CCC2C(CCCC2(C1CO)C)(C)C CPD-12875 CCCC(=O)OCC(CO)OC(=O)CCC CPD-13040 c1c(c2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)CN[C@H]4C=C[C@@H]([C@@H]4O)O CPD-13053 CC/C=C\CCOC(=O)C CPD-12846 c1ccc(cc1)C/N=C/O CPD-13031 c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])N2C[C@H]3CNc4c(c(=O)nc([nH]4)N)N3C2 CPD-12997 CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C CPD-12881 c1cc(c2c(c1)nc3c(cccc3n2)C(=O)[O-])C(=O)[O-] CPD-12872 c1ccc(cc1)C[C@@H](C(=O)[O-])N(O)O CPD-13030 Cc1c(c(=O)c2c(c1=O)cc(c3c2c(=O)c4cccc(c4c3=O)O)O)[O-] CPD-12942 CC(=CCC/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(=O)[O-])/C)/C)/C)C CPD-12937 C(=C/C(=O)C(=O)[O-])\C=C/C(=O)[O-] CPD-12715 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCC CPD-12817 C([C@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)F CPD-12707 C[C@]1(C2[C@@](C3[C@](O[C@@](CC3)(C=C)C)(CC2)C)(CCC1)C)C CPD-12751 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@H](CCl)O)O CPD-12679 C[C@H]1CCC2=CCC([C@@]2(CC3=C(CCC13)C)C)C(C)C CPD-12805 CCCCC/C=C\C/C=C\CC#CCCCCC(=O)[O-] CPD-12652 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CCCl)C(=O)[O-])O CPD-12675 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC(CO)CO)O)O CPD-12670 [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] CPD-12738 c1ccc(cc1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-12630 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CC1C(O1)CCCCC CPD-12644 c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4ccc(c(c4)Nc5nc(nc(n5)Cl)Nc6cccc(c6)S(=O)(=O)[O-])S(=O)(=O)[O-] CPD-12794 c1cc(c(cc1O)C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-12663 O=[Mn]=O CPD-12610 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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)O)O)O CPD-12768 c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NCc2cnc3c(n2)c(=O)[nH]c(n3)N CPD-12826 c1ccc2c(c1)c(c[nH]2)CCCC(=O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-12621 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[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[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O[C@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)C(=O)[O-])O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12780 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\CC(C)(C)OC)\C)\C)/CCCC(C)(C)O CPD-12613 CC[C@@](C)(C#N)O CPD-12699 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12646 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CSC[C@@H](C(=O)[O-])NC(=O)C)/C)/C)/C)C CPD-12753 c1cc(c(c(c1)Cl)N)c2c[nH]cc2Cl CPD-12775 C1CC=C[C@H](C1)CC(=O)C(=O)[O-] CPD-12683 C([C@@H]1[C@H]([C@H](C(O1)OP(=O)([O-])[O-])O)O)Cl CPD-12677 c1cc(c(cc1[N+](=O)[O-])C(=O)[O-])O CPD-12696 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC CPD-12818 C([C@H]([C@H]([C@H](C(=O)[O-])O)O)O)Cl CPD-12673 C([C@H]([C@H]([C@H]([C@@H](CO)O)O)O)O)O CPD-12811 CC(C)CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12705 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)(COS(=O)(=O)N)F)O)O)N CPD-12712 [O-]Cl CPD-12800 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)O)O)O)O)O)O)O)O)O CPD-12786 C(CC[NH3+])CC=O CPD-12763 COc1cccc(c1O)OC CPD-12797 c1cc(c(c(c1)O)O)C2CC(=O)c3cc(cc(c3O2)O)O CPD-12650 c1cc(c(c(c1)Cl)O)NO CPD-12618 CCCCC/C=C\C/C=C\CCCC/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12648 C/C=C/C=C/C=C/CCCCCCCCc1cc(cc(c1O)O)C(CCCCCCCc2cccc(c2O)O)/C=C/C=C/C=C/C CPD-12632 CC1=C(C(c2ccccc2C1O)O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C CPD-12831 CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC[C@@H](O)COP(=O)(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)[O-])[O-] CPD-12824 C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O CPD-12789 CCCCCCCCC(C)O CPD-12749 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD-12773 c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O CPD-12724 Cc1c(c(c(cc1O)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)/CC/C=C(\C)/CCC=C(C)C)O)C CPD-12829 C1C[C@](C=C[C@@H]1O)(CC(=O)C(=O)[O-])C(=O)[O-] CPD-12681 C([C@H]([C@@H](C(=O)[O-])[NH3+])O)F CPD-12710 C(CC(CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1[NH+]=C2NC(C(N2)C(=O)[O-])C(C[NH3+])O)CO)OC(=O)N)O)[NH3+])C[NH3+] CPD-12719 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\C(=O)C(C)(C)OC)\C)\C)/C=C/CC(C)(C)OC CPD-12616 CCCCCCCCCCCC(CC(=O)[O-])O CPD-12808 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)c4cc(ccc4O)O)O CPD-12703 C([C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O)O CPD-12810 C(CCCCF)CCC/C=C\CCCCCCCC(=O)[O-] CPD-12714 C([C@@H](CS(=O)(=O)[O-])O)O CPD-12693 CC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O CPD-12685 OCl CPD-12799 C[C@]12[C@H](C(=O)N[C@]1(C(=O)O2)[C@H]([C@H]3CCCC=C3)O)CCCl CPD-12674 C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OC[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)O[C@H]3[C@@H]([C@H](O[C@@H]([C@H]3O)O)CO)O)O)O)O)O)O)O CPD-12790 C/C(=C\C=O)/C=C/C=C(\C)/C=O CPD-12762 c1ccc2c(c1)c(c[nH]2)C(C#N)SCC(C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12635 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)O)O)O CPD-12726 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)O)O CPD-12771 C(CP(=O)(O)O)C(C(=O)O)N CPD-12608 CCCCCC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O CPD-12690 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCC CPD-12822 c1cc(c(c(c1)Cl)N(=O)=O)c2c[nH]cc2Cl CPD-12776 c1c(c(=O)[nH]c(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F CPD0-2367 c1cc(c(cc1c2cc(=O)c3c(o2)cc(c(c3O)C4C(C(C(C(O4)CO)O)O)O)[O-])O)O CPD-12657 C(CC(=O)NC(CSCC(=O)[O-])C(=O)NCC(=O)[O-])C(C(=O)[O-])[NH3+] CPD0-2370 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\CC(C)(C)OC)\C)\C)/C=C/CC(C)(C)O CPD-12614 c1cc(c(cc1C(=O)CC(=O)c2c(cc(cc2O)[O-])O)O)O CPD-12655 C(C1[C@H]([C@H](C(=O)O1)O)O)Cl CPD-12672 c1cc(c(cc1[N+](=O)[O-])C(=O)[O-])N CPD-12695 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCC CPD-12815 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@H]5[C@H]([C@H]([C@H]6[C@H](O5)COC(O6)(C)C(=O)[O-])O)O)O)O)O)O)O CPD-12783 c1ccc(cc1)[C@@H](C#N)O CPD-12701 Cc1cc(cc(c1N)C)c2cc(c(c(c2)C)N)C CPD-12812 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CF)O CPD-12716 COc1c(cc2c(c1O)c(=O)cc(o2)c3ccccc3)O CPD-12734 CC(C)(c1ccccc1)O CPD-12643 O[P-](=O)[O-] CPD-12755 CCC(CC(=O)[O-])O CPD-12765 COc1c(cc(c2c1oc(cc2=O)c3ccccc3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O CPD-12728 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](COP(=O)([O-])[O-])O)OC(=O)CCCCCCCCCCCCCCCCC CPD-12820 C([C@H](CS(=O)(=O)[O-])O)O CPD-12692 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O CPD-12784 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[C@@H]1[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)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)O)O)O)O)O)O)O)O)O CPD-12788 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CS(=O)(=O)[O-])O CPD-12645 c1ccc(c(c1)C(=O)N)O SALICYLAMIDE CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-] CPD-12653 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O CPD-12781 C([C@H]([C@@H](CO)O)O)O CPD-12825 C1=CC(=C([C@H]([C@H]1O)O)C(=O)[O-])C(=O)[O-] CIS-34-DIHYDROXYCYCLOHEXA-162-DIENE- CC/C=C/C=C/C=C\CCCCCCCc1c(ccc(c1O)O)C(C)/C=C/C=C/C=C\CCCCCCCc2cccc(c2O)O CPD-12622 C(CC(CC(=O)NCCCC(CC(=O)NCCCC(CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1[NH+]=C2NC(C(N2)C(=O)[O-])C(C[NH3+])O)CO)OC(=O)N)O)[NH3+])[NH3+])[NH3+])C[NH3+] CPD-12721 C(C=O)F CPD-12708 c1cc(c(c(c1)Cl)N)c2cc[nH]c2 CPD-12774 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CCl)O)O)N CPD-12676 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCCCCCCCCCCCC CPD-12816 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O CPD-12769 C[C@@H]1[C@@H](C(C2=C(CC(C2(/C=C/3\C1CCC3COC)C)O)C(C)COC(=O)C)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)O CPD-12803 [C@@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] CPD-12739 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O CPD-12772 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC CPD-12819 c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-] CPD-12795 CC(=CCC/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/CC(C)(C)O)/C)/C)/C)C CPD-12611 C/C=C\C/C=C/C=C\CCCCCCCc1cccc(c1O)O CPD-12620 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=O)O)O)N CPD-12766 C1=C(C(=C[C@@H]([C@@H]1O)O)C(=O)[O-])C(=O)[O-] CPD-12651 CC(CCO)CCC1[C@@](CCC2[C@@]1(CCC[C@]2(C)C)C)(O)C CPD-12746 CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC1=CC(c2ccccc2C1O)O)/C CPD-12830 c1cc(c(cc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)[O-])O CPD-12665 C(C(C(=O)NCC(=O)[O-])[NH3+])O CPD-12607 CC1=CC[C@H](CC1)C2=CCCC(C2)(C)C CPD-12759 Cc1cc2c(cc1C)n(c-3nc(nc(=O)c3n2)O)C[C@H]([C@H]([C@@H]4COP(=O)(O4)[O-])O)O CPD-12658 C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)F CPD-12706 C[C@]1(C2[C@@](C3[C@](O[C@](CC3)(C=C)C)(CC2)C)(CCC1)C)C CPD-12748 c1cc(c(cc1N)C(=O)[O-])O CPD-12711 C1C(C2C(C(=O)N1)NC(=[NH+][C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCCNC(=O)CC(CCCNC(=O)CC(CCC[NH3+])[NH3+])[NH3+])[NH3+])N2)O CPD-12720 CC(C)(COP(=O)([O-])[O-])[C@H](C(=O)[O-])O CPD-12760 CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12647 C1CC=C[C@H](C1)C[C@@H](C(=O)[O-])N CPD-12684 COc1ccc(cc1OC)CO CPD-12798 CCCCCCCC/C=C\CCCCCCCC=O CPD-12667 c1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O CPD-12725 OP(=O)[O-] CPD-12756 CCCCCCC[C@H](CC(=O)[O-])O CPD-12779 c1ccc2c(c1)c(c[nH]2)C(C#N)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12634 CC/C=C\C/C=C\C/C=C\CCCC/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12649 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](COP(=O)([O-])[O-])O)OC(=O)CCCCCCCCCCCCCCC CPD-12821 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@@H]([C@H]([C@@H](O7)C)O)O)O)O)O)O)O)O)O)O)O)O)O)O CPD-12787 C/C(=C\CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O)/C)/C)/CCCC(C)(C)O CPD-12626 [V+5] V+5 c1cc(ccc1C2COc3cc(ccc3C2=O)O)O CPD-12609 C1CC(=CC=C1)CC(=O)C(=O)[O-] CPD-12682 CC(C)CCCCCCCCCCCC(C(CS(=O)(=O)[O-])[NH3+])O CPD-12704 c1ccc(cc1)[C@H]([C@H](C(=O)[O-])[NH3+])O CPD-12741 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C(=O)C(OC)(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/C(=O)C(OC)(C)C)\C)\C CPD-12617 CCOP(=S)(OCC)SCSC(C)(C)C CPD-12806 CCn\1c2ccc(cc2s/c1=N/N=c\3/n(c4ccc(cc4s3)S(=O)(=O)[O-])CC)S(=O)(=O)[O-] CPD-12796 c1ccc(c(c1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O CPD-12629 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)O)O)O)O)O)O)O CPD-12733 C([C@H]([C@H]([C@H](C=O)O)O)O)Cl CPD-12671 C(C(=O)[O-])F CPD-12709 CC(=O)CF CPD-12713 CC[C@](C)(C#N)O CPD-12700 C(C(=O)CS(=O)(=O)[O-])O CPD-12694 c1cc(c(cc1C(=O)CC(=O)c2c(cc(c(c2O)C3C(C(C(C(O3)CO)O)O)O)[O-])O)O)O CPD-12656 C[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O CPD-12686 c1ccc(cc1)[C@@H]([C@H](C(=O)[O-])[NH3+])O CPD-12740 CCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD-12777 c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4ccc(c(c4)Nc5nc(nc(n5)Cl)Nc6cccc(c6)S(=O)(=O)[O-])S(=O)(=O)[O-] CPD-12792 COc1c(cc(c2c1oc(cc2=O)c3ccccc3)O)O CPD-12727 c1ccc(c(c1)C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-12628 CCCCCCCCCCCC(=O)CC(=O)[O-] CPD-12642 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O)O)O CPD-12785 CC(CCC1[C@]2(CCCC(C2CC[C@@]1(C)O)(C)C)C)CCOP(=O)([O-])OP(=O)([O-])[O-] CPD-12745 c1ccc2c(c1)c(c[nH]2)C(C#N)SCC(C(=O)[O-])[NH3+] CPD-12636 CC(=CCC/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/CC(C)(C)OC)/C)/C)/C)C CPD-12612 C[C@@H]1[C@@H](C(C2C(CC(C2(/C=C/3\C1=C(C[C@@H]3O)C(C)C)C)O)C(C)COC(=O)C)OC4C(C(C(C(O4)COC(C)(C)C=C)O)OC(=O)C)O)O CPD-12804 CCC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O CPD-12689 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/CCl)O CPD-12680 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\CC(OC)(C)C)/C)/C)/C)\C)\C)/C=C/CC(OC)(C)C CPD-12615 CC/C=C\C/C=C\C/C=C\CC#CCCCCC(=O)[O-] CPD-12654 c1ccc(cc1)[C@H](C#N)O CPD-12702 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)[O-])OC4[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)C(=O)[O-])O)O)O)O)O CPD-12729 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@H]5[C@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)O)O)O)O)O)O)O)O CPD-12782 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O)OC(=O)CCCCCCCCCCCCCCCCC CPD-12814 C/C(=C\CC/C(=C/C(=O)[O-])/C)/CC[C@@H]1C(O1)(C)C CPD-12750 c1ccc(cc1)CS(=O)CC(C(=O)[O-])[NH3+] CPD-12486 Cn1c2c(c(=O)[nH]c1=O)[nH]c(=O)[nH]2 CPD-12489 [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O CPD-12524 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O CPD-12511 c1cc(c(c(c1)O)O)C(=O)NC(CCCC[NH3+])C(=O)NC(CO)C(=O)[O-] CPD-12582 C(CS(=O)O)NC(=N)NP(=O)([O-])[O-] CPD-12602 C[C@@H](C1CCC2[C@@]1(CCC3C2COC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-12498 C1CC(N(C1=O)C(CCNC(=O)CC(CC(=O)OCC[NH3+])(C(=O)[O-])O)C(=O)[O-])(C(=O)[O-])O CPD-12579 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)[O-])O CPD-12516 C[C@H](CCC(=O)[O-])C1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)O)C)O)O)C CPD-12451 Cc1c[n@@](c(=O)[nH]c1=O)C2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])N=[N+]=[N-] CPD-12546 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)C(=O)N CPD-12503 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)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)OCC4[C@@H]([C@@H]([C@H]([C@H](O4)O)O)O)O)O)O)O)O)O)O CPD-12462 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)[O-])O)O)O CPD-12532 CC(=CCC/C(=C/CC/C(=C/COP(=O)([O-])[O-])/C)/C)C CPD-12587 CC(=CCC/C(=C/CC[C@@](C)(C=C)O)/C)C CPD-12568 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O CPD-12513 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12459 c1cc(cc(c1)SSc2cccc(c2)[N+](=O)[O-])[N+](=O)[O-] CPD-12468 C[C@@H](C1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-12496 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O CPD-12557 C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)O)C(C)C CPD-12493 [C-]#[N+]c1ccc2ccccc2c1 CPD-12599 C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O)OP(=O)([O-])[O-] CPD-12543 Cn1c2c([nH]c1=O)n(c(=O)n(c2=O)C)C CPD-12480 Cn1c2c(n(c1=O)C)n(c(=O)n(c2=O)C)C CPD-12505 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CSCC(C(=O)[O-])[NH3+])/C)/C)/C)C CPD-12591 c1c(c2c([nH]1)C(=O)C(=O)C=C2SCC(C=O)N)CCC=O CPD-12470 CC(C[NH3+])[NH3+] CPD-12574 c1ccc(cc1)/C=S\[O-] CPD-12490 c1ccc(c(c1)c2cccc(c2O)O)N CPD-12476 C1CC(N(C1=O)CCOC(=O)CC(CC(=O)NCCC(C(=O)[O-])[NH3+])(C(=O)[O-])O)(C(=O)[O-])O CPD-12580 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)O[C@]3([C@H]([C@@H]([C@H](O3)CO)OC4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)CO)O)O)OC5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O)O CPD-12463 C1C[N@@](C(=O)NC1=O)C2C[C@@H]([C@H](O2)COP(=O)(NP(=O)([O-])[O-])[O-])O CPD-12520 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C\CCC(=O)[O-])O CPD0-2365 CC(=CCC/C(=C/CC/C(=C/C(=O)[O-])/C)/C)C CPD-12585 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12460 CCOS(=O)(=O)[O-].C[n+]1c2ccccc2nc3c1cccc3 CPD-12472 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O CPD-12541 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)/C)C CPD-12455 C([C@@H](C(=O)[O-])[NH3+])OC(=O)CC(CC(=O)[O-])(C(=O)[O-])O CPD-12576 Cn1c2c([nH]c1=O)n(c(=O)[nH]c2=O)C CPD-12482 Cn1c2c(c(=O)n(c(n2)OC)C)[nH]c1=O CPD-12507 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(CC(=O)[O-])C(=O)[O-])CO)O)O CPD8J2-1 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)[O-])O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O 4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-6S C1C=CC(=O)C(=C1)[O-] CPD-12560 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O)O)O CPD-12512 c1ccc(cc1)CSO CPD-12491 c1cc(c(cc1N)O)O CPD-12469 [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)[O-])O)O CPD-12523 Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 CPD-12479 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O CPD-12514 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C\4/CC=CC=CO4)O CPD0-2363 C(CNC(=O)CC(CC(=O)OCC[NH3+])(C(=O)[O-])O)C(C(=O)[O-])[NH3+] CPD-12578 C(CC(=O)NCCNC(=O)CC(CC(=O)NCC(C(=O)[O-])[NH3+])(C(=O)[O-])O)C(=O)C(=O)[O-] CPD-12590 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CC(=O)[O-])C(=O)[O-])NC(=O)C(CS)[NH3+])O)O)O CPD8J2-3 c1c(=O)[nH]c(=O)n(c1P(=O)(O)[O-])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O CPD0-2358 C[C@@H](C1CCC2[C@@]1(CCC3C2CC(=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)CO)O)O CPD-12500 [C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O)[O-])O)O CPD-12595 C[C@H](CCC(=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 CPD-12450 C[C@H](CCC(=O)NCCS(=O)(=O)[O-])C1CCC2[C@@]1([C@H](CC3C2CCC4[C@@]3(CC[C@H](C4)O)C)O)C CPD-12457 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)O CPD-12538 COc1cc(cc(c1O)O)c2cc(=O)c3c(cc(cc3o2)[O-])O CPD-12571 C([C@@]1([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O)O CPD-12537 C[C@@H](C1CCC2[C@@]1(CCC3C2COC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-12497 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]2C(=O)[O-])O)O)O)CO)O)O CPD-12583 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O CPD-12601 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O CPD-12526 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)OS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O CPD-12563 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC45C=CC=CC4O5)O CPD0-2362 C[C@@H](C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-12495 Cn1c2c([nH]c1=O)[nH]c(=O)n(c2=O)C CPD-12483 C(CS(=O)(=O)[O-])NC(=N)NP(=O)([O-])[O-] CPD-12603 C[C@H](CCC(=O)[O-])C1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CCC(=O)C4)C)O)O)C CPD-12452 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)[O-])OS(=O)(=O)[O-])O)O CPD-12545 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-] CPD-12533 C([C@]1([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O)O CPD-12536 COc1cc(cc(c1OC)OC)c2cc(=O)c3c(cc(cc3o2)[O-])O CPD-12573 c1ccc(c(c1)C(=O)/C=C\C=C(/C(=O)[O-])\O)N CPD-12502 CC(C)c1ccccc1 CPD0-2360 CCCCCCCC[NH2+]CCCCCCCC CPD0-2355 CC(C)C1CCC(=CC1)C=O CPD-12467 c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[O-])O)O CPD-12447 CNC(=O)N(C)C1C(=O)N(C(=O)N1)C CPD-12485 CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)[O-])[NH3+])/C)/C)C CPD-12581 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)COS(=O)(=O)[O-])O)O CPD-12565 Cc1[nH]c2ccc3ccc(cc3c2c(=O)n1)CNc4ccc5c(c4)CN(C5=O)[C@@H](CCC(=O)[O-])C(=O)[O-] CPD-12510 C1C=CC(=O)C=C1O CPD-12561 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)N CPD-12504 CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)[O-])NC(=O)C)/C)/C)C CPD-12592 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CPD-12575 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)OC)O CPD-12454 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12461 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])[O-])/C)/C)/C)C CPD-12594 CCCCCC(=O)c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2)[O-] CPD-12588 Cc1cc2c(cc1C)N3C=N2[Co]456(N7=C8[C@H](C(C7=CC9=N4C(=C(C1=N5[C@@]([C@@H]2N6C(=C8C)[C@@]([C@H]2CC(=O)N)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]2[C@H](O[C@H]3[C@@H]2O)CO)O)C)C)([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]9CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)CCCCCn1cnc2c1ncnc2N CPD0-2347 CC1=CC[C@H](CC1)C(C)C CPD-12466 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCc4ccc(cc4)O)O CPD-12449 c1c(cc(c(c1O)O)O)c2cc(=O)c3c(cc(cc3o2)[O-])O CPD-12570 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)/C)C CPD-12456 C(COC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)[NH3+] CPD-12577 CCCCNC=O CPD-12598 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)OS(=O)(=O)[O-] CPD-12544 C[C@@H](C1CCC2[C@@]1(CCC3C2COC(=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)CO)O)O CPD-12501 [C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)[O-])O)C(=O)[O-])O)O CPD-12518 CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-12492 C1(NC(=O)NC(=O)N1)C(=O)[O-] CPD0-2359 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)CO CPD-12600 c1ccc2c(c1)c3ccccc3[nH]2 CPD-12475 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O CPD-12521 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)OS(=O)(=O)[O-] CPD-12567 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)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)OC4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O)O CPD-12464 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)C/C=C\CC(=O)[O-])O CPD0-2364 CC(=CCC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C CPD-12586 Cn1c2c(nc(n(c2=O)C)OC)n(c1=O)C CPD-12506 C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)OP(=O)([O-])[O-] CPD-12542 c1cc2c(cc1O)occ(c2=O)c3cc(c4c(c3)OCO4)O CPD-12508 Cn1c2c([nH]c(=O)[nH]c2=O)[nH]c1=O CPD-12481 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)[NH3+])O)O)O CPD-12539 COc1cc(cc(c1O)OC)c2cc(=O)c3c(cc(cc3o2)[O-])O CPD-12572 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CC(=O)[O-])C(=O)[O-])[NH3+])O)O)O CPD8J2-2 C#[N+]Cc1ccccc1 CPD-12596 c1cc(oc1)C=O CPD0-2357 c1ccc(cc1)CSS(=O)Cc2ccccc2 CPD-12487 C(C[C@H](C(=O)[O-])NC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)CNC(=O)CC(CC(=O)[O-])(C(=O)[O-])O CPD-12589 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1OS(=O)(=O)[O-])O)C(=O)[O-])O)O CPD-12527 CNC(=O)NC CPD-12484 [C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O CPD-12515 c1c[nH]c2c1cc(c(c2c3cc4cc(c(cc4[nH]3)O)O)O)O CPD-12414 C[C@H]1C(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](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)NC(=O)C)CO)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O[C@@H](C(=O)N[C@H](C(=O)N[C@H](CCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]6[C@H]([C@H](O[C@@H]([C@H]6O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)CO)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)NC(=O)C)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O[C@@H](C(=O)N1)C)NC(=O)C)O)CO)CO)NC(=O)C)C)C)C(=O)N)C(=O)N[C@@H](C)C(=O)[O-])C)CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)N)C)C)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C)C)C)C(=O)N)C(=O)N[C@@H](C)C(=O)[O-])C)CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)N CPD-12230 CSCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12396 c1c2cc([nH]c2cc(c1O)O)c3cc4cc(c(cc4[nH]3)O)O CPD-12408 C[C@@H](CO)C(=O)[O-] CPD-12176 C[NH+]1CC(C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)[O-] CPD-12364 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12307 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C\C=C(\CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)/C)/C)C CPD-12321 c1ccc(cc1)C/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12385 c1ccc(cc1)CC/C=N/O CPD-12328 C1[C@@H]([C@H](O[C@H]1n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)COP(=O)([O-])[O-])O CPD-12365 c12c([nH]c(=O)[nH]1)nc([nH]c2=O)N CPD-12427 COc1cc(cc(c1O)OC)/C=C/C(=O)OCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-12422 c1ccc2c(c1)c(c[nH]2)CCCOP(=O)([O-])[O-] CPD-12164 C[C@]12[C@H](CCC3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)[C@]6(C5)CO6)C(=O)[O-])OC2=O)O CPD-12351 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO[C@@]5(C[C@H]([C@H]([C@H](O5)[C@@H](CO)O)O)O)C(=O)[O-])O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O CPD-12281 CCC[C@H](C(=O)[O-])O CPD-12252 CC1=CCC(C=C1)C(C)C CPD-12226 c1cc(cnc1)C2CCCC[NH2+]2 CPD-12317 CC(CCCCCCCCCC(=O)[O-])O CPD-12299 C[C@H]1C([C@@](C[C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3c4cc5cc3Oc6ccc(cc6Cl)[C@H](C(C(=O)N[C@H](C(=O)NC5C(=O)N[C@@H]7c8ccc(c(c8)-c9c(cc(cc9O)O)C(NC(=O)C([C@@H](c1ccc(c(c1)Cl)O4)O)NC7=O)C(=O)[O-])O)CC(=O)N)NC(=O)[C@@H](CC(C)C)[NH2+]C)O)CO)O)O)(C)[NH3+])O CPD-12245 C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCCCNC(=O)[C@H](C)NC(=O)[C@H](CO)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C CPD-12272 C(=N)C(=O)[O-] CPD-12279 C[C@@H](C(=O)N[C@@H](C)C(=O)NCCCC[C@@H](C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)[NH3+] CPD-12269 COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C/c2ccc(cc2)O)/O CPD-12187 C[C@@H](CO)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12174 c1ccc(cc1)C(CC(=O)[O-])O CPD-12218 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C CPD-12259 c1c[nH]c2c1c(c(c(c2)O)O)c3cc4c([nH]3)cc(c(c4c5cc6cc(c(cc6[nH]5)O)O)O)O CPD-12416 CC(C)CC(C(=O)[O-])NC(=O)C[NH3+] CPD-12312 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12304 c1cc(ccc1C2C(c3cc(ccc3O2)/C=C/C(=O)NCCCC[NH+]=C(N)N)C(=O)NCCCC[NH+]=C(N)N)O CPD-12232 CC(=O)[C@H]1CC(C2[C@@]1(CCC3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O CPD-12197 CSCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12391 Cn1cc(nc1)C[C@@H](C(=O)OC(=O)CC[NH3+])N CPD-12186 c1ccc(cc1)C(=O)OCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-12420 Cc1cc(cc(c1NC2=C(c3c(=CC2=O)oc4=CC(=O)C(=C(c43)C)Nc5c(cc(cc5O)O)C)C)O)O CPD-12326 C[C@H](C(=O)O[C@H](C)C(=O)[O-])[NH3+] CPD-12247 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12297 c1ccc(cc1)/C=C/C=C/C(=O)CCC2=CC(=O)C(=O)C=C2 CPD-12204 c1cc(c(c(c1)O)O)C(=O)NOP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O CPD0-2332 C[N@@H+]1CC[C@]23c4c5c(cc(c4OC2C(C=CC3[C@H]1C5)O)O)c6cc(c7c8c6C[C@@H]9C1[C@]8(CC[N@H+]9C)C(O7)C(C=C1)O)O CPD-12315 COc1cc(c(c(c1O)CCCCCCC/C=C\C/C=C\CC=C)O)OC CPD-12348 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12302 c1ccc(cc1)C/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12384 c1cc(c(cc1CC(C(=O)[O-])[NH3+])I)O CPD-12288 C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O)O CPD-12335 C[C@]12[C@H](CCC3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)[C@](C5)(CO)O)C(=O)[O-])OC2=O)O CPD-12355 CC/C=C\CCC(C/C(=C(/C)\CCCCCCCCCC(=O)[O-])/C)O CPD-12191 CSCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12394 c1c2=CC(=O)C(=O)C=c2[nH]c1C(=O)[O-] CPD-12374 CC/C=C\CC[C@H](C/C=C\CCCCCCCC(=O)[O-])O CPD-12192 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(c4ccc(cc4)O)O)O CPD-12199 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)/C=C/c4ccc(c(c4)OC)O)O CPD-12180 c1ccc(cc1)c2ccc3c4c2c(c(cc4C=CC3=O)O)O CPD-12203 CC(=O)CC[C@H](C(=O)N)[NH3+] CPD-12296 COc1cc(cc(c1O)OC)/C=C/C(=O)OC(C/C(=N/OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=C CPD-12423 c1c2c(cc(c(c2c3c4cc([nH]c4cc(c3O)O)C(=O)[O-])O)O)[nH]c1C(=O)[O-] CPD-12411 CC(CCC(CC(=C)C)O)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C CPD-12161 CSCCCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12403 C(=C\NC(=O)N)\C(=O)[O-] CPD0-2331 C[C@@]12CCC[C@@](C1[C@@H]([C@]34C2CC[C@H](C3)[C@](C4)(CO)O)C(=O)[O-])(C)C(=O)[O-] CPD-12360 CC12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)OC)OC2=O CPD-12331 C1[C@@H]([C@H](O[C@H]1n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)CO)O CPD-12381 C[C@@H]1C[NH+]([C@@H]2Cc3c4c(cccc4[nH]c3C(C)(C)C=C)C2[C@H]1OC(=O)C)C CPD-12338 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@@H](C(=O)N)[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)N)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C CPD-12308 CC1(C2CCC1C(=O)C2)C CPD-12224 C[n+]1ccc(cc1)c2cc[n+](cc2)C CPD0-2336 CCCCCCCCCC(CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCC(=O)C)OC(=O)CCCCCCC/C=C/CCCCCCCC CPD-12262 CC(=CCC/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)/CCC=C(C)C)/C)/C)/C)C CPD-12371 CC1=CC2(c3cccc4c3c(c[nH]4)CC2([NH+](C1)C)C)C CPD-12357 C[C@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)OC)OC2=O CPD-12333 CCCCCC[C@H](C/C=C\CCCCCCCCCC(=O)[O-])O CPD-12170 C[NH+]1CC(=CC2C1Cc3c[nH]c4c3c2ccc4)CO CPD-12358 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)OP(=O)([O-])[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O CPD-12286 c1cc(c(cc1/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2ccc(c(c2)O)O)C(=O)/C=C/c3ccc(c(c3)O)O)O)O CPD-12213 CC(CCO)O CPD-12276 c1cc(cnc1)O CPD-12318 C(=C\C(=O)[O-])\C(=O)NC=O CPD-12278 C[C@H]1C(=O)N[C@H](CCC(=O)N[C@H](C(=O)NC(C(=O)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](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)NC(=O)C)CO)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O[C@@H](C(=O)N[C@H](C(=O)N[C@H](CCC(=O)N[C@H](C(=O)NC(C(=O)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]6[C@H]([C@H](O[C@@H]([C@H]6O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)CO)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)NC(=O)C)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O[C@@H](C(=O)N1)C)NC(=O)C)O)CO)CO)NC(=O)C)C)C)C(=O)N)C(=O)NC(C)C(=O)[O-])N)C)CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N)C)C)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C)C)C)C(=O)N)C(=O)NC(C)C(=O)[O-])N)C)CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N CPD-12311 CCC(C)C1C(=O)NC(=C)C(=O)NC(C(=O)NC(CSCC(C(=O)N1)NC(=O)/C(=C/C)/NC(=O)C(C(C)CC)[NH3+])C(=O)NC2C(SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCC[NH3+])C(=O)NC4C(SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CCCC[NH3+])C(=O)NC5C(SCC6C(=O)NC(C(=O)NC(CSC(C(C(=O)N6)NC(=O)C(NC5=O)C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(Cc7cnc[nH]7)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCC[NH3+])C(=O)[O-])Cc8c[nH+]c[nH]8)C)C)C)CC(C)C CPD-12301 c1ccc(cc1)c2ccc3cccc4c3c2C(=O)C(=C4)[O-] CPD-12201 CCCCCCCCCCCC(=O)OC(C/C=C\CCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCCCCC/C=C\CC(OC(=O)CCCCCCCCCCC)CCCC)CCCC CPD-12265 COc1cc(ccc1O)/C=C/C(=O)NCCCC[NH+]=C(N)N CPD-12236 C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)O)O)OP(=O)([O-])[O-] CPD-12367 c1ccc2c(c1)c(c[nH]2)C/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12387 c1ccc(cc1)CCOC(=O)c2ccccc2 CPD-12217 c1c(cc(c(c1O)O)SCC(C(=O)[O-])[NH3+])CC[NH3+] CPD-12418 CC1(C=Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1)C CPD-12163 CCCCCCCC/C=C\CCCCCCCCCC(=O)[O-] CPD-12189 CSCCCCCCCC#N=O CPD-12401 Cn1c(nc(=O)c(=O)[n-]1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/c4csc(n4)N)SC2)C(=O)[O-] CPD-12294 CSCCCCCCC#N=O CPD-12398 COc1cccc(c1)C(=O)[O-] CPD-12220 C[C@H](CO)C(=O)[O-] CPD-12175 c1cc(ccc1/C=C/C(=O)CC(=O)[O-])O CPD-12208 c1c2c(cc(c(c2c3c4cc([nH]c4c(c(c3O)O)c5c6cc([nH]c6cc(c5O)O)C(=O)[O-])C(=O)[O-])O)O)[nH]c1C(=O)[O-] CPD-12413 CC(CCNC(=[NH2+])N)C(C(=O)[O-])[NH3+] CPD-12429 CC(=O)OC/C=C/c1ccc(cc1)O CPD-12215 CC1(C2CCC1C(=C)C2)C CPD-12222 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)CNC(=O)CNC(=O)C[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12243 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)[NH3+])O)CO)CO)O)O CPD-12274 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12306 CC(=C)C1Cc2c(cc(c3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O)O1 CPD-12172 CC(CCC=C1CC1)C2CCC3C2(CCC4=C3CCC5C4(CCC(C5)O)C)C CPD-12159 CC1(CC2CC1C(C2=O)(C)C)C CPD-12225 CC(CCNC(=[NH2+])N)C(=O)C(=O)[O-] CPD-12430 C[N@@H+]1CC[C@]23c4c5ccc(c4OC2C(C=CC3[C@H]1C5)O)Oc6cc(c7c8c6C[C@@H]9C1[C@]8(CC[N@H+]9C)C(O7)C(C=C1)O)O CPD-12316 CC(C)CCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2c3cccc2Oc4ccc(cc4Cl)[C@H]([C@H]5C(=O)NC(c6cc(cc(c6-c7cc(cc(c7O)O)[C@H](C(=O)N5)NC(=O)CNC(=O)[C@@H]8c9cc(cc(c9)Oc1cc(ccc1O)[C@H](C(=O)N[C@H]([C@H](c1ccc(cc1Cl)O3)O)C(=O)N8)[NH3+])O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)CO)O)O CPD-12251 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C(C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12271 C(=[NH2+])(N)NN CPD-12210 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O[C@@]5(C[C@H]([C@H]([C@H](O5)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O CPD-12284 CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCCCC/C=C\CC(O)CCCC)COC(=O)CCCCCCCCC/C=C\CC(O)CCCC CPD-12263 C[C@H](C=O)C(=O)[O-] CPD-12177 C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C CPD-12258 c1cc(ccc1/C=C/C(=C/C(=O)/C=C/c2ccc(cc2)O)/O)O CPD-12188 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N CPD-12336 COC1=Cc2cccc3c2c(c(cc3)c4ccccc4)C1=O CPD-12209 C[C@]12CCCC3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)[C@]6(C5)CO6)C(=O)[O-])OC2=O CPD-12354 c1cc(cc(c1)C(=O)[O-])C=O CPD0-2303 c1c2cc([nH]c2c(c(c1O)O)c3c4cc([nH]c4cc(c3O)O)C(=O)[O-])C(=O)[O-] CPD-12412 CC/C(=C/CCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C)/CO CPD-12162 c1ccc(cc1)/C=C/C=C/C(=O)CCc2ccc(cc2)O CPD-12205 CSCCCCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12406 c1c[nH]c2c1cc(c(c2c3cc4c([nH]3)cc(c(c4c5cc6cc(c(cc6[nH]5)O)O)O)O)O)O CPD-12415 CSCCCCCC#N=O CPD-12395 c1ccc(cc1)CC#N=O CPD-12383 [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)[O-])O)O)O)C(=O)[O-])O)O CPD-12435 C[C@@H]1C[NH+]([C@@H]2Cc3c[nH]c4c3c(ccc4)C2[C@H]1OC(=O)C)C CPD-12329 CC1(C=Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@]4(C3=O)O)OC)OC)O1)C CPD-12165 c1ccc2c(c1)c(c[nH]2)CC#N=O CPD-12386 C=CC(C/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC(=O)c2ccccc2 CPD-12421 C(CCCCCC(=O)[O-])CCCCCO CPD-12282 C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)O)O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] CPD-12366 CC(C)CCc1cccc2c1c(c[nH]2)C[C@@H](C(=O)[O-])[NH2+]C CPD-12352 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12298 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C CPD-12260 CC(=C)C1CCC(C(C1)O)C(=O)[O-] CPD-12444 C([C@@H]([C@H](CO)O)O)C(=O)C(=O)[O-] CPD-12349 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)c4ccc(cc4)O)O CPD-12200 CC(C(=O)[O-])[NH2+]CC[NH2+]C(CCCCNC(=O)CC(C(=O)[O-])O)C(=O)[O-] CPD-12314 C1=C(OC([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H](C(O[C@@H]2C(=O)[O-])OC3[C@@H]([C@H](C(O[C@@H]3C(=O)[O-])O)O)O)O)O)C(=O)[O-] CPD-12439 CN(C)c1ccc(cc1)NO CPD-12425 C/C(=C\C1c2cccc3c2c(c[nH]3)CC1[NH2+]C)/CO CPD-12356 c1c[nH]c2=CC(=O)C(=O)C=c21 CPD-12373 C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O)OP(=O)([O-])[O-] CPD-12334 C(=C\NC(=O)N)\C(=O)OO CPD0-2338 c1ccc(cc1)N2C(=O)CCC2=O CPD-12182 c1cc(ccc1/C=C/C(=O)NCCC(C[NH+]=C(N)N)O)O CPD-12237 Br CPD-12287 CSCCCCCCCCC#N=O CPD-12404 CSCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12393 COc1cc(cc(c1O)OC)/C=C/C(=O)OCCC/C(=N\OS(=O)(=O)[O-])/SC2C(C(C(C(O2)O)O)O)CO CPD-12417 c1c[nH]c2c1c(c(c(c2)O)O)c3cc4cc(c(cc4[nH]3)O)O CPD-12409 C[C@@]12[C@H]3[C@@H]([C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)C(=C)C5)C(=O)OC CPD-12350 CC(=O)N(CCCNC(=O)CC(CC(=O)NCCCN(C(=O)C)O)(C(=O)[O-])O)O CPD-12313 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C CPD-12231 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12305 CCCC#N CPD-12327 c1c([nH]cn1)CC(C(=O)[O-])NC(=O)CCC[NH3+] CPD-12185 c1cnc([nH]c1=O)N CPD-12428 CC1(C(=O)N2[C@H](C(=O)N3CCCC3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5C[NH+](C6Cc7c[nH]c8c7c(ccc8)C6=C5)C CPD-12363 CC(=C)C1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@]4(C3=O)O)OC)OC)O1 CPD-12167 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)/C=C/c4ccc(cc4)O)O CPD-12184 CC1(CC2CC1C(C2=C)(C)C)C CPD-12223 CC[C@H](C(=O)[O-])O CPD-12253 CC1=C(C(=O)c2ccccc2C1=O)C CPD0-2337 CSCCCC#N=O CPD-12389 COc1cc(ccc1O)/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2ccc(c(c2)OC)O)C(=O)/C=C/c3ccc(c(c3)OC)O CPD-12214 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12303 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO[C@@]5(C[C@H]([C@H]([C@H](O5)[C@@H](CO)O)O)O)C(=O)[O-])O)O)O[C@@]6(C[C@H]([C@H]([C@H](O6)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O CPD-12285 C[NH+]1CC(=C[C@H]2[C@H]1Cc3c[nH]c4c3c2ccc4)C(=O)[O-] CPD-12359 C[C@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)OC)OC2=O)O CPD-12332 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@@H](C(=O)N)[NH3+])C(=O)N[C@@H](C)C(=O)NC(C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N[C@@H](C)C(=O)NC(C)C(=O)[O-])C(=O)N)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C CPD-12310 CC(CC(C)O)O CPD-12275 C1CC(CC(C1)O)O CPD-12277 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12242 C(C(COP(=O)([O-])[O-])[NH3+])O CPD-12266 C[C@H](CO)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-12173 c1ccc(cc1)/C=C/C=C/C(=O)CCc2ccc(c(c2)O)O CPD-12202 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)N)NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12295 C1[C@@H]([C@H](O[C@H]1O)COP(=O)([O-])[O-])O CPD-12166 CCCCCCC(C/C=C\CCCCCCCC(=O)[O-])O CPD-12193 CC(=C)C1CCC(=CC1)C(=O)[O-] CPD-12443 [H][C@H]1CCC23[C@@H]4CC[C@@H]5C[C@]4(C[C@@]5(CO)O)[C@H]([C@@H]2[C@]1(C(=O)O3)C)C(=O)[O-] CPD-12362 C[C@H](C(=O)N[C@H](CO)C(=O)[O-])[NH3+] CPD-12249 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)C[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C D-aspartate-peptidoglycan CN(C)c1ccc(cc1)/C=C/C=O CPD-12426 c1cc(ccc1/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2ccc(cc2)O)C(=O)/C=C/c3ccc(cc3)O)O CPD-12212 CCCCCC/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](CO)O)OC(=O)CCCCCCC/C=C/CCCCCC CPD0-2330 CSCCCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12402 C(=C\N)\C(=O)[O-] CPD0-2339 CSCCCCC#N=O CPD-12392 CSCCCCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12405 C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O CPD-12339 CSCCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12399 O CPD-12377 C[C@H]1C(=O)N[C@H](CCC(=O)N[C@H](C(=O)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](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)NC(=O)C)CO)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O[C@@H](C(=O)N[C@H](C(=O)N[C@H](CCC(=O)N[C@H](C(=O)NC(=O)[C@H](CC(=O)NCCCC[C@H](NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O[C@@H]6[C@H]([C@H](O[C@@H]([C@H]6O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)CO)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)NC(=O)C)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O[C@@H](C(=O)N1)C)NC(=O)C)O)CO)CO)NC(=O)C)C)C)C(=O)N)C(=O)[O-])N)CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N)C)C)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C)C)C)C(=O)N)C(=O)[O-])N)CCCCNC(=O)C[C@H](C(=O)N)[NH3+])C(=O)N CPD-12309 C[C@@H]1C[NH+]([C@@H]2Cc3c[nH]c4c3c(ccc4)C2[C@H]1O)C CPD-12330 I CPD-12290 CBr CPD-12221 C(CO)[C@H](C(=O)[O-])[NH3+] CPD-12255 C[C@@]12CCC[C@@](C1[C@@H]([C@]34C2CC[C@H](C3)[C@]5(C4)CO5)C(=O)[O-])(C)C(=O)[O-] CPD-12353 COc1cc(oc(=O)c1)[C@@H]2[C@@]3(C[C@@H]4C([C@]2([C@@-]([C@]3(C(=O)O4)O)C(=O)c5ccccc5)O)O)O CPD-12319 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O[C@@H]3[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)NC(=O)C)O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](CCC[C@H](C(=O)[O-])[NH3+])NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]5[C@H]([C@H](O[C@@H]([C@H]5O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)O)NC(=O)C)CO)O)NC(=O)C CPD-12261 CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)\C)/C)/C)C CPD-12368 c1ccc2c(c1)c(c[nH]2)C/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12388 CC(=C)C(CCCC(=O)[O-])CC(=O)[O-] CPD-12445 CN(C)c1ccc(cc1)N=O CPD-12424 CC(C/C=C/CC(=C)C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)O)C)C CPD-12160 C1[C@@H]([C@H]([C@H]2N1[C@@H]([C@H]([C@@H]2O)O)CO)O)O CPD0-2306 CSCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-12390 CSCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12397 c1ccc(cc1)/C=C/C(=O)CC(=O)/C=C/c2ccc(cc2)O CPD-12207 C(=C\N)\C(=O)OO CPD0-2340 CSCCCCCC/C(=N/O)/SCC(C(=O)NCC(=O)[O-])[NH3+] CPD-12400 c1ccc2c(c1)-c3ccccc3[I+]2 CPD0-2301 CC1=CCC(=[CH-](C)C)CC1 CPD-12228 c1c2cc([nH]c2cc(c1O)O)c3cc4c([nH]3)cc(c(c4c5cc6cc(c(cc6[nH]5)O)O)O)O CPD-12410 COc1ccc(cc1)/C=C/C(=O)[O-] CPD-11884 CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC(CO)O CPD0-2173 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12118 CCC(C)C(C(=O)NC(Cc1c[nH]cn1)C(=O)N2CCCC2C(=O)NC(Cc3ccccc3)C(=O)O)NC(=O)C(Cc4ccc(cc4)O)NC(=O)C(C(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)N CPD-12082 C[C@](CC(=O)C(=O)[O-])(C(=O)[O-])O CPD-11855 C(C(=O)C(=O)[O-])P(=O)(C(=O)[O-])[O-] CPD-11740 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)F CPD0-2081 C1CCN(C(=O)C(C1)NC(=O)CCOC(=O)C(CCCCCN(C=O)O)NC(=O)C2CO/C(=C\3/C=CC=CC3=O)/N2)O CPD-12069 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O[C@@H]3[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)NC(=O)C)O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)N[C@H](CCC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]5[C@H]([C@H](O[C@@H]([C@H]5O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)CO)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)NC(=O)C)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)CO)NC(=O)C)C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)O)NC(=O)C)CO)O)NC(=O)C CPD-11999 c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4=O CPD-11787 Cc1c(c(c2ccccc2c1O)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-12124 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O CPD0-2231 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]2O)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CO)O)O)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O)O)O CPD-12029 C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O CPD-12045 C(CC(=O)CCNCC=O)C(C(=O)O)N CPD0-2127 COc1ccccc1O[C@H](CO)[C@@H](c2ccc(c(c2)OC)O)O CPD-11869 c1cc[n+](c(c1)C(=O)[O-])[O-] CPD0-2088 C(=O)(O)P(=O)(O)[O-] CPD-11735 c1cc(c(cc1c2ccc3c(cc(cc3[o+]2)O)O)O)O CPD-11945 N(P(=O)(O)O)P(=O)(O)O CPD0-2041 CC(=CC(=O)N(CCCC1C(=O)NC(C(=O)N1)CCCN(C(=O)C=C(C)CCOC(=O)CC(CCN(C(=O)C=C(C)CCO)O)NC(=O)C)O)O)CCO CPD0-2262 c1cc(c(cc1C2CC(c3c(cc(cc3O2)O)O)O)O)O CPD-11941 c1cc2c(c[nH]c2c(c1)Cl)CC(=[NH2+])C(=O)[O-] CPD-11753 COc1cc(cc(c1O)c2cc(cc(c2O)O)C(=O)[O-])C(=O)[O-] CPD-11860 Cc1c(sc(n1)[n+]2nc(nn2c3ccccc3)c4ccccc4)C CPD-12133 c1ccc2c(c1)c(=O)cc(o2)O CPD-12111 CC(C(=O)NC(C)C(=O)[O-])NC(=O)[C@H](CCP(=O)[O-])NC(=O)C CPD-11747 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-11994 CCOC(=O)CN CPD0-2276 C(CN(C(=O)CCC(=O)O)O)[C@@H](CN)O CPD-11971 C[C@@H](C(=O)NC(CC(=O)[O-])C(=O)[O-])[NH3+] CPD0-1944 CC(CCC(=O)O)(C(=O)O)N CPD0-2077 CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1C(C(OC(C1OP(=O)([O-])[O-])COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)([O-])[O-])OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])O)O)O)OC6(CC(C(C(O6)C(CO)O)O)OC7(CC(C(C(O7)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OCC8C(C(C(C(O8)OP(=O)([O-])[O-])NC(=O)CC(CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2257 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](OC([C@H]1OP(=O)([O-])[O-])COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)([O-])[O-])OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)CO)O)O)O)O)O)OC7(CC(C(C(O7)C(CO)O)OC8C(C(C(C(O8)C)O)O)O)OC9(CC(C(C(O9)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2247 C1=C(C(=CC(=[O-])C1=O)NCCCCC(C=O)N)C[C@@H](C=O)N CPD-12143 c1cc(ccc1C(=O)C=O)Cl CPD0-2028 C[C@@H]1[C@H]([C@@H](CC(O1)O)O)O CPD-11913 CC(=O)NC(CCCNC(=N)N)C(=O)O CPD0-2017 C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)O)O)O)O CPD-11956 C[C@H]1[C@@]([C@H]([C@H](O1)O)O)(CO)O CPD-11899 C1[C@@H]([C@H](OC([C@@H]1O)O)CO)O CPD0-1936 C(CCN(C(=O)CCC(=O)NCCCCN(C(=O)CCC(=O)O)O)O)CN CPD-11965 COc1cc(ccc1/C=C/C(=O)c2ccc(cc2)O)O CPD-11760 COc1ccc2c(c1)c(c[nH]2)CC=O CPD-12019 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](OC([C@H]1OP(=O)([O-])[O-])COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)([O-])[O-])OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)OC8(CC(C(C(O8)C(CO)O)OC9C(C(C(C(O9)C)O)O)O)OC1(CC(C(C(O1)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2258 C1CN(C(=O)CCC(=O)NC[C@H](CCN(C(=O)CCC(=O)NC[C@H]1O)O)O)O CPD-11968 COc1cc(ccc1O)C(CN)O CPD-11875 CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)O CPD0-2197 CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-2105 C[C@@H](C(=O)N[C@@H](C)P(=O)(O)O)N CPD0-2071 c1c(c(c([nH]1)CO)CC(=O)[O-])CCC(=O)[O-] CPD0-2058 CC(=O)N[C@@H](CCP(=O)[O-])C(=O)N CPD-11750 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]([C@@H]([C@@H]2O)OP(=O)([O-])[O-])O)O)O)CO)O)O CPD-11975 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(c4ccc(c(c4)OC)O)O)O CPD-11881 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12122 O[Sb](O)O CPD0-2039 C[C@@H](N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN([C@H](C)O)O)CCCN([C@@H](C)O)O)O)O.[Fe] CPD0-2241 c1cc(ccc1O)O/C=C\2/C(=O)c3ccc(cc3O2)O CPD-12038 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)c4ccccc4O)O CPD-12113 C([C@@H]1[C@H]([C@@H]([C@@H](O1)O)O)O)O CPD-12043 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(c2ccccc2C1O)O)/C)/C)/C)/C)/C)/C)/C)C CPD0-2129 CC(=O)N[C@@H](CCSC)C(=O)O CPD0-2015 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])O[C@H]1[C@@H]([C@H](C(CO1)(C=O)N)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD0-2153 C1=CC(=O)/C(=S(\CCC(C=O)N)/[Cu+2])/C=C1CC(CN)C=O CPD-12146 c1cc2c(c[nH]c2c(c1)Cl)C[C@@H](C(=O)[O-])[NH3+] CPD-11751 c1ccc(c(c1)C(=O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O CPD-12084 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](OC([C@H]1OP(=O)([O-])[O-])COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)([O-])[O-])OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)COC1C(C(C(C(O1)C(CO)O)O)O)O)O)O)O)O)O)O)OC1(CC(C(C(O1)C(CO)O)OC1C(C(C(C(O1)C)O)O)O)OC1(CC(C(C(O1)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2271 C=C(/C=C(\C(=O)[O-])/O)C(=O)[O-] CPD-11863 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)O)OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])O)O)O)OC6(CC(C(C(O6)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2238 C(CC[NH3+])CCNO CPD-11953 c1cc(cn(=O)c1)C(=O)N CPD0-2083 c1cc(ccc1C(C2C(=O)c3ccc(cc3O2)O)O)O CPD-12033 CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O CPD0-2065 CC[C@H]([C@H]([C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)O)O)C(C)C CPD-11827 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O CPD0-2140 COc1ccc2c(c1)c(c[nH]2)CC(=O)O CPD-12020 C[Se]C CPD-12005 CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-2171 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])OCC[NH3+])OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-11919 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O CPD0-2162 C(=C\C(=O)/C=C/C(=O)[O-])\C=C(/C(=O)[O-])\O CPD0-2184 C[C@H]1[C@@]([C@H](CO1)O)(C)O CPD-11898 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](OC([C@H]1OP(=O)([O-])OC2C(C(C(CO2)[NH3+])O)O)COC3(CC(C(C(O3)C(CO)O)OC4C(C(C(C(O4)C(CO)O)OP(=O)([O-])[O-])OC5C(C(C(C(O5)C(COC6C(C(C(C(O6)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)C(CO)O)O)O)O)O)O)O)O)O)O)OC1(CC(C(C(O1)C(CO)O)OC1C(C(C(C(O1)C)O)O)O)OC1(CC(C(C(O1)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2293 C1CC(=O)C=c2c1c3c4=C(N=Cc4c5c(c3[nH]2)N=C6C5=CC(=O)CC6=O)O CPD-11791 C(=C(/C(=O)O)\F)\C(=O)O CPD0-2038 [C@H](C(=O)[O-])([NH3+])NC(=O)N CPD0-2298 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)O)N)SC1)C(=O)O CPD0-2070 CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCC(C(=O)O)N)C(=O)O)NC(=O)C(C)OC1C(C(OC=C1NC(=O)C)CO)OC2C(C(C(C(O2)CO)O)O)NC(=O)C CPD0-2155 CC[C@@H](C(=O)O)N CPD0-1942 CC(=O)N[C@H](CS[As](=O)([O-])[O-])C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C([C@@H]2O)O)O)O)O)CO)O)O CPD-12152 COc1ncc(c(n1)N)COP(=O)([O-])OP(=O)([O-])[O-] CPD0-2021 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])OCC(CO)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-11920 c1cc(c(cc1C(=O)[O-])C(=O)[O-])O CPD-11865 CNCC(c1ccc(c(c1)OC)O)O CPD-11877 C(C[NH3+])CS(=O)(=O)[O-] CPD-11725 CS(=O)CCC(C(=O)O)N CPD0-1959 C1C(Nc2c(=O)[nH]c(nc2N1)N)[C@@H]([C@H](CO)O)O CPD0-2101 CCC(CO)O CPD-12010 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCC(NC(=O)C(NC(=O)C(NC(=O)C(OC2C(C(OC=C2NC(=O)C)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)OC(C(=O)N1)C)NC(=O)C)O)NC(=O)C)C)C)CCC(=O)[O-])C(=O)O)C(=O)[O-])C)CCCC(C(=O)[O-])N)CCC(=O)[O-] CPD0-2273 CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N)N CPD0-1938 C=CC/C(=N\OS(=O)(=O)O)/S CPD-12139 C(CCNO)CN CPD-11963 [H][C@H]1c2c(c3ccccc3[nH]2)CC4N1C(=O)[C@H]5[C@H]([C@@H](OC=C5C4)O[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)C=C CPD-11775 *SC(=O)c1cccc(c1O)O CPD-11951 C(C(CCl)O)O CPD0-1953 COc1cc(cc(c1O)C(=O)[O-])C(=O)[O-] CPD-11853 C[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N CPD0-2056 c1cc2c(cc1O)OC(C2=O)C3C4(O3)C=CC(=O)C=C4 CPD-12036 C[C@H]1[C@@](CC(O1)[n@]2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)(C(=O)O)O CPD-11894 c1[nH]c2c(n1)N=C(NC2N)N CPD0-2060 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-11918 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])O)O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-11917 Cc1ccn(=O)cc1 CPD0-2085 C[C@H]([C@@H]([C@H](C(=O)CO)O)O)O CPD0-2049 C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O CPD0-2067 CC[C@](CCC(=O)[O-])(C(=O)[O-])[NH3+] CPD0-2267 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[Au])O)O)O)O CPD-11946 CS(=O)c1ccccc1 CPD0-2090 C[C@@](CC(=O)C(=O)[O-])(C(=O)[O-])O CPD-11854 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12121 C(C(C(C(=O)[O-])O)C(=O)[O-])P(=O)[O-] CPD-11744 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OC(=O)[C@H](CS)N)O)O)N CPD-12085 CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5[C@H]([C@@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)O)CO)O)O)C CPD-12100 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)C CPD-11978 C(CCN)CCN(C(=O)CCC(=O)O)O CPD-11955 CC1C(C(C(C(O1)OC2C(C(OC(C2O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)OC(=O)C)OC3C(C(C(C(O3)CO)O)O)O)O CPD0-2215 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])O[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12040 C1C[C@H](NC1)CONCC(=O)O CPD0-2182 C[N@]1[C@H](CS[C@H]1[C@@H]2CSC(=N2)c3ccccc3O)C(=O)[O-] CPD-12093 CCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[NH3+] CPD0-2178 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)C CPD-11981 Cc1ccc(cc1)N.c1cc(c(c2c1[nH]cc2P(=O)(O)O)Cl)Br CPD0-1948 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)OC1=C([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)[O-])O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O[C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C CPD-12051 CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-2106 CC1C(C(C(C(O1)OC2C(C(OC(C2O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)O)O)O CPD0-2289 c1ccc(c(c1)CCN)O CPD-11758 C[C@@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C CPD-11837 C1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O CPD-12049 CCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O CPD0-2192 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-2209 CCCCCCC1CC1CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCC2CC2CCCCCC CPD0-2217 CCOc1ccc(cc1)c2[nH]c3cc(ccc3n2)c4[nH]c5cc(ccc5n4)N6CCN(CC6)C CPD0-1939 C[C@H]1[C@@H]([C@@H](C[C@@H](O1)n2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)[NH3+])O CPD-11906 Cc1c(c(c2ccccc2c1O)O)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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-12128 COc1ccccc1O[C@@H](CO)[C@H](c2ccc(c(c2)OC)O)O CPD-11870 CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O CPD0-2147 COc1ccccc1O[C@@H](CO)C(=O)c2ccc(c(c2)OC)O CPD-11871 Cc1cccc[n+]1[O-] CPD0-2012 CCN(=O)=O CPD-12077 CCCC(C(=O)O)N CPD0-1950 CC[C@H](C(=O)O)N CPD0-1952 c1cc(c(cc1C(C(=O)O)O)O)O CPD-11879 CC(=O)NCCc1c[nH]c2c1cc(c(c2)O)OC CPD-12014 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCC=O)O CPD-12012 C[Se](C)CCC(C(=O)O)N CPD-12025 c1c(cc(c(c1[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-] CPD-12153 C1[C@H]([C@H](C(O[C@@H]1C(=O)O)[C@@H](CO)O)O)O CPD0-2019 c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4O CPD-11788 c1cc2c(cc1O)oc-3c2COc4c3ccc(c4)O CPD-11782 C1c2c(=CC(=O)C1[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[nH]c4c2c5=C(N=Cc5c6c4N=C7C6=CC(=O)CC7=O)O CPD-11792 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)C CPD-11983 c1cc(ccc1N(=O)=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD0-2062 COc1cc(ccc1O)CC(C(=O)O)O CPD-11831 [H+].C[C@H]1[C@@]([C@H]([C@H](O1)O)O)(C=O)O CPD-11895 [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)OP(=O)([O-])[O-])NC(=[NH2+])N)O)[NH3+] CPD-12064 C1=O[Fe]23(O=CNO2)(O=CNO3)ON1 CPD0-2114 C[C@@H](C1CCC2[C@@]1(CCC3C2COC(=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 CPD-11835 CO/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O CPD0-2069 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(C(=O)[O-])[O-])O)O CPD-11737 C[C@H]1[C@@H]([C@H]([C@H](C(O1)n2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)O)O)O CPD-11888 C1=CC(=O)C(=CC1CC(C(=O)[O-])N)C(CC(C(=O)[O-])N)C(=O)[O-] CPD-12136 C[C@@H](C(=O)N[C@H](CCC(=O)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC[C@H]2[C@@H]([C@@H](C(O2)n3ccc(=O)[nH]c3=O)O)O)CO)O CPD0-1963 CC1C(=O)NC(C(=O)NC(C(=O)NC(CCCC(NC(=O)C(NC(=O)C(NC(=O)C(OC2C(C(OC=C2NC(=O)C)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)OC(C(=O)N1)C)NC(=O)C)O)NC(=O)C)C)C)CCC(=O)O)C(=O)O)C(=O)O)CCCC(C(=O)O)N)CCC(=O)O CPD0-2277 CCCCCCC1CC1CCCCCCCCCC(=O)N(CCOP(=O)([O-])OCC(CO)O)C(=O)CCCCCCCCCC2CC2CCCCCC CPD0-2218 CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[NH3+] CPD0-2223 CC(C1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN(C=O)O)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)[C@H]2CCNC(=N2)C(Cc3ccc(cc3)O)NC(=O)CCC(C(=O)O)N)C(C)O)O CPD-12098 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@]([C@@H](O3)C)(C(=O)[O-])O)O CPD-11892 Cc1c(c(c2ccccc2c1O)O)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)/CC/C=C(\C)/CCC=C(C)C CPD-12126 c1cc(c(cc1/C=C/C(=O)OC(CC(=O)[O-])C(=O)[O-])O)O CPD-11724 COc1ccc2c(c1)[nH]cc2CCN CPD-12053 CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-2108 c1cc2c3c4c(c5c6cccc(c6n(c5c3[nH]c2c(c1)Cl)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)Cl)C(=O)NC4=O CPD-11756 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)C CPD-11988 C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O CPD-12047 CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)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)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O CPD0-2265 CC(C)CC(C(=O)[O-])NC(=O)C(C)NC(=O)[C@H](CCP(=O)[O-])[NH3+] CPD-11749 C([C@H]([C@@H](C(=O)O)N)O)O CPD0-2189 C([C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O CPD-12080 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)C CPD-12116 C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-12027 CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C MONOTRANS-CIS-DECAPRENYL-GROUP CC(C(=O)NC(CCSC)C(=O)[O-])[NH3+] CPD0-1946 Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)C(=O)O)C CPD-11961 CC(=O)N(CCCCC(C(=O)O)NC(=O)CC(CC(=O)NC(CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O.[Fe] CPD0-2234 C(C(=O)[O-])C(CP(=O)[O-])(C(=O)[O-])O CPD-11742 C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O)O CPD-11957 [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@@H]1OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-11938 COc1cc(ccc1O)CC(=O)C(=O)O CPD-11830 C([C@H]([C@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O CPD-12079 CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-2123 CN1C(=O)c2c3c4ccccc4[nH]c3c5c(c2C1=O)c6ccc(cc6[nH]5)O CPD-11794 c1cc2c(cc1O)oc3c2c(=O)oc4c3ccc(c4)O CPD-11779 COc1cc(ccc1O)C(=O)CCO CPD-11873 CC(=O)NCCc1c[nH]c2c1cc(cc2)OC3C(C(C(C(O3)C(=O)O)O)O)O CPD-12016 C(O)P(=O)(O)[O-] CPD-11729 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]2O)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CO)O)O)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O)O)O)O)O)O)O)O CPD-12031 c1ccc2c(c1)C(=O)N(C2=O)CCS(=O)(=O)[O-] CPD0-1957 COc1cc2c(cc1O)CC3=[N+](C2)Cc4c(ccc(c4OC)O)C3 CPD-11850 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCC(NC(=O)C(NC(=O)C(NC(=O)C(OC2C(C(OC=C2NC(=O)C)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)OC(C(=O)N1)C)NC(=O)C)O)NC(=O)C)C)C)CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O)C)CCCC(C(=O)O)N)CCC(=O)O CPD0-2278 C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC(C(=O)O)[NH3+])C(=O)NC(C)C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)NC(=O)C CPD0-2285 CCOC(=O)C(=O)C CPD0-2053 C([C@H](C(=O)[O-])O)S(=O)(=O)[O-] CPD-11799 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)COP(=O)([O-])[O-])O)N CPD0-2026 CN1c2c(=O)[nH]c(nc2NCC1CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N CPD0-2045 CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-2121 C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])[NH3+] CPD0-2190 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)N[C@@H]8O)NC)OC CPD-11911 c1c([nH]cn1)C[C@H](C(=O)[O-])[NH3+] CPD-12151 COc1ccccc1O[C@@H](CO)[C@@H](c2ccc(c(c2)OC)O)O CPD-11868 c1cc[n+](cc1)O CPD0-2087 C1CCN(C(=O)CCC(=O)NCCCCN(C(=O)CCC(=O)NC1)O)O CPD-11967 CCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-2224 C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O CPD-11970 CC1([C@@H]([C@@H](C[C@@H](O1)n2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)[NH3+])O)O CPD-11910 CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O CPD0-2148 C([C@H]([C@H](C(=O)CO)O)O)O D-RIBULOSE Cc1c(cc(=O)oc1/C=C/C=C/C=C/C(=C/[C@]2([C@@H]([C@@]([C@H](O2)C)(C)O)O)C)/C)OC CPD-11925 C([C@@H](C(=O)[O-])[NH3+])OP(=O)([O-])OCC(CO)O CPD0-2030 *C(=O)OCC(COP(=O)([O-])OP(=O)([O-])OO[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(=O)[nH]c2=O)O)O)OC(=O)* CPD0-2076 [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-])O)O CPD-11930 Cc1cnc(=O)[nH]c1N CPD0-2018 C[NH+](C)CC(C(=O)[O-])N CPD0-1941 c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)NO CPD0-2250 CC(=CCc1cccc2c1[nH]cc2C[C@@H](C(=O)[O-])[NH3+])C CPD-12156 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](OC([C@H]1OP(=O)([O-])[O-])COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)([O-])[O-])OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)OC1(CC(C(C(O1)C(CO)O)OC1C(C(C(C(O1)C)O)O)O)OC1(CC(C(C(O1)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2259 COc1cc(ccc1O)C(C=O)O CPD-11876 C(CS(=O)(=O)[O-])C=O CPD-11726 C1[C@H](N=C2C(=NC(=NC2=O)N)N1)[C@@H]([C@@H](CO)O)O CPD0-2051 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)OC1=C([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)[O-])O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C CPD-12054 CCCCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC(CO)O CPD0-2133 C([C@@H]1[C@H]([C@@H]([C@H](O1)O)O)O)O CPD-12044 C(CCN)CCN(C(=O)CCC(=O)NCCCCCN(C(=O)CCC(=O)[O-])O)O CPD-11974 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-11998 CC(C(C1CNC2=NC(=CC(=O)C2=N1)N)O)O CPD0-2050 CCCCCCCCCCCCCCC/C=C\C(=O)N(CCCCC(C(=O)OC(CC)C(C)C(=O)NC1CCCCN(C1=O)O)NC(=O)C2CO/C(=C/3\C(=CC=CC3=O)C)/N2)O CPD-12072 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12119 C(C(C(=O)[O-])OP(=O)(C(=O)[O-])[O-])O CPD-11738 CC[C@@H](C)[C@H](C(=O)[O-])[NH3+] CPD-12149 CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)n2c3c(cccc3Cl)c4c2c5c(c6cccc(c6[nH]5)Cl)c7c4C(=O)NC7=O)CO CPD-11752 CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3C2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)OC6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O)C CPD-12102 C1C(C2=C(C(=O)C(C(=C2)CC(C(=O)[O-])N)O)NC1C(=O)[O-])C(=O)[O-] CPD-12138 CC(=O)N(CCCCCN)O CPD-11959 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](OC([C@H]1OP(=O)([O-])[O-])COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)([O-])[O-])OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])O)O)O)OC6(CC(C(C(O6)C(CO)O)OC7C(C(C(C(O7)C)O)O)O)OC8(CC(C(C(O8)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OC[C@@H]9[C@H]([C@@H]([C@H]([C@H](O9)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2295 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4O)O CPD-12112 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N CPD0-2109 c1ccc(cc1)S(=O)c2ccccc2 CPD0-2089 C1C(=Nc2c(=O)[nH]c(nc2N1)N)[C@@H]([C@H](CO)O)O CPD-11770 CC(=O)N(CCCC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NCC(=O)N1)CCCN(C(=O)C)[O-])CCCN(C(=O)C)[O-])[O-] CPD0-2205 c1ccc2c(c1)c(c[nH]2)c3c(c([nH]c3C(=O)[O-])C(=O)[O-])c4c[nH]c5c4cccc5 CPD-11786 Cc1c(c(c2ccccc2c1O)O)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 CPD-12125 CCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])[O-])O)OC(=O)CCCCCCC/C=C/CCCCCC CPD0-2230 Cc1c(c(c2ccccc2c1O)O)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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-12130 c1cc(ccc1C2CC(c3c(cc(cc3O2)O)O)O)O CPD-11940 CC(C1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN(C=O)O)NC(=O)C(CCCN(C=O)O)NC(=O)C(CO)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)[C@@H]2CCNC3N2c4cc(c(cc4C=C3NC(=O)CCC(C(=O)O)N)O)O)C(C)O)O CPD-12096 CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H](C(O2)COC3(CC(C(C(O3)C(CO)O)OC4C(C(C(C(O4)C(CO)O)OP(=O)([O-])[O-])OC5C(C(C(C(O5)C(COC6C(C(C(C(O6)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC1C(C(C(C(O1)C(CO)O)O)O)O)O)O)O)O)O)O)OC1(CC(C(C(O1)C(CO)O)OC1C(C(C(C(O1)C)O)O)O)OC1(CC(C(C(O1)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O CPD0-2264 [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-11939 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)OC1=C([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)[O-])O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C CPD-12063 C(CN(C(=O)CCC(=O)NC[C@H](CCN(C(=O)CCC(=O)O)O)O)O)[C@@H](CN)O CPD-11972 CC[C@H]([C@H]([C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)OS(=O)(=O)[O-])O)C(C)C CPD-11828 CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-2244 C[Se][Se]C CPD-12006 C(CP(=O)(O)[O-])C(CO)O CPD0-2099 COc1cc(cc(c1O)C(=O)/C=C(\C=C(/C(=O)[O-])\O)/C(=O)[O-])C(=O)[O-] CPD-11861 c1ccc2c(c1)c(c[nH]2)CC(=N)C(=O)[O-] CPD-11890 C(=C(\C=O)/C(=O)[O-])\C=C(/C(=O)[O-])\O CPD-11842 COc1ccc2c(c1O)C=[N+]3CCc4cc(c(cc4C3C2)O)OC CPD-11849 CCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[NH3+] CPD0-2165 C[C@H]1[C@@H]([C@H](CC(O1)O)O)O CPD-11912 CC(=O)NCCC(=O)c1cc(ccc1N)OC CPD-12023 Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)([O-])OP(=O)([O-])[O-] CPD0-2022 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@@H]([C@H]([C@@H](O3)C)O)O)O CPD-11915 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](OC([C@H]1OP(=O)([O-])[O-])COC2(CC(C(C(O2)C(CO)O)OC3C(C(C(C(O3)C(CO)O)OP(=O)([O-])[O-])OC4C(C(C(C(O4)C(COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)OC9(CC(C(C(O9)C(CO)O)OC1C(C(C(C(O1)C)O)O)O)OC1(CC(C(C(O1)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2261 C=CCC/C(=N\OS(=O)(=O)O)/S CPD-12140 CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)NC(=O)C(C)O[C@@H]1[C@H](C2OCC(C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C CPD0-2292 c1cc(c(cc1C(CO)O)O)O CPD-11878 COc1cc2c(cc1O)-c3cc4ccc(c(c4c[n+]3CC2)OC)O CPD-11852 C(CCN(C(=O)CCC(=O)O)O)CN CPD-11964 [Cr+6] CR+6 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)[NH3+])O CPD-11905 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)([O-])OP(=O)([O-])OC(CCC(=O)[O-])O CPD0-2102 COc1ccc2c(c1)c(c[nH]2)CCN CPD-12018 CCCCCCCCCCCCCCCCCCCCC(=O)N(CCCCC(C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O)NC(=O)C2COC(=N2)c3ccccc3O)O CPD-12068 C([C@H](C(=O)[O-])OP(=O)([O-])[O-])S(=O)(=O)[O-] CPD-11801 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)OC1=C([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)[O-])O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)COC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C CPD-12061 C[C@@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)OS(=O)(=O)[O-])C(C)C CPD-11839 c1cc(c(cc1/C=C/C(=O)OC2CC(=CC(C2O)O)C(=O)O)O)O CPD-11733 CCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O CPD0-2194 C[C@@H](C1=Nc2c(=O)[nH]c(nc2NC1)N)[C@@H](CO)O CPD0-2057 CC(=O)NC(Cc1cnc[nH]1)C(=O)O CPD0-2016 c1cc(c(c(c1)O)O)C(=O)NCCCNCCCN CPD-11950 CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O CPD0-2143 COC(C(C=O)O)C(C(CO)O)O CPD0-1937 CCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC(CO)O CPD0-2207 CC(C(=O)NC(C)C(=O)[O-])NC(=O)[C@H](CCP(=O)(C)[O-])NC(=O)C CPD-11748 C[C@H]1C(=O)[C@H]([C@@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O CPD0-2128 COc1cc(ccc1O)C(=O)[N@@H]C(CCC(=O)[O-])C(=O)[O-] CPD-11845 Cc1c2ccc(cc2oc(=O)c1CC(=O)[O-])NCCCCC(C(=O)[O-])[NH2+]C(=C)CC[NH3+] CPD0-2072 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O CPD0-2113 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-11984 C(CC(=O)NC(CSSSCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])C(NCC(=O)[O-])O)C(C(=O)[O-])[NH3+] CPD-11763 CCCCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-2232 C1[C@H](C=C(S1)C(=O)O)N CPD-12132 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])O)O)O)OC6(CC(C(C(O6)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2239 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]2O)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CO)O)O)O CPD-12028 c1c(cc(c(c1c2cc(cc(c2O)O)C(=O)[O-])O)O)C(=O)[O-] CPD-11864 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)OS(=O)(=O)[O-])O)C(C)C CPD-11826 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(CC(=O)c4ccccc4O)O)O CPD-12114 CC[C@H]([C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CCCNC(=N)N)[C@@H](C)C)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(=O)O)Cc3nc[nH]c3)C CPD-12083 C(=O)P(=O)([O-])[O-] CPD-11736 c1cc(ccc1C(C2C(=O)c3ccc(cc3O2)O)OO)O CPD-12032 Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](c4ccccc4)O)SC2)C(=O)O CPD0-2066 c1cn(c(=O)[nH]c1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)COP(=O)([O-])[O-])O)O CPD0-2080 c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4C(=O)[O-] CPD-11790 C1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O CPD-11897 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])O[C@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12042 c1c(c(nc(n1)C(F)(F)F)N)COP(=O)([O-])OP(=O)([O-])[O-] CPD0-2020 [C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-11937 C[C@H]([C@H](C)O)O CPD-12004 CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O CPD0-2200 COc1ccc2c(c1)c(c[nH]2)CCO CPD-12021 c1ccc(c(c1)CC(C(=O)O)N)O CPD-11757 C1COCCN1CCCS(=O)(=O)O CPD0-1958 COc1ccccc1O[C@H](CO)C(=O)c2ccc(c(c2)OC)O CPD-11872 CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O CPD0-2195 c1cc2c(cc1O)oc(=O)c(c2[O-])c3ccc(cc3O)O CPD-11783 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]2O)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CO)O)O)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO)O)O)O)O)O CPD-12030 CCCCCCC1CC1CCCCCCCC(=O)N(CCOP(=O)([O-])OCC(CO)O)C(=O)CCCCCCCC2CC2CCCCCC CPD0-2216 C1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O CPD-11896 C(C(CS)O)O CPD0-1951 CCC(C)(C(=O)C(=O)[O-])O CPD-12013 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)C CPD-11977 CC(=O)NCCc1c[nH]c2c1cc(c(c2)OS(=O)(=O)O)OC CPD-12015 CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])O CPD0-2254 [H]/N=c\1/c2c(ncn1O)n(cn2)C3C(C(C(O3)CO)O)O CPD0-2013 C(CP(=O)[O-])C(=O)C(=O)[O-] CPD-11743 CCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-2120 c1ccc(cc1)C(=O)[N@@H]C(CCC(=O)[O-])C(=O)[O-] CPD-11846 c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+] CPD-12078 COc1cc(ccc1O)C(=O)C(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)[O-])N CPD-11880 C[Se]C[C@@H](C(=O)O)N CPD-12024 Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCC(=O)O)C CPD-11962 CCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-2117 CC(C)C[C@H](C(=O)O)N CPD-12150 CSC(CC(C(=O)O)N)C(=O)O CPD0-2023 c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)[NH+]=CNC[C@H]2O CPD-11928 Cc1cccn(=O)c1 CPD0-2084 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)C CPD-11982 c1cc(ccc1C2C(=O)NC(=O)N2)O CPD0-2055 C[C@H]1[C@@H]([C@@H](CC(O1)O)O)O CPD-11914 Cc1c(c(c(c(c1O)OC)OC)O)CC=C(C)C CPD0-2061 COc1cc(ccc1O)C(=O)C(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)[O-])N CPD-11866 c1cnc[n+](c1)[C@H]2C[C@@H]([C@H](O2)CO)O Pyrimidine-Deoxyribonucleosides CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)OC6[C@H]([C@@H]([C@@H]([C@H](O6)COC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)C CPD-12099 c1cc(cn(=O)c1)C(=O)[O-] CPD0-2082 [Se] CPD-11270 CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O CPD0-2144 C1CCN=CC1 CPD-11764 C(CS(=O)(=O)[O-])C(=O)[O-] CPD-11727 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O[C@@H]3[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)NC(=O)C)O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](CCC[C@H](C(=O)[O-])[NH3+])NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]5[C@H]([C@H](O[C@@H]([C@H]5O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[O-])NC(=O)C)O)NC(=O)C)CO)O)NC(=O)C CPD-12000 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O CPD0-2068 C[C@@]12[C@@](CC(O1)[n@]3c4ccccc4c5c3c6[n@]2c7ccccc7c6c8c5C(=O)NC8)(C(=O)O)O CPD-11889 C[C@@H]1C(N=C(O1)c2ccc(c(c2)O)O)C(=O)NCCCNCCCNC(=O)c3cccc(c3O)O CPD-11952 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCC(NC(=O)C(NC(=O)C(NC(=O)C(OC2C(C(OC=C2NC(=O)C)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)O)O)NC(=O)C)OC(C(=O)N1)C)NC(=O)C)O)NC(=O)C)C)C)CCC(=O)[O-])C(=O)NC(C)C(=O)[O-])C(=O)[O-])C)CCCC(C(=O)[O-])N)CCC(=O)[O-] CPD0-2270 c1cc(c(cc1CC(C(=O)[O-])N)C(CC(C(=O)[O-])N)C(=O)[O-])O CPD-12135 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])O[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])[O-])O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12039 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)O)OC4[C@H]([C@H]([C@@H](C(O4)[C@H](CO)O)OP(=O)([O-])[O-])O)O)O)OC5(CC(C(C(O5)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]6[C@H]([C@@H]([C@H]([C@H](O6)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-2240 CC(=O)N[C@@H](CCP(=O)[O-])C(=O)[O-] CPD-11746 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O CPD0-2152 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-11997 C[N+]1(CCOCC1)O CPD0-1961 CC(=O)NCCC(=O)c1cc(ccc1NC=O)OC CPD-12022 C[C@@H](C[C@@H](C(=O)[O-])[NH3+])[NH3+] CPD-11882 Cc1c(c(c2ccccc2c1O)O)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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-12129 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])O[C@H]1C(=O)[C@@H]([C@H](O1)CO)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12041 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)/C)/C)C CPD-12115 CC(=CCC/C(=C\CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C CPD-11990 CC(=CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)C CPD-11979 CCCCCCC1CC1CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC2CC2CCCCCC CPD0-2202 CS(=O)(=O)CCC(C(=O)O)N CPD0-1940 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)OC1=C([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)[O-])O)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)OC1[C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C CPD-12060 c1cc(c(c(c1C(=O)O)O)O)O CPD0-2059 COc1cc(cc(c1O)c2cc(cc(c2O)OC)C(=O)[O-])C(=O)[O-] CPD-11859 CC1C(C(C(C(O1)OC2C(C(OC(C2O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)OC(=O)C)O)O CPD0-2290 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[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)C)O[C@H]3[C@@H]([C@H](C(O3)[C@@H](CO)O[C@H]4[C@@H]([C@H](C(O4)[C@@H](CO[C@H]5[C@@H]([C@H](C(O5)[C@@H](CO)O[C@H]6[C@@H]([C@H](C(O6)[C@@H](CO[C@H]7[C@@H]([C@H](C(O7)[C@@H](CO)O[C@H]8[C@@H]([C@H](C(O8)[C@@H](CO[C@H]9[C@@H]([C@H](C(O9)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O[C@H]1[C@@H]([C@H](C(O1)[C@@H](CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)NC(=O)C CPD-12050 C[C@@]12CCN([C@@H]1N(c3c2cc(cc3)OC(=O)NC)C)C CPD-12048 CCCCCCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-2253 *SC(=O)C1C(OC(=N1)c2cccc(c2O)O)C CPD-11949 CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC[NH3+] CPD0-2177 CC(C(=O)NC(CCCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C(C)N)C(=O)[O-])[NH3+] CPD0-2256 C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC(C(=O)O)[NH3+])C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C@H](CO[C@@H]([C@H]1O)CO)NC(=O)C CPD0-2284 C([C@H]1[C@@H]([C@H]([C@H](O1)O)O)O)O CPD-12046 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@]([C@@H](O3)C)(CO)O)O CPD-11900 CC1C(=O)NC(C(=O)NC2CCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)NC(=O)C)CO)OC5C(OC(C(C5O)NC(=O)C)OC6C(OC(C(C6OC(C(=O)N1)C)NC(=O)C)OC7C(OC(C(C7O)NC(=O)C)OC8C(OC=C(C8OC(C(=O)NC(C(=O)NC(C(=O)NC(CCCC(NC(=O)C(NC2=O)C)C(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)O)CCC(=O)O)C)C)NC(=O)C)CO)CO)CO)CO)NC(=O)C)C)C)CCC(=O)O)CCCC(C(=O)O)N)C)C(=O)O)CCC(=O)O CPD0-2296 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@H]([C@H]([C@@H](O3)C)O)[NH3+])O CPD-11909 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 CPDQT-326 CCCCCCCCCCCCCCC/C=C/C(=O)N(CCCCC(C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O)NC(=O)C2CO/C(=C/3\C=CC=CC3=O)/N2)O CPD-12071 CC(=O)NCCc1c[nH]c2c1cc(cc2)OS(=O)(=O)O CPD-12017 C(C(C(=O)O)N)n1c(=O)[nH]c(=O)o1 CPD-11771 c1nc(c2c(n1)n(cn2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N CPD0-2086 c1ccc2c(c1)c3c4c(c5c6ccc(cc6[nH]c5c3[nH]2)O)C(=O)NC4=O CPD-11793 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)O CPD-11916 CCSCC(=O)CC(=O)O CPD0-2054 c1ccnc(c1)C=O CPD0-2011 c1ccc2c(c1)c(c([nH]2)C3=CC(=O)C(=O)c4c3c(c[nH]4)CCC=O)CC(C=O)N CPD-12145 COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)O)O CPD-11867 CCCCCCS(=O)(=O)O CPD0-2074 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N)CO)O)O)N CPD-11932 C[C@H](C(=O)[O-])OS(=O)(=O)[O-] CPD-11798 CC(=O)O[C@@H]1C[C@]2([C@@H](CCC2=O)C3=C1[C@@]4(c5c(coc5C3=O)C(=O)O[C@@H]4COC)C)C CPD-11924 C[C@@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C CPD-11840 c1cc(ccc1C(=O)[N@@H]C(CCC(=O)[O-])C(=O)[O-])O CPD-11847 CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCCC(NC(=O)C(NC(=O)C(NC(=O)C(OC2C(C(OC=C2NC(=O)C)CO)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)NC(=O)C)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)[O-])C(=O)NC(CCCC(C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)[O-])NC(=O)C)O)NC(=O)C)OC(C(=O)N1)C)NC(=O)C)O)NC(=O)C)C)C)CCC(=O)[O-])C(=O)NC(C)C(=O)[O-])C(=O)[O-])C)CCCC(C(=O)[O-])[NH3+])CCC(=O)[O-] CPD0-2266 c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4 CPD-11789 C[C@H]([C@H]([C@H](C=O)O)O)O CPD0-2167 CC1C(C(C(C(O1)OC2C(C(OC(C2O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C)OC(=O)C)OC3C(C(C(C(O3)COC4C(C(C(O4)C(CO)O)O)O)O)O)O)O CPD0-2219 C(C[C@@H](C(=O)[O-])[NH3+])CN(C=O)O CPD-12097 C[C@@]12[C@@](CC(O1)[n@]3c4ccccc4c5c3c6[n@]2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O CPD-11887 CP(=O)(CC[C@@H](C(=O)[O-])N)[O-] L-PHOSPHINOTHRICIN CCCCCS(=O)(=O)O CPD0-2075 c1cc2c(c[nH]c2c(c1)Cl)c3c(c([nH]c3C(=O)[O-])C(=O)[O-])c4c[nH]c5c4cccc5Cl CPD-11754 c1cc(ccc1/C=C/2\C(=O)c3ccc(cc3O2)O)O CPD-12037 c1cc2c(cc1CC(C(=O)[O-])N)C(CC(N2)C(=O)[O-])C(=O)[O-] CPD-12137 CC(=CCC[C@@](C)([C@H]1CC[C@@]2(C1[C@@H](CC3[C@]2(CCC4[C@@]3(CC[C@@H](C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C CPD-12104 CC[C@@]1(c2cc-3n(c(=O)c2COC1=O)Cc4c3nc5ccccc5c4)O CPD-11776 Cc1c(c(c2ccccc2c1O)O)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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-12127 CC(=O)N1CCCCCNC(=O)CCC(=O)N2CCCCCNC(=O)CCC(=O)N(O[Fe+3](O2)O1)CCCCCN CPD0-2124 CC(C(=O)NC(CCC(=O)[O-])C(=O)N)[NH3+] CPD0-1945 [Mo+6] CPD0-2009 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-12120 CCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-2107 CC(=O)N(CCC[C@@H](C(=O)[O-])[NH3+])O CPD-12101 c1cc2c3c4c(c5c6cccc(c6[nH]c5c3[nH]c2c(c1)Cl)Cl)C(=O)NC4=O CPD-11755 Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)CO)C CPD-11960 CC1C(=O)NC(C(=O)NC(C(=O)NC(CCCC(NC(=O)C(NC(=O)C(NC(=O)C(OC2C(C(OC=C2NC(=O)C)CO)OC3[C@H]([C@@H]([C@H]([C@@H](O3)CO)OC4[C@H](C(C(C(O4)CO)OC5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)NC(=O)C)OC(C(=O)N1)C)NC(=O)C)O)NC(=O)C)C)C)CCC(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)[O-])CCCC(C(=O)O)N)CCC(=O)[O-] CPD0-2212 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(c2ccccc2c1O)O)/C)/C)/C)/C)/C)/C)C CPD-12117 C#CCNCC(=O)[O-] CPD0-2281 COc1cccc2c1c(c[nH]2)CNC(=S)SCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)[O-])[NH3+] CPDQT-435 CC(=C)[C@H]1CC[C@@]2(CCCC(=C)[C@H]2C1)C CPD-11504 CSCCCCCCCC/C=N/O CPDQT-262 CSCCCCCC/C(=N\O)/SC1C(C(C(C(O1)O)O)O)CO CPDQT-417 c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)I)I)O CPD-11412 CC1=C(C(=O)C(=CC1=O)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)/CC/C=C(\C)/CCC=C(C)C CPD-11662 Cc1cc(cc2c1C(=O)CC(O2)(Cc3cc(cc(=O)o3)[O-])O)O CPD-11556 Cc1c[nH]c(=O)n(c1=O)C CPD0-1930 CCn1c(ccnc1=O)N CPD0-1929 CSCCCCCCCC/C(=N/O)/SCC(C(=O)O)N CPDQT-410 c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)N)I)I)O CPD-11402 c1cc(ccc1CC(C(=O)O)N)F CPD0-1900 C[C@H]1CC[C@@H](C2=CC(=C)CC[C@H]12)[C@@H](C)CCC=C(C)C CPD-11424 CSCCCCC/C(=N\O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-285 COc1cc(ccc1O)C[C@@H](C(=O)O)N CPD-11496 C1CN[C@@H](C[NH2+]1)C(=O)N CPD-11624 CSCCCCCCCC(CC(=O)[O-])(C(=O)[O-])O CPDQT-35 CC(=CCC/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)/CCCC(C)(C)O)/C)/C)/C)C CPD-11447 CCCCCC(=O)Cc1cc(cc(=O)o1)[O-] CPD-11506 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)C=C(C1=O)OC)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-11659 CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-1889 C(CC[NH2+]CCC[NH2+]CCC[NH3+])C[NH3+] CPD-11647 CC(C)(C)NC(=O)[C@@H]1C[NH2+]CCN1 CPD-11640 CCC[n+]1cnc2c(c1N)nc[nH]2 CPD0-1922 C(C[C@@H](C(=O)[O-])[NH3+])CNO CPD-11571 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)I)I)CC(=O)[O-] CPD-11409 [C@H]1([C@H]([C@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-11700 CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)O)/C)/C)/C)C CPD-11464 c1ccc(cc1)NNC(=S)/N=N/c2ccccc2 CPD-11586 c1c[nH]c(=S)[nH]c1=O CPD-11283 COc1cc(cc(c1O)O)/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2cc(c(c(c2)OC)O)OC)C(=O)/C=C/c3cc(c(c(c3)OC)O)O CPD-11668 c1cc(ccc1O)Oc2c(cc(cc2I)C[C@@H](C(=O)[O-])[NH3+])I CPD-11396 COC(=O)/C=C/C(=O)NCC(C(=O)[O-])NC(=O)[C@H](CCCC[NH3+])[NH3+] CPD0-1907 CSCCCCCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-300 Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C CPD-11439 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\[C@@H](O)C(O)(C)C)/C)/C)/C)/C=C/C=C(/C=C/C=C(/C=C/[C@@H](O)C(O)(C)C)\C)\C CPD-11451 CSCCCCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-296 COc1cc(ccc1O)CCC=O CPD-11530 C=CCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-422 C1CC(=O)C([C@H]1CC(=O)[O-])C/C=C\CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-11510 Cc1cc(cc2c1c(=O)cc(o2)CC(=O)CC(=O)[O-])O CPD-11566 C[C@H]1[C@H]2[C@@]3([C@](C[C@@]([C@@H]3CC1)(C)C)(CC2)C)O CPD-11441 CC1=CCC[C@]2(C1C[C@@H](CC2)C(C)(C)O)C CPD-11430 C([C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O CPD-11613 CSCCCC/C=N/O CPDQT-341 CC1=C([C@@](CC(C1)O)(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(O)C(O)(C)C)\C)\C)\C)/C)/C CPD-11449 CSCCCCCCCC/C(=N\O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-419 Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Fe+3](n2c(c1CCC(=O)[O-])/cc/6\nc(\c5)C(=C6CCC(=O)[O-])C)O)C)C=C)C(=C3C=C)C CPD-11677 C1CNC[C@@H]([NH2+]1)C(=O)[O-] CPD-11622 CSCCCCC/C(=N/O)/S CPDQT-412 c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)[O-])[NH3+])I)I)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O CPD-11400 CSCCCCCC/C(=N/O)/SCC(C(=O)O)N CPDQT-408 Cc1cc(c(c2c1c(=O)cc(o2)CC(=O)C)C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)[O-] CPD-11558 C[C@H]1C(=O)[C@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H](C(O2)n3ccc(=O)[nH]c3=O)O)O)O)O CPD-11540 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/CO)/C)C CPD-11423 C(=O)([O-])[O-] CO3 c1ccc2c(c1)c(c[nH]2)CC3(C(=O)OC4C3(OCC4O)O)O CPDQT-426 c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)[O-])I)I)OC3C(C(C(C(O3)C(=O)[O-])O)O)O CPD-11410 c1cc(oc1CO)CO CPD-11573 C[C@]1(C2[C@@](C3[C@@]4(C[C@]([C@@H](C4)CC3)(O)C)CC2)(CCC1)C)C CPD-11669 COC(=O)/C=C/C(=O)NCC(C(=O)N[C@@H](Cc1ccccc1)C(=O)O)N CPD0-1910 CC/C=C\CC1C(CCC1=O)CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11528 CC(C)NC=O CPD-11435 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)O[C@H]4[C@@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)O)O CPD-11684 C1[C@@H]([C@@H]([C@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O CPD-11650 c1c[nH]c(=O)[n+](c1N)CCO CPD0-1923 CSCCCCC(C(=O)O)N CPDQT-340 C1[C@@H]([C@H](O[C@H]1n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O CPD0-1905 CSCCCCCCC(C(C(=O)[O-])O)C(=O)[O-] CPDQT-39 Cc1cc(cc(c1O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O CPD-11712 c1cc2c(cc1O)c(c[nH]2)CC3NC(CS3)C(=O)O CPD-11670 c1cc(c(cc1C(=O)NCCC[NH2+]CCCCNC(=O)CC(CC(=O)NCCCC[NH2+]CCC[NH3+])(C(=O)[O-])O)O)O CPD-11481 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)[C@H](CCC(=O)O)N)O)O)O)N CPD0-1884 CSCCCCCC(CC(=O)[O-])(C(=O)[O-])O CPDQT-33 *[C@]1([C@@H]2c3ccn(c(=O)n3)C4CC(C(O4)COP(=O)(OC5C[C@H](N2C(=O)NC1=O)OC5C)O)OP(=O)(O)O)O CPD-11657 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3C4=C([C@H]5[C@@H](O3)Nc6c(c(=O)[nH]c(n6)N)N5)S[Mo](=O)(=O)S4)O)O CPD0-1882 COc1cc(ccc1O)/C=C/C(=O)OCCCCCCCCCCCCCCCC(=O)[O-] CPD-11591 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O CPD-11690 CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)OC)/C)/C)/C)C CPD-11466 C([C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O CPD-11611 c1cc(ccc1N)S(=O)(=O)Nc2nccs2 CPD-11285 c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3cccc4 CPDQT-424 C[C@@H](C(=O)N)[NH3+] CPD-11636 CC/C=C\CC1C(CCC1=O)C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11526 C[C@]12CCCC(=C)C1C[C@@H](CC2)C(C)(C)O CPD-11432 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC4C(C(C(C(C4O)O)O)O)O)O)O)N CPD-11666 Cc1c2c/3n4c1/cc/5\nc(/cc\6/c(c(/c(c/c7n/c(c3)/C(=C7C)CCC(=O)[O-])/N6=[Fe+3]4OC(=O)CCC\8=C(c/9n/c8c\c1n3c(c(c1CCC(=O)[O-])C)/cc/1\nc(/cc/4\n(/c(c9)/c(c4C=C)C)[Fe+3]3OC(=O)CC2)C(=C1C=C)C)C)C)C=C)C(=C5C=C)C.Cc1c2c/3n4c1/cc/5\nc(/cc\6/c(c(/c(c/c7n/c(c3)/C(=C7C)CCC(=O)[O-])/N6=[Fe+3]4OC(=O)CCC\8=C(c/9n/c8c\c1n3c(c(c1CCC(=O)[O-])C)/cc/1\nc(/cc/4\n(/c(c9)/c(c4C=C)C)[Fe+3]3OC(=O)CC2)C(=C1C=C)C)C)C)C=C)C(=C5C=C)C.Cc1c2c/3n4c1/cc/5\nc(/cc\6/c(c(/c(c/c7n/c(c3)/C(=C7C)CCC(=O)[O-])/N6=[Fe+3]4OC(=O)CCC\8=C(c/9n/c8c\c1n3c(c(c1CCC(=O)[O-])C)/cc/1\nc(/cc/4\n(/c(c9)/c(c4C=C)C)[Fe+3]3OC(=O)CC2)C(=C1C=C)C)C)C)C=C)C(=C5C=C)C.Cc1c2c/3n4c1/cc/5\nc(/cc\6/c(c(/c(c/c7n/c(c3)/C(=C7C)CCC(=O)[O-])/N6=[Fe+3]4OC(=O)CCC\8=C(c/9n/c8c\c1n3c(c(c1CCC(=O)[O-])C)/cc/1\nc(/cc/4\n(/c(c9)/c(c4C=C)C)[Fe+3]3OC(=O)CC2)C(=C1C=C)C)C)C)C=C)C(=C5C=C)C CPD-11679 C[C@@H]1OC([C@H]([C@@H]([C@@H]1OC)O)OC)OC(C(O)(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(CC(C[C@]2(C)C)O)C)\C)\C)/C)/C)/C CPD-11453 c1cc(c(cc1C(=O)[O-])O)F CPD-11499 CC/C=C\CC1C(CCC1=O)CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11517 Cc1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2 CPD-11587 c1ccc2c(c1)c(c[nH]2)CO CPDQT-428 CC/C=C\CC1C(CCC1=O)CCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11522 C[C@H]1[C@@H]([C@@]2([C@](C[C@@]([C@@H]2C(C1)OC(=O)C)(C)C)(C=O)C)O)C=O CPD-11442 c1cc2c(cc1OS(=O)(=O)O)c(c[nH]2)CCN CPD-11665 CSCCCC(CC(=O)[O-])(C(=O)[O-])O CPDQT-31 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[C@@H]6[C@@]5(CC[C@@H](C6)OC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)[NH2+]C1 CPD-11598 CCCCCCCC(=O)OCC(CCCCO)OC(=O)CCCCCCC CPD0-1761 c1cc2c(ccc(c2cc1C(=O)[O-])O)O CPD-11420 c1cc(c(cc1C(=O)[O-])Cl)O CPD-11498 CSCCCCCCC(=O)C(=O)[O-] CPDQT-29 [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-11696 c1c[nH]c(=O)n2c1ncc2 CPD0-1931 C([C@@H](C(=O)[O-])[NH3+])C(=O)NO CPD-11551 Cc1cc(cc(c1C(=O)C)OC)C(=O)[O-] CPD-11676 Cc1cc(cc(c1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O CPD-11714 c1cc(=O)oc2c1cc(c(c2)O)OC3C(C(C(C(O3)CO)O)O)O CPD-11682 CSCCCCCCC/C(=N/O)/S CPDQT-414 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C/CCCCCCCC CPD-11689 CC(C)[C@@H](C(=O)O)NC(=O)C(CNC(=O)/C=C/C(=O)OC)N CPD0-1911 Cc1cc(=O)oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-11641 CC1=C(C(=O)C(=CC1=O)OC)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-11656 c1cc(ccc1CC[NH3+])Oc2ccc(cc2)O CPD-11406 *n1cnc2c1nc(nc2NC/C=C(/C)\CO)SC CPD-11593 CC/C=C\CC1C(CCC1=O)CCCCCC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O)O CPD-11519 CSCCC(C(=O)N)[NH3+] CPD-11637 CCCc1cc(=O)[nH]c(=S)[nH]1 CPD-11429 O[Sb]1O[Sb](O[Sb](O1)O)O CPD0-1919 Cc1cn(c(=O)[nH]c1=O)[C@H]2CC(C(O2)COP(=O)(O)OC3C[C@@H](OC3C)N4CC(C(=O)NC4=O)C)OP(=O)(O)O CPD-11643 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)N CPD-11561 CSCCCCCCCC(C(=O)O)N CPDQT-256 CC/C=C\CC1C(CCC1=O)CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O)O CPD-11527 c1cc(c(cc1C(=O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)O)O CPD-11474 Cc1c(c(ccc1CO)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/c2ccc(c(c2C)C)C(=O)[O-])/C)/C)C CPD-11461 CSCCCCCCCCC(=O)C(=O)[O-] CPDQT-41 Cc1cc2cccc(c2c(c1)O)O CPD-11688 CSCCCC(C(C(=O)[O-])O)C(=O)[O-] CPDQT-36 CCCCCCCCCCCCCCCC(=O)OCCO CPD0-1811 CC1C2C[C@@H](O1)N3C[C@@](Cc4cn(c(=O)[nH]c4=O)[C@H]5CC(C(O5)COP(=O)(O2)O)OP(=O)(O)O)(C(=O)NC3=O)C CPD-11654 C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3C24CC[C@@]([C@H](C3)C4)(CO)O)(C)CO)O CPD-11426 O[As]1O[As](O[Sb](O1)O)O CPD0-1920 COc1cccc2c1c(c[nH]2)CN=C=S CPDQT-433 CC1=C([C@@](C[C@@H](C1)O)(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](C[C@]2(C)C)OC3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C)\C)\C)/C)/C CPD-11470 c1cc(c(cc1C(=O)NCCC[NH2+]CCCC[NH3+])O)O CPD-11476 CCCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO CPD0-1812 Cc1cc(cc(c1c2cc(cc(=O)o2)[O-])O)O CPD-11553 c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)CO)[C@@H]2C4C(C(C(C(O4)CO)O)O)O CPD-11590 CSCCCCC(=NOS(=O)(=O)[O-])S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-281 C(CSSCCO)O CPD0-1885 CCCCCCCC(=O)OCC(C(C)(C)O)OC(=O)CCCCCCC CPD0-1763 CC\1=CCCC(/C1=C\C=C(/C)\C=C\C=C(/C)\C=C)(C)C CPD-11536 C(CCCCCCCCO)CCCCCCCO CPD-11596 c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)[O-])I)I)O CPD-11404 CCC[C@@H](C(=O)OC(=O)[C@H](CNC(=O)/C=C/C(=O)OC)N)[NH3+] CPD0-1909 CSCCCCCC(C(=O)O)N CPDQT-404 C[C@@H](C1[C@@]2([C@](C3[C@](C4C(=CC3)[C@@]([C@H](CC4)O)(C)C)(CC2)C)(CC1)C)C)CCC=C(C)C CPD-11541 C=CC(C/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O CPDQT-421 CC/C=C\CC1C(CCC1=O)CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11524 CCCC(CCC)C(=O)OCC(CO)OC(=O)C(CCC)CCC CPD0-1759 CC(C[C@@H](CC(C(F)(F)F)(C(F)(F)F)O)O)C1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C CPD-11440 CC1CCC2=C1CC3CCC2(C3(C)C)C CPD-11414 c1cn2cnc3c(c2n1)nc[nH]3 CPD0-1927 CSCCCCC(=NO)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-416 CCCCC/C=C\C[C@H]1[C@@H](O1)/C=C/C(C/C=C\CCCC(=O)[O-])O CPD-11568 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)[O-] CPD-11403 C[C@H]1CCC2([C@@]3(C1CC(C2(C)C)CC3)C)O CPD-11399 c1c(cc(c(c1Cl)[O-])Cl)[N+](=O)[O-] CPD-11436 CC(C)(C)NC(=O)[C@H]1C[NH2+]CCN1 CPD-11632 C[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)CO)O)O)O CPD-11607 Cc1c(c(c(cc1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCC[C@]2(C)C)C)\C)\C)/C)/C)C)C CPD-11456 CSCCCC/C(=N/O)/SCC(C(=O)O)N CPDQT-406 CC(=O)C1=CN(C=CC1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O CPD0-1899 CC1=CCC(=CC1)[C@H](C)CCC=C(C)C CPD-11392 CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/C)C CPD-11468 CC1C(C(C(C(O1)OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3ccc(=O)[nH]c3=O)O)O)O)O)O CPD0-1898 C1C[C@H](C[NH2+]C1)C(=O)N CPD-11639 CC1=C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@H]1C3)(CCCC4(C)C)C CPD-11534 c1cc2c(cc1OS(=O)(=O)[O-])c(c[nH]2)CCO CPD-11674 C1CC(N(C1)C(=O)COP(=O)([O-])OP(=O)([O-])[O-])C(=O)[O-] CPD-11394 CCCCCc1cc(cc(c1)O)O CPD-11505 CC(=O)Nc1cc[n@@](c(=O)n1)C2[C@@H]([C@@H]([C@H](O2)CO)O)O CPD-11648 CS(=O)CCCCC/C(=N/OS(=O)(=O)[O-])/SC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-284 c1cc(oc1CO)C=O CPD-11572 CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O)/C)/C)/C)C CPD-11463 CS(=O)CCCCCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-299 Cn1cc[nH]c1=S CPD-11282 *n1cnc2c1nc(nc2NCC=C(C)C)SC CPD-11592 CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(=O)C(C)(C)O)/C)/C)/C)C CPD-11465 CC1=C(C(=O)C(=CC1=O)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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-11660 [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-11701 Cc1ccc(cc1)C(C)CCC=C(C)C CPD-11391 C[C@H](/C=C/[C@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C CPD-11602 CC1(C(=Nc2c(nc(nc2O)N)N1)CO)C CPD0-1716 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)C=C(C1=O)OC)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-11661 C(CCO)C/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-274 CCCCCc1cc(cc(=O)o1)[O-] CPD-11507 CC(C)(COP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCS)O PHOSPHOPANTOTHEINE-GROUP CC1=CC=C(CC1)C(C)CCC=C(C)C CPD-11393 CSCCCCCC[C@H](C(=O)O)N CPDQT-349 CN(C)CCCN1c2ccccc2CCc3c1cccc3 CPD-11438 Cc1c(ccc(c1C)C(=O)[O-])/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/c2c(c(c(cc2)C(=O)[O-])C)C)\C)\C)/C)/C CPD-11462 C[C@](Cc1ccc(c(c1)O)O)(C(=O)O)NN CPD-11550 COc1cccc2c1c(c[nH]2)C[NH3+] CPDQT-436 *C(C(=O)O)N CPD-11565 CC(C(=O)NC(C(=O)[O-])Sc1ccccc1)[NH3+] CPD0-1916 COC(=O)/C=C/C(=O)NCC(C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)N CPD0-1913 CC(=CCCC1(C2CCC(C2)C1=C)C)C CPD-11378 CSCCCCCCC/C=N/O CPDQT-350 c1ccc2c(c1)c(c[nH]2)CNC(=S)SCC(C(=O)NCC(=O)[O-])NC(=O)C(CCC(=O)[O-])[NH3+] CPDQT-434 CC1(CC(=O)c2c(cc(cc2O1)O)Cc3cc(cc(=O)o3)[O-])O CPD-11555 CC1CCC23C1CC(C2(C)C)CC=C3C CPD-11413 CC1=C2C[C@@H](CCC2(CCC1)C)C(C)(C)O CPD-11433 COC(=O)c1c[nH]c2c1cccc2 CPDQT-423 [C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-11702 CSCCCCCCC(CC(=O)[O-])(C(=O)[O-])O CPDQT-34 c1cc2c(cc1O)c(c[nH]2)CCO CPD-11671 C(CC(=O)NC(CSS)C(=O)NCC(=O)[O-])C(C(=O)[O-])[NH3+] CPD-11281 CCC(C)(C)C(=O)SCCC(=O)OC CPD0-1720 C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O CPD-11444 CCCCCCCC(=O)OCC(O)OC(=O)CCCCCCC CPD0-1815 C1CN[C@@H](CN1)C(=O)O CPD-11623 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(C[C@H](C[C@]2(C)C)OC3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)C)\C)\C)/C)/C CPD-11472 C1C(NC(=S)S1)C(=O)[O-] CPDQT-331 CCC[n+]1c(cc[nH]c1=O)N CPD0-1921 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)OC3C(C(C(C(O3)C(=O)[O-])O)O)O)N CPD-11401 CCCCCCCCC(=O)OC(C)C(O)OC(=O)CCCCCCC CPD0-1816 c1cc(c(cc1Oc2c(cc(cc2I)CC(C(=O)[O-])[NH3+])I)I)OS(=O)(=O)[O-] CPD-11408 CCCCCCCC(=O)OCC(C(C)O)OC(=O)CCCCCCC CPD0-1762 C(CCNC(=O)CC(CC(=O)O)(C(=O)O)O)CNCCCN CPD-11479 CC/C=C\CC1C(CCC1=O)CCCC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc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c1c[nH]c(=O)[n+](c1N)CCCO CPD0-1924 COc1cc(cc(c1O)O)/C=C/C(=O)NCCCCN(CCCNC(=O)/C=C/c2cc(c(c(c2)OC)O)O)C(=O)/C=C/c3cc(c(c(c3)OC)O)O CPD-11667 C/C(=C\CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)/C)/CCC=C(C)(C)O CPD-11467 Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/c2ccc(c(c2C)C)CO)/C)/C CPD-11459 CSCCCCCCCCC(C(=O)O)N CPDQT-277 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)OC3C(C(C(C(O3)C(=O)[O-])O)O)O CPD-11411 c1cc(c(cc1C[C@@H](C(=O)[O-])[NH3+])I)Oc2ccc(c(c2)I)O CPD-11395 CC/C=C\CC1C(CCC1=O)CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11525 C1CC[NH2+][C@H](C1)C(=O)[O-] CPD-11619 C/C/1=C\CC(/C=C/C(/C(=C/CC1)/C)O)(C)C CPD-11422 CC/C=C\CC1C(CCC1=O)CCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11518 CC(=O)NCCC[NH2+]CCCC=O CPD-11271 CS(=O)CCCCCC/C(=N/OS(=O)(=O)[O-])/SC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-288 CC1OC([C@H]([C@@H]([C@@H]1O)O)O)OC(C(O)(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(CC(C[C@]2(C)C)O)C)\C)\C)/C)/C)/C CPD-11450 CS(=O)CCCCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-295 Cc1cc(cc(c1c2cc(cc(=O)o2)OC)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O CPD-11557 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)C=C(C1=O)OC)/C)/C)/C)/C)/C)C CPD-11655 CC/C=C\CC1C(CCC1=O)CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11520 C[C@]12CCCC([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@@H](C3)C4)(C)O)(C)C CPD-11425 CSCCCCCCC/C(=N/O)/SCC(C(=O)O)N CPDQT-409 c1cc(ccc1OCC(=O)[O-])Cl CPD-11597 c1ccc2c(c1)c(c[nH]2)CSCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPDQT-425 CSCCCCC(=O)C(=O)[O-] CPDQT-27 O[As]1O[Sb](O[Sb](O1)O)O CPD0-1918 c1cc2c(cc1C(=O)[O-])C(=O)CC[C@]23[C@H]([C@H](C(O3)O)O)O CPD-11419 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/CC(O)(C)C)\C)\C)\C)/C)/C CPD-11446 Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Fe+3](n2c(c1CCC(=O)[O-])/cc/6\nc(\c5)C(=C6CCC(=O)[O-])C)Cl)C)C=C)C(=C3C=C)C CPD-11678 C(CCNC(=O)CC(CC(=O)NCCCC[NH2+]CCC[NH3+])(C(=O)[O-])O)C[NH2+]CCC[NH3+] CPD-11480 CC1C2C[C@@H](O1)N3C[C@](Cc4cn(c(=O)[nH]c4=O)[C@H]5CC(C(O5)COP(=O)(O2)O)OP(=O)(O)O)(C(=O)NC3=O)C CPD-11642 c1[nH]c2c(n1)c([n+](cn2)CCCO)N CPD0-1926 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)OS(=O)(=O)[O-])I)I)CC(C(=O)[O-])[NH3+] CPD-11407 CSCCCCCCC/C(=N\O)/SC1C(C(C(C(O1)O)O)O)CO CPDQT-418 c1cc(c(c(c1)O)N)C(=O)CC(=O)C(=O)[O-] CPD-11552 C1CC([NH2+]C1)C(=O)N CPD-11621 CSCCCCCC(=O)C(=O)[O-] CPDQT-28 CSCCCC/C(=N/O)/S CPDQT-411 CSCCCCC(CC(=O)[O-])(C(=O)[O-])O CPDQT-32 CCCCCCCC(=O)NCC(CO)OC(=O)CCCCCCC CPD0-1808 CSCCCCCC(C(C(=O)[O-])O)C(=O)[O-] CPDQT-38 CC(C)C[C@@H](C(=O)O)NC(=O)C(CNC(=O)/C=C/C(=O)OC)N CPD0-1906 c1ccoc(=O)c1 CPD-11706 c1cc(ccc1O)Oc2ccc(cc2I)CC[NH3+] CPD-11405 CC[C@H](CC[C@@H](C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(C)C CPD-11608 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)I)I)C[C@@H](C(=O)[O-])[NH3+] CPD-11398 CC(C(=O)NCC=O)NC(=O)CCC(C(=O)[O-])[NH3+] CPD0-1891 c1ccc2c(c1)c(cc(=O)[nH]2)C(=O)[O-] CPD-11292 CC(C)c1cccc(c1O)C(C)C CPD-11437 CC(C)CCC[C@](C)(C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O 2-HYDROXY-CHOLESTEROL C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O CPD-11291 c1ccc2c(c1)c(c[nH]2)/C=C/C(=O)O CPD-11578 c1[nH]c2c(n1)c([n+](cn2)CCO)N CPD0-1925 c1cc(ccc1NC(=O)C2CCCN2)[N+](=O)[O-] CPD-11635 CSCCCCCCCC(C(C(=O)[O-])O)C(=O)[O-] CPDQT-40 C[C@]12CCC3C(C1[C@H](C[C@@H]2O)O)CCC4=CC(=O)CC[C@]34C CPD-11588 CSCCCCCCCC(=O)C(=O)[O-] CPDQT-30 CCCCCCCCSCC(CO)SCCCCCCCC CPD0-1809 CS(=O)CCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-280 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(O)C(O)(C)C)\C)\C)\C)/C)/C CPD-11448 c1ccc(c(c1)CC(=O)[O-])O CPD-11495 C1C[C@@H](C[NH2+]C1)C(=O)[O-] CPD-11627 CSCCCCC(C(C(=O)[O-])O)C(=O)[O-] CPDQT-37 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O[P@@](=O)([O-])OCC[NH3+])O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD-11653 Cc1cnc2c(n1)c(=O)[nH]c(n2)N CPD0-1715 CSCCCCC/C(=N/O)/SCC(C(=O)O)N CPDQT-407 c1ccc(c(c1)CC(C(=O)O)N)F CPD0-1901 CSCCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-286 CCCCCCCCCCCCCCCO CPD-11595 CCCCCCCCOCC(CO)OCCCCCCCC CPD0-1810 Cc1cc(cc(c1C(=O)Cc2cc(cc(=O)o2)[O-])O)O CPD-11554 CSCCCCCC/C(=N/O)/S CPDQT-413 Cn1c(=O)c2c(nc[nH]2)nc1N CPD0-1932 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N CPD0-1883 CC/C=C\CC1C(CCC1=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11529 c1ccc(cc1)CC(C(=O)[O-])Nc2c[nH]c3c2cccc3 CPD-11559 Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Fe+3]n2c(c1CCC(=O)[O-])/cc/6\nc(\c5)C(=C6CCC(=O)[O-])C)C)C=C)C(=C3C=C)C CPD-11675 CCCCCCCC(=O)OCC(C(=O)N)OC(=O)CCCCCCC CPD0-1807 C(CC(=O)N)[C@H](C(=O)N)[NH3+] CPD-11638 c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(cc2)O CPD-11428 c1[nH]c2c(n1)C3=NCCN3C=N2 CPD0-1928 c1ccc(cc1)CC(=O)NCC(=O)[O-] CPD-11715 c1ccc2c(c1)c(c[nH]2)CSCC(C(=O)O)N CPDQT-427 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N CPD-11560 C=CCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPDQT-273 c1cc(cc(c1)[N+](=O)[O-])C(=O)CC(C(=O)O)N CPD-11569 C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)(C)C CPD-11533 CC(=CCC[C@]1([C@H]2CCC(=C)[C@@H]1C2)C)C CPD-11287 CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)OC)/C)/C)/C)C CPD-11469 Cc1ccc(c(c1C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/c2ccc(c(c2C)C)C(=O)[O-])/C)/C CPD-11460 CSCCCCCC/C=N/O CPDQT-405 Cc1c(c(c(cc1)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/c2c(c(c(cc2)C)C)C)\C)\C)/C)/C)C)C CPD-11457 Cc1c2/cc/3\nc(/cc\4/c(c(/c/5c/c6n/c(c\c7c1CCC(=O)[O-][Fe+3]8n9c1/cc/%10\nc(/cc/%11\n8/c(c\c8n/c(c\c9c(c1C)CCC(=O)[O-])/C(=C8C)CCC(=O)[O-][Fe+3](=N54)n27)/c(c%11C=C)C)C(=C%10C=C)C)/C(=C6C)CCC(=O)[O-])C)C=C)C(=C3C=C)C CPD-11680 c1cc(ccc1CC[NH+]2CCN(CC2)C/C=C/c3ccc(cc3)Cl)C(=O)[O-] CPD-11445 CC1CCC23C1CC(C2(C)C)CCC3=C CPD-11415 CC/C=C\CC1C(CCC1=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-11521 CSCCCCC/C=N/O CPDQT-343 c1cc(c(cc1C(=O)NCCC[NH2+]CCCCNC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)O)O CPD-11477 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)[O-])O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-11685 C[C@]12CCC3C(C1CC[C@@H]2O)C[C@H](C4=CC(=O)CC[C@]34C)O CPD-11570 CCCCCCCC(=O)OCC(CCO)OC(=O)CCCCCCC CPD0-1760 CC1=C([C@@](C[C@@H](C1)OC2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(C[C@H](C[C@]3(C)C)OC4O[C@H]([C@@H]([C@H]([C@@H]4O)O)O)CO)C)\C)\C)/C)/C CPD-11471 CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD-11652 C1CN[C@H](C[NH2+]1)C(=O)N CPD-11625 c1ccc2c(c1)c(c[nH]2)CN=C=S CPDQT-429 c1cc2c(cc1OC3C(C(C(C(O3)C(=O)O)O)O)O)c(c[nH]2)CCO CPD-11673 COc1cccc2c1c(c[nH]2)C/C(=N\OS(=O)(=O)[O-])/[S-] CPDQT-432 CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C TRANS-CIS-UNDECAPRENYL-GROUP C/C/1=C\CC(/C=C/C(=O)/C(=C/CC1)/C)(C)C CPD-11421 C1C(=Nc2c(nc(nc2O)N)N1)C(=O)N CPD0-1717 CSCCCCCC/C(=N\OS(=O)(=O)[O-])/SC1C(C(C(C(O1)O)O)O)CO CPDQT-420 CSCCCCCCCC/C(=N/O)/S CPDQT-415 CC(=CCCC1(C2CC3C1(C3C2)C)C)C CPD-11377 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C\c4ccccc4)O CPD-11549 C1C=Nc2c(=O)[nH]c(nc2N1)N CPD0-1718 CN(CC(=O)[O-])C(=O)C[NH3+] CPD0-1914 COc1cc(ccc1O)C(CO)O CPD-11497 c1cc(c(cc1C(=O)[O-])Cl)Cl CPD-11224 CC1=C(C(=O)OC1C(C(=O)[O-])Cl)Cl CPD-10851 c1cc(cc(c1)Cl)O CPD-10868 CCN(CC)Cc1cc(ccc1O)Nc2ccnc3c2ccc(c3)Cl CPD-10889 c1cc(ccc1N)N CPD-10835 C[C@@H]([C@@H](C1[C@H]([C@H](C[C@](O1)(C(=O)[O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O)NC(=O)C)NC(=O)C)O CPD-10755 C(C(=O)/C=C(\C(=O)[O-])/Br)C(=O)C(=O)[O-] CPD-11251 C1C=CC(C=C1)CC(C(=O)O)N CPD0-1557 c1cc(c(cc1Cl)C(=O)[O-])Cl CPD-10860 C[C@@]1(OC[C@@H]([C@]1(O)O)O)O CPD-10776 C(CSCC(C(=O)[O-])[NH3+])C(C(=O)[O-])[NH3+] CPD0-1563 C1CC(OC1)C(=O)[O-] CPD0-1572 CC1=C(OC(=O)C1)CC(=O)[O-] CPD-10825 c1cc(ccc1C[C@@H]([C@@H]([C@@H](CO[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-]P(=O)([O-])OP(=O)([O-])[O-])O)O)O)O)O)NCc3cnc4c(n3)c(=O)nc([nH]4)N CPD-10771 CC1=C(C(OC1=O)CC(=O)[O-])Cl CPD-10849 c1c(c(cc(c1Cl)Cl)Cl)OCC(=O)[O-] CPD-10896 C1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O CPD-10726 C1[C@@H]([C@H](C(O[C@@]1(C(=O)[O-])O)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O CPD-10735 CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C(F)(F)F CPD0-1585 CC(CC(=O)[O-])C(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10832 C(C(C(=O)[O-])[NH3+])P(=O)(O)[O-] CPD0-1615 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H]([C@H]2O)O)O)O)O)O)O)O)O CPD-10816 CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-] CPD-11235 COc1c(ccc(c1C(=O)[O-])Cl)Cl CPD-11248 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.[Mg+2] CPD0-1634 CCCCCCCCCCCC(=O)[C@H](CC)O CPD-10787 Cc1c(nc2c(n1)[nH]c(nc2=O)N)C(C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O CPD-10763 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1 CPD0-1629 c1cc(c(c(c1)Cl)[O-])Cl CPD-10865 C[C@@]1(C(=O)[C@H](CO1)O)O CPD-10773 C[C@H]1[C@@]23C([C@@]([C@@H](C2)[C@](CC3)(O)C)(C)C)CC1 CPD-10756 c1c([nH]cn1)CC(CF)(C(=O)O)N CPD-10901 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OC1C(C(C(C(O1)CO)O)O)O)/C)/C)/C)/C)/C)/C)C CPD1G-69 C[C@]1(C(=O)[C@H](CO1)O)O CPD-10775 c1ccc(cc1)SC[C@H](C(=O)[O-])[NH3+] CPD0-1566 c1cc(c(cc1Cl)Br)O CPD-10867 CN(C)CCOC(c1ccccc1)c2ccccc2 CPD-10890 C(CC(CF)(C(=O)O)N)CNC(=N)N CPD0-1662 C([C@H]([C@H]([C@@H]([C@@H](C(=O)N)O)O)O)O)O CPD0-1655 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 CPD0-1606 C[C@H](C(=O)[O-])O[C@H]1[C@@H]([C@H](OC([C@@H]1[NH3+])O)CO)O CPD0-1520 C/C(=C/C(=C(\C(=O)[O-])/Cl)/Cl)/C(=O)[O-] CPD-10841 Cc1c(nc2c(n1)[nH]c(nc2=O)N)C(C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)ON[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O CPD-10764 c1cc(c(cc1Cl)C=O)Cl CPD-10859 C(=C(\C=C(/C(=O)[O-])\F)/Cl)\C(=O)[O-] CPD-10882 C(CC([C@@H](C(=O)O)N)O)[C@@H](C(=O)O)N CPD0-1535 C/C(=C(/C=C(\C(=O)[O-])/Cl)\Cl)/C(=O)[O-] CPD-10852 C1[C@H]([C@H]([C@@H]([C@@](O1)(CO)O)O)O)O CPD-10725 Cc1ccc(c(c1)Cl)Cl CPD-10838 C1=C(C=C([C@]([C@H]1O)(O)Cl)Cl)C(=O)[O-] CPD-11225 c1c(cc(c(c1O)O)Cl)F CPD-10876 C1CC(=O)[C@@H]([C@H]1CC(=O)[O-])C/C=C\CCO CPD-11253 CC1(C=C(C(=O)O1)Cl)C(C(=O)[O-])Cl CPD-10861 CCCCc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N CPD0-1590 COC(=O)[C@H](Cc1cnc[nH]1)N CPD-10907 CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)NC([C@H](C)CC)C(=O)[O-] CPD-11232 C1CS(=O)CCC1(CC(=O)C(=O)[O-])C(=O)[O-] CPD0-1524 [Pb+2] PB+2 [O-]S(=O)(=O)[O-].[Ni+2] CPD0-1696 c1cc(ccc1C(=O)[O-])I CPD-11214 C1(C(N1)C(=O)O)C(=O)O CPD0-1616 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H](C(O4)OP(=O)([O-])[O-])O)O)O)O)N CPD-10794 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.[Mg+2] CPD0-1651 Cc1c(cnc(c1O)C)CO CPD0-1605 Cc1cccc2c1[nH]cc2C[C@@H](C(=O)[O-])[NH3+] CPD0-1544 C(=C(\C(=O)[O-])/F)\C=C(/C(=O)[O-])\Cl CPD-10881 C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)O)O)O)O CPD-10730 CC1=CC(=O)OC1CC(=O)[O-] CPD-10824 [H]/N=C/1\N(CC(=O)N1P(=O)([O-])[O-])C CPD-10788 CCCCCCCC(=O)NC1CCOC1=O CPD-10785 Cc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)[N+](=O)[O-] CPD0-1586 C/C(=C/C(=O)CC(=O)C(=O)[O-])/C(=O)[O-] CPD-11249 C1=C(O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)[O-])O)O)O)C(=O)[O-] CPD-11241 c1c(c(nc(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)[Hg]Cl CPD0-1711 c1cc2cccn(=O)c2c(c1)O CPD0-1633 c1cc(ccc1C(N[C@@H](CCC(=O)[O-])C(=O)[O-])O)N(Cc2ccc3c(c2)c(=O)[nH]c(n3)N)C=O CPD0-1574 Cc1c[nH]nc1 CPD0-1652 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-10740 Cc1cc(ccc1Cl)Cl CPD-10837 C(=C\C(=O)[O-])\C=C(/C(=O)[O-])\F CPD-10879 C(CC(C(F)F)(C(=O)[O-])N)CNC(=[NH2+])N CPD0-1663 CCCCCCCCCCCC1=C(C(=O)c2ccccc2C1=O)C CPD0-1689 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)Br)O CPD-11218 CC1=C([C@H]([C@H](C(=C1)Cl)O)O)Cl CPD-10857 C[C@](Cc1cnc[nH]1)(C(=O)O)N CPD-10906 [Cl-].[Cl-].[Ca+2] CPD0-1589 C(CC(=O)C=[N+]=N)C(C(=O)[O-])[NH3+] CPD0-1627 CC1=C(C(OC1=O)C(C(=O)[O-])Cl)Cl CPD-10850 c1c(cc(c(c1O)O)Cl)C(=O)[O-] CPD-11222 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-] CPD-10894 CCCC=C(C(=O)[O-])OP(=O)([O-])[O-] CPD0-1554 c1cc(c(cc1CC(=O)[O-])Cl)O CPD-10862 c1ccc2c(c1)c(c3c(n2)CCCC3)N CPD-10887 CCCC(=O)OCC[N+](C)(C)C CPD0-1675 CC1=C/C(=C(\C(=O)[O-])/Cl)/OC1=O CPD-10842 CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)N[C@@H]([C@@H](C)CC)C(=O)[O-] CPD-11259 COc1cc(ccc1O)c2c(c(=O)c3c(cc(cc3o2)[O-])O)OS(=O)(=O)[O-] CPD-10900 CN[C@H](CC(=O)O)C(=O)O CPD-10705 C/C(=C\1/C=C(C(=O)O1)Cl)/C(=O)[O-] CPD-10847 [B-](O)(O)(O)O CPD-10778 c1c(cc(c(c1C(=O)[O-])O)Br)O CPD-11246 C=C(C=O)[O-] CPD-10807 C[C@H]1[C@@H]([C@@H]([C@H](C(O1)O)NC(=O)C)O)NC(=O)C CPD-10753 C(=C(\C=C(\C(=O)[O-])/O)/C(=O)[O-])\C(=O)Cl CPD-11223 Cl[Fe]Cl CPD0-1694 C1CS(=O)C=CC1(CC(=O)C(=O)[O-])C(=O)[O-] CPD0-1525 CCc1c(c(nc([nH+]1)N)N)c2ccc(cc2)Cl CPD0-1583 C[C@H]1C(=Nc2c([nH]c(nc2=O)N)N1)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O CPD-10789 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-10713 C(/C=C\C(C(=O)[O-])O)Cl CPD-11169 C(C(=O)C=O)OP(=O)([O-])[O-] CPD-10793 CC(=O)[C@H]([C@@H](C[C@@H](C(=O)[O-])[NH3+])O)O CPD-10792 c1cc(c(cc1SC#N)C(=O)[O-])[N+](=O)[O-] CPD0-1642 C(=C\C(=O)[O-])\C(=C/C(=O)Cl)\[O-] CPD-10821 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)I)O CPD-11219 C1[C@H]([C@H]([C@H](O[C@@H]1C(=O)[O-])[C@@H](C[NH3+])O)O)O CPD0-1647 c1cc(ccc1NNC(C#N)C#N)OC(F)(F)F CPD-10715 c1ccc(cc1)CSC[C@H](C(=O)[O-])[NH3+] CPD0-1565 CC1=C(C=C([C@H]([C@H]1O)O)Cl)Cl CPD-10856 CC(=O)N[C@@H](CCCCNP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)N)O)O)C(=O)OC GMP-LYSINE-PHOSPHORAMIDATE c1cc(c(cc1Cl)CO)Cl CPD-10858 CC(C1C2N(C1=O)C(=C(S2)C[NH3+])C(=O)[O-])O CPD0-1545 c1cc(c(cc1C[C@@H](C(=O)[O-])[NH3+])I)Oc2cc(c(c(c2)I)O)I CPD-10813 C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O CPD-10723 C1[C@@](N1)(CCC[C@@H](C(=O)[O-])[NH3+])C(=O)[O-] CPD0-1537 C/C=C(\C)/C=C/C=C/[C@@H]([C@@H](C)[C@H]([C@@H](C)CCc1c(c(=O)c2c(cc(c(c2o1)O)OC)OC)C)OC)OC CPD0-1686 C([C@@H]([C@@H](C(=O)[O-])O)C(=O)[O-])C(=O)[O-] CPD-10748 Cl[Fe](Cl)Cl CPD0-1693 C(=C(\C=C(/C(=O)[O-])\Cl)/F)\C(=O)[O-] CPD-10880 CCOC(=O)C(C#C)O CPD0-1604 C[C@@H]([C@@H](C1[C@H]([C@H](C[C@](O1)(C(=O)[O-])O)O)NC(=O)C)NC(=O)C)O CPD-10754 CC\1=CC(=O)O/C1=C/C(=O)[O-] CPD-10834 [B@]1(O[C@]2([C@@](O1)(OC[C@@H]2O)C)O)(O)O CPD-10777 C(C(C(=O)[O-])[NH3+])[Se][Se]CC(C(=O)[O-])[NH3+] CPD0-1562 c1cc(ccc1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)NCc3cnc4c(n3)c(=O)nc([nH]4)N CPD-10766 CCCCCC(/C=C/C=O)O CPD-10806 Cc1ccc(cc1C)O CPD-10888 C=C(C(=O)[O-])O[C@H]1CCC=CC(=C1)C(=O)[O-] CPD0-1681 c1c(c(cc(c1Cl)Cl)Cl)[O-] CPD-10895 COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N CPD0-1581 CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C3CCC(CC3)C(=O)C CPD0-1584 CCCC(C(=O)O)NC(=O)C CPD0-1641 C1C(NCS1)C(=O)O CPD0-1571 CC(C)c1cc(cc(c1O)C(=O)[O-])O CPD-11247 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[C@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)O)O)C(=O)[O-])O)O CPD-10737 c1nc(c2c(n1)n(cn2)C3C(C(/C(=C\C(CCC(C(=O)[O-])[NH3+])[NH3+])/O3)O)O)N CPD0-1631 C([C@H]([C@@H](C(=O)[O-])O)C(=O)[O-])C(=O)[O-] CPD-10745 CSCCC(C(=O)[O-])NC(=O)Cc1c[nH]c2c1cccc2 CPD-11228 CCCSC[C@H](C(=O)[O-])[NH3+] CPD0-1568 CC(CC(=O)[O-])C(=O)CC(=O)[O-] CPD-10826 C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD0-1665 C/C=C/C=C/C(=O)N[C@@H](CC(=O)N[C@@H](C(C)C)C(=O)[C@H]1[C@@H](C(=O)NC1=O)C)c2ccccc2 CPD0-1598 [C-]#N.[Na+] CPD0-1610 CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)N[C@@H](CC(C)C)C(=O)[O-] CPD-11234 COc1cc(ccc1OS(=O)(=O)[O-])c2c(c(=O)c3c(cc(cc3o2)[O-])O)OS(=O)(=O)[O-] CPD-11018 CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(=O)C CPD-11268 C/C(=C\C=C\C(=O)C)/CO CPD-10732 CC1=CC[C@H](CC1)[C@](C)(CCC=C(C)C)O CPD-10759 C#CC(CCCNC(=N)N)N CPD0-1660 C[C@@H]([C@H](c1cnc2c(n1)c(=O)nc([nH]2)N)O)O CPD-10819 C(C[C@@H](C(=O)[O-])[NH3+])[C@@H]([C@H](C(=O)[O-])[NH3+])F CPD0-1532 CC(=O)[C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O CPD-10791 C([C@@H](C(=O)[O-])NC(=O)CP(=O)(O)[O-])C(=O)[O-] CPD0-1617 c1ccc2c(c1)c(c[nH]2)CC(=O)N3CCCC3C(=O)[O-] CPD-11231 C([C@H]([C@H](C(=O)[O-])O)C(=O)[O-])C(=O)[O-] CPD-10747 c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)COP(=O)([O-])[O-])O)O CPD0-1635 c1cc2ccc3cccn(=O)c3c2nc1 CPD0-1609 C(/C=C/C(CF)(C(=O)O)N)NC(=N)N CPD0-1664 C[C@@H]1CCC2[C@]13CC[C@](C(C3)C2(C)C)(C)O CPD-10757 CC(=O)Nc1nnc(s1)S(=O)(=O)N CPD0-1626 C(COCC(C(=O)O)N)N CPD0-1701 C(C(C(=O)[O-])[NH3+])[Se] CPD0-1561 CCCCCCCC(=O)NC(CCO)C(=O)[O-] CPD-10805 C(CC(CF)N)CNC(=N)N CPD0-1661 CSC[C@H](C(=O)[O-])[NH3+] CPD0-1570 C1[C@@H](OP(=O)(O1)[O-])[C@H](C2=Nc3c(=O)[nH]c(nc3NC2)N)O CPD-10812 *C(=O)OCC(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)OC(=O)* CPD0-1630 CCCC(=O)NC1CCOC1=O CPD-10784 C([C@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)O CPD-10729 c1ccnc(c1)CCN CPD-10829 C[C@@H]1CC[C@@H](C2=CC(=CC[C@@H]12)C)C(C)C CPD-10707 CC(CC(=O)[O-])(C(=O)[O-])[NH3+] CPD0-1614 C/C(=C(/C(=O)CC(=O)[O-])\Cl)/C(=O)[O-] CPD-10845 CC(=C)CCOP(=O)([O-])[O-] CPD-10818 CC\1=C(C(=O)O/C1=C/C(=O)[O-])Cl CPD-10848 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCOCC4)[O-])O)O)N CPD-11209 c1cc(ccc1C[C@@H]([C@@H]([C@@H](CO)O)O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N CPD-10768 C1=C(C=C([C@H]([C@H]1O)O)Cl)C(=O)[O-] CPD-11220 CCCCSC[C@H](C(=O)[O-])[NH3+] CPD0-1567 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSCC(=O)[O-])O CPD0-1673 C(=C\C(C(=O)[O-])Cl)\C(C(=O)[O-])O CPD-11019 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-] CPD-10893 c1cc(ccc1C(=O)[O-])Br CPD-11213 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H](C=O)O[C@H](C=O)n2ccc(=O)[nH]c2=O)CO)O)O CPD-10742 c1ccc2c(c1)c(c[nH]2)CC(=O)NC(Cc3ccc(cc3)O)C(=O)[O-] CPD-11229 C[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C)O)[NH3+] CPD-10751 Cn1ccnc1 CPD-11021 Cc1cc(nc(n1)NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)C CPD0-1692 C([C@H]([C@@H]([C@H](COP(=O)([O-])[O-])O)O)O)Nc1c(c(=O)[nH]c(n1)N)N CPD-10809 C(C(C(=O)O)N)S(=O)(=O)N CPD0-1540 Cn1cnc-2c(nnc2c1N)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O CPD0-1653 CCC(=O)NCCCC[NH2+]CCCNC(=O)CC CPD0-1685 C(=C\C(=O)Cl)\C=C(/C(=O)[O-])\O CPD-11210 COc1ccc(cc1OCc2ccccc2)Cc3cnc(nc3N)N CPD0-1591 Cc1c(c(nc(n1)N)N)OCCCOc2ccccc2C(F)(F)F CPD0-1587 Cc1ccc(cc1Cl)Cl CPD-10836 CN(C)c1ccc2c(c1)sc-3cc(=[N+](C)C)ccc3n2 CPD0-1625 C[C@@H](C(=O)[O-])O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)([O-])[O-])CO)O CPD0-1643 CC1=CC/C(=C(/C)\CCC=C(C)C)/CC1 CPD-10758 C([C@@H]([C@H](C(=O)[O-])O)O)[C@@H](C(=O)[O-])O CPD0-1612 c1c(c(nc(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)[Hg] CPD0-1712 Cc1cc(c(cc1C)N)N CPD-11237 C(/C=C/CN)C(C(=O)O)N CPD0-1700 C[NH2+][C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@H]([C@@H]([C@@H](C(O4)[C@@H](CO)[NH3+])O)O)O)OP(=O)([O-])[O-])[NH3+] CPD-10790 CC(C)(C)C=O CPD0-1678 C(C[C@@H](C(=O)[O-])[NH3+])[C@H]([C@@H](C(=O)[O-])[NH3+])F CPD0-1530 CC1(C=CC(=O)O1)CC(=O)[O-] CPD-10823 c1ccc(cc1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD0-1667 c1c(=O)[nH]c(=O)n(n1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O CPD0-1601 C/C(=C\C=C\CC=O)/CO CPD-10731 CCCC(=O)CC(=O)NC1CCOC1=O CPD-10780 Cc1cc(cc(c1O)C(=O)[O-])O CPD-11245 Cc1c(sc(n1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O CPDQT-400 CCCC(=O)CC(=O)NC(CCO)C(=O)[O-] CPD-10804 c1ccc2c(c1)c(c[nH]2)CCCC(=O)[O-] CPD-10507 C1C(Nc2c(=O)[nH]c(nc2N1)N)C(=O)[O-] CPD0-1699 CCCCSC[C@H]1C[NH+](C[C@@H]1C)Cc2c[nH]c3c2ncnc3N CPD-10779 COP(=O)([O-])[O-] CPD-10815 C[C@H]1[C@@H]([C@@H](C([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C)O)NC(=O)C CPD-10752 CC[NH2+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CC CPD0-1684 C=C/C=C(\C(=O)[O-])/N CPD-11172 C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)O)O)[C@H]([C@H](CO)O)O)N)O CPD-10760 c1cc(c(c(c1)Cl)Cl)O CPD-10864 Cc1cc(c(c(c1Cl)O)O)Cl CPD-10855 c1cc(c(c(c1F)O)[O-])Cl CPD-10877 C([C@@H]1[C@H]([C@H]([C@@H](O1)Nc2c(c(=O)[nH]c(n2)N)NC=O)O)O)OP(=O)([O-])[O-] CPD-10808 C1=CC(=C[C@]([C@H]1O)(O)Cl)C(=O)[O-] CPD-11221 Cc1cc(c(c(c1O)O)Cl)Cl CPD-10840 C/C(=C(/C(=O)[O-])\Cl)/C(=O)CC(=O)[O-] CPD-10846 CCc1c(c(nc(n1)N)N)OCCCOc2ccc(cc2C(F)(F)F)S(=O)(=O)N CPD0-1594 c1ccc(cc1)OCC(=O)[O-] CPD-10902 C=C=CC(CCCNC(=N)N)N CPD0-1659 Cc1c(c(nc(n1)N)N)OCCCOc2cccc(c2)C(F)(F)F CPD0-1588 CCCCCC(=O)CC(=O)[O-] CPD-10799 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@H](C(=O)O)N CPD-11211 c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N(Cc2ccc3c(c2)c(=O)[nH]c(n3)N)C(=O)CBr CPD0-1576 c1ccc2c(c1)c(c[nH]2)CC(=O)NCC(=O)[O-] CPD-11226 C([C@@H](CCl)O)C(=O)C(=O)[O-] CPD-11020 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-10741 C/C=C(/C(=O)[O-])\OP(=O)([O-])[O-] CPD0-1555 CCCC(=O)NC(CCO)C(=O)[O-] CPD-10803 CCC(C)C(C(=O)[O-])NC(=O)Cc1c[nH]c2c1cccc2 CPD-11227 C1=C(C(=O)O[C@]1(CC(=O)[O-])F)Cl CPD-10884 C[C@H](CC(=O)NC1CCOC1=O)O CPD-10781 CCCCCCCCCC(=O)[C@H](CC)O CPD-10786 C(C[C@@H](C(=O)O)N)[C@@H]([C@H](C(=O)O)N)O CPD0-1536 C(CCC(=O)[O-])CC[C@@](CC(=O)[O-])(C(=O)[O-])O CPD-10749 C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])[NH3+])O)O)O CPD0-1646 c1cc(ccc1C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N CPD-10767 C1COCCO1 CPD0-1682 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]2O)O)O)CO)O)O)O)O CPD0-1669 c1ccc(c(c1)C(=O)[O-])Br CPD-11238 F[Al-](F)(F)F CPD0-1624 C1CC(=O)[C@H]([C@H]1CC(=O)[O-])C/C=C\CCO CPD-11260 CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)NC(C(C)C)C(=O)[O-] CPD-11233 C(C(C(=O)O)N)P(=O)(CP(=O)(O)O)O CPD0-1650 c1c(cc(c(c1O)O)F)Cl CPD-10878 C1CC(N(C1)C(=O)CN)C(=O)O CPD-10814 CCCCCC(=O)CC(=O)NC(CCO)C(=O)[O-] CPD-10800 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)N)O)O CPD0-1656 CC1=CC(=C([C@H]([C@H]1O)O)Cl)Cl CPD-10839 C/C(=C(/C(=O)[O-])\Cl)/C=C(\C(=O)[O-])/Cl CPD-10853 C/C(=C/C(=O)C(C(=O)[O-])Cl)/C(=O)[O-] CPD-10843 Cc1c(nc[nH]1)CCN CPD-10830 Cc1c(c(nc(n1)N)N)c2ccc(c(c2)Cl)Cl CPD-10891 c1cc(sc1)CC(C(=O)[O-])[NH3+] CPD0-1558 CC(C)SC1C(C(C(C(O1)COC(=O)C)O)O)O CPD0-1607 c1cc(ccc1C[C@@H]([C@@H]([C@@H](CO[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)NCc3cnc4c(n3)c(=O)nc([nH]4)N CPD-10770 C1=CC(=O)O[C@H]1[C@H](C(=O)[O-])F CPD-10883 C1[C@@H]([C@@H]([C@H]([C@](O1)(CO)O)O)O)O CPD-10727 CC(C)(C(C(=O)[O-])[NH3+])S CPD0-1577 [Cl-].[Cl-].[Ba+2] CPD0-1592 C1[C@@H]([C@H](C(O[C@@]1(C(=O)[O-])O)[C@@H]([C@@H](CO)O)O)O)O CPD-10734 C1[C@@H]([C@@H]([C@H]([C@@](O1)(CO)O)O)O)O CPD-10728 CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O CPD-10783 C(C[C@@H](C(=O)[O-])[NH3+])[C@@H]([C@@H](C(=O)[O-])[NH3+])F CPD0-1533 c1cc(cc(c1)O)/C=C/C(=O)[O-] CPD-10797 c1ccc(c(c1)O)Cl CPD-10866 CCCCCCCCCC(=O)CC(=O)NC(CCO)C(=O)[O-] CPD-10802 c1cc(ccc1C[C@@H]([C@@H]([C@@H](CO[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O)NCc3cnc4c(n3)c(=O)nc([nH]4)N CPD-10772 c1cc(ccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])N(Cc2ccc3c(c2)c(=O)[nH]c(n3)N)C(=O)CSCC(=O)NC4C(C(C(O4)OP(=O)([O-])[O-])O)O CPD0-1575 [C@H]([C@@H](C(=O)NO)O)([C@H](C(=O)[O-])O)O CPD0-1613 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-10712 c1cc(c(c(c1)O)O)/C=C/C(=O)[O-] CPD-10796 c1ccc(c(c1)C(=O)[O-])I CPD-11239 CC/C(=C/C(=O)CC(=O)C(=O)[O-])/C(=O)[O-] CPD-11250 C([C@H](C(=O)[O-])[NH3+])SSC[C@H](C(=O)[O-])[NH3+] CPD0-1564 C(CCC(=[NH2+])N)C[C@@H](C(=O)[O-])[NH3+] CPD0-1690 C[C@@H]1CC[C@@H](C2=CC(=C)CC[C@@H]12)C(C)C CPD-10708 C(C(=O)[O-])(C(F)(F)F)N CPD0-1636 C[N+](C)(C)C.[OH-] CPD0-1676 c1ccc2c(c1)c(c[nH]2)CC(C(=O)[O-])NC(=O)Cc3c[nH]c4c3cccc4 CPD-11230 c1ccc(cc1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD0-1668 CCCCCC(=O)CC(=O)NC1CCOC1=O CPD-10782 [O-]S(=O)(=O)[O-].[Mn+2] CPD0-1608 C[C@]1(OC[C@@H]([C@]1(O)O)O)O CPD-10774 Cc1c(cc(c(c1O)O)Cl)Cl CPD-10854 Cc1[nH]c(cn1)CCN CPD-10831 C(C(C(=O)[O-])[NH3+])C(=O)C=[N+]=N CPD0-1541 CC(C(=O)N)[NH3+] CPD0-1578 c1c(c(cc(c1O)Cl)O)O CPD-10898 c1cc(ccc1O)Cl CPD-10870 C[C@H](CC(=O)NC(CCO)C(=O)[O-])O CPD-10801 C(C[C@@H](C(=O)[O-])[NH3+])COC(=[NH2+])N CPD0-1691 CC(=O)NC1=COC(C(C1O)O)CO CPD-10762 CC(C(=O)/C=C(\C(=O)[O-])/Cl)C(=O)[O-] CPD-10844 CCCc1nc2ccc(nc2n1c3ccc(cc3)c4ccc(cc4)c5ccccc5Cc6[n-]nnn6)Cl CPD0-1708 C[C@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C)O CPD-10750 C1=C(O[C@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(=O)[O-])O)O)O)C(=O)[O-] CPD-11242 c1ccc(cc1)C(=O)c2ccc(cc2)C(=O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)n4cnc5c4ncnc5N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] CPD0-1552 Cc1c(cc2c(c1)N3=CN2[C@H]4O[C@H](C(C4O)OP(=O)(O[C@@H](CNC(=O)CC[C@]5(/C/6=C(/C7=N/C(=C\C8=N/C(=C(\C9=N[C@]([C@]([C@@H]9CCC(=O)N)(CC(=O)N)C)([C@@H]([C@@H]5CC(=O)N)N6[Co+2]3)C)/C)/[C@]([C@@H]8CCC(=O)N)(CC(=O)N)C)/[C@@]([C@@H]7CCC(=O)N)(C)C)\C)C)C)[O-])CO)C CPD-1829 Cc1c(cc2c(c1)N3=CN2[C@H]4O[C@H](C(C4O)OP(=O)(O[C@@H](CNC(=O)CC[C@]5(/C/6=C(/C7=N/C(=C\C8=N/C(=C(\C9=N[C@]([C@]([C@@H]9CCC(=O)N)(CC(=O)N)C)([C@@H]([C@@H]5CC(=O)N)N6[Co+3]3O)C)/C)/[C@]([C@@H]8CCC(=O)N)(CC(=O)N)C)/[C@@]([C@@H]7CCC(=O)N)(C)C)\C)C)C)[O-])CO)C AQUACOBIIIALAMIN Cc1cc2c(cc1C)N3C=N2[Co]456(N7=C8[C@H](C(C7=CC9=N4C(=C(C1=N5[C@@]([C@@H]2N6C(=C8C)[C@@]([C@H]2CC(=O)N)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]2[C@H](O[C@H]3[C@@H]2O)CO)[O-])C)C)([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]9CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)C CPD-9037 CC(C)OP(=O)([O-])OC(C)C DIISOPROPYL-PHOSPHATE c1c(cc(c(c1O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] TIRON CCCCCCCC/C=C/C/C=C/CCCCCCCCCCCCCCC=O CPD-8468 c1c(c(c(c(c1O)O)O)c2c(cc(c(c2O)O)O)C(=O)[O-])C(=O)[O-] CPD-8976 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)O)O)O)O)O)O)O)O CPD-1243 C(C(C(C(COP(=O)([O-])[O-])(C(=O)[O-])O)O)O)O 2-CARBOXY-D-ARABINITOL-1-PHOSPHATASE CC(C1[C@@]2([C@](C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)(C(C1)O)C=O)C)CCC=C(C)C CPD-4574 C(CC(=O)[O-])/C(=C\C(=O)[O-])/C(=O)[O-] CPD-149 CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)[O-])CC=C(C)C CPD-9635 c1ccc2c(c1)c(c[nH]2)C3=NC(CS3)C(=O)[O-] INDOLE-CARBOXY-HYDRO-THIAZOLE c1cc(c(cc1S(=O)(=O)[O-])O)O CPD-10418 OCl(=O)(=O)=O CPD0-1385 Cc1cccc(c1N)O CPD-9130 C(CC(=O)[O-])[C@@H]([C@H](C(=O)[O-])O)C(=O)[O-] HOMO-I-CIT [C@H]1(C(C(C(C2C1O2)O)O)O)O CPD0-1305 CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO CPD0-1358 c1cc(ccc1c2coc3cc(c(cc3c2=O)O)O)O CPD-6998 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4N)O 2-AMINOBENZOYL-COA CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/CCC(=O)[O-])O TRANS-23-DEHYDROADIPYL-COA C[C@@]12CC[C@@H]([C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C=O)(C)C(=O)[O-])O CPD-6227 CCCC[NH3+] BUTYLAMINE C[C@H]1[C@@H](C[C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O)O CPD-9701 CCCCCCCC/C=C\CCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8075 C/C=C\1/CN2[C@H]3C[C@H]1C4[C@@H]2CC5([C@@H]4OC(=O)C)C3=Nc6c5cccc6 VINORINE C\1[C@H](NC(=C/C1=C/C=[N+]/2\[C@@H](CC3=CC(=O)C(=O)C=C32)C(=O)[O-])C(=O)[O-])C(=O)[O-] CPD-8890 C/C=C/c1ccc(cc1)OC CPD-9930 CC1=CC[C@@H](C[C@H]1O)C(=C)C CPD-260 c1c(=O)[nH]c(=O)n(n1)C2C(C(C(O2)CO)O)O 6-AZAURIDINE [Na+].[Cl-] NACL COc1cc(ccc1O)[C@@H]2C3CO[C@@H](C3CO2)c4ccc5c(c4)OCO5 CPD-8921 CC1=C(C(CCC1=O)(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(=O)C(CC2(C)C)O)C)/C)/C CPD-7849 Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC(C(C)O)C(=O)N[C@H](C(C)C)C(N4CCC[C@H]4C(N(C)CC([NH+](C)C(C(C)C)C(O)O)O)O)O)N)C)C(=O)NC(C(C)O)C(=O)N[C@H](C(C)C)C([NH+]5CCC[C@H]5C(N(C)CC([NH+](C)C(C(C)C)C(O)O)O)O)O CPD-4681 CC(C1=CC[C@@H]2[C@@]3(C([C@@](CCC3)(C)C)CCC2=C1)C)C CPD-8695 Cc1c(cc(cc1[N+](=O)[O-])N)[N+](=O)[O-] CPD-10455 CC(Cc1ccccc1)[NH3+] CPD-7659 CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)[O-])/C)/C)C CPD-9913 C[C@H]1C=C[C@H](C=C1)CC[C@@H](C(=O)[O-])C CPD0-1481 C[C@]12CCCC(O1)c3c(cc4c(c3O)C(=O)c5c(cc(cc5O)[O-])C4=O)O2 CPD-10167 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C=C/c4ccc5c(c4)OCO5)O EE-PIPEROYL-COA c1cc(cc(c1)F)C=O CPD-8780 CC1=CC[C@]2(CC1)C(=C)CCCC2(C)C CPD-8241 CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/C(=O)C1=C(C(=O)c2ccccc2C1=O)C)/C)/C)/C)/C)/C)/C)/C CPD-9611 C(CC[NH2+]CC(=O)[C@@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H](C(=O)[O-])[NH3+] PSICOSELYSINE c1cc(ccc1[C@@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N CPD-7652 CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8425 CCC/C=C/1\C(=O)C(=C(O1)C)[O-] CPD-10208 C[C@@H](C(=O)C(=O)[O-])C(=O)[O-] METHYLOXALO-ACETATE CCC1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C METHYL-EPOXYTRIDECADIENOATE 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)/CCC=C(C)C UBIQUINONE-6 C(CC(C(=O)[O-])O)CC(=O)[O-] CPD-333 CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7762 c1c(cc(c(c1O)O)O)[C@@H]2C(Cc3c(cc(cc3O2)O)O)O CPD-10358 C[C@@H](C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)[C@H](CCC(C)C)O CPD-7189 CC(C)(CO)C(C(=O)NCCCO)O PANTOTHENOL c1cc(c(cc1O)O)C(=O)[O-] CPD-8815 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)C CPD-9457 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@H]2[C@@H]([C@H]([C@@H](C(O2)Oc3cc4c(cc(cc4[o+]c3c5ccc(c(c5)O)O)O)[O-])O)O)O)O)O)O CPD-7143 C(=C\C(=O)[O-])\C(=CC(=O)[O-])/C=C\C(=O)[O-] CPD-1069 CCCCC/C=C\C/C=C\C(C(CCCCCC(=O)[O-])O)O CPD-7113 [Mn+3] MN+3 c1cc(cc(c1)O)[N+](=O)[O-] CPD-9127 c1ccncc1 PYRIDINE c1ccc2c(c1)c(c[nH]2)CC(=O)O[C@@H]3[C@@H]([C@@H]([C@H]([C@@H]([C@H]3O)O)O)O)O CPD-165 c1ccc(cc1)C(C(=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])O CPD-8872 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9897 CCCCCCCCC1CC1CCCCCCCC(=O)[O-] DIHYDROSTERCULIC-ACID CC1=CC(=O)OC(C1(C)C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-868 CC1[C@@H]([C@H]([C@H](C(O1)OC2[C@H]([C@@H]([C@H](OC2Oc3cc(c4c(c3)OC(CC4=O)c5ccc(c(c5)O)OC)O)CO)O)O)O)O)O CPD-7074 CC/C=C\CCO CIS-3-HEXENOL CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O CPD-8049 C1=C(C(=C(C(C1O)O)Cl)Cl)Cl CPD-10628 COc1cc(ccc1O)c2c(c(=O)c3c(o2)cc(c(c3O)OC)OC)OC CPD-10529 C1C(=O)NCC(=O)N1 DIOXOPIPERAZINE C(CC(=O)[O-])C(=O)C(C(=O)[O-])N 2-AMINO-3-KETOADIPATE COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C/c2ccc(c(c2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/O CPD-6622 c1ccc(cc1)/C=C/C(=O)c2c(cc(cc2O)O)O CPD-6993 C[As](=O)(O)[O-] METHYLARSONATE C=CC[N@H+]1CC[C@]23CCCCC2[C@H]1Cc4c3cc(cc4)O CPD0-1413 C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)O)O CPD-663 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[O-])O CPD-8007 CC(=CCCC(C)(C=C)O)C 37-DIMETHYLOCTA-16-DIEN-3-OL C[c-]1c(=O)[nH]c(=O)[nH]c1=O 5-METHYL-BARBITURATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])[O-])O)N CPD-3706 c1ccc(cc1)C[C@H]2C(=O)NC(=O)N2 CPD-10019 C[N+](C)(C)CC(CC(=O)N)O CPD-573 COc1ccc2c(c1)OC(C(=O)N2)O CPD-6404 CC(C)C(=C)/C=C/C(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C ERGOSTA-572223-28-TETRAEN-3-BETA-OL C(CC[NH3+])CC[NH2+]CCC[NH3+] CPD0-1065 c1cc(ccc1CCO)O CPD3O-4151 c1cc(c(c(c1)S(=O)(=O)[O-])O)O 3-SULFOCATECHOL C[C@@H]1CC[C@H](OC(=O)C1)C(C)C CPD-10107 CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC CPD-7793 C1=C[C@@H]([C@H](C(=C1)C(=O)[O-])[NH3+])O CPD-9518 Cc1/c/2c/c3n/c(c\c4c(c(c/5n4[Mg]n2/c(/c1C=C)c\c6n/c(c5)/C(=C6C)C=C)C)C(CC(=O)OC)O)/C(=C3C)CCC(=O)[O-] 13-HYDROXY-MAGNESIUM-PROTOPORP CCc1ccc(cc1)CO 4-ETHYLBENZYL-ALCOHOL c1cc(c(cc1/C=C/c2cc(cc(=O)o2)[O-])O)O CPD-6989 CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C CPD1F-114 Cc1cc2c3c(c1)OCc3c(c(c2C(C)C)OC)O CPD-9528 *OCC(COP(=O)(O)O*)OC(=O)C 1-RADYL-2-ACETYL-SN-GLYCERO-3-PHOSPHOLIP Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O DTDP-4-DEHYDRO-6-DEOXY-D-GALACTOSE c1c(cc(c(c1I)[O-])I)CC(=O)C(=O)[O-] DIIODO-4-HYDROXYPHENYLPYRUVATE CCCCCCCCCCCCCCCCCC(=O)C CPD-7896 Cc1c(cc(cc1[N+](=O)[O-])N=O)[N+](=O)[O-] CPD-10453 Cc1cc(c(nc1O)O)O CPD-984 Cc1ccc2c(c1O)C(=O)c3c(cc(c(c3O)OC)O)C2=O CPD-9627 c1cc(ccc1C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NCC2CNc3c(c(=O)nc([nH]3)N)N2 CPD-9021 c1ccc2c(c1)C3C=CC=CC3C(=O)C2=O CPD-9192 [H][C@@H](Cc1ccccc1)C(=O)OC2CC3CCC(C2)N3C.O CPD-7996 C[C@@H]1[C@@H](N(c2c([nH]c(nc2=O)N)N1)C=O)C(C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](COC4[C@@H]([C@@H](C(O4)COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O CPD-22 C[C@@H]1CC[C@@H](C[C@@H]1O)C(=C)C CPD-10033 CC(=CCc1cc2c(cc1O)OC[C@@]3([C@H]2Oc4c3ccc(c4)O)O)C CPD-4404 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C CPD-7408 CC(C)CO ISOBUTANOL COC(=O)CCC(=O)[O-] CPD-3572 C[C@@H](C/C(=C\C(=O)N(C)[C@@H](Cc1ccccc1)c2nccs2)/OC)C(Cl)(Cl)Cl CPD-10375 c1cc2c(cc1[C@@H]3C4CO[C@@H](C4CO3)Oc5ccc6c(c5)OCO6)OCO2 CPD-8928 c1c[nH]cc(c1=O)O 3-HYDROXY-4H-PYRID-4-ONE C[C@@H](C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C CPD0-1456 C[N@@H+]1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=CC3[C@H]1C5)O)OC CODEINE C1[C@@H]([C@@H](C(O1)[C@@H](C=O)O)O)O CPD-8938 C[NH+]1CCc2ccccc2C1Cc3ccccc3 N-METHYL-RS-TETRAHYDROBENZYLISOQUINOL CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8413 c1[nH+]c(c(n1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)N)N 5-PHOSPHORIBOSYL-45-AMINOIMIDAZOLE CCCCCCCCC/C=C/CCCC(C(C(CO)[NH3+])O)O CPD-10693 C([C@@H]1[C@H]([C@@H](C(O1)(CO)O[C@@H]2[C@@H](C(=O)[C@@H]([C@H](O2)CO)O)O)O)O)O CPD-384 C=CCNC(=S)N ALLYLTHIOUREA c1ccc(cc1)/C=C\2/C(=O)c3c(cc(c4c3OCO4)O)O2 CPD-7034 CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])[O-])O S-ACETYLPHOSPHOPANTETHEINE CCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCC CPD-7917 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC CPD-7769 CCP(=O)(O)[O-] CPD0-1075 C(CN)[NH3+] CPD-3682 [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)[NH3+] CPD-1105 CC(=O)N(CCCC[C@@H](C(=O)[O-])[NH3+])O CPD-961 C[C@@H]1[C@H]([C@@H](C[C@H]([C@]12CC[C@H](C2)C(=C)C)C=O)O)O CPD-4744 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O CPD-8511 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2cc(c3c(c2)oc(c(c3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)c6ccc(cc6)O)O)O)O)O CPD1F-431 COC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)[O-])N L-TYROSINE-METHYL-ESTER-4-SULFATE CC1=C(C(CCC1=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)CCC2(C)C)C)\C)\C)/C)/C CPD-7851 C1C[C@H]([NH2+][C@H]1CC(=O)[O-])C(=O)[O-] CPD-9402 C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3ccc(cc3)O)O)OC R-N-METHYLCOCLAURINE C[C@@H](C=O)[NH3+] CPD-9375 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)[O-])OC4[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)O)O)O)O CPD-7842 CC[C@]12C[C@@]([C@H]3[C@@]4([C@H]1[NH+](CC4)CC=C2)c5ccc(cc5N3)OC)(C(=O)OC)O 16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON CC(=O)CC(=O)C CPD-8879 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)S(=O)(=O)[O-])C(=O)[O-])C CPD-9219 CCSC[C@@H](C(=O)[O-])[NH3+] CPD-9300 C1C2CC3CC(C2)(CC1C(=O)O3)O CPD-746 C1[C@H]([C@H]([C@H](OC1O)CO)O)O CPD-5861 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C/CCCCCCCCC)O)O CPD-9805 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)[NH3+])O)OP(=O)([O-])[O-] CPD-10225 [As+5] AS+5 c1cc(c(cc1[C@@H]2CCc3c(cc(c(c3O2)[C@H]4c5c(cc(c(c5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)C7c8c(cc(cc8O[C@@H]([C@H]7O)c9ccc(c(c9)O)O)O)O)O)O)O)O)O)O.O CPD-7632 CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD-3612 C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)[NH3+])O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)[NH3+])[NH3+] CPD-4823 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4CCC(=O)O4)O 36-LACTONE-OF-3-HYDROXYADINYL-COA C\1=C(C(=O)O/C1=C\C(=O)[O-])Cl TRANS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-E c1nc(c2c(n1)[n@@](cn2)C3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)[O-])[NH3+])[NH3+])O)O)N SINEFUNGIN Cc1c(sc[n+]1Cc2cnc(nc2N)C)CC(=O)[O-] CPD-7101 O=[U+2]=O CPD0-1437 C(C(C1C(=C(C(=O)O1)OP(=O)([O-])[O-])[O-])O)O 2-PHOSPHOASCORBATE CC1=C(C(=O)C(=C(C1=O)N)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)/CC/C=C(\C)/CCC=C(C)C CPD-9967 CC(=O)NCCCCC(=O)[O-] 5-ACETAMIDOVALERATE c1ccc2c(c1)ccc(n2)C(=O)[O-] QUINALDATE C[C@@H]1[C@@](O1)(CC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C(C)C CPD-51 CC(=O)Nc1ccccc1C(=O)[O-] N-ACETYLANTHRANILATE C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])C=O)C(=O)[O-] CPD1F-120 C[C@@H](C1CCC2[C@@]1(CCC3C2C[C@@H]([C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)O)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-724 c1ccc(cc1)[C@@H]([C@@H](C(=O)[O-])[NH3+])O CPD-644 CC(C=O)/C(=C\C(=O)C(=O)[O-])/[O-] CPD-9159 CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8420 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)C=O CPD0-1223 C(C[C@@H](C(=O)[O-])[NH3+])[C@H]([C@H](C(=O)[O-])[NH3+])Cl CPD0-1502 Cc1c(c2c3c(c1[O-])C(=O)/C(=C/C4C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)NC(=CC3=O)C2=O)/C)C)O)C)O)C)OC4O)C)O)/C)O CPD-10240 C(C(=O)[O-])[As](=O)(O)[O-] CPD-762 c1ccc2c(c1)CC(=O)OC2 ISOCHROMANONE COc1ccc(cc1O)CC[NH3+] CPD-7665 C(C(C(=O)[O-])[NH3+])S(=O)=O L-CYSTEINE_SULFINATE CS CPD-7671 CC[C@@H]1C[C@H]2[C@H](CCC2=O)C(=C1)C(=O)N[C@]3(C[C@@H]3CC)C(=O)[O-] CPD-7081 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(c(c5)O)O)O)CO)O)O)O)O)O LUTEOLIN-7-O-NEOHESPERIDOSIDE C[C@]1(CC2[C@]([C@@H](C1)O)(CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)C)O)C)C)C)C)C CPD-7609 CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C\CCCCCCCCC)O)O CPD-9812 COc1cc(cc(c1)O)/C=C/c2ccccc2 CPD-6964 CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)Cc3ccccc3)C)[C@@H](C)O)O)Cc4ccc(cc4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc5ccc(cc5)O)O)C CPD-10384 c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=Cc4c(cc(cc4O=C3c5ccc(cc5)O)O)O)O)O)O)O CPD-7384 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OC[C@@H](C(=O)[O-])[NH3+])CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O CPD-8545 c1ccc\2c(c1)CC(=O)/C2=C\C=C(\C(=O)[O-])/O 2OXO1YLIDENE Cc1c(c(no1)c2ccccc2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-] CPD-9224 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-7833 Cc1c(c2c3c(c1[O-])C(=O)/C(=C/C(C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)NC(=CC3=O)C2=O)/C)C)O)C)O)C)O)C)O)CO)/C)O CPD-10243 CC(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5C(C[C@H]7[C@@]6(CCC(C7)O)C)O)C CPD-10591 c1cc(=O)oc2c1cc3ccoc3c2 PHYTOALEXIN-CMPD CC(CC(=O)[O-])C(=O)[O-] CPD-2461 C[C@@H](CCC(=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 3-OXO-5-BETA-CHOLANATE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4Cl)Cl)O 24-DICHLOROBENZOYL-COA C(C(=O)C(=O)[O-])P(=O)(O)[O-] CPD-235 CCCCCC(=O)/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C/CCCC(=O)[O-])/O2)O 5Z13E-69-ALPHA-EPOXY-11-ALPHA-HYDROXPROS CC1=C[C@@H]2[C@@H](CCC(=C2CC1)C)C(C)C CPD-8793 C([C@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O)O CPD-541 C(C([C@@H](C(=O)[O-])[NH3+])O)C(=O)[O-] CPD-48 CC(=O)NCCCC=O CPD-30 COc1cc(cc(c1)OC)OC CPD-9500 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](OC2Oc3cc(c(c(c3)O)C(=O)CCc4ccc(c(c4)O)OC)O)CO)O)O)O)O)O CPD-7069 CCCC(=O)C PENTAN-2-ONE C(CC(=O)[O-])C(C(=O)[O-])NC=O FORMYL-GLU CC(C(C(=O)[O-])O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-9409 c1ccc(cc1)/C=C/C(=O)c2ccccc2 CHALCONE-CMPD Cc1c(c(c(c(c1O)O)OC)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C 2-HEXAPRENYL-3-METHYL-5-HYDROXY-6-METHOX CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O CPD-3604 c1c(cc(c(c1F)CC(=O)C(=O)[O-])F)O 26-DIFLUORO-4-HYDROXYPHENYLPYRUVATE C=C=CC(=O)C(=O)[O-] CPD-9734 c1cc(ccc1C(=O)CO)O CPD-242 c1ccc2c(c1)[nH]c(n2)c3cscn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n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-1161 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)O)O)O)O CPD1G-772 c1cc(cc(c1)[N+](=O)[O-])C=O 3-NITROBENZALDEHYDE C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(c(c4)O)O)[O-])O)O)O)O CPD-8013 Cc1cc2c(cc1Cn3cc(nc3)CC(C(=O)[O-])[NH3+])n(c-4nc(=O)[n-]c(=O)c4n2)CC(C(C(CO)O)O)O CPD-8703 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD1G-277 C[C@@H]1CC[C@@H]2[C@]13CC=C([C@H](C3)C2(C)C)C CPD-8776 c1cc(cc2c1cc-3c(=O)[n-]c(=O)nc3n2C[C@@H]([C@@H]([C@H](CO)O)O)O)O CPD-7602 C[C@H]1CC[C@H](COC1=O)C(=C)C CPD-10068 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8294 c1ccc(cc1)CC#N PHENYLACETONITRILE CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9725 CC(C)C=O CPD-7000 C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])OC[C@H]([C@H]([C@H](Cn1c2cc(ccc2cc-3c(=O)[n-]c(=O)nc13)O)O)O)O CPD-7613 C1C(C(C(C(O1)F)O)O)O CPD0-1203 CCCSc1ccc2c(c1)[nH]c(n2)NC(=O)OC ALBENDAZOLE CC(CCC=C(C)C)C1CCC(=C)C=C1 CPD-8247 CCNc1nc(nc(n1)O)O CPD-807 CC(C(=O)OC(COP(=O)(O)O)C(C(C(O)OP(=O)(O)OCC(C(C(C(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)N CPD-70 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)OC)/C=C/C=C(\C)/C=C/C(=O)[O-] CPD-7972 c1ccc(cc1)CC(C(=O)[O-])NC(=O)Cc2c[nH]c3c2ccc(c3)O CPD-9584 CCCCCCCCCCCC(=O)C CPD-7901 C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)O)O)OC 3-HYDROXY-N-METHYL-S-COCLAURINE CC(=O)C(C(C(C(COP(=O)([O-])[O-])O)O)O)O 1-DEOXY-D-ALTRO-HEPTULOSE-7-PHOSPHATE c1ccc(cc1)/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O TRANS-CINNAMOYL-BETA-D-GLUCOSE 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 DESMOSTEROL-CPD CC(C)C(=C)CCC(C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-700 COc1ccc2cccc(c2c1)C(=O)[C@H]3CC4CCN3C[C@@H]4C=C CPD-9832 c1cc(cc(c1)C(=O)[O-])C(=O)CCC2[C@@H]([C@@H](C(O2)O)O)O CPD-10484 c1cc(cc(c1)C(=O)[O-])C(=O)[O-] CPD0-1267 [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-])OP(=O)([O-])[O-])O CPD-6741 CCN(CC)c1ccc(cc1)/N=N/c2ccccc2C(=O)[O-] CPD0-1149 C[C@H](CC[C@H](C(C)C)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 CPD-10481 Cc1ccc(cc1)NO CPD-9146 CC(C)c1ccc2c(c1)CCC3[C@@]2(CCC[C@@]3(C)C(=O)[O-])C CPD-8725 CC(C)C(=O)c1c(c(c(c(c1O)CC=C(C)C)[O-])CC=C(C)C)O CPD-7107 C(/C(=C\C(=O)C(=O)[O-])/COP(=O)([O-])[O-])O CPD-7636 Cc1c(c2ccccc2[nH]1)C[C@@H](C(=O)[O-])[NH3+] CPD-392 C/C(=C/C=O)/CO CPD-4482 c1c(cc(c2c1C(=O)C(=O)C=C2[O-])O)O CPD-10679 C[C@@H](C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-717 c1ccc(c(c1)C(C(=O)[O-])[NH2+]CCNC(c2ccccc2O)C(=O)[O-])O EDDHA CCCC(=O)CC(=O)CCC NONANE-46-DIONE CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC 1-2-DIPALMITOYLPHOSPHATIDYLCHOLINE C(F)(Cl)(Cl)Cl CPD-8224 C[C@@H](C(=O)[O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc([nH]c3=O)N)O)O CPD-7601 C(/C=C\C(=O)C(=O)[O-])C(=O)[O-] CPD-9167 CC1=C(C(CCC1)(C)C)CC/C(=C/OC=O)/C LATIA-LUCIFERIN c1cc2c(c(c1)O)C(=O)C=CC2=O HYDROXYNAPHTHOQUINONE CCCC1=[NH+]CCCC1 CPD-9424 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C CPD-7893 c1c(c(nc(=O)n1C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N)CO DEOXY-OH-METHYLCYTIDINE-TRIPHOSPHATE CC(=CCC[C@]1(C[C@]2([C@@]([C@@H]3[C@]([C@H]4C(=CC3)[C@@]([C@H](CC4)O)(C)C)(CC2)C)(CC1)C)C)C)C CPD-10308 C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O CPD-10684 C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2+])N)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)OP(=O)([O-])[O-])[NH2+]C)(C=O)O CPD-512 C1C2=CC(NC2=CC(=O)C1=O)C(=O)[O-] CPD-7272 Cn1cnc2c1c(=O)[nH]c(=O)[nH]2 7-METHYLXANTHINE C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD-9446 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)[C@H](Cc4ccccc4)O)O CPD-5922 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@H]([C@@H]([C@@H]2O)O)O)O)O)O)O)O)O CPD-8257 C(CCNP(=O)([O-])[O-])CNC(=[NH2+])N CPD-492 C[C@@H]1CO1 R-12-EPOXYPROPANE 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@@](CCC=C2C)(C)C)\C)\C)/C)/C CPD1F-118 CC(C)/C=C/CCCCC(=O)[O-] CPD-9329 CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)CO)O)C)C CPD-8611 CCCCCCCCC/C=C/CCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCC/C=C/CCCCCCCCC CPD0-1424 c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(cc3O2)O)O)O)O)O CPD-1961 C=C1CC1C(C(=O)[O-])[NH3+] CPD-9757 Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3OC)[O-])C2=O QUESTIN CC(C(C1CNc2c(c(=O)nc([nH]2)N)N1)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD490-7 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OCC2C(C(C(C(O2)OP(=O)([O-])OC/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)O)O)O CPD1G-107 CC(=CCc1cc(ccc1O)c2coc3cc(cc(c3c2=O)O)[O-])C CPD-6722 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O CPD-8033 CCCCCCCCCCCCCCCC(=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]2O)NC(=O)C)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)O)O)O CPD-8583 C([C@H](C(=O)[O-])[NH3+])C(=O)N CPD-3633 C[C@]12CCC(C[C@H]1CC[C@@H]3C2CC[C@]4(C3CCC4=O)C)O 3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-ONE Cc1cc(c2c(c1)O[C@@]3(C2=O)C(=CC(=O)C=C3OC)C(=O)OC)O CPD-1901 C=C1CSC2[C@@H](C(=O)N2C1C(=O)[O-])NC(=O)CCC[C@H](C(=O)[O-])[NH3+] CPD-9208 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] P-NITROPHENYL-ACETATE C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)N[C@H](CCSC)C(=O)NC=O)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)NC(CC(=O)[O-])C(=O)NP(=O)(OCCC[NH3+])OC[C@H]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)O)O)O CPD0-1129 CCCCCCCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-] CPD-9122 c1ccc(cc1)CNc2c3c([nH]cn3)ncn2 CPD-4604 C(=C/O)\C(=O)[O-] CPD-1135 [O-]S(=O)(=O)OOS(=O)(=O)[O-] CPD-8916 CCCCCCCCCCCC CPD-9290 C[C@@H]1CC[C@H](CC(=O)O1)C(=C)C CPD-10044 COc1ccc(cc1)c2coc3cc(c(cc3c2=O)OC)OC4C(C(C(C(O4)COC(=O)CC(=O)[O-])O)O)O CPD-10081 CC1=CC(=O)C[C@@]([C@@]1(O)/C=C/C(=C\C=O)/C)(C)C CPD-692 c1cc(nc(c1)Cl)C(Cl)(Cl)Cl NITRAPYRIN c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O)O CPD-7149 C1[C@H]([C@H]([C@@](C(O1)O)(CO)OP(=O)([O-])[O-])O)O D-HAMAMELOSE-2-PHOSPHATE c1ccc-2c(c1)Cc3c2ccc(c3O)O 1-2DHFLUORENE CC(O)SCS 6-S-ACETYL-DIHYDROLIPOATE C1[C@@H]([C@H]([C@@H]([C@H](C1=O)O)O)O)COP(=O)([O-])[O-] CPD-9668 CC(C)C/C=C/C(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C)CC([C@@H]3[C@H]([C@H]([C@@H](O3)n4ccc(=O)[nH]c4=O)O)O)O)O)O CPD-5242 Cn1cnc2c1c(=O)[nH]c(=O)n2C 3-7-DIMETHYLXANTHINE c1c2c(cc(c1O)O)/[N+](=C/C=C/3\C[C@H](NC(=C3)C(=O)[O-])C(=O)[O-])/CC2 CPD-8854 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)[O-] CPD-8664 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5C(C(C(C(O5)C(CO)O)O)O)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)OC7(CC(C(C(O7)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]8[C@H]([C@@H]([C@H]([C@H](O8)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-934 C1CC(N=C1)C(=O)[O-] CPD-478 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=C(CCC(=O)C4)N)O 2-AMINO-5-OXOCYCLOHEX-1-ENECARBOXYL-COA CSCCCC(=O)C(=O)[O-] 2-OXO-5-METHYLTHIOPENTANOIC-ACID CC1=CC[C@@H](C[C@@H]1O)C(=C)C CPD-10052 CCCCCCC1CC1CCCCCCCCCC(=O)[O-] LACTOBACILLIC_ACID C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CCC4=CC(CC[C@]34C)O)C CPD-708 C1CC(=O)NC(=O)C1 GLUTARIMIDE C/C/1=C\CCC(=C)/C=C/C(CCC1)(C)C CPD-8730 c1c(nc2c(=O)[nH]c(nc2n1)N)C=O CPD0-1471 C(C(=O)[O-])(C(=O)[O-])[NH3+] AMINOMALONATE CC(CC/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C4CC[C@@H]5[C@@]4([C@H](CC6C5C(C[C@H]7[C@@]6(CCC(C7)O)C)O)O)C CPD-7243 CSCCC/C(=N/O)/SC1C(C(C(C(O1)O)O)O)CO 3-METHYLTHIOPROPYL-DESULFO-GLUCOSINOLATE CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O CPD-8474 CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC BIS2-ETHYLHEXYLPHTHALATE */C=C/OCC(COP(=O)([O-])OCC[N+](C)(C)C)O CPD-563 Cc1c(sc([n+]1Cc2cnc(nc2N)C)CC(C(=O)[O-])O)CCOP(=O)([O-])OP(=O)([O-])[O-] 2-ALPHA-LACTYL-THPP C/C/1=C\CC/C(=C/C2C(C2(C)C)CC/C(=C/CC1)/C)/C CPD-684 C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)O[C@H]2[C@@H]([C@H]([C@@H](OC2c3c(cc(c4c3oc(cc4=O)c5ccc(cc5)O)O)[O-])CO)O)O)O)O)O VITEXIN-2-O-B-L-RHAMNOSIDE CC(=O)N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)[O-] CPD-370 C(CC(=O)[O-])C(C(CC(C(=O)[O-])O)C(=O)[O-])C(=O)[O-] CPD-7641 c1cn(c(=O)[nH]c1=O)[C@H]2C([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)N=[N+]=[N-] CPD0-1393 CC1=CC(=O)C(=CC1=O)[O-] CPD-9135 CCCCCCCCCCC/C=C/CCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])[O-] CPD-8370 C/C(=C(\C)/C(=O)[O-])/C(=O)[O-] DIMETHYLMAL-CPD CC1c2c(c(c3cc(cc(c3c2O)O)O)c4c(cc(c5c4C(=O)C6=C(C5=O)C(OC(C6O)C)C)O)[O-])C(C(O1)C)O PROTOAPHIN-AGLUCONE CC(C)(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O 3-HYDROXY-ISOVALERYL-COA c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NO CPD0-1034 CC(=CCNC(=[NH2+])NCCCC[NH3+])C N-PRENYLAGMATINE C1C[NH+](C1C(=O)[O-])CC[C@@H](C(=O)[O-])[NH2+]CC[C@@H](C(=O)[O-])[NH3+].[Fe+2] CPD-10157 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC(CO)O CPD-2183 C(C(C(=O)[O-])Cl)C(=O)[O-] CPD-8933 CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])OO 5Z8Z10E14Z-12S-12-HYDROPEROXYICOS CSCCC/C(=N/O)/SCC(C(=O)O)N CPD-7546 CC1=C[C@H](C[C@@]([C@]1(/C=C/C(=C\C(=O)[O-])/C)O)(C)CO)O CPD-7728 C(CC(=O)[O-])/C(=C/C(=O)[O-])/C(=O)[O-] HOMO-CIS-ACONITATE C[S@](=O)CC[C@@H](C(=O)[O-])[NH3+] CPD-8989 c1c(cc(cc1N)O)C(=O)[O-] CPD-10231 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O CPD-3724 C(C[C@@H](C(=O)[O-])[NH3+])[C@@H](C[NH3+])O 5-HYDROXY-L-LYSINE CCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8431 C(CC=O)CC=O CPD-9052 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)([O-])[O-])O)O)O FRUCTOSE-2-PHOSPHATE C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)[NH3+])O)OP(=O)([O-])[O-] CPD-10226 C([C@@H](C(=O)[O-])[NH3+])SC[C@@H](C(=O)[O-])[NH3+] CPD-3736 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC CPD-2190 CC1=C(C(=O)C(=C(C1=O)C)C)C CPD-10343 [Ag+] AG+ 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=C(C)C)/C)/C CPD-7953 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])O[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)COP(=O)([O-])OCC(CO)O)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-5802 C[C@@H](C(=O)c1ccccc1)[NH3+] CPD-9950 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)O)O)O)O)O)O)O)O CPD-3605 C[N@@H+]1CC[C@]23c4c5ccc(c4OC2C(C=CC3[C@H]1C5)O)O MORPHINE C1CC(CC(=O)C1)O 3-HYDROXYCYCLOHEXANONE CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8291 C[N+](C)(C)CC(O)O BETAINE-ALDEHYDE-HYDRATE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C\CCCCCCCCC)O)O CPD-9804 CC1CC(=O)c2c(c(c(c(c2C1=O)C(C)C)OC)[O-])C=O CPD-9750 CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)C CPD-4201 c1cc([nH]c1)C(=O)[O-] PYRROLE-2-CARBOXYLATE c1ccc2c(c1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)[O-] CPD-6563 CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8403 C(=C\Cl)\Cl DICHLOROETHENE CCCCCCCCCCCCCC/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-8171 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)OC(=O)c6cc(c(c(c6)O)O)O)O)O)OC(=O)c7cc(c(c(c7)O)O)O CPD-8954 C[C@H]1C[C@H](C[C@@H]([C@H](/C(=C\C=C\CC(OC(=O)C[C@@H]([C@H](C1)C)O)[C@@H]2CCC[C@H]2C(=O)[O-])/C#N)O)C)C CPD0-1348 C(C(=O)[O-])NCP(=O)(O)[O-] CPD0-1308 Cc1ccc(c(c1)C(=O)[O-])N CPD0-1488 C1[C@@H]([C@H]([C@H]([C@H]([NH2+]1)CO)O)O)O 15-DIDEOXY-15-IMINO-D-GALACTITOL C(C[C@@H](C(=O)[O-])[NH3+])[C@H]([C@H](C(=O)[O-])[NH3+])F CPD0-1501 C[C@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)[O-])COC2=O)O CPD-6203 CCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8323 [C@@H]1([C@H]([C@H]([C@H]([C@H]([C@H]1O)O)O)O)O)O CPD-8060 CC(=O)NC1[C@H](C[C@@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O)O CPD0-1122 COC1=CC(=O)C(=C(C1=O)CCCCCCC/C=C\C/C=C\CC=C)[O-] CPD-10259 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8084 CC(=C)[C@H]1CC[C@@](C(=O)C1)(C)O CPD-10058 CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC2[C@@H]([C@H](C(O2)[C@@H](CO)O)O)O)O)O)O CPD0-1049 CC1=C(SCCO1)C(=O)Nc2ccccc2 CPD0-1366 CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC CPD-7788 CSCCC(C(=O)[O-])O CPD-10468 CC(C)c1ccc(cc1)C(=O)[O-] CPD-1004 C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(\C)/C=O CPD-7207 CC1=C[C@@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C CPD-8787 C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C CPD-209 CC1=CCCC2(C1CC(=C(C)C)CC2)C CPD-8748 CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C4CCC5C4(C(CC6C5CCC7C6(CCC(=O)C7)C)O)C 3-OXO-DEOXYCHOLYL-COA C(C(=O)/C=C(\C(=O)[O-])/Cl)C(=O)[O-] 2-CHLOROMALEYLACETATE *[C@@H](C(=O)N[C@@H](*)C(=O)N[C@@H](*)C(=O)O)NC(=O)CO CPD-39 CN1CC[NH+](CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl CPD-10433 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)Cl)O CPD-1776 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)O[C@H]3[C@@H]([C@H]([C@H]([C@@H]([C@@H]3O)O)O)O)O)O)O)O)O)O)O)O CPD-8256 C[N+]12CCc3cc4c(cc3[C@@H]1Cc5ccc(c(c5C2)OC)OC)OCO4 S-N-METHYLCANADINE c1nc2c(=O)[nH]c(nc2n1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)N GUANOSINE_PENTAPHOSPHATE *C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O*)CO)CO)CO CPD-8576 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccccc3)C(=O)[O-])C(=O)[O-])C CPD-9218 C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])(C)C(=O)[O-] CPD-695 c1c(cc(c2c1C(=O)c3cc4c(c(c3C2=O)O)C(C(O4)O)CCO)O)[O-] CPD-10171 CC1(C2CC1C3(C(C2)O3)C)C ALPHA-PINENE-OXIDE CC1=C[C@@H]([C@H]2C[C@@H]1C2(C)C)O CPD-8832 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)Cc4c[nH]c5c4cccc5)O S-2-INDOL-3-YLACETYL-COA C[C@]1([C@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@H]([C@H](CC5)C(O)(C)C)CC4)C)CC3)C)(CC2)C)(CCC1)C)C HOPAN-22-OL C[C@@H]([C@H]1[C@H]([C@H](C(=O)O1)O)O)O L-RHAMNONO-14-LACTONE CSCCCC(C(=O)[O-])[NH3+] HOMOMETHIONINE C[C@@]12CC[C@@H](C1(C)C)CC2=O CPD-862 COP(=O)([O-])OCCNC(=[NH2+])NP(=O)([O-])[O-] N-PHOSPHOGUANIDINOETHYL-METHYL-PHOSPHAT c1cc(c(cc1c2c(cc3c([o+]2)cc(cc3OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])[O-])O)O CPD-7386 c1ccc2c(c1)c(c[nH]2)CC(=O)NCCCCC(C(=O)[O-])[NH3+] CPD-1061 C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O D-LACTOYL-COA CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC CPD-7825 CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O CPD-3613 c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNc4cc([nH]c(=O)c4N3C2)N CPD-9018 CC1=CC[C@H](CC1)C(C)(C)O CPD-4887 C[C@H](CCC(=C(C)C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-4141 C(CC=O)CNC(=O)CC[C@@H](C(=O)[O-])[NH3+] GAMMA-GLUTAMYL-GAMMA-AMINOBUTYRALDEH CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8338 C1=C[C@H]([C@@H](C(=C1)C(=O)CCC(=O)[O-])C(=O)[O-])O CPD-9923 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)[O-])O 3-OXOPIMELOYL-COA CC(C)(C)C#C/C=C/C[NH+](C)Cc1cccc2c1cccc2 CPD-10571 C/C(=C/CO)/CC/C=C(\C)/CO CPD-7979 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8378 C(CSCC(C(=O)[O-])[NH3+])[NH3+] S-2-AMINOETHYL-L-CYSTEINE C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O NMNH c1nc2c(nc(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N)N CPD-10120 C[NH+](C)CCO CPD-5602 C(=C(/Cl)\C(=O)[O-])\C=C(\Cl)/C(=O)[O-] 25-DICHLORO-CISCIS-MUCONATE C1C=C1 CPD-9315 C[N@@H+]1CC[C@]23c4c5ccc(c4OC2C(=CC=C3[C@H]1C5)OC)O CPD-7713 CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COP(=O)([O-])OC1C(C(C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O MIPC COCCO 2-METHOXYETHANOL C1=C(C(=O)OC1(CC(=O)[O-])Cl)Cl 24-DICHLORO-25-DIHYDRO-5-OXOFURAN-2-AC C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H]([C@@]5(C(=O)[O-])C)O)O)C)C)C)(CC1)C(=O)OC6O[C@H]([C@@H]([C@H]([C@@H]6O)O)O)CO)C CPD-9487 CCC1(CCC(=O)NC1=O)c2ccc(cc2)N CPD-10532 COc1cc(cc(c1O)OC)/C=C/C(=O)[O-] SINAPATE *C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N* CPD-8900 Cc1c(c(=O)c2ccccc2n1O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-7733 c1c(cc(c(c1I)[O-])I)CC(C(=O)[O-])[NH3+] DIIODO-L-TYROSINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9972 CCCCCCCCCCCCCCC(C(C(CO)[NH3+])O)O PHYTOSPINGOSINE CC1=C2[C@@]([C@H](C[C@H]3[C@](C[C@@H]2O)(CC[C@@H](C3=C)OC(=O)C)C)CC1)(C)C 10-BETA-HYDROXYTAXA-42011-DIEN-5-ALPH C(CC([C@H](C(=O)[O-])[NH3+])O)[C@@H](C(=O)[O-])[NH3+] CPD-7690 CC[C@H](C)[C@@H](C(=O)NC(=O)[C@H](C(C)C)[NH+](C)C([C@@H](C)CC)[C@@H](CC(=O)N1CCC[C@H]1C([C@@H](C)C(=O)N[C@H](Cc2ccccc2)c3nccs3)OC)OC)[NH+](C)C CPD-10406 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC=O)O MALONATE_SEMIALDEHYDE-COA C1=C(C=C(OC1O)C(=O)[O-])C(=O)[O-] CPD-2542 CC1=C/C(=C/C(=O)[O-])/OC1=O CPD-10653 CCCCCC1C(O1)C/C=C\CCCCCCCC(=O)[O-] CPD-10320 c1cc(ccc1NC(=O)CBr)OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3ccc(=O)[nH]c3=O)O)O CPD0-1326 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)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O RUTIN CC(=O)NCCCC(CC(=O)[O-])[NH3+] 3-AMINO-6-ACETAMIDOHEXANOATE C1C[NH2+]1 AZIRIDINE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@H](Cc4ccccc4)CC(=O)[O-])O BENZYLSUCCINYL-COA [C-]#N.[K+] CPD-7082 CCC(C)C1C(=O)OC(C(C(=O)NC(C(=O)NC2CCC(N(C2=O)C(C(=O)N(C(C(=O)N1)Cc3ccccc3)C)C(C)O)O)CC4CCC(C=C4)O)NC(=O)C(CCC(=O)N)NC(=O)C(Cc5ccc(cc5)O)O)C CPD-10383 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C CPD0-1118 c1cc2cccc3c2c(c1)C(=O)C3=O ACENAPHTHENEQUINONE CC[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O R-2-METHYLBURYRYL-COA C=CCC(=O)[O-] VINYL-ACETATE C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=N4[Ni+]67N3=C([C@H]2CCC(=O)[O-])C=C8N6C(=C9C(=O)CC[C@@H]1C9=N7C(C5)[C@H]1CC(=O)[O-])[C@H]([C@@H]8CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)N)CCC(=O)[O-] CPD-7425 CCNc1nc(nc(n1)O)NC(C)C HYDROXYATRAZINE 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 CPD-417 Cc1ccc(cc1O)O 4-METHYLRESORCINOL Cc1c(c(c(c[nH+]1)COP(=O)(=O)O)/C=[NH+]/[C@H](=O)CS(=O)CC=C)[O-] CPD-9272 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OCC(C(=O)[O-])O)O)O)N 3-ADPGLYCERATE Cc\1c(/c/2c/c3n/c(c\c4cc5c/6n4[Mg]n2/c1c(\c7n/c(c6/CC5=O)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C=C3C=O)C(C)O CPD-9094 C[C@@H]1[C@H](C[C@@H]([C@H](O1)O)O)O CPD-9395 C(C[N+](=O)[O-])C(=O)[O-] CPD-8147 C(CP(=O)(O)[O-])O CPD-9466 *O[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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O D-GALACTOSYL-13-BETA-D-GALACTOSYL-14-B CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7776 c1ccc2c(c1)C(C(=O)N2)CC(=O)NC(CC(=O)[O-])C(=O)[O-] 2-OXINDOLE-3-ACETYL-ASP CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C BETA-D-MANNOSYLPHOSPHODECAPRENOL CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8399 C(CC(=O)[O-])C(=O)C(C(=O)[O-])O CPD-621 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2CCC3C2(CCC4C3CCc5c4ccc(c5)O[C@@H]6[C@@H]([C@H]([C@@H](C(O6)C(=O)[O-])O)O)O)C)CO)O)O ALPHA-N-ACETYL-ETCETERA-ESTRADIOL-GLUCUR CCNc1nc(nc(n1)SC)NC(C)C CPD-9343 C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])CO DEACETYLCEPHALOSPORIN-C C(C(C(CO)O)O)C(=O)C(O)O CPD0-1200 C[C@@](CC(=O)[O-])(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD-9414 c1cc(ccc1CC[NH3+])OCc2cc(oc2)C[NH3+] CPD-7645 C1CCC(=O)C(=O)C1 CPD0-1349 CC(C)C(=O)SC(CCCCC(=O)N)CCS CPD-281 C[C@H](C(=O)[O-])[NH2+]CC(=O)[O-] CPD-312 CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C CPD-4207 COC(CNC(=O)c1ccccc1OCC(=O)[O-])C[Hg] CPD0-1313 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CN=[N+]=[N-])O)O CPD0-1320 C=CC=C BUTADIENE CC12CCC3c4ccc(cc4CCC3C1CC[C@H]2O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O ESTRADIOL-ETCETERA-GLUCURONOSIDE CN1CCc2cc3c(cc2C(=O)Cc4ccc5c(c4C1O)OCO5)OCO3 6-HYDROXYPROTOPINE c1cc(ccc1/C=C/C(=O)Cc2cc(cc(=O)o2)[O-])O CPD-6955 C1=C(C=C(C(C1O)O)Cl)Cl CPD-10604 CSSC CPD-8529 *c1ccc(cc1)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O CPD-7010 c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])NN DINITROPHENYLHYDRAZINE C\1[C@H](NC(=C/C1=C/C=O)C(=O)[O-])C(=O)[O-] CPD-8651 c1c(cc(c(c1O)O)O)C=C2C(=O)c3c(cc(cc3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-] CPD-8635 c1c2c(cc(c1OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)N[C@@H](C2)C(=O)[O-] CPD-8657 CCCCCC/C=C\C=C/CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-1160 CC1(CCCC2(C3C1C4C2(C4C3)C)C)C CPD-8751 c1cc(ccc1/C=C/c2cc(cc(c2)O)O)O CPD-83 Cc1c2nc(o1)[C@@H](NC(=O)c3csc(n3)[C@H](NC(=O)c4csc(n4)CNC2=O)C(C)C)C CPD-10395 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 CPD-9717 CN(=NCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)=O CYCASIN [C@H]1([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)O CPD-6746 C1CN(C1=O)[C@@H]([C@@H](CC[NH3+])O)C(=O)[O-] PROCLAVAMINATE CC1CNC(=O)CCC2(C(C3CC4C(C(C5=C(C6C(C(C7=CC8C(C(C9=C(C2N3[Co+](N45)(N89)(N67)(N2CN(c3c2ccc(c3)O)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O1)[O-])O)C)C)CCC(=O)N)(C)C)CC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C CPD-7163 COP(=S)(OC)Oc1ccc(cc1)C#N CPD-8968 CC1(C(Cc2c(cc(c(c2O)C(=O)/C=C/c3ccc(cc3)O)OC)O1)O)C CPD-7127 c1ccc2c(c1)c(cn2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)[O-] CPD-9567 c1ccc(cc1)COC(=O)c2ccccc2 CPD-6443 CC(=O)C1CCC2[C@@]1(CC=C3C2CCC4=CC(=O)CC[C@@]43C)C PREGNA-4911-DIENE-320-DIONE c1ccc(cc1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-553 COc1ccc2c(c1)O[C@@H]3[C@H]2COc4c3ccc(c4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O CPD-4122 c1cc(c(cc1C2C(C(=O)c3c(cc(c(c3O2)O)O)O)O)O)O 23-DIHYDROGOSSYPETIN CCSO CPD-9311 CCC(C)/C=N\O CPD-10274 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9650 Cc1ccc(cc1)CO 4-METHYLBENZYL-ALCOHOL C(CSSCCC(C(=O)[O-])[NH3+])C(C(=O)[O-])[NH3+] HOMOCYSTINE COc1ccc2c(c1)c(ccn2)[C@@H]([C@@H]3C[C@H]4CC[NH+]3C[C@@H]4C=C)O CPD-9846 COc1ccc(cc1)c2coc3cc(c(cc3c2=O)OC)OC4C(C(C(C(O4)CO)O)O)O CPD-10077 C(C(C(=O)[O-])[NH3+])SS THIOCYSTEINE CCCC1CCCC[NH2+]1 CPD-9425 c1ccc(cc1)[C@H](C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O CPD-1125 C(CC(=O)[O-])C(=O)C=O CPD-473 c1ccc(c(c1)[N+](=O)[O-])[O-] CPD-258 c1cc(ccc1CC#N)Cl 4-CHLOROPHENYLACETONITRILE c1ccc(c(c1)/C=C/C(=O)C(=O)[O-])C(=O)[O-] CPD-241 [H][C@H]1C([C@@H]([C@H](O1)c2ccc(c(c2)OC)O)CO)Cc3ccc(c(c3)OC)O CPD-8907 C[C@@]1([C@@H](C2=N3C1=Cc4c(c(c5n4[Ni]36N7=C(C=C8N6=C(=C2)[C@@]([C@@H]8CCC(=O)[O-])(C)CC(=O)N)[C@H]([C@@H](C7=C5)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)N CPD-7564 CC(=CCC/C(=C/COC(=O)C)/C)C CPD-9758 C[C@H](C(=O)[O-])[NH2+][C@@H](CCCC[NH3+])C(=O)[O-] CPD-306 c1ccc2c(c1)cccc2O NAPHTHOL C/C=C/C(=O)[Hg]Br CPD-8868 CC/C=C\CC1C(C=CC1=O)CCCCCCCC(=O)[O-] CPD-729 C[C@H]1CC[C@H]2[C@@H]1C(OC=C2C(=O)[O-])O CPD-9980 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccc(c(c4)O)O)O 34-DIHYDROXYPHENYLACETYL-COA C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl HEXACHLOROETHANE CN(CC(=O)[O-])C(=O)N CARBAMOYL-SARCOSINE c1cc2c(cc1/C=C/C=C/C(=O)N3CCCCC3)OCO2 N-EE-PIPEROYL-PIPERIDINE C(CCN)CC(C(=O)OCC(COP(=O)(O)OCC(COC=O)OC=O)O)N 3-PHOSPHATIDYL-3-O-L-LYSYLGLYCEROL [C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-])O)O INOSITOL-1-4-BISPHOSPHATE CC(=O)CC(=O)c1ccccc1 CPD-8880 CC(=O)NC[C@@H]1[C@H]([C@@H]([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@@H]([C@H](O3)CO)O)[NH3+])O)[NH3+])[NH3+])[NH3+])O)O N6-ACETYLKANAMYCIN-B C[C@]12CC[C@@H]3c4ccc(cc4[C@@H](C[C@H]3[C@@H]1CC[C@@H]2O)O)O CPD-1077 C(C[NH3+])C(=O)N CPD-8981 c1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-8144 C(=C(\C(=O)[O-])/N)\C=C(/C(=O)[O-])\Cl CPD-9160 c1cc(c(cc1Cl)O)O CPD-9152 C[C@@H]([C@H](C)O)O CPD-346 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8281 COc1cc(ccc1O)c2cc(=O)c3c(cc(cc3o2)[O-])O 574-TRIHYDROXY-3-METHOXYFLAVONE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O)C(=O)N)O)O)O)O)N CPD-653 c1ccc2c(c1)c(ccn2=O)[N+](=O)[O-] 4-NITROQUINOLINE-N-OXIDE 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 CPD-10578 C[C@@]12[C@H]3[C@@H]([C@@]45CC(=C)[C@@](C4)(CC[C@H]5[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)O)C(=O)[O-] CPD-204 C\1=C(C(=O)O/C1=C/C(=O)[O-])Cl CIS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-EN- CCC(C)O CPD-326 CCCCCCCCCCCCCCCCCCCCO CPD-7869 CCCCCCCCCCCCCCCCO CPD-348 CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8164 CC1=CCC[C@@]([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]2[C@@](CC(C=C2C)O)(C)C)\C)\C)/C)/C)(C)C CPD-7415 C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)CO CPD-7556 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O CPD-8688 c1c(nc[nH]1)CC=O IMIDAZOLE_ACETALDEHYDE CC(=O)N[C@@H]1C(C[C@](OC1[C@H](C(CO)O)OC(=O)C)(C(=O)[O-])O)O CPD-1803 C([C@@H](C(=O)[O-])NC=O)C(=O)[O-] CPD-583 C[C@H](CCCO)[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 CPD-7261 c1[nH]c(=O)c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O IDP C=C1CC1CC(C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-9700 C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])[NH3+] CPD0-1445 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8269 COc1cc(ccc1N)c2ccc(c(c2)OC)N CPD0-1477 c1ccc2c(c1)c(c[nH]2)O INDOXYL CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 CPD0-1359 C1C(=NC2=C(N1)[NH+]=C(NC2O)N)C(C(COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O AMINO-HYDROXY-OHPROPYL_DIHYDROPTERIDIN c1ccc2c(c1)C(=O)[N-]S2(=O)=O CPD-5581 COc1cc2c(cc1O)[C@H]3Cc4ccc5c(c4CN3CC2)OCO5 S-CHEILANTHIFOLINE C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(/C)\C=C\C12C(CC(CC1(O2)C)O)(C)C CPD-7197 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)O)C)C CPD-7287 CC1=C2CC[C@@]3(CCC=C([C@H]3C[C@@H](C2(C)C)CC1)C)C TAXA-411-DIENE c1ccc2c(c1)nc-3cc(c(=O)cc3o2)N ISOPHENOXAZINE C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O GULOSE C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC([C@H]2O)(CO)O)CO)O)O)O)O CPD-3561 CC1=CC[C@H](C[C@@H]1O)C(=C)C CPD-10051 C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4)O)C)O)C CPD-711 *C(*)(*)O ALCOHOL-GROUP C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C=O CPD-7557 COc1cc(c2c(c1)oc(c(c2=O)OC)c3ccc(c(c3)O)O)O 345-TRIHYDROXY-37-DIMETHOXYFLAVONE CC[NH+](CC)CC TRIETHYLAMINE C(CON)[C@@H](C(=O)[O-])[NH3+] L-CANALINE c1cc(c(c(c1C(=O)[O-])C(=O)[O-])O)O CPD-635 CC(=CCc1c(cc(c2c1occ(c2=O)c3ccc(cc3)O)O)[O-])C CPD-6721 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O CPD-8367 C(C=O)Cl CHLOROACETALDEHYDE [C@H]1(C(=O)NC(=O)N1)NC(=O)N S-ALLANTOIN CC1=CC(=O)C(=C(C)C)CC1 CPD-278 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]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H](C([C@@H]([C@H](O7)COC8[C@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O)O)O)O)C CPD-9250 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])[O-])OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/C)/C)/C)C BIS-GERANYLGERANYLGLYCEROL-PHOSPHATE c1c(cc(c(c1O)O)O)C=C2C(=O)c3c(cc(cc3O2)[O-])O CPD-3001 CC(CS)O CPD-7678 CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)O)O)C)C)C=C([C@H](C4(C)C)OC(=O)C)OC(=O)C)C CPD-5321 CSCCC(C(C(=O)[O-])O)C(=O)[O-] 3-2-METHYLTHIOETHYLMALIC-ACID C[C@@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O)O CPD-354 CC(=O)N[C@@H](CCCC=O)C(=O)[O-] N-ACETYL-AAA-SEMIALDEHYDE c1cc(ccc1[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O CPD-1103 c1ccc(cc1)C(=O)N[C@H](CCCNC(=[NH2+])N)C(=O)[O-] N-BENZOYL-D-ARGININE C(C#N)[C@@H](C(=O)[O-])N CPD-603 C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CCC4[C@H](C)CCC(=C)C(C)C)C)C OBTUSIFOLIOL 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)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C CPD-556 C1C[C@H](C[C@](C1)(C(=O)[O-])[NH3+])C(=O)[O-] CPD0-1276 c1ccc(c(c1)Cl)Cl O-DICHLOROBENZENE CC1=CCC2C(=O)c3c(c(c(c(c3C(=O)C2(C1CC=C(C)C)C)C(C)C)O)[O-])C=O CPD-9744 C(C(C(=O)O)N)C(C(=O)O)F 4--FLUOROGLUTAMATE C=CCO ALLYL-ALCOHOL c1cc(ccc1[C@H](C(=O)[O-])N2C[C@@H](C2=O)NC(=O)/C(=N\O)/c3ccc(cc3)O)O NOCARDICIN-E CCCCCCCCCCCCCCCCCCCCCCCC CPD-9764 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H](C[C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)O)O DUDP-L-RHAMNOSE C[n+]1cccc(c1)[C@@H]2CCC(=O)N2C CPD-3184 C1CCC(=NNC(=O)C(=O)NN=C2CCCCC2)CC1 CUPRIZONE C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@@]12C(O1)C[C@@H](CC2(C)C)O)/CC=O CPD-7280 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8273 C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])C(=O)[O-])O)C(=O)[O-] CPD-6221 CC(C)C1=CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)C(O)O)C CPD-8706 CC1=CC/C(=C(\C)/CCC=C(C)C)/CC1 CPD-8737 CP(=O)(C1CCCC(C1)(C(=O)[O-])[NH3+])[O-] CPD0-1246 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OC[C@H](CC(=O)[O-])[NH3+])O)O)N CPD0-915 c1ccc2c(c1)c(c[nH]2)CC(=O)OCC3C(C(C(C(O3)O)O)O)O INDOLE-3-ACETYL-BETA-6-D-GLUCOSE CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)O)O)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-929 CCCCC(=O)C(=O)C CPD-9080 CC1=C[C@@H]([C@@H](C=C1)O)O CPD-8824 C([C@@H](C(=O)[O-])[NH3+])OS(=O)(=O)[O-] CPD-673 C(CC(=O)[O-])[C@@H](C(=O)[O-])NC=O CPD-600 C(C(=O)[O-])(N)OC(=O)N CARBAMOYLOXAMATE Cc1cc2c(c(c1)O)C(=O)c3c(cccc3O)C2=O CPD-8216 C(C(C[NH3+])O)C(=O)C(=O)[O-] 2-KETO-4-HYDROXY-5-AMINO-VALERATE CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3C2=CCC4(C3(CCC(C4)O)C)O)C CPD-1833 c1ccc(cc1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O D-GLUCOSYLARYLAMINE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7771 C(CC(=O)[O-])[C@@H](C(=O)N)[NH3+] ISOGLUTAMINE C1CC[NH2+]C1 PYRROLIDINE C(C#CCO)O 2-BUTYNE-14-DIOL C[C@@H](C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-720 CCN(CC)C(=S)SSC(=S)N(CC)CC DISULFIRAM CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7820 CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCC/C=C/CCCCCCCCC)O CPD-9821 C1[C@H]([C@@H]([C@H]([C@H](O1)OC[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]3O)O)O)CO[C@@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O)O)O)O CPD-10498 C/C=C\1/[C@H](C(=O)N/C1=C\c2c(c(c([nH]2)/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-])C)C 3Z-PHYTOCHROMOBILIN CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)C(=O)[O-])SC1)C(=O)[O-] 7-5-CARBOXYL-5-OXOPENTANYL-AMINOCEPHAL C1CC=CC(=O)C1 CPD-282 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OP(=O)([O-])OP(=O)([O-])OCC2[C@H]([C@H](C(O2)n3ccc(=O)[nH]c3=O)O)O)O)O)O UDP-L-RHAMNOSE c1cc2c(c(c1)OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C2CC(=O)[O-] 7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID-GLUCO CNO N-METHYLHYDROXYLAMINE c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O)OC(=O)c7cc(c(c(c7)O)O)O CPD-8953 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[O-])O)O CPD-8006 CCC(C)C=O METHYLBUT-CPD CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7792 CC(C)(CO)C(C(=O)NCCC(=O)NC(CS)C(=O)[O-])O N-PANTOTHENOYL-CYSTEINE c1cc(ccc1C(=O)[O-])[Hg]Cl CPD-29 CC(=O)ONc1ccc(cc1)c2ccccc2 N-ACETOXY-4-AMINOBIPHENYL C(C(C1C(C(=O)C(O1)O)O)O)O CPD-9055 CC[C@H](C)[C@H]1c2nc(cs2)C(=O)N[C@@H](C3=N[C@H](CO3)C(=O)N[C@H](c4nc(co4)C(=O)N1)C)Cc5ccccc5 CPD-10398 CC(C)Cc1cc(cc(=O)o1)[O-] CPD-7146 c1cc(ccc1C/C=N/O)O CPD-2205 CCCC/C=C/O/C=C/C=C\CCCCCCCC(=O)[O-] CPD-8690 C(CC(=O)C(=O)[O-])CC(=O)C(=O)[O-] CPD-5061 CC(C)C1=CC=C(C(C1O)O)C(=O)[O-] CPD-1005 CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8459 CCCCC/C=C/C/C=C\CCCCCCCC(=O)[O-] CPD-8203 Cn1c(=O)c2c(nc1N)[n@@](cn2)C3[C@@H]([C@@H]([C@H](O3)CO)O)O CPD0-1043 c1cc(c(cc1C[C@H]2c3cc(c(cc3CC[NH2+]2)O)O)O)O S-NORLAUDANOSOLINE C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C CPD-7695 c1ccc2c(c1)c(c[nH]2)C(C(=O)[O-])O INDOLE-3-GLYCOLATE COc1ccc(cc1)[C@H]2[C@@H](Oc3cc(cc(c3C2=O)O)[O-])O CPD-5421 C1=C(C(C(C(=C1)Cl)O)O)Cl 14-DICHLOROBENZENE-DIHYDRODIOL CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8393 CC(=O)NCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 4-ACETAMIDOBUTANOYL CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C CPD1F-98 CCC[C@@H]1CCCC[NH+]1C CPD-9426 COc1cc2c(cc1O)occ(c2=O)c3cc4c(cc3OC)OCO4 CPD-9710 c1cc(c(cc1O)O)Cl 4-CHLORORESORCINOL Cc1cccc(c1)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O 3-METHYLBENZOYL-COA c1cc(ccc1CNc2c3c(ncn2)NCN3)O CPD-6162 c1[nH]c(=O)nc(n1)N CPD-9334 COc1cc(ccc1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/C=O CPD-81 CC1CCCCC1O CPD-10085 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)C)OC6[C@@H](C(C([C@H](O6)C(=O)[O-])OC7[C@@H]([C@H]([C@@H](C(O7)CO)O)O)O)OC8[C@@H]([C@H]([C@H](C(O8)CO)O)O)O)O CPD-9469 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7816 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(C[C@H](C[C@]2(C)C)O)C)\C)\C)/C)/C CPD-7409 CCC(=O)C(=O)C 23-PENTANEDIONE Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])NC2C(C(C(C(O2)CO)O)O)O CPD-10452 c1cc(oc1)CNc2c3c(ncn2)n(cn3)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4611 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O LUTEOLIN-7-O-BETA-D-GLUCOSIDE C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C 11-DEOXY-CORTISOL C[C@@H]1[C@@H](C[C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2O)O)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)OP(=O)(O)OP(=O)(O)OCC(COC=O)OC=O)CO)C)CO)O)O ABEQUOSYL-D-MANNOSYL-RHAMNOSYL-ETCETERA CCC1(C(=O)NC(=O)[N-]C1=O)CC BARBITAL C(CCNC(=[NH2+])N)CC(=O)N CPD-6945 C/C(=C\C(=O)OC)/C(=O)OC DIMETHYL-CITRACONATE C(CC(=O)N[C@@H](CSC(=O)CCC(=O)[O-])C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CPD-549 c1ccc(cc1)[C@H]([C@@H](C(=O)[O-])[NH3+])O CPD-8855 Cc1ccc(cc1)S(=O)(=O)[O-] 4-TOLUENESULFONATE c1ccc2c(c1)ccnc2O ISOQUINOLIN-12H-ONE CC1(C=Cc2c(ccc3c2OC[C@@]4([C@H]3Oc5c4ccc(c5)O)O)O1)C CPD-4405 C[NH+]1CCc2cc(c(cc2[C@H]1Cc3ccc(c(c3)O)OC)O)OC R-RETICULINE CCCCCCCCCCCCCCCCCCCC/C=C/CC(=O)C CPD-8494 C(=C/[N+](=O)[O-])\C(=O)[O-] 3-NITROACRYLATE CCC(C(C)O)[N+](=O)[O-] CPD-8128 Cc1cc(ccc1OC2[C@H]([C@H]([C@H]([C@@H](O2)COC(=O)/C=C/c3ccc(c(c3)OC4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)/C=C/C(=O)OC[C@H]5[C@@H]([C@@H]([C@@H](C(O5)OC6=Cc7c(cc(cc7O=C6c8ccc(cc8)O)O)O)OC9[C@H]([C@H]([C@H]([C@@H](O9)COC(=O)/C=C/c1ccc(c(c1)OC1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O CPD-7841 CC12CCC3c4ccc(cc4CCC3C1CC(C2O)O)OC5CC(C(C(O5)C(=O)[O-])O)O ESTRIOL-16A-GLUCURONIDE CC(=CCc1c(cc2c(c1O)c(=O)c(co2)c3ccc(cc3O)O)[O-])C CPD-6642 C1CSCC(=N1)C(=O)[O-] 34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY c1cc(oc1)/C(=C/c2ccc(o2)[N+](=O)[O-])/C(=O)N Z-2-2-FURYL-3-5-NITRO-2-FURYLACRYL c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@@H]5C(O4)OP(=O)(O5)[O-])O)O)O)N CPD-9007 c1[nH][c-](c(=O)n1)CC(=O)[O-] 5-HYDROXY-4-IMIDAZOLEACETATE [C@H]1([C@H](C([C@H]([C@@H](C1O)[NH3+])O)O)O)[NH3+] CPD-10147 Cc1ccc2c(c1O)C(=O)c3c(cc(c(c3O)[O-])O)C2=O CPD-9626 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)O)O CPD-8947 CCCCCCCCCCCCCCCCCCCC/C=C/CCCCC CPD-7918 C1=CC(=O)C(=O)C=C1 CPD-385 *C(=O)C=O 2-OXOALDEHYDE CC1=C2C=C(CC[C@]2(CCC1)C)C(C)C CPD-8758 c1cc(c(c2c1ccc(=O)o2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O DAPHNIN CC(CC(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-9407 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CC(C(=O)[O-])[NH3+])CO)O[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[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)O)NC(=O)C)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)NC(=O)C)O N4-N-ACETYL-BETA-D-GLUCOSAMINYL-X C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4(C3=CCC4[C@H](C)CCC(=C)C(C)C)C ALPHA-METHYL-5-ALPHA-ERGOSTA C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@H]([C@H]5[C@@H]([C@@H](O4)CO5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O)O CPD-8939 CCc\1c(c2/cc\3/c(c(c(n3)/cc/4\nc(c5c6c(=C(C5C(=O)OC)[O-])c(c([nH]6)/cc1\n2)C)C(C4C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C CPD-10334 c1ccc2c(c1)cccn2 QUINOLINE C1CC(=O)NC1=O SUCCIMIDE CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8440 CC(=O)C(CO)O CPD-6485 CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD1G-567 CCC1=C[C@@H]([C@@H](C=C1)O)O CPD-8823 CCCCCCCCCCCCCCCCCCCCCCCC(=O)C CPD-7897 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O MANNOSYL-ETCETERA-D-MANNOSE CC(C[C@H]1C(=O)NC(=O)N1)S CPD-10024 [O-]S(=O)(=O)[O-].[Na+].[Na+] NA2SO4 C([C@@H](C(=O)[O-])[NH3+])SS(=O)(=O)[O-] SULFO-CYSTEINE c1cc(cnc1)C=O CPD-9060 CN1[C@@H]2C[C@H](C[C@H]1C3C2O3)OC(=O)[C@H](CO)c4ccccc4 SCOPOLAMINE COc1cc(c2c(=O)c3c(cc4c(c3oc2c1OC)C5C=COC5O4)OC)O CPD-4591 Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)[N+](=O)[O-] CPD-7664 C[C@@H]1[C@H]([C@@H](CC2=C1C[C@@H](CC2)C(=C)C)O)O CPD-4745 CC1=CCC2(C(C1CC=C(C)C)C(=O)c3c(c(c(c(c3C2=O)C(C)C)OC)[O-])C=O)C CPD-9745 CC(=O)c1ccccc1NC=O O-FORMAMINOACETOPHENONE CC1CCC2C1CC3CCC2(C=C3C)C CPD-8811 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)C(CCC(=O)N)[NH3+])[O-])O)O)N CPD0-1086 C(=C\C(=O)[O-])\C(=C/C(=O)[O-])\S(=O)(=O)[O-] CPD-10419 C[C@@H](Cc1ccccc1)[NH3+] CPD-7658 c1cc(cc(c1)Cl)C=O CPD-10660 CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=O)/C)/C)C CPD-9912 C[C@H]1C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)O)O)O)OC)/C CPD-10325 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)O)O)O)O)O)O)O)O CPD-7264 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O CPD-8353 Cc1cc(cc(c1C(=O)Oc2cc(c(c(c2)O)C(=O)[O-])C)O)O ORSELDEP-CPD *C([C@@H]1CC[C@H](C(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* GENTAMICIN-C CCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8437 C[C@@H](CCC[C@@H](c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2=O)[O-])O)O CPD-10164 CC(C)C1=CC2=CCC3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C CPD-8694 CC[S+](CC[C@@H](C(=O)[O-])[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O CPD0-1482 C[C@H]1CC[C@@H](C(=O)C1)C(C)C CPD-10102 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)[O-])OC4[C@H]([C@H]([C@H]([C@@H](O4)CO)O)O)OC5[C@H]([C@H]([C@H]([C@@H](O5)CO)O)O)O CPD-7844 C1=CC(C(C(=C1)Cl)O)O CPD-10609 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-8665 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O CPD-454 CCCCCCCC/C=C\CCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8301 c1c(c(c(c(c1Cl)Cl)[O-])Cl)Cl CPD-10489 Cc1ccc[nH+]c1[N-]C(O)(P(=O)(O)[O-])P(=O)(O)[O-] HERBICIDE-14A c1ccc(cc1)C[C@H](C(=O)[O-])O CPD-5921 CCCCCCCCCCCCCCC CPD-7946 CCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO CPD-3566 CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O IPC CC1=C2CC(=O)OC(C2(CCC1C34COC(=O)CC3OC(C4CC(=O)[O-])(C)C)C)c5ccoc5 DEOXYLIMONATE CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8074 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)OP(=O)([O-])[O-])N CPD-3705 C1[C@@H]([C@@H](C(C(O1)O)O)O)O BETA-L-ARABINOSE COc1ccc2c(c1)OC(C(=O)N2[O-])OC3C(C(C(C(O3)CO)O)O)O CPD-6562 c1ccc(c(c1)C(=O)[O-])NCC(C(C(COP(=O)([O-])[O-])O)O)O CPD0-1486 OS(=O)(=O)[O-] HSO4 Cc1c(c(c(cn1)C(=O)[O-])C(=O)[O-])O CPD-234 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)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O CPD-1099 C[C@@H]1CCC(C12CCC(=CC2)C)C(=C)C CPD-8240 c1cc(c(cc1/C=C/C(=O)NCCCC[NH3+])O)O CPD-411 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC CPD-8313 c1nc2c(=O)[nH]c(nc2n1C3[C@@H]([C@@H]([C@H](O3)COP(O)(O)O)O)O)NO CPD0-1035 Cc1cc(cc(c1)OC)O CPD-9501 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)[O-])[NH3+])C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CPD-921 C1CC2[NH2+]CCCN2C1 CPD-6122 c1cc(ccc1C[C@@H](C(=O)[O-])NO)O CPD-267 CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CCC(=O)C4)C)C CPD-8620 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1ccccc1O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9862 C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCC(C(=O)O)N)C(=O)N[C@H](C)C(=O)O)N CPD0-1183 CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8406 CCCCCCCC/C=C\CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H](C(O1)[n@@]2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-7221 C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]([NH+]2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C CPD-9211 COc1ccc(cc1OC)C=O VERATRALDEHYDE C(C(C(=O)COP(=O)([O-])[O-])O)O ERYTHRULOSE-1P c1cc(c(cc1[N+](=O)[O-])O)O CPD-158 CC(=CCC/C(=C/CC/C(=C/C=C)/C)/C)C CPD-8846 CC(C)C#N CPD-4864 C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO CPD-4210 C/C(=C\C=C\C=C(/C)\C=C\C=O)/C=C/C=C(\C)/C=C=C1C(CC(CC1(C)O)O)(C)C CPD-7198 CC1=CCC2([C@H]1C2)C(C)C CPD-4894 COc1cc(ccc1O)CC(=O)[O-] CPD-7651 COc1ccc(cc1)C2C(Oc3cc(ccc3C2=O)O)O CPD-3502 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9869 c1ccc(cc1)CS(=O)(=O)F CPD-5541 Cc1ccc(nc1)C(=O)[O-] CPD-9149 Cn1ccc(c(c1=O)C#N)OC RICININE CO[C@H]1[C@H]([C@H](C([C@H](C1O)O)O)O)O CPD-1701 c1cc(ccc1CO)NNC(=O)CC[C@@H](C(=O)[O-])[NH3+] AGARITINE Cc1c2cccc(c2c(c3c1C[C@@H]4[C@H](C(=C(C(=O)[C@@]4(C3=O)O)C(=O)N)[O-])[NH+](C)C)O)O ANHYDROTETRACYCLINE C[C@@]\1([C@@H](C2=N/C1=C\c3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] CPD-9038 C(CSC(F)(F)F)C(C(=O)[O-])[NH3+] TRIFLUOROMETHIONINE CC(=O)NCCS CPD-10671 c1ccc(cc1)C(C(=O)[O-])C(=O)[O-] CPD-2462 C/C(=C/C(=C\C(=O)[O-])/Cl)/C(=O)[O-] CPD-10646 COc1ccc(cc1O)C2CC(=O)c3c(cc(cc3O2)OC4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O CPD-7073 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)[O-])/C)/C)/C=C/C=C(/C=C/C(=O)[O-])\C CPD-7971 C1C[NH2+][C@@H]([C@H]1O)C(=O)[O-] CPD-664 C=C[C@@H]1C[NH+]2CC[C@@H]1C[C@H]2[C@H](c3ccnc4c3cccc4)O CPD-9847 CCCCCC(=O)[O-] HEXANOATE C[C@@H](CCNc1c2c([nH]cn2)ncn1)CO CPD-332 C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])CO)C(=O)[O-] CPD1F-97 c1ccc(cc1)C2CC(=O)c3ccccc3O2 FLAVONONE-CMPD C(C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)O)O)O)O 6-O-BETA-D-XYLOPYRANOSYL CSCCC(CC(=O)[O-])(C(=O)[O-])O 2-2-METHYLTHIOETHYLMALIC-ACID c1c(nc[nH]1)N AMINO-IMIDAZOLE c1ccc(cc1)F CPD-8871 c1cc(ccc1C(=O)OC2C(C(C(C(O2)CO)O)O)O)N CPD-5804 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)[O-])OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)OC(=O)CC(=O)[O-])O)O)O CPD-7700 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C(=C\c4ccccc4)/CC(=O)[O-])O E-PHENYLITACONYL-COA CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3cccs3)SC1)C(=O)[O-] CPD-9229 C[C@H]1CC[C@@H](COC1=O)C(=C)C CPD-10069 CC[C@H](/C=C/[C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C CPD-4162 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])O[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)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C BETA-D-GLUCOSYL-14-N-ACETYL-D-GLUCOSAMI COc1cc(ccc1O[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)/C=C/C(=C/C(=O)/C=C/c3ccc(c(c3)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)/O CPD-6623 CCCCC(=O)C(=O)[O-] 2-OXOHEXANOATE CC(=O)NC1[C@H](C([C@H](OC1OCC(C(C(COP(=O)(O)OC(C(C(C(COP(=O)(O)OC(C(C(C(COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O)O)CO)O)O N-ACETYL-D-GLUCOSAMINYL-POLYRIBITOL-PHO c1cc(ccc1C(=O)[O-])Cl CPD-615 c1ccc(cc1)C(=O)CC(=O)[O-] BENZOYL-ACETATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C=C/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)C PHYTOENE c1ccc2c(c1)NC(=O)CO2 CPD-6405 *C(=O)NC(CO[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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@]5(C[C@@H]([C@H](C(O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O[C@@]6(C[C@H]([C@@H](C(O6)[C@H](C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O N-ACETYLNEURAMINYL-ETCETERA-GLUCOSYLCERA CC(CCCC(C1[C@@]2([C@](C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)(CC1)C=O)C)C)C CPD-8608 COc1cc(c2c(c1)O[C@H](CC2=O)c3ccccc3)O CPD-7028 C[N+](C)(C)CCCCP(=O)(CCC(CO)O)[O-] GLYCERYLPHOSPHORYLCHOLINE c1ccc2c(c1)c(c[nH]2)/C=C(\C(=O)[O-])/N ALPHABETA-DIDEHYDROTRYPTOPHAN C[C@H](CC[C@H](C(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 CPD-7240 CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C-](C4=O)C(=O)OC)C CPD-9098 CCC/C=C\C/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10254 Cc1c(c2c3c(cc(c2O)NC(=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@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)OCC(=O)[O-])[O-] RIFAMYCIN-B C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-] CPD-143 CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] TETRACOSANOATE C(C(=O)C(=O)[O-])C(CO)(COP(=O)([O-])[O-])O CPD-7635 CC12CCC(C(C1CCC3(C2CC4C5(C3(CC(C6(C5CC(C(C6)OC(=O)c7ccccc7NC)(C)C=O)C)O)C)O4)C)(C)CO)OC8C(C(C(CO8)OC9C(C(C(C(O9)CO)O)O)O)O)OC1C(C(C(C(O1)CO)O)O)O CPD-10678 C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)OC6[C@H]([C@H]([C@@H](C(O6)CO)O)O)O)C)C)(C)C=O)O CPD-9472 CC(=O)NC(CCCNC(=O)N)C(=O)[O-] CPD-7224 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=O)/C)/C CPD-7206 c1ccc2c(c1)C/C(=C/C=C(/C(=O)[O-])\O)/C2=O 1OXO2YLIDENE C1C[NH2+]C1C(=O)[O-] CPD0-1104 c1cc(ccc1/C=C/C(=O)CC(=O)CC(=O)CC(=O)[O-])O CPD-6954 CCC1/c/2c/c3c(c4c([nH]3)/c(c/5\nc(/cc\6/c(c(/c(/[nH]6)c/c(n2)C1C)C(=O)C)C)[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CCCC(C)CC/C=C(\C)/CCC=C(C)C)C)/[C-](C4=O)C(=O)OC)C CPD-9099 C[NH+]1CCC23C=C(C(=O)C=C2C[C@H]1Cc4c3c(c(c(c4)O)OC)OC)OC CPD-9789 CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C6=O)C(=O)OC)C)C)C=C)C=O CPD-7013 CC1=C2CC[C@@]3(CC[C@@H](C(=C)[C@H]3C[C@@H](C2(C)C)C[C@@H]1O)O)C TAXA-42011-DIEN-5A13A-DIOL CCCCCCCCCCc1c(c(c(c(c1O)OC)OC)O)C CPD-7249 C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C CPD-7099 C1=C([C@H]([C@@H]([C@H](C1=O)O)O)O)COP(=O)([O-])[O-] CPD-9667 CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C POLYPRENYL-PHOSPHATE C[C@@]1(CC[C@H]2C(=CCC3[C@@]2(CCC[C@@]3(C)CO)C)C1)C=C CPD-8726 CC(C)CCCC(C)C1CCC\2C1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C VITAMIN_D3 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)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)O)O)O)O)O)O)O)O)O)O)O CPD-8249 CC(C)CC(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)[O-])CC=C(C)C)O CPD-7106 CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8414 c1cc2c(ccc(c2nc1)O)S(=O)(=O)[O-] CPD0-1288 C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCC/N=C/N)O CPD-9231 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[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)OC1 25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET C1CCC2C(C1)O2 CPD-10095 c1cc2c(cc1[C@@H]3C4CO[C@@H](C4CO3)c5ccc6c(c5)OCO6)OCO2 CPD-8922 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H](C=O)O)O)O)O)O CPD-3785 CC(C)[C@H](C(=O)[O-])[NH3+] CPD-3642 C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C GLYCODEOXYCHOLIC_ACID Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O 34-DIHYDROXY-910-SECOANDROSTA-13510 CC(=O)N/C=C(/CC(=O)[O-])\C(=O)[O-] CPD-565 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8295 C1[C@@H]([C@H]([C@@H]([C@H]([NH2+]1)CO)O)O)O 1-DEOXYNOJIRIMYCIN c1cnn(c1)C[C@@H](C(=O)[O-])[NH3+] CPD-670 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9724 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC[S+](C)C)O CPD-10473 C([C@@H](C(=O)[O-])[NH3+])SCSC[C@@H](C(=O)[O-])[NH3+] CPD-3740 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)([O-])OCC[N+](C)(C)C)[NH3+])O CPD-481 CCc1ccc(cc1)C(=O)[O-] CPD-9172 CC(=CCC/C(=C/CC[C@](C)([C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@]2(CC[C@@H](C3(C)C)O)C)C)O)/C)C CPD-10307 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C CPD-7892 [cH-]1c(=O)nc(s1)c2nc3ccc(cc3s2)O OXIDIZED-PHOTINUS-LUCIFERIN c1c(cc(c(c1Br)[O-])Br)C(=O)[O-] 35-DIBROMO-4-HYDROXY-BENZOATE c1ccc2c(c1)c(c[nH]2)C/C(=N/O)/SC[C@@H](C(=O)O)N CPD-7547 CCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCC CPD-7909 C[C@H]1CC[C@@H](C[C@H]1O)C(=C)C CPD-10034 C1C(CNC1C=O)O CPD-6321 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O CPD0-1193 C/C(=C\Cc1c(ccc2c1O[C@@H]3COc4cc(c(cc4[C@@H]3C2=O)OC)OC)[O-])/CO CPD-9535 C([C@@H](C(=O)[O-])[NH3+])C(=O)NS CPD0-1386 CC(CCC=C(C)C)O CPD-8169 CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8371 CC1=CC[C@H](CC1)C(=C)CCC=C(C)C CPD-8246 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)C CPD-8718 CC(C)C(C(=O)[O-])NC(=O)CC1c2ccccc2NC1=O CPD-9596 CC[C@]12C[C@@]([C@H]3[C@@]4([C@H]1[NH+](CC4)CC=C2)c5ccc(cc5N3C)OC)(C(=O)OC)O DEACETOXYVINDOLINE CCCCCCCCCCCCCCC(C(CCCCCCC/C=C/CCCCCC)O)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)O CPD1G-768 COc1ccc(cc1)C2=COc3cc(cc(c3C2O)O)O DIHYDROBIOCHANIN-A CCCCCCCCCCCCCC(C(=O)[O-])O CPD-8473 Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCO.[Br-] AMINO-ETC-METHYLPYRIMIDINIUM C1CCC(CC1)[NH3+] CPD-303 c1cc(ccc1C2CC(=O)c3cc(c(cc3O2)O)O)O CPD-6996 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CPD-8514 C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)CO[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)CO)O)O)CO[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)\C CPD-8687 CC(C)C(C(=O)C(=O)[O-])C(=O)[O-] CPD-7100 C(CC(C(=O)[O-])[NH3+])CC(=O)[O-] CPD-9400 c1cc(c(cc1[C@@H]2[C@H](Cc3c(cc(c(c3O2)[C@@H]4c5c(cc(cc5O[C@@H]([C@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O CPD-7631 CC(=C)[C@@H]1CC[C@]([C@H](C1)O)(C)O CPD-8222 C1=C(C(=O)C=C(C1O)/C=C\C(=O)[O-])[O-] CPD-8095 CC/C=C\CC1C(CCC1=O)CC(=O)[O-] CPD-5941 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4cc(c(c(c4)OC)O)OC)O SINAPOYL-COA CCCCCCCCCCCCCCC(C(CCCCCCC/C=C/CCCCCC)O)C(=O)OCC1C(C(C(C(O1)OP(=O)([O-])OC/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)O)O)O CPD1G-83 C1CCC(CC1)[N+](=O)[O-] CPD-8139 c1cc(c2c(c1)oc3c(c2=O)c(cc4c3C5CCOC5O4)O)O CPD-4586 C[C@H](CCCC(C)C)[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 CPD-7238 c1ccc(cc1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O CPD0-1324 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](/C=N\[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CCC(=O)N)Cc3ccc(cc3)O)Cc4ccccc4)C)CO CPD-10373 CC1=C(C(CCC1=O)(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=C(C)C)/C)/C CPD-7952 *C(=O)N[C@@H](CO[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[C@]3(C[C@@H]([C@H](C(O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O CPD-7181 C[C@H]1C[C@H]1C2=N[C@@H](CS2)/C=C\CC/C=C/C=C(\C)/CC[C@@H](CC=C)OC CPD-10376 C1=CC(OC1=O)(CC(=O)[O-])S(=O)(=O)[O-] CPD-10420 C[C@@]12C[C@@H](C[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])(C)C(=O)[O-])O CPD-477 C1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O VICIANOSE Cc1c(c(c(cc1O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)O)C DMPBQ C1CC2C3CC(CN2C(=O)C1)C4CC(CC[NH+]4C3)O 13-HYDROXYLUPININE C([C@@H](C(=O)[O-])NC=[NH2+])C(=O)[O-] CPD-1126 C1[C@H]([C@@H]([C@H](O[C@@H]1C(=O)[O-])COP(=O)([O-])[O-])O)O CPD0-1370 CC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)[O-] N-ACETYL-TRYPTOPHAN C[N@+](C)(C)C CPD-7679 Cc1cc(cc(c1O)O)Cl CPD-10616 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)O)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9870 c1c(cc(c(c1O)O)O)C2C(C(c3c(cc(cc3O2)O)O)O)O CPD-7088 C1C(C(C(C[NH2+]1)O)O)O 1-DEOXYXYLONOJIRIMYCIN CC(=CCC(C1=CC(=O)c2c(ccc(c2C1=O)O)O)O)C CPD-9322 c1ccc2c(c1)C(CC2=O)O 3H1INDANONE C(C(CC(=O)[O-])C(=O)[O-])C(=O)[O-] CPD-3571 c1ccc(cc1)CCc2cc(cc(c2)O)O CPD-6963 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8412 CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C(CCCCCCCCCCC)O)O)O CPD-8449 CC(=O)c1ccccc1 PHENYL C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O LACTOYL-COA CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@H]2C(C)C CPD-8792 COc1cc(ccc1O)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O CPD-8673 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSCC(CC(O)OP(=O)([O-])OC4C(CC(O4)n5cnc6c5ncnc6N)OP(=O)([O-])[O-])O)O PAP-MALONYL-COA CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-] CPD-420 CCc1c(/c/2c/c3c(c(/c(/n3)c/c4n/c(c\5/[c@-](c(=O)c6c5n/c(/c6C)c\c1n2)C(=O)OC)/[C@H]([C@@H]4C)CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C=C)C CPD-8155 c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NC[C@H]2CNc3c(c(=O)nc([nH]3)O)N2 CPD-9015 CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7763 CC1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C2=O)C(C(C(=C3C(=O)/C(=C/C(C(C(C(C(C(C(C1O)C)O)C)O)C)O)C)/C)[O-])C)O)/C CPD-10241 Cc1cc(cc(c1C(=O)[O-])O)O CPD-47 CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCC=C(C)C)C)[C@H](C6=O)C(=O)OC)C)C)C=C)C CPD-7006 CCCC(=O)O[C@]12[C@@]([C@H]1[C@H]3[C@@]([C@H]4[C@@](C(=O)C(=C4)C)(CC(=C3)C)O)([C@@H]([C@H]2O)C)O)(C)C PHORBOL-13-BUTANOATE c1ccc(cc1)c2ccccc2O CPD-946 c1ccc2c(c1)c(c[nH]2)CCNO N-HYDROXYL-TRYPTAMINE C(CC(C(=O)[O-])[NH3+])CC(C(=O)[O-])NO CPD0-1499 CCC(=O)C(=O)CC CPD-9078 CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8419 CC(=O)OCCC1c2c(cc3c(c2O)C(=O)c4c(cc(cc4O)[O-])C3=O)OC1O CPD-10170 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]3[C@H]2OP(=O)(O3)[O-])O)O)O)[NH3+])O)O)O 6-A-D-GLUCOSAMINYL-1D-MYO-INOSITOL-12 CCCC[Hg]Cl CPD-8866 c1cc(ccc1C2C(Oc3cc(c(cc3C2=O)O)O)O)O CPD-6997 c1cc(cc(c1)S(=O)(=O)[O-])c2ccnc3c2ccc4c3nccc4c5ccc(cc5)S(=O)(=O)[O-] CPD-8818 c1ccc2cc(ccc2c1)O CPD-8131 C[C@@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])OP(=O)([O-])OC[C@H]([C@H]([C@H](Cn1c2cc(ccc2cc-3c(=O)[n-]c(=O)nc13)O)O)O)O CPD-7607 c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])[O-] CPD-8179 CC(C)[C@H]1CC[C@@]2(C3C1C(C2=C)CC3)C CPD-8804 CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-7834 CC(C)(c1cccnc1)C(=O)c2cccnc2 CPD-7023 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)O)O)O)O CPD1G-773 COc1cc(cc(c1OC(=O)[C@H](CC(=O)[O-])O)OC)/C=C/C(=O)[O-] SINAPOYL-S-MALATE C1C2CC3CC1CC(C2)OC3=O CPD-745 C[C@@H]1CC[C@@H]2[C@]13CCC(=C)[C@H](C3)C2(C)C CPD-8777 C(CC(C(=O)[O-])[NH3+])C[NH3+] 25-DIAMINOPENTANOATE CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-7832 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O CPD-8546 [S-2] CPD-7046 c1cc2c(c(c1)F)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+] CPD0-922 CC[C@@]12C=CC[NH+]3[C@@H]1[C@@]4(CC3)c5ccc(cc5N([C@H]4[C@]([C@@H]2O)(C(=O)OC)O)C)O 11-O-DEMETHYL-17-O-DEACETYLVINDOLINE CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])C PENICILLIN-N CCCCCCCCCCCCCCCCCC(=O)[O-] STEARIC_ACID C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O ALPHABETA-TREHALOSE C/C(=C\CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)/CO CPD-4206 CC12CC[C@H](CC1CCC3C2C(=O)CC4(C3CC[C@@]4(C(CO)O)O)C)O CORTOLONE c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)[nH]c(=O)[nH]c2=O XDP C(C(C(=O)[O-])C(=O)[O-])C(C(=O)[O-])[NH3+] 1-CARBOXYGLUTAMIC_ACID *O[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)O)O)O D-GALACTOSYL-14-BETA-D-GLUCOSYL-R c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O CPD-8068 C(C1C(=C(C(=O)O1)O)[O-])O CPD-1789 CC1=C(C[C@H](CC1)O)/C=C\C2=CCCC3(C2CCC3[C@H](C)CCCC(C)C)C CPD-10570 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[NH3+] CPD-10121 C(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])NC(=[NH2+])NP(=O)([O-])[O-] N-PHOSPHOLOMBRICINE C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)[NH3+])O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C[NH3+])O)O)[NH3+])[NH3+] CPD-4822 C(F)(F)(Cl)Cl CPD-8223 CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)O DIHYDROTHYMIDINE COc1c(cc(cc1Cl)Cl)Cl TRICHLOROANISOLE B(O)(O)O BORATE c1cc(c(cc1C[C@H](C(=O)[O-])OC(=O)/C=C/c2ccc(c(c2)O)O)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O CPD-7018 C(CC(=O)[O-])C(C(=O)[O-])NC(=O)C[NH3+] CPD-3569 CC(=CCC/C(=C\CO)/C)C CPD-7978 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-])OP(=O)([O-])OP(=O)(O)[O-])O)N CPD0-1410 C(C[NH3+])C[NH2+]CCC(C(=O)O)N CPD-9995 CC(=O)NCCCCC(=O)C(=O)[O-] 2-KETO-6-ACETAMIDOCAPROATE C(Cl)Br CPD-614 CC12CCC(CC1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O UROCORTISOL CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8377 COC(=O)CNC[NH3+] CPD-9014 C[C@H]1C(=O)NC(=O)N1 L-5-METHYLHYDANTOIN C/C=C/SCC(C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD-9317 C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C)O 4-ALPHA-METHYL-5-ALPHA CC1=CC[C@H](CC1=O)C(=C)C CPD-1089 OCl(=O)=O CHLORATE c1ccc(cc1)C/C(=N/O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O BENZYL-DESULFOGLUCOSINOLATE C[C@H](CC[C@@H](C(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 CPD-7239 c1ccc(c(c1)C(=O)[O-])[N+](=O)[O-] CPD-9168 COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)[O-] BIOCHANIN-A *O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1O)O)O)O CPD-8556 *(OC)SC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-10692 c1cc(ccc1N/N=C\2/C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-] CPD-10425 C(C(=O)[O-])[NH2+]CC(=O)[O-] CPD-10189 c1cc(ccc1C[C@@H](C(=O)N[C@@H](CCCNC(=[NH2+])N)C(=O)[O-])[NH3+])O CPD-210 [C@@H]1([C@@H]([C@@H]([C@@H]([C@@H]([C@H]1O)O)O)O)O)O CPD-8061 CC1=CCC(=CC1)C(C)C CPD-8736 CC(=O)N[C@@H](CCCC(=O)C(=O)[O-])C(=O)[O-] N-ACETYL-L-2-AMINO-6-OXO-PIMELATE CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8337 CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8458 CCCCCO PENTANOL C(CCCC(=O)[O-])CCC(=O)[O-] CPD0-1264 [NH4+].[Cl-] NH4CL c1ccc(c(c1)c2cccc(c2O)O)C(=O)[O-] 3-2-CARBOXYPHENYLCATECHOL c1nc2c(n1C3CC(C(O3)COP(=O)([O-])[O-])O)[nH]c(=O)[nH]c2=O CPD0-1468 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(c4ccccc4)O)O CPD-513 [C@@H]1([C@@H]([C@H]([C@@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)O CPD-6747 CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)Cc3ccc(cc3)O)C)CC(C)C)O)CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc4ccc(cc4)O)O)C CPD-10386 C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(CO)C)O)C)C)C)(CC1)C(=O)OC6O[C@H]([C@@H]([C@H]([C@@H]6O)O)O)CO)C CPD-9488 CCCCCCC(=O)[O-] CPD-7619 CC(C)([C@H](C(=O)[O-])O)C(=O)[O-] CPD-1088 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8411 C[NH3+] METHYLAMINE [Mg+2].[Cl-].[Cl-] MGCL2 CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)[O-] CPD-8679 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 CPD-10549 C(CCCCCC[NH3+])CCCCC[NH3+] 112-DIAMINOOCTANE c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)[O-])[O-] CPD-7090 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(CP(=O)(O)[O-])[O-])O)O)N CPD0-1465 CCCCCCCCCCCCCCCCCCCCC CPD-7935 CCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O CPD-8470 C[C@H]1CO1 S-12-EPOXYPROPANE CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCC/C=C\CCCCCCCCC)O CPD-9818 CCOC(=O)[C@H](C)[C@H](C(=O)OCC)O DIETHYL-2R3R-2-METHYL-3-HYDROXYSUCCIN CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8290 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC(CC[NH3+])[NH3+])O)O)N CPD0-1404 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)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O)O)NC(=O)C)CO)NC(=O)CC(C(=O)[O-])[NH3+])NC(=O)C)O)O)O N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F CC(=CCC/C(=C/CC/C(=C/CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)C CPD0-1028 C/C/1=C\CC/C(=C/C[C@@H](CC1)C(=C)C(=O)[O-])/C CPD-9413 CCC1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)/c(c(/c6c/c(n2)C1C)C=C)C)C CPD-9095 C(C(COP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)O)O BISGLYCEROPHOSPHOGLYCEROL C1[C@H]2N(C1=O)[C@@H](C(O2)CC[NH3+])C(=O)[O-] DIHYDROCLAVAMINATE CC1=C(C(CC(C1)O)(C)C)/C=C/C(=O)C CPD-7200 C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])[NH3+])O)O)O)O GLUCOSAMINATE CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O CPD0-1281 CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C 16-17-DIDEHYDROPROGESTERONE C[C@@H](C(=O)OC[C@@H](COP(=O)(O)OC[C@@H](COC=O)OC=O)O)[NH3+] 3-O-L-ALANYL-1-O-PHOSPHATIDYLGLYCEROL c1ccc2c(c1)c(ccn2)O QUINOLIN-4-OL CC1(C(C2C=C3C(C(C4=CC5C(=C(C6=Cc7c(c(c8n7[Fe]([N@@]56)([NH+]34)[N@]2C1=C8)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)N CPD-7903 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)[NH3+])O)O)O DTDP-4-AMINO-46-DIDEOXY-D-GALACTOSE C([C@H]([C@@H]([C@@H](C=O)O)O)O)O LYXOSE CCCCC/C=C/C=C/C(CCCCCCCC(=O)[O-])O CPD-8204 Cc1cc(c(cc1O)O)O CPD-9136 C([C@@H]1C([C@@H](C([C@@H](O1)O[C@H]2C([C@H](OC(C2O)O)CO)O)O)O)O)O CPD-10703 CC(C)(C)[C@@H](/C(=C\c1ccc(cc1)Cl)/n2cncn2)O CPD-7770 C[C@@H]1CC[C@]2(C([C@]1(C)CCC(=C)C=C)CCC=C2C)C CPD-10114 C[NH+]1CCC(C1)CC(=O)CC(=O)[O-] CPD-9779 c1cc2c(cc1O)OC[C@@H]3[C@H]2Oc4c3cc5c(c4)OCO5 CPD-3631 *C(C)C(=O)O 2-ARYLPROPIONATE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCO)O CPD-9282 C/C/1=C\CC/C=C(\CC(=C(C)C)CC1)/C CPD-8747 CC(=O)OCC(C#Cc1ccc(s1)c2cccs2)OC(=O)C 5-34-DIACETOXYBUT-1-YNYL-22-BITHIOP Cn1cncc1C[C@@H](C(=O)[O-])NC(=O)CC[NH3+] CPD-401 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)O)[NH+](C)C OLEANDOMYCIN CCC(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O PROPIONYL_ADENYLATE *C(=O)OC[C@@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)O)O)OC(=O)* CPD-1113 C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C GLYCOLITHOCHOLATE-3-SULFATES C1[C@H]([C@@H](C(=O)C=C1C(=O)[O-])O)[NH3+] CPD-10230 C(C(C(C=[NH2+])O)O)OP(=O)([O-])[O-] CPD-10227 [cH-]1c(=O)[nH]c(=O)[n-]c1=O BARBITURATE C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCC(C(=O)O)N)C(=O)O)N CPD0-1184 C[C@H](/C=C/C(=C)C(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C 57222428-ERGOSTATETRAENOL CC(=C)[C@@H]1CC[C@](OC(=O)C1)(C)O CPD-10059 c1cc2c(cc(nc2c(c1)O)C(=O)[O-])[O-] XANTHURENATE Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])NOC2C(C(C(C(O2)CO)O)O)O CPD-10448 CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC 12-DIDECANOYLGLYCEROL C1[C@H](NC2=C(C1C(=O)[O-])C=C(C(=O)C2=O)C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-] CPD-7244 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)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O CPD-170 CCCCC/C=C\CC(C(/C=C/C(C/C=C\CCCC(=O)[O-])O)O)O CPD-2046 C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCC(C(=O)O)N)C(=O)N[C@H](C)C(=O)NC(CCC[C@@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)O)N CPD0-1181 C(C1C(C(C(C(O1)[NH3+])O)O)O)O D-GALACTOSYLAMINE CCCCCCCCCCCC/C=C/CC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC(CO)O CPD-2184 CCCCCCCC/C=C\C=C\CC(=O)[O-] CPD0-1159 CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O CPD0-1222 c1cc(ccc1CC(C(=O)NC2[C@H](OC([C@@H]2O)[n@@]3cnc4c3ncnc4N)CO)[NH3+])O CPD-10080 C[N+]12CCc3ccccc3C1Cc4ccccc4C2 CIS-N-METHYL-S-781314-TETRAHYDROPRO CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8326 CCCCCCCCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD-10261 C/C(=C/C(=O)[O-])/C=C/[C@@]1([C@]2(C[C@@H](CC1(OC2)C)O)C)O CPD-7729 CCOP(=O)(OCC)Oc1ccc(cc1)N(=O)=O PARAOXON CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@H](CO)O)OC(=O)C/C=C/CCCCCCCCCCCC CPD-8261 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\C=O)\C)/C CPD-881 C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)OP(=O)([O-])[O-])NC(=[NH2+])N)O)NC(=[NH2+])N)O)(CO)O O-14-ALPHA-L-DIHYDROSTREPTOSYL-STREPTID c1cc(ccc1S(=O)(=O)[O-])[Hg]Cl CPD-5401 C[NH2+]CCO CPD-5601 c1cn(cc(c1=O)[O-])C[C@@H](C(=O)[O-])[NH3+] AMINO-ETCETERA-PYRIDIN-1-YL-PROPANOATE c1ccc2c(c1)c3c(s2)ccc(c3O)O 12-DIHYDROXYDIBENZOTHIOPHENE C[C@@H]1Cc2cc(cc(c2C(=O)O1)O)OC 6-METHOXYMELLEIN CC1=CC(=O)C(=C(C1=O)[O-])O CPD0-955 C[C@@H]([C@@H](c1ccccc1)O)[NH3+] CPD-9951 c1cc(ccc1CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+])OCc2cc(oc2)C[NH3+] CPD-7646 C[N+](C)(C)CCOC(=O)/C=C/c1cc(c(c(c1)OC)O)OC O-SINAPOYLCHOLINE CC(=O)NC1[C@H](C[C@](OC1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])O)O CPD0-1123 COc1ccc(cc1)C(c2cncnc2)(C3CC3)O CPD-4022 C(CC(=O)[O-])C(C(CCC(=O)[O-])C(=O)[O-])C(=O)[O-] CPD-7642 CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C CPD-8232 C1CNN=C1 2-PYRAZOLINE C[C@H](C(=O)[O-])O[C@H]1C([C@H](O[C@H](C1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OCC2[C@H](C(C(O2)n3ccc(=O)[nH]c3=O)O)O)CO)O CPD0-1338 c1ccc(cc1)[C@H](C(=O)N)O R-MANDELAMIDE c1cc(ccc1N(CC(=O)[O-])C(=O)N)O N-CARBAMOYL-P-HYDROXY-D-PHENYLGLYCINE C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 15-ANHYDRO-D-GLUCITOL Cc1cccc(c1)CC(CC(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O 3-METHYLBENZYLSUCCINYL-COA CC1=CCCC2(C1CC(CC2)C(=C)C)C CPD-8786 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO)O)O)O)O CPD-379 COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C/c2ccc(c(c2)OC)O)/O CPD-6602 c1ccc2c(c1)C(C(=O)N2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)CC(=O)NC(CC(=O)[O-])C(=O)[O-] CPD-9603 CC(C)C(=O)C CPD0-1307 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH2+]CCC[NH3+])O)O)N CPD0-1402 CC12CCC(=C)C(C1)C3(C2(CCC3)C)C CPD-8238 C1[C@@H](CC[C@H](C1)O)C(=O)[O-] 4-HYDROXYCYCLOHEXANECARBOXYLATE C/C(=C\C=O)/CO CPD-4483 C(C(=O)NCC(=O)[O-])[NH3+] GLYCYLGLYCINE C1=NC2C(=N1)N=C(N=C2[S-])N CPD-5721 c1ccc2c(c1)c(cn2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)NC(CCC(=O)[O-])C(=O)[O-] CPD-9573 CCCCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C/CCCCCCCCC)O)O CPD-9813 CC(=CCc1cc(ccc1O)/C=C\2/C(=C(C(=O)O2)c3ccc(c(c3)CC=C(C)C)O)[O-])C ASPULVINONE-H C[C@@](O)(C(=O)C(=O)[O-])C CPD-231 C#C ACETYLENE c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CPD-8632 c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccc(cc4)OS(=O)(=O)[O-])Cc5ccc(cc5)OS(=O)(=O)[O-] LUCIFERIN C[C@@H]([C@H]1CC[C@@]2([C@@]1(CCC3C2=CC(=O)[C@H]4[C@@]3(C[C@@H](C(=O)C4)O)C)C)O)[C@@H](CCC(C)(C)O)O CPD-331 c1cc(c(cc1C[C@H](C(=O)[O-])O)O)O CPD-6982 C[C@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])COC2=O)O CPD-6974 CCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O CPD-8344 c1ccc2c(c1)c(c[nH]2)C(=O)C=O 3-INDOLEGLYOXAL C(CSC[C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)[C@@H](C(=O)[O-])[NH3+] CPD-564 C1C([C@@H](C(C(O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)O)O CPD0-1202 Cc1c(scn1)CCCl CPD-10432 COc1cccc2c1c(c[nH]2)C/C(=N/OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 4-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE C[n+]1cn(c2c1c(=O)[nH]c(n2)N)[C@H]3C(C([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4C(C([C@@H](O4)n5cnc6c5ncnc6N)OC)O)O)O CPD-8628 Cc1/c/2c/c3n/c(c/4\c5c(c(c/6n5[Mg]n2/c(/c1C=C)c\c7n/c(c6)/C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)/C(=C3C)CCC(=O)[O-] DIVINYL-PROTOCHLOROPHYLLIDE-A CC(C)C(=O)c1c(cc(c(c1O)CC=C(C)C)[O-])O 4-PRENYLPHLORISOBUTYROPHENONE CN1Cc2c(c(cc3c2OCO3)O)-c4c1c5cc6c(cc5cc4)OCO6 10-HYDROXYDIHYDROSANGUINARINE *OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC 1-ALKYL-2-ARACHIDONYL-SN-GLYCERO-3-PCHOL CCCCCCCCCCCC(C(=O)[O-])O CPD-8469 c1cc(ccc1CC(C(=O)[O-])O)O 4-HYDROXYPHENYLLACTATE c1(c(c(c(c(c1Cl)Cl)[O-])Cl)Cl)[O-] TETRACHLOROHYDROQUINONE C[C@]1(CC2[C@]([C@@H](C1)O)(CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CCC([C@@]5(CO)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)C(=O)[O-])C)C)C)C)C CPD-7612 C[C@@H](C1CCC2[C@@]1(CCC3C2CC(=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 CPD-634 C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)[C@@H](C)C=O CPD-7558 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8320 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O)O CPD-3422 CC(=CC[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])C(=C)C)C CPD-9443 CC1(C2CC(=O)C1(CC2O)C)C CPD-863 C/C(=C/CNc1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO CPD-4612 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)[NH3+])SC1)C(=O)[O-] CPD-9227 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O CPD-8366 C[NH+](C)Cc1c[nH]c2c1cccc2 CPD-8915 c1c(cc(c2c1C(=O)c3cc4c(c(c3C2=O)O)[C@@H]5CCO[C@@H]5O4)O)[O-] CPD-10175 C[N@@H+]1CC[C@]23c4c5ccc(c4OC2C(=O)CC=C3[C@H]1C5)OC CPD-7712 C[n+]1ccccc1 CPD-393 CCC(C)C1C(=O)OC(C(C(=O)NC(C(=O)NC2CCC(N(C2=O)C(C(=O)N(C(C(=O)N1)Cc3ccc(cc3)OC)C)C(C)O)O)CCc4ccc(cc4)O)NC(=O)C(CCC(=O)N)NC=O)C CPD-10369 C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C CPD-714 COC(=O)c1ccccc1O CPD-6442 CC(=CCC[C@](C)(C=C)O)C CPD-8997 COc1ccc2c(cc1=O)-c3c(cc(c(c3OC)OC)OC)[C@H](CC2)[NH3+] CPD-9786 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)OS(=O)(=O)[O-])O)O CPD-1822 C[C@@]1([C@@H](C2=[N+]3C1=Cc4c(c(c5n4[Co+2]36n7c(c(c(c7C=C8N6C(=C2)[C@@]([C@@H]8CCC(=O)[O-])(C)CC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])C5)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] CPD-9039 c1[n-]c2c(c(=O)n1)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)[O-])[NH3+])O)O CPD-601 C[C@H]([C@@H](C(=O)N)[NH3+])O CPD0-1351 Cc1cc(c2c(c1O)C(=O)c3c(c(c(c(c3OC)OC)OC)O)C2=O)O CPD-9633 C([C@H]1[C@@H]([C@H](C(=O)O1)O)O)O CPD-368 c1cc[n+](cc1)CC(=O)[O-] CPD0-1105 c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N CPD0-1139 CC(CC(=O)O)[C@H]1CCC2[C@@]1([C@H](CC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CPD-10553 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO CPD-7877 c1ccc2c(c1)C=C[C@@H]([C@@H]2O)O CIS-12-DIHYDRONAPHTHALENE-12-DIOL COc1ccc2c(c1)O[C@@H]3[C@H]2COc4c3ccc(c4)OC5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)[O-])O)O)O CPD-4123 CCCCCCCCCCCCCCCCCCCCCCCCCCCC CPD-9765 C[C@H](CCC[C@@H](C)C(=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 CPD-1834 CC1(C2CCC(O1)(OC(=O)C2)C)C CPD-788 C(CCCCO)CCC/C=C/CCCCCCCC(=O)[O-] 18-HYDROXYOLEATE CCCCCC/C=C\C=O T-2-NONENAL-CMPD C/C=C/1\[C@H]2C[C@H]3C4=Nc5ccccc5C46C[C@@H](C2[C@H]6OC(=O)C)N3[C@@H]1O VOMILENINE C(C(=O)/C(=C(/C(=O)O)\Cl)/Cl)C(=O)O CPD-10641 c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@H]([C@H]([C@H]([C@@H](O4)CO)O)O)OC5[C@H]([C@H]([C@H]([C@@H](O5)CO)O)O)O)O)O)O CPD-7843 COc1cc2ccc(=O)oc2cc1OC3C(C(C(C(O3)CO)O)O)O SCOPOLIN Cc1c(c(c(cn1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O CPD-455 COc1cccc2c1c(=O)c3c(cc4c(c3o2)C5CCOC5O4)OC CPD-4588 c1cc(sc1)CC(=O)NC2C3N(C2=O)C(=C(CS3)/C=C/c4ccc(cc4N(=O)=O)N(=O)=O)C(=O)[O-] CPD-9230 CCCC[N+](=O)[O-] CPD-8145 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)[NH3+])O)O UDP-D-GLUCOSAMINE C\1=CC(=O)O/C1=C\C(=O)[O-] CPD-10608 CC/C=C\CC1[C@H](CCC1=O)CC(=O)[O-] CPD-734 CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] 5Z8Z11Z14Z17Z-EICOSAPENTAENOATE c1c(nc(nc1Cl)N)N CPD-9358 C([C@@H]1C([C@@H](C(C(O1)OC(COP(=O)(O)OC(C(C(C(COP(=O)(O)O)O)O)O)O)C(C(C(O)OP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O CPD-8187 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)([O-])[O-] CPD-3723 CC[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C CPD-7190 c1nc(c2c(n1)[n@@](cn2)C3[C@@H](C(=O)[C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N CPD-10076 CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C CPD-8764 COc1cc(cc(c1O)OC)C(=O)[O-] CPD-8486 c1cnc(nc1CC(C(=O)[O-])[NH3+])N LATHYRINE C[C@@H]1[C@H]2C(=O)N[C@H](C3=N[C@@H]([C@H](O3)C)C(=O)N[C@H](C4=N[C@@H]([C@H](O4)C)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C CPD-10405 C1(=O)C2(C(=NC(=O)N1)N=C(N2)O)O 5-HYDROXYISOURATE CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8272 CCC(C)CO CPD-7033 [NH4][Pt]([NH4])(Cl)Cl CPD0-1392 CCCCS/C(=N\c1cccnc1)/SCc2ccc(cc2)C(C)(C)C CPD-9542 C([NH3+])P(=O)([O-])[O-] CPD0-1074 c1cc(ccc1C(C(=O)[O-])O)O 4-HYDROXYMANDELATE CC(C)C1=CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)CO)C CPD-8705 [C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1O)OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])O)O CPD-6783 C1[C@H]([C@@H]([C@H](O[C@H]1C(=O)[O-])COP(=O)([O-])[O-])O)O CPD0-1373 COc1cc(cc(c1)OC)O CPD-9499 c1ccc(cc1)CC2c3ccccc3CC[NH2+]2 RS-TETRAHYDROBENZYLISOQUINOLINE CC(=O)C(=O)CCCCCC(=O)O CPD0-1485 C[C@@H]1[C@@H]2C(N(CN2c3c([nH]c(nc3=O)N)N1)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](COC5[C@@H]([C@@H](C(O5)COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O)C CPD-10 CC(=NCCC(=O)[O-])C(=O)[O-] CPD-311 Cn1c2c(c(=O)[nH]c1=O)[nH]cn2 3-METHYLXANTHINE CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10283 [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)O D-MYO-INOSITOL-34-BISPHOSPHATE 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 CPD-10503 Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)CCC(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O BILIRUBIN-BISGLUCURONOSIDE C[C@@H]1CC[C@@H](CC(=O)O1)C(=C)C CPD-10064 C(CC[NH3+])CCNC(=O)N N-CARBAMOYLCADAVERINE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(CC(=O)[C@H](CC(=O)[O-])[NH3+])[O-])O)O)N CPD0-916 CC(=CCc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)OC)[O-])C CPD-7119 c1ccc2c(c1)C=CC(=O)C2=O CPD-4895 C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O CPD-9394 CCC(C)[NH3+] CPD-3627 C(CCCCO)CCCC1C(O1)CCCCCCCC(=O)[O-] 910-EPOXY-18-HYDROXYSTEARATE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCC(=O)CBr)O)O CPD0-1314 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(C=O)O)CCC4=CC(=O)CC[C@]34C 20-HYDROXY-3-OXOPREGN-4-EN-21-AL CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8268 c1ccc(cc1)/C=C/C(=O)[O-] CPD-674 CC(C)CCCCCCC(=O)NCc1ccc(c(c1)OC)O CPD-9185 *C(=[O-])C(CCC1N=CC(=N1)CC(C(=O)[O-])[NH3+])N* 2-3-CARBOXY-3-AMINOPROPYL-L-HISTIDINE C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)OC)O)OC S-RETICULINE C1=CO[C@@H]([C@@H]([C@@H]1O)O)CO CPD0-1300 COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C@@H]3CO2)c4ccc(c(c4)OC)O CPD-8906 C1=CC(=C(C(C1O)O)Cl)Cl CPD-10610 C(=C\C(=O)[O-])\C(=C/C(=O)[O-])\O 3-HYDROXY-CISCIS-MUCONATE CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@](C3CC2)(C)C=O)C CPD-8716 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O CPD1G-1346 COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)OC)OC TETRAHYDROPALMATINE C1=CC(=O)C(=CC1=O)[O-] HYDROXYBENZOQUINONE C1=CC(=O)C(=N)C(=C1)C(=O)[O-] CPD-386 CC(C)C1=CC2=CCC3[C@](CCC[C@@]3([C@H]2CC1)C)(C)CO CPD-8691 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCC/C=C\C/C=C\CCCCC CPD-2189 c1cc(sc1)C(=O)/C=C(/C(F)(F)F)\[O-] CPD-5743 C(CO)CO CPD-347 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O 1-KESTOTRIOSE CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O CPD0-1152 C[C@@H]1[C@H](C[C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O)O CPD-9698 c1cc(oc1)/C(=C\c2ccc(o2)[N+](=O)[O-])/C(=O)N CPD-2204 C1[C@H]([C@H](CSS1)O)O 45-CIS-DIHYDROXY-12-DITHIACYCLOHEXANE c1ccc(cc1)c2ccc(cc2)CCCC(P(=O)(O[K])O[K])P(=O)(O[K])O[K] CPD-9929 CC([C@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O L-RHAMNOFURANOSE CCC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] CPD-8878 Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)[C@@H]5CCCN5C(=O)[C@H](NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C ACTINOMYCIN c1ccc2c(c1)cccc2CC(=O)N ALPHA-NAPHTHALENEACETAMIDE CC1(CCCC2(C3C1C2C(=C)CC3)C)C CPD-8752 C[C@@H]([C@@H](CC(=O)C(=O)[O-])O)O DEHYDRO-3-DEOXY-L-RHAMNONATE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccccc4)O BENZOYLCOA CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CC/C=C\CCCCCCCCC)O CPD-8428 COc1cc(c(c(c1)OC)C(=O)/C=C/c2ccc(cc2)O)O CPD-7126 c1cc(ccc1C(=O)O)NCC2CNc3c(c(nc(n3)N)O)N2 CPD-9020 C1CC([NH2+]C(C1)C(=O)[O-])C(=O)[O-] D1-PIPERIDINE-DICARBOXYLATE CCOC(=S)[S-] XANTHATE CC(=CCC/C(=C\CC/C(=C/COP(=O)(O)O[C@H]1C([C@H](C([C@H](O1)CO)O)O)O)/C)/C)C POLYPRENYLPHOSPHATE-GLUCOSE CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8284 CNc1nc(nc(n1)O)O CPD-9335 C(CONC(=O)N)C(C(=O)[O-])[NH3+] O-UREIDOHOMOSERINE CCCCC(CC)COC(=O)c1ccccc1C(=O)[O-] 2-ETHYLHEXYL-PHTHALATE CC(=O)C(C(=O)[O-])N 3-K-THR CCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8432 CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-7302 C(CC=O)C[NH2+]CCC[NH3+] CPD-6121 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)C)OC6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O CPD-9460 COc1cc2c(cc1OC)OC[C@@H]3[C@H]2[C@H](c4ccc5c(c4O3)C[C@@H](O5)C(=C)CO)O CPD-9711 C(C[NH3+])CNC(=O)N N-CARBAMOYLDIAMINOPROPANE C[c-]1c(=O)c(c(o1)C)OC CPD-10213 C([C@@H](C(=O)[O-])NC(=[NH2+])N)C(=O)[O-] CPD-599 CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3COC(O3Cn4ccnc4)c5ccccc5 CPD-3981 C[NH+](C)[C@@H](Cc1c[nH]cn1)C(=O)[O-] NALPHANALPHA-DIMETHYL-L-HISTIDINE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)[C@@H](Cc4ccccc4)CC(=O)[O-])O S-BENZYLSUCCINYL-COA c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/c5ccc(c(c5)O)O)O)O)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O CPD-7140 CC1=CCC[C@@]([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]2[C@@](CCC=C2C)(C)C)\C)\C)/C)/C)(C)C CPD-7414 CC(=C)/C=C/CC(C)(C=C)O CPD-7983 CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)CO)C)C)O)O CPD-5201 CC1CNC(=O)CCC2(C(C3CC4C(C(C5=C(C6C(C(C7=CC8C(C(C9=C(C2N3[Co+](N45)(N89)(N67)N2CN(c3c2ccc(c3)O)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O1)[O-])O)C)CCC(=O)N)(C)C)CC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C CPD-7162 COc1ccc2c(c1O)CN3CCc4cc(c(cc4[C@H]3C2)O)OC S-SCOULERINE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])C(=O)c4ccccc4)O BENZOYLSUCCINYL-COA C(=[NH2+])(N)[S-] CPD-3741 c1c2c(cc(c1OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)N[C@@H](C2)C(=O)[O-] CPD-8656 C[C@@H]1CC[C@H](C(=O)C1)C(C)C CPD-1909 [C@@H]1([C@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)OP(=O)([O-])[O-])O)O)O CPD-6702 CC(CC[C@@H](C(C)(C)O)O)C1CCC\2C1(CCC/C2=C\C=C/3\CC(C[C@@H](C3=C)O)O)C CPD-10577 C(=C\C(=O)[O-])\C=C(C(=O)[O-])C(=O)[O-] CPD-240 c1cc(ccc1N(=O)=O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O CPD-9116 C[C@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])OC2=O)O CPD1F-137 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)O[C@H]3[C@H](Oc4cc(ccc4C3=O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O FLAVONOL-3-O-L-RHAMNOSYLGLUCOSIDE CCC(C)[Hg+].[Br-] CPD-8867 C[N+](C)(C)CCC(=O)[O-] CPD-6181 CSCCC(C(=O)[O-])NC(=O)[O-] CPD-3738 c12c(nc(c(n1)O)O)nc(nc2O)O TETRAHYDROXYPTERIDINE C(CC(C(=O)O)N)CNC(=S)N THIOCITRULLINE CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC CPD-7753 CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8384 CC1=C2[N+]3=C([C@@]([C@@H]2CCC(=O)[O-])(C)C)CC4=[N+]5[Co+2]36[N+]7=C(C(=C5[C@]([C@@H]4CCC(=O)[O-])(CC(=O)[O-])C)C)[C@H]([C@@]([C@@]7([C@@H]8[N+]6=C1[C@@]([C@H]8CC(=O)[O-])(CCC(=O)[O-])C)C)(CC(=O)[O-])C)CCC(=O)[O-] CPD-9049 c1cc(c2c(c1)oc-3cc(=O)c4c(c3n2)c(cc(n4)C(=O)[O-])[O-])C(=O)CC(C(=O)[O-])[NH3+] XANTHOMMATIN CC(C)/C=C/CCCCC(=O)OC/C=C/c1ccc(c(c1)OC)O CPD-10356 CC(=O)/C(=C\C=C(/C(=O)[O-])\O)/[N+](=O)[O-] CPD-9143 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)C)O CPD-9459 C1(=O)C(=O)NC(=O)NC1=O CPD-3684 C[C@]1([C@H]([C@@H]2[C@]3([C@@]([C@@H](C4=CC5=[N+]6C(=C([C@]5(C)CC(=O)[O-])CCC(=O)[O-])CC7(C(=C(C8=CC1=[N+]2[Co+2]6(N43)N87)CCC(=O)[O-])CC(=O)[O-])C)CCC(=O)[O-])(C)CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-] CPD-9044 COc1cc(cc(c1O)OC)/C=C/CO SINAPYL-ALCOHOL C[C@@H]([C@H](/C(=C/C(=O)[O-])/O)O)O 2-DEHYDRO-3-DEOXY-D-FUCONATE C(COCC(C(=O)[O-])[NH3+])[NH3+] CPD-7699 C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-8646 C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CPD-345 COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](C(=O)O)N CPD-8982 CCCCCCCCCCC CPD-9289 COc1cc(ccc1O)c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-] ISOSCOPARIN CC1=C2[C@@]([C@H]([C@H]([C@H]3[C@](C[C@@H]2O)(CC[C@@H](C3=C)OC(=O)C)C)OC(=O)C)[C@H](C1)OC(=O)C)(C)C 10-DESACETYLTAXUYUNNANIN-C CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8163 C[C@H]1[C@@H](N(c2c([nH]c(nc2=O)N)N1)C=O)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O FORMYL-THMPT C(C(=O)[C@@H](C(=O)[O-])N)OP(=O)([O-])[O-] 2-AMINO-3-OXO-4-PHOSPHONOOXYBUTYRATE CCCCCCCO CPD-9057 c1cc(c(cc1CC/N=C\C=C\2/C[C@H](NC(=C2)C(=O)[O-])C(=O)[O-])O)O CPD-8659 c1ccc(c(c1)C(=O)[O-])NC2C(C(C(O2)COP(=O)([O-])[O-])O)O N-5-PHOSPHORIBOSYL-ANTHRANILATE CCCCS(=N)(=O)CCC(C(=O)[O-])[NH3+] BUTHIONINE-SULFOXIMINE c1cc(cc(c1)F)NC(=O)Nc2ccnc(c2)Cl CPD-5483 CCCCCc1cc(c2c(c1)OC(C=C2)(C)CCC=C(C)C)O CPD-7174 CC(=CCC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)C CPD-461 CCC\1=C(C=2=CC3C(=C(/C(=C/C4=NC([C@H]([C@@H]4C)CCC(=O)O)C5=C6=C(C(=C(N6)/C=C1\N2)C)C(=O)C5)/N3)C)C=C)C CPD-10296 CC1=CC[C@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C CPD-8795 c1ccc2c(c1)N(C(=O)C(O2)O)[O-] CPD-6365 Cc1c(ccc[n+]1Cc2cnc(nc2N)C)CCOP(=O)([O-])[O-] CPD0-1426 COc1cc(cc(c1O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CPD-8605 c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)[O-] CPD-8259 C1CC(=NC1)C(=O)[O-] 1-PYROLINE-2-CARBOXYLATE c1cc(nc(c1C(=O)[O-])O)O CPD-6962 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H](C(O4)O)O)O)O)OP(=O)([O-])[O-])N CPD-861 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]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O)C)O[C@H]7[C@@H](C([C@@H]([C@H](O7)CO)O)O)O)C CPD-9249 C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)O ALPHA-ANDROSTAN-3BETA17BETA-DIOL CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)[C@H]([C@@H]7CCC(=O)[O-])C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C CHLOROPHYLLIDE-A CC(C)CC(=O)c1c(c(c(c(c1O)CC=C(C)C)[O-])CC=C(C)C)O CPD-7105 C[C@@H](C(C(=O)[O-])O)C(=O)[O-] CPD-7066 Cn1cnc-2ncnc2c1N 1-METHYLADENINE C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H](OC2Oc3cc(c(c(c3)O)C(=O)CCc4ccc(cc4)O)O)CO)O)O)O)O)O CPD-7067 C1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O CPD-490 Cc1cc(cc(c1)OC)OC CPD-9502 CC(C)c1c2c(c(c(c1O)[O-])C=O)C(=O)C3CC=C(CC3(C2=O)C)CCC=C(C)C CPD-9743 c1ccc(cc1)CC(C(=O)[O-])NC(=O)CC2c3ccccc3NC2=O CPD-9595 C(CS)C(=O)[O-] CPD-7673 CS(=O)(=O)[O-] CPD-3746 C[C@@H](C(=O)[O-])OP(=O)([O-])OC[C@H]([C@H]([C@H](Cn1c2cc(ccc2cc-3c(=O)[n-]c(=O)nc13)O)O)O)O CPD-10333 c1ccc(c(c1)O)OC(=O)/C=C\C=C(/C(=O)[O-])\O CPD-924 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O BIFURCOSE c1[nH+]c2c(c(n1)N)ncn2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OCC4C(=C(C5C(O4)Nc6c(c(=O)[nH]c(n6)N)N5)S)[S-])O)O CPD-8122 COc1cc(ccc1O)/C=C/c2ccc(c(c2)OC)O 12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)Cc3ccccc3)C)[C@@H](C)O)O)Cc4ccc(cc4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc5ccc(cc5)O)O)C CPD-10382 CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)[O-] CPD-10245 c1ccc2cnccc2c1 ISOQUINOLINE C[C@@H](C(=O)OC)O CPD-3621 c1ccc2c(c1)c(c[nH]2)CC(=O)O[C@H]3[C@H]([C@H]([C@@H]([C@H]([C@@H]3O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O 5-O-INDOL-3-YLACETYL-MYO-ETCETERA CC(C)Nc1nc(nc(n1)O)O N-ISOPROPYLAMMELIDE c1ccc2c(c1)c(c[nH]2)C=O INDOLE-3-CARBOXALDEHYDE c1cc(ccc1N=C2C=C(C(=O)C(=C2)Cl)Cl)O DCPIP COc1ccc2c(c1)c(ccn2)C(=O)C3C[C@H]4CCN3C[C@@H]4C=C CPD-9848 CC1C(C(C(C(O1)Oc2cc(c3c(c2)oc(c(c3=O)OC4C(C(C(C(O4)CO)O)O)O)c5ccc(c(c5)O)O)O)O)O)O CPD-5521 C[C@@H](CO)NC(=O)CC[C@@H](C(=O)[O-])[NH3+] CPD-9373 C/C=C/1\[C@H]2C[C@H]3C4=Nc5ccccc5C46C[C@@H](C2[C@H]6OC(=O)C)N3[C@@H]1O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O RAUCAFFRICINE C([C@@H]1C(C([C@@H](O1)O)O)O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] RIBOSE-TRIPHOSPHATE C(C(COP(=O)([O-])OCC(CO)O)O)O GLYCEROPHOSPHOGLYCEROL CC(=O)N[C@@H]1[C@H]([C@@H](C(O[C@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)C(=O)[O-])O)O UDP-N-ACETYL-2-AMINO-D-GLUCURONATE C1C2CC3CC(C2)(CC1C3=O)O CPD-744 C(C(CO)(COP(=O)([O-])[O-])O)C(C(=O)[O-])(O)OP(=O)([O-])[O-] CPD-7634 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC CPD-7817 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8314 COC(=O)Cc1c[nH]c2c1cccc2 CPD-10546 Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Mg]n2c(c1CCC(=O)OC)/cc/6\nc(\c5)C(=C6CCC(=O)[O-])C)C)C=C)C(=C3C=C)C MG-PROTOPORPHYRIN-MONOMETHYL-ESTER c1ccc(cc1)CN=C=S BENZYL-ISOTHIOCYANATE c1ccc(cc1)C2CO2 CPD-228 *C(C=O)NC(=O)C(*)NC(=O)C(*)N PEPTIDAMIDE-CPD c1ccc(cc1)CC(=[NH2+])N CPD0-1430 C[C@@H]1CC[C@@H](C(=O)C1)C(C)C CPD-4943 Cc1cccc(c1)C=O CPD-8774 c1cc(c(cc1C=C2C(=O)c3c(cc(cc3O2)[O-])O)O)O CPD-2982 C(CS)O 2-MERCAPTOETHANOL CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8407 CC12CC[C@H](CC1CCC3C2C(CC4(C3CC[C@@]4(C(CO)O)O)C)O)O CORTOL C[C@H](CCC[C@@H](C)[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)C=O CPD-10587 CC(C1=CC[C@H]2[C@]3([C@@H]([C@@](CCC3)(C)C)CCC2=C1)C)C CPD-9921 C1=CC(=O)OC1CO L-ERYTHRO-ASCORBATE c1cc(c(cc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)Oc3cc(cc4c3cc(c([o+]4)c5cc(c(c(c5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)OC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)[O-])O)O)O)O)O CPD-7963 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O)CO)CO)O)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O GAL-GLCNAC-GAL-GLC c1ccc(cc1)c2ccc(cc2)CCCC(P(=O)(O[K])O[K])S(=O)(=O)O[K] CPD-9928 CC(C(=O)[O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O CPD-7606 C1=CC(=C[C@@]([C@H]1O)(C(=O)[O-])O)Cl CPD-10619 CC(C)(COCCCO)Nc1cccc2c1CCCC2=O 5-TERT-BUTYLAMINOL-2-HYDROXYPRO-34-DIHYD CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)OC)/C)/C)/C)/C)/C)C 2-HEXAPRENYL-6-METHOXYPHENOL CCN(CC)C(=S)[S-] DIETHYLDITHIOCARBAMATE COc1cc2c(cc1[C@@H]3COc4cc(cc(c4C3=O)O)[O-])OCO2 CPD-4565 C1C(=C(N2[C@H](S1)[C@@](C2=O)(NC(=O)CCC[C@H](C(=O)[O-])[NH3+])O)C(=O)[O-])COC(=O)N CPD-9125 COP(=O)([O-])OCCNC(=[NH2+])N GUANIDINOETHYL-METHYL-PHOSPHATE c1cc(c(cc1Cl)Cl)O 24-DICHLOROPHENOL CC(=O)C=C CPD-8847 c1cc(c(c2c1ccc(=O)o2)O)O 78-DIHYDROXYCOUMARIN 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-] CPD-9226 c1cc(c(cc1[C@@H]2[C@H]([C@H](c3c(cc(cc3O2)O)O)O)O)O)O CPD-590 c1ccc(c(c1)C=O)O SALICYLALDEHYDE CC(=O)NC1C(C(C(OC1OP(=O)([O-])[O-])CO)O)O N-ACETYLD-D-MANNOSAMINE-1P *N(*)[Fe]1(S[Fe](S1)(S*)S*)N(*)* CPD0-1098 c1ccc2c(c1)C(=O)C=C(C2=O)[O-] CPD-9608 C1C2([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H](O[C@H]3O1)CO)O DFA-III COc1cc(ccc1O)c2c(c(=O)c3c(o2)cc(c(c3O)O)OC)OC CPD-10520 C1C=CN(C=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CPD-7229 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2C([C@@H]([C@H](OC2O)CO)O)O)O)O)O)O ALPHA-KOJIBIOSE CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5[C@H]([C@H]([C@@H](C(O5)[C@H](CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6[C@@H](C([C@@H]([C@H](O6)COC7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)OC8C([C@H]([C@@H]([C@H](O8)CO)O)O)OC9[C@@H]([C@H]([C@@H]([C@H](O9)COC1[C@H]([C@H]([C@@H](C(O1)[C@H](CO)O)O)O)O)O)O)O)O)O)O)O[C@@]1(C[C@H]([C@H]([C@H](O1)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-939 CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O LAUROYLCOA-CPD C[C@]1(O[C@@H]2[C@]3([C@H]1CC(=O)[C@@]4([C@@H]3CC[C@@]5([C@@]46O[C@@H]6C(=O)O[C@H]5c7cocc7)C)C)COC(=O)C2)C LIMONIN [C@H]([C@@H]([C@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O CPD0-1090 C(=C\C(=O)[O-])\C=C(/C(=O)[O-])\O CPD-8720 C([C@H](C(=O)CO)O)O D-ERYTHRULOSE CN(C)c1ccc(cc1)/N=N/c2ccccc2C(=O)[O-] CPD0-1147 CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)[O-] CPD-8680 C([C@@H]([C@H]([C@@H](C(=O)C=O)O)O)O)O L-SORBOSONE C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[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 TAUROLITHOCHOLATE C[C@@]([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1oc(cc1)[O-])(COP(=O)(OP(=O)(OC[C@@H]2O[C@@H](C(C2OP(=O)([O-])[O-])O)n3c4ncnc(c4nc3)N)[O-])[O-])C S-5-HYDROXY-2-FUROYL-COA CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8292 c1cc(c(cc1C(O)O)C(O)O)Br CPD0-1269 c1ccc(c(c1)C(=O)[O-])NO CPD-9169 C=C1C=CC(=O)O1 CPD-10640 CCCCCCCCCCCCCCCCCCCC(=O)C CPD-7891 c1cc2cccnc2c(c1)O 8-HYDROXYQUINOLINE CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C=O 19-OXO-TESTOSTERONE CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)[O-])O)C)C CPD-8613 c1ccc(cc1)Cl CHLOROBENZENE CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)OC9(CC(C(C(O9)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-937 CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C CPD-8089 c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-] 13-DINITROBENZENE c1cc(ccc1CO)[N+](=O)[O-] CPD-702 CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOc1ccc2c(c1)Nc3ccccc3N2 DIHYDROMETHANOPHENAZINE C1CCOC(=O)C1 5-VALEROLACTONE C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C 17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O C(C(=O)NO)OP(=O)([O-])[O-] CPD0-1102 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O CPD-8067 C(CC(=O)[O-])[C@@H](C(=O)OP(=O)([O-])[O-])[NH3+] ALPHA-L-GLUTAMYL-PHOSPHATE c1ccc2c(c1)[nH]c-3c(c(=O)ccc3n2)C(=O)[O-] CPD-9547 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9646 C([C@@H]([C@H](CS)O)O)S DITHIOTHREITOL COc1cc(ccc1O)C[C@H]2COC([C@@H]2Cc3ccc(c(c3)OC)O)O CPD-8911 C(C(=O)C(C(=O)[O-])O)O 3-KETOTHREONATE C(S)(Cl)(Cl)Cl CPD-8211 *OCC(COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC 1-ALKYL-2-ARACHIDONYL-SN-GLYCERO-3-PETH c1ccc(cc1)CC(C(=O)[O-])O CPD-7999 COc1c2ccc(=O)oc2c3ccoc3c1OC CPD-9834 C/C=C\1/CN2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@H]1C3C=O 16-EPIVELLOSIMINE *OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2OC)N)C)O)OP(=O)([O-])O* CPD0-963 C(C1C(C(C(O1)(CO)OCC2C(C(C(O2)(CO)OCC3C(C(C(C(O3)OC4(C(C(C(O4)CO)O)O)CO)O)O)O)O)O)O)O)O CPD-2281 CC1=C2CC[C@@]3(CC[C@@H](C(=C)[C@H]3C[C@@H](C2(C)C)CC1)O)C TAXA-42011-DIEN-5A-OL 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(=CC35OCC(=O)O5)C2=O)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O RIFAMYCIN-O CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1 CPD-1947 C[C@H](CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C CPD-72 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8307 C[As](=O)(C)[O-] DIMETHYLARSINATE CC1(CCCC1(C)C2CCC(=C)C=C2)C CPD-8248 CCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C/CCCCCCCCC)O)O CPD-9810 c1([nH]c(=O)nc(n1)N)N CPD-7399 CCc1c(/c/2c/c3c(c(c([nH]3)/cc\4/c(c(c(n4)c5[c-](c(=O)c6c5[nH]/c(/c6C)c\c1n2)C(=O)OC)/C=C/C(=O)[O-])C)C)C=C)C CPD-10336 CC(C)[C@H](C(=O)[O-])NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)[O-])[NH3+] N-5S-5-AMINO-5-CARBOXYPENTANOYL-L-CY C[C@@]\1([C@@H](/C/2=C/C3=N/C(=C\C4=C(C(C(=[NH+]4)/C=C\5/[C@@]([C@@H](C(=N5)/C=C1\[NH2+]2)CCC(=O)[O-])(C)CC(=O)N)CC(=O)[O-])CCC(=O)[O-])/C(=C3CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] CPD-7907 COc1ccc(cc1)CC=C CPD-6484 C[C@@]1(CC[C@H]2C(=CCC3[C@@]2(CCC[C@@]3(C)C(O)O)C)C1)C=C CPD-8727 C[C@@H]1[C@H]([C@@H]([C@@H](C(O1)O[C@H]2[C@@H]([C@H]([C@@H](OC2c3c(cc(c4c3oc(cc4=O)c5ccc(cc5)O)O)OC)CO)O)O)O)O)O 7-O-METHYLVITEXIN-2-O-B-L-RHAMNOSIDE c1c(coc1C(=O)[O-])COP(=O)([O-])[O-] CPD-7638 CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C(=O)C CPD-7663 COc1cc(c(c(c1C(=O)/C=C/c2ccccc2)OC)OC)OC CPD-9889 Cc1c(c(c(c(c1O)C2(C(=CC(=O)C(=C2[O-])C(=O)C)[O-])C)O)C(=O)C)O CPD-9639 c1ccc(cc1)C[NH3+] BENZYLAMINE CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)O)OC4[C@H]([C@H]([C@@H](C(O4)[C@H](CO)O)O)O)O)O)OC5(CC(C(C(O5)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]6[C@H]([C@@H]([C@H]([C@H](O6)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-930 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C 14-APO-BETA-CAROTENAL c1ccc(cc1)c2cc(=O)c3ccccc3o2 CPD-8485 C1[C@@H]([C@H]([C@@H]([C@H](C1=O)O)O)O)CO CPD-9666 CC(=O)/C=C/C12C(CC(CC1(O2)C)O)(C)C CPD-7203 C[C@H](C(=O)[O-])O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)COP(=O)([O-])[O-])O)NC(=O)C CPD0-881 c1ccc2c(c1)c(c[nH]2)C(CO)O INDOLE-3-GLYCOL CC(=CCC/C(=C/CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C CPD-9444 C[C@@H]1[C@@H](CCC2=CC[C@H](C[C@]12C)C(=C)C)O CPD-4662 C(=N)([NH3+])SSC(=N)[NH3+] CPD-10146 CS(=O)CC(C(=O)[O-])[NH3+] CPD-9277 c1ccc(c(c1)C(=O)/C=C/C=C(\C(=O)[O-])/O)C(=O)[O-] 2-HYDROXY-6-2-CARBOXYPHENYL-6-OXO-24- CC(=CCC/C(=C/CO)/C)C GERANIOL CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)O)OC4[C@H]([C@H]([C@@H](C(O4)[C@H](CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)OC6(CC(C(C(O6)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-932 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O)O)O CPD-10318 C(C(COP(=O)([O-])[O-])O)O CPD0-1186 COc1cc2c(cc1O)C([NH2+]CC2)Cc3ccc(c(c3)O)O 6-O-METHYLNORLAUDANOSOLINE [C@H]1([C@H]([C@H](O[C@@H]([C@@H]1OC2[C@@H]([C@H]([C@H]([C@H](O2)C(=O)[O-])OC3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O)O CPD-10309 CC1=C(C(=O)c2ccccc2C1=O)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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9723 C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)C CPD-10667 CC[C@H](C)[C@@H](c1n[n-]nn1)[NH3+] CPD0-1234 CC(CO)(C(=O)[O-])[NH3+] CPD-390 CC(C)Nc1nc(nc(n1)Cl)N CPD-801 CSCCC=O CPD-7036 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(CO)C(=O)[O-])O)O)O)O CPD-9190 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)CO)c3c(cc4c(c3O)c(=O)cc(o4)c5ccc(cc5)O)[O-])O)O)O CPD-10345 c1cc(c(c(c1)O)O)C2=NC(CS2)C(=O)N(CCc3cnc[nH]3)O CPD-9990 Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C ALPHA-TOCOPHEROL c1ccc(cc1)NS(=O)(=O)[O-] BENZENAMINE-SULFATE Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] CPD-9132 OP(=O)(O)[O-].[K+] CPD0-1421 CC(=C)[C@H]1CCC2([C@@H](C1)O2)C CPD-10141 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OC1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C D-MANNOSYL-1-PHOSPHOUNDECAPRENOL c1cc(c(cc1SSc2ccc(c(c2)C(=O)[O-])[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-] DITHIO-NITROBENZOATE 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)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)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)CO)O)O)O)O)O)O)O CPD-8560 CC(C)(COP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-])O R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE COc1cc(ccn1)NC(=O)Nc2ccccc2 CPD-5482 COc1cc2c(cc1O)C([NH2+]CC2)Cc3ccc(cc3)O S-COCLAURINE CC(C1=CC2=C([C@@]3(C([C@@](CCC3)(C)C)CC2)C)CC1)C CPD-8697 [W+6] W+6 Cc1c(c(c(c(c1O)O)OC)O)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 CPD-9861 C(CC(=O)[O-])C(C(=O)N)NC=O FORMYL-ISOGLUTAMINE CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)[O-] CPD-7111 c1cc(c(cc1C[C@H](C(=O)[O-])OC(=O)/C=C/c2ccc(c(c2)O)O)O)O CPD-6981 C[C@H](CCC(=C)C(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C 572428-ERGOSTATRIENOL C([C@@H]1[C@H]([C@@H]([C@H](C(O1)OP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-] BETA-GLUCOSE-16-DIPHOSPHATE CCCCCCC(C(C)O)n1cnc2c1ncnc2N EHNA CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O CPD-522 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)[O-])C(=O)[O-])[NH3+] CPD0-1082 CC(=O)n1ccnc1 CPD-434 C[C@H]1CC[C@H]2[C@H]([C@H]3[C@@H]([NH+]2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C CPD-9210 CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)NC(C)C(=O)[O-])C(=O)[O-])[NH3+] CPD0-1085 CCCCCCCCCCCCCCCCCCCCCCC CPD-7947 c1ccc(c(c1)[N+](=O)[O-])S[C@@H]2C(C(C(C(O2)CO)O)O)O CPD0-1303 c1c(c(cc(c1Cl)Cl)O)O CPD-10626 c1cc(c(cc1O)O)O CPD-8130 CCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8454 C(=C\C(=O)[O-])\C(=O)C(C(=O)[O-])Cl CPD-10634 C(CCCCC(=O)[O-])CCC/C=C/C=O 12-OXO-TRANS-10-DODECENOATE Cc1c2c(ccn1)c3ccc(cc3[nH]2)O CPD-9941 CC1=CC=C(CC1)C2(CCCC2(C)C)C CPD-8243 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-] QUERCETIN-34-BISSULFATE c1cc(ncc1O)O 2-5-DIHYDROXYPYRIDINE c1cc(nc(c1O)O)O CPD-2301 [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)O)O CPD-8050 C1=C([C@@]([C@@H](C(=C1Cl)Cl)O)(O)Cl)Cl CPD-10621 *C(=O)N[C@@H](CO[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O 13-BETA-D-GALACTOSYL-N-ACETYL-D-GLU CC(C)C1=CC2=CCC3[C@](CCC[C@@]3([C@H]2CC1)C)(C)C=O CPD-8693 CC12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])OC2=O CPD1F-134 c1ccc(cc1)N=O NITROSOBENZENE CCC[NH3+] CPD-9379 C[C@H](C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O R-LACTOYL-COA C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C CPD-8250 C/C=C\C=O CPD-7600 COc1cc2c(c(c1O)OC)C(=O)c3c(cccc3O)C2=O CPD-9617 CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C/CCCCC CPD-8073 c1ccc(cc1)/C=C/C(=O)NCCc2ccc(cc2)O CPD-8941 C[C@@H](C(=O)C)O CPD-255 c1cc(ccc1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](OC2O[C@@H]3[C@H]([C@@H]([C@H](OC3Oc4cc5c(cc4O)/[N+](=C/C=C/6\C[C@H]([NH2+]C(=C6)C(=O)[O-])C(=O)[O-])/[C@@H](C5)C(=O)[O-])CO)O)O)C(=O)[O-])O)O)O CPD-8675 c1ccc(c(c1)c2ccccc2S(=O)[O-])O CPD-945 CC(=CCC/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 CPD-9911 C(CC(=O)[O-])C(=O)/C=C\C=C(/C(=O)[O-])\O CPD-157 C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O BETA-D-XYLOSE C(C1C(C(C(C(N1)O)O)O)O)O 5-AMINO-5-DEOXY-D-GALACTOPYRANOSIDE CCCCCc1cc(c(c(c1C(=O)[O-])O)C2C=C(CC[C@H]2C(=C)C)C)O CPD-7170 C[C@H]1c2ccc(c(c2CN3[C@H]1c4cc(c(cc4CC3)OC)OC)OC)OC CORYDALINE c1ccc(c(c1)C(=O)CC(C(=O)[O-])NC=O)NC=O DIFORMYLKYNURENINE CC(=O)/C=C/C=C(/C(=O)[O-])\O CPD-8782 C(=O)C(=O)C(=O)[O-] KETOPYRUVATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9895 CCSCC[C@@H](C(=O)[O-])[NH3+] ETHIONINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(ccc1O)C(=O)[O-])/C)/C)/C)/C)/C)C 3-HEXAPRENYL-4-HYDROXYBENZOATE c1nc(c2c(n1)[n@@](cn2)C3[C@@H](C([C@H](O3)CO)[NH3+])O)N CPD-10101 CC(=O)CS(=O)(=O)[O-] CPD-8874 c1nc(c2c(n1)n(cn2)[C@@]3([C@@H]([C@@H]([C@H](O3)CO)O)O)CO)N CPD0-1033 C(=O)C1C(C([C@H](C(O1)O)O)O)O CPD-155 C1C=C[C@H](C(C1=O)[NH3+])C(=O)[O-] CPD-9521 c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/c6ccc(c(c6)O)O)O)O)O)O)O CPD-7150 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC CPD-7823 c1cc(ccc1[N+](=O)[O-])Cl CPD-9154 c1ccc2c(c1)c(c[nH]2)CC#N INDOLEYL-CPD CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])[O-] CPD-8264 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)C CPD-9732 c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O CPD-7391 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]2C(=O)[O-])OC)O)O)CO)O)O HYALURONATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9610 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)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)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)COP(=O)([O-])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O)O CPD-8559 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N CPD-7230 Cc1ccc2c(c1)[nH]cc2CC(C(=O)[O-])[NH3+] DL-6-METHYLTRYPTOPHAN C1CCC(CC1)C(=O)[O-] CPD-575 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[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)O)O)[O-])O ISOVITEXIN-2-O-B-D-GLUCOSIDE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4cccc(c4)O)O 3-HYDROXYPHENYLACETYL-COA C/C(=C\COP(=O)(OP(=O)([O-])[O-])[O-])/CC[C@@H]1[C@]2([C@@H]([C@@](CCC2)(C)C)CCC1=C)C CPD-8840 C[C@H]1C2CCC3=C([C@]2(CCC1=O)C)CC[C@]4(C3CCC4C(C)CCCC(C)C)C CPD-8614 C(C(CO)C(CO)O)O CPD-362 CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC CPD-7795 C(=C(\C=O)/Cl)\C=C(/C(=O)[O-])\N CPD-9161 C1=NC(C(=N1)N)C(=O)N CPD-3762 CCC(C)CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC CPD-9841 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC CPD-7796 c1cc(ccc1/C=C/C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-457 C(C(C([C@H](C(=O)[O-])O)O)O)O D-XYLONATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)OC)/C)/C)/C)/C)/C)/C)C CPD-9857 C(C(=O)N)I IODOACETAMIDE *C(=O)NC(CO[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[C@@]3(C[C@@H]([C@H](C(O3)[C@@H](C(CO)O)O)NC(=O)C)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)C(=O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O CPD-7182 C#CC(=O)[O-] CPD-661 CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)C CPD-4203 CC(=O)C(=N)CCCCCC(=O)O CPD0-1483 CC[C@@H](C(=O)[O-])O CPD-3564 c1cc(ccc1C/C=N\O)O CPD-1041 CC(=O)CO ACETOL CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC CPD-7760 Cc1c(cc(cc1[N+](=O)[O-])[N+](=[O-])O)N=O CPD-10451 *SCC(C)C(=O)[O-] CPD-42 CCC1C(=O)C(=C(O1)C)[O-] CPD-10201 c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4 CPD-8926 CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8391 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(=C2=O)C=C3=O)/C)C)O)C)O)C)O)C)O)C)O CPD-10239 CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD0-1048 c1ccc(c(c1)/C=C/C(=O)[O-])OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-459 CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)[NH2+]C)O)[NH3+])[NH3+])[NH3+])[NH2+]C GENTAMICIN Cc1ccc2c(c1O)C(=O)c3cc(c(cc3C2=O)O)O CPD-9625 c1ccc(cc1)NO HYDROXYAMINOBENZENE c1cc(ccc1c2c(cc3c([o+]2)cc(cc3OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O CPD-7277 CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC CPD-7764 C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-] CPD-10188 CCCCCCCCCCCCCCCCCCC/C=C/C/C=C/CCCCC CPD-7915 C([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] TETRANITROMETHANE c1ccc2c(c1)C(=O)c3cccc(c3C2=O)O CPD-3301 CC(=O)c1ccc(cc1)O CPD-10598 COc1cc2c(cc1OC)OC[C@@H]3[C@H]2C(=O)c4ccc(cc4O3)O CPD-9533 c1cc(ccc1C(=O)[O-])[Hg] CPD-7388 c1cc(oc1)CNc2c3c(ncn2)ncn3[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4610 C([C@H]([C@@H](C(=O)[O-])[NH3+])O)OP(=O)([O-])[O-] 4-PHOSPHONOOXY-THREONINE CCC(=O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O K-BUTYRYL-COA CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C TESTOSTERONE CO[C@H]1[C@@H]([C@H]([C@H](C(=O)[C@@H]1O)O)O)O PENTAHYDROXYCYCLOHEXANONE CC(=O)C1=C(Cc2cccc(c2C1=O)O)CC(=O)CC(=O)[O-] CPD1A0-6104 c1ccc(cc1)OC2C([C@H]([C@H]([C@H](O2)CO)O)O)O CPD-9117 C[C@H]1[C@@]([C@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)OP(=O)([O-])[O-])NC(=[NH2+])N)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)[NH2+]C)(CO)OP(=O)([O-])[O-] DIHYDROSTREPTOMYCIN-3-ALPHA-6-BISPHOSPH C([C@@H]([C@H](CO)O)O)O CPD-6995 C/C(=C\C(=O)[O-])/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-9408 CC(=O)C[N+](C)(C)C CPD-5621 C(CCC(=O)[O-])CC(C(=O)[O-])[NH3+] CPD-9793 CC1(CO1)CCCOP(=O)([O-])OP(=O)([O-])[O-] CPD0-1024 C[NH2+]CCCC(=O)[O-] CPD-124 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4O)O CPD-537 CCCCC/C=C\C/C=C\CCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8303 c1c2c(c(=O)[nH]c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O CPD0-1493 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2c(=O)c3=C(CC(C=c3oc2c4ccc(c(c4)O)O)OC5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O)O)[O-])O)O)O CPDQT-26 CN1Cc2c(c(cc3c2OCO3)OC)-c4c1c5cc6c(cc5cc4)OCO6 DIHYDROCHELIRUBINE CCCCCCCCCCCCCCCCCCCCCCCCCCCCO CPD-7872 C(C(=O)/C=C/C(=O)[O-])C(=O)C(=O)[O-] CPD-277 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O CPD-8948 C([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O CPD-8902 Cc1c(cc(cc1[N+](=O)[O-])NOC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-] CPD-10460 COc1cc(ccc1O)CC[NH3+] CPD-7650 CCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCC(=O)C CPD-8495 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2cc(c3c(c2)oc(c(c3=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)c5ccc(cc5)O)O)O)O)O CPD1F-420 C(CBr)[NH3+] 2-BROMOETHYLAMINE CC1=CC[C@@H]2[C@H](C1)C2(C)C CPD-8756 C([C@H]([C@@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)O)O CPD0-1116 C1(=NC(=O)NC1(C(=O)[O-])O)NC(=O)N CPD-5821 CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8441 C[C@@H]1C(C(=O)[C@]2(C([C@]1(C)C[C@H]([C@@]3(CO3)C(=O)C=O)O)CCC=C2C)C)O CPD-10115 CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCC/C=C\CCCCCCCC CPD-8299 CCCCCCC1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C CPD-5744 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(cc4)O)[O-])O)O)O)O CPD1F-461 C=CCSCC(C(=O)[O-])[NH3+] CPD-9298 c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N2C[C@H]3CNc4c(c(=O)nc([nH]4)N)[N+]3=C2 5-10-METHENYL-THF c1cc(c(cc1NC(=O)CC(=O)[O-])Cl)Cl N-34-DICHLOROPHENYLMALONATE CCN=C=NCCC[NH+](C)C CPD0-1296 CC1C2=[N+]3C(CC4=[N+]5[Co+2]36[N+]7=C1[C@]([C@H]([C@@H]7[C@@]8([N+]6=C([C@H]([C@]8(C)CC(=O)[O-])CCC(=O)[O-])C(=C5[C@@]([C@@H]4CCC(=O)[O-])(C)CC(=O)[O-])C)C)CC(=O)[O-])(C)CCC(=O)[O-])(C(=C2CCC(=O)[O-])C)C CPD-9045 C(C(=O)CC(=O)[O-])C(=O)[O-] CPD-9778 C(C(C=O)O)C(=O)[O-] CPD-5682 c1ccc2c(c1)c(c[nH]2)C3NC(CS3)C(=O)[O-] INDOLE-TETRAHYDRO-THIAZOLE CC(=O)COP(=O)([O-])[O-] HYDROXYACETONE-PHOSPHATE c1cc(c(c(c1Cl)O)O)Cl 36-DICHLOROCATECHOL CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8162 C=C[Hg]Br CPD-8869 c1c(cc(c(=O)cc1O)[O-])C(=O)[O-] STIPIT-CPD CCCCCCCCC/C=C/CC/C=C/C(C(CO)[NH3+])O CPD-8427 c1cc(ccc1C(=O)CC(=O)[O-])O CPD-10599 c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)C4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)[O-])O)O VITEXIN C(C(C(C(C(COP(=O)([O-])[O-])O)O)O)[NH3+])O CPD-9051 COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(c(c3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OC)OCO4 CPD-8962 c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](OC3O[C@@H]4[C@H]([C@@H]([C@H](OC4Oc5c(=O)c6c(cc(cc6oc5c7ccc(cc7)O)O)O)CO)O)O)CO)O)O)O)O)O)O CPD-8069 C(=C/C(=O)[O-])\C(=C\C=O)\O 4-HYDROXYMUCONIC-SEMIALDEHYDE c1ccc(c(c1)/C=C\C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-7417 C[S+](C)CCC=O CPD-10472 C(C(CO)O)[NH3+] 3-AMINO-12-PROPANEDIOL Cc1cc(c2c3c1c4c(cc(c5c4c6c3c7c(c2=O)c(cc(c7c8c6c(c5=O)c(cc8[O-])O)[O-])O)O)C)O CPD-9562 CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8422 C(C/C(=N\OS(=O)(=O)[O-])/SC1C(C(C(C(O1)O)O)O)CO)CO 3-HYDROXYPROPYL-GLUCOSINOLATE OP(=O)(O)O.[F-].[Na+] CPD-9010 C(=O)NC(C(=O)N)O CPD-8528 C[C@H](C[NH3+])C(=O)[O-] CPD-471 c1ccc(cc1)C2C=CC[C@H]([C@H]2O)O CPD-8822 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O CPD-8345 CC12CCC3C(C1CC(=O)C2)CCC4C3(CCC(C4)O)C 16-OXOSTEROID COc1cc(ccc1O)C[C@@H](CO)[C@@H](Cc2ccc(c(c2)OC)O)CO CPD-8909 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N4CCOCC4)[O-])O)O)N AMP-MOR CC(Cc1ccccc1)N(C)Cc2ccccc2 CPD-10530 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O)O)O)O CPD-3801 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[NH3+])O)O)O)O CPD0-1299 C(CC(=O)[O-])CO 4-HYDROXY-BUTYRATE c1ccc(cc1)Nc2ccccc2 CPD-9937 CCCCCCCCCCCCO CPD-7867 Cc1cc2c(cc1C)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](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.O.[Co+2] CPD0-1256 CNc1c2c(ncn1)n(cn2)C3[C@@H]([C@@H](C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4C(C([C@@H](O4)n5c[n+](c6c5nc([nH]c6=O)N)C)O)O)O)OC CPD-8629 CC(=O)CP(=O)(O)[O-] CPD-8873 c1cc(ccc1/C=C/C(=O)NCCCC[NH+]=C(N)N)O N-4-GUANIDINOBUTYL-4-HYDROXYCINNAMAMID C(C(=O)/C=C\C(=O)[O-])C(=O)C(=O)[O-] CPD-1070 c1cc(ccc1c2coc3cc(cc(c3c2=O)O)[O-])O CPD-3141 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)O)O)O 1-O6-O-DIGALLOYL-BETA-D-GLUCOSE c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@H]([C@H]([C@H](CO)O)O)O)O)O CPD-1111 C[C@@H]1CC[C@@H]2[C@]13CC(C[C@H]3C=C2C)(C)C CPD-1763 c1ccc(c(c1)C(=O)[O-])F 2-FLUOROBENZOATE C[n+]1cn(c2c1c(=O)[nH]c(n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O 7-METHYLGUANOSINE-5-PHOSPHATE C(/C=C/Cl)Cl CPD-9112 CCCCCC CPD-9288 CCNc1nc(nc(n1)Cl)NC(C)C ATRAZINE CC1=CC=CC(C1(C(=O)[O-])O)O 12-DIHYDROXY-6-METHYLCYCLOHEXA-35-DIEN c1ccc2c(c1)cccc2S(=O)(=O)[O-] CPD-10424 C1CCS(=O)(=O)C1 CPD-3747 c1cc(c(cc1/C=C/C(=O)c2c(cc(cc2O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O CPD-8633 CC1=CC(CC(C1)(C)C)O CPD-10089 CCCC(=O)C(=O)[O-] CPD-3618 CC(=CCC/C(=C/CCC(=C)C=C)/C)C CPD-8239 C(C[C@@H](C(=O)O)N)[C@H](C(=O)O)N MESO-ALPHADELTA-DIAMINOPIMELATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5ncnc6N)CO)O)O)N CPD0-1137 c1cc(ccc1CC=O)O HYDRPHENYLAC-CPD CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1[C@H]([C@H](C(O1)[n@@]2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-7991 *n1cnc2c1ncnc2NCC=C(C)C N-6-ISOPENTYL-ADENOSINE-37-TRNA CC1CC(=O)c2c(c(c(c(c2C1=O)C(C)C)O)[O-])C=O CPD-9749 [O-][As]=O.[Na+] CPD0-1496 C(CCC/C=C/CCCCCCCC(=O)[O-])CCCC=O 18-OXOOLEATE c1cc(ccc1/C(=C/C(=O)c2ccc(cc2O)O)/[O-])O LICODIONE C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)C(=C)C CPD-7554 c1c2c(cc(c1O)O)/[N+](=C/C=C/3\C[C@H](NC(=C3)C(=O)[O-])C(=O)[O-])/[C@@H](C2)C(=O)[O-] CPD-8653 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC STAUROSPORINE C(=C(\C(=O)[O-])/O)\C=C(/C(=O)[O-])\Cl CPD-9162 c1cc(ccc1C(C(=O)[O-])[NH3+])O P-HYDROXY-D-PHENYLGLYCINE CC(=C)[C@H](CCC(=O)C)CC(=O)[O-] CPD-10053 C(CP(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CPD-10011 CC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)[O-] N-ACETYL-D-TRYPTOPHAN CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC CPD-7754 C[C@H](C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@@H](CCC[C@@H](C(=O)[O-])[NH3+])NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](C)NC(=O)C(C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)O C2 CC1C(C(C(C(O1)OC2C(OC(C(=O)C2O)C)c3c(cc4c(c3O)c(=O)cc(o4)c5ccc(c(c5)O)O)[O-])O)O)O CPD-9588 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N=CNC(=O)C2 8-OXOCOFORMYCIN C=Cc1ccc(cc1)O CPD-1075 C1=CC(=O)C(=O)C=C1/C=C\C(=O)[O-] CPD-8094 CO[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)O CPD-8056 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)O CPD-344 C[C@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)C=O ENT-KAUR-16-EN-19-AL C(C(CO)(CO)[NH3+])O TRIS CC1=CC(C=CC1O)O CPD0-1157 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C=O)O)O CPD-328 c1c(cc(c(c1O)O)O[C@H]2C([C@H](C([C@H](O2)CO)O)O)O)c3c(cc4c(cc(cc4[o+]3)O)[O-])OC5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=[O-])O)O)O)O CPD-7870 C(C[C@@H](C(=O)[O-])[NH3+])C[NH2+]CCC(=O)[O-] CPD-307 c1ccc(c(c1)C(=O)[O-])Cl CPD-256 Cn1c[n+](c2c1c(=O)nc([nH]2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O CPD0-1041 c1cc(cc(c1)Cl)NN=C(C#N)C#N CPD-7970 CC1=CC(CC(C1/C=C/C(=O)C)(C)C)O CPD-7199 CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C CORTISONE C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C 5-BETA-ANDROSTANE-317-DIONE CC1=C(C(C[C@H](C1=O)O)(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(=O)C(CC2(C)C)O)C)/C)/C CPD-7958 CSCCC(=O)[O-] CPD-7672 Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO CPD-5442 C(=[NH+]O)(N)N CPD-10150 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)[O-])SC1)C(=O)[O-] CPD-7270 C1C[NH+](C1C(=O)[O-])CC[C@@H](C(=O)[O-])[NH2+]CC[C@@H](C(=O)[O-])[NH3+] CPD-463 CC(=CCNc1c-2ncnc2n(cn1)CCC(C(=O)[O-])[NH3+])C DISCADENINE c1c2c(cc(c1OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)/[N+](=C/C=C/5\C[C@H]([NH2+]C(=C5)C(=O)[O-])C(=O)[O-])/[C@@H](C2)C(=O)[O-] CPD-8658 CN1Cc2c(c(cc3c2OCO3)OC)-c4c1c5cc6c(cc5c(c4)O)OCO6 12-HYDROXYDIHYDROCHELIRUBINE [O-]S(=O)(=O)[O-].[Cu+2] CUSO4 CNC(=[NH2+])N CPD-593 O[As]1O[As](O[As](O1)[O-])O CPD0-1119 CCCCC[C@@H](c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2=O)[O-])O CPD-10163 CC/C=C\C/C=C\C=C\1/C(O1)CCCCCCCC(=O)[O-] CPD-8682 CC(=O)CC(=O)C(=O)[O-] CPD-612 CCCC(=O)O[C@H]1[C@]2([C@@]([C@H]2[C@H]3[C@]([C@@H]1C)([C@H]4[C@@](C(=O)C(=C4)C)(CC(=C3)C)O)O)(C)C)OC(=O)CCC PHORBOL-1213-DIBUTANOATE 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)O)C)O4)C CPD-8897 CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O CPD-5202 c1nc(c2c(n1)[n@@](cn2)C3[C@@H](C([C@H](O3)COP(=O)([O-])[O-])[NH3+])O)N CPD-10079 C[C@@H]1CC[C@H]([C@@H]2[C@H]1CCC(=C2)C)[C@@H](C)C(=O)[O-] CPD-7559 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)C CPD-9455 CC(C)(C)CC(C)(C)c1ccc(cc1)OCCO CPD-7988 c1c(cc(c2c1C(=O)c3cc(c(c(c3C2=O)O)C(CCO)CO)O)O)[O-] CPD-10174 Cc1cc(cc(c1O)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)/CC/C=C(\C)/CCC=C(C)C)O 2-METHYL-6-SOLANYL-14-BENZOQUINONE CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-] CTAB CC(=O)N[C@@H]1[C@H](CC(O[C@@H]1[C@@H]([C@@H](COP(=O)([O-])[O-])O)O)(C(=O)[O-])O)O N-ACETYL-NEURAMINATE-9P c1c(nc(nc1N)N)N CPD-9357 CCCCCc1cc2c(c(c1C(=O)[O-])O)C=CC(O2)(C)CCC=C(C)C CPD-7171 CC(C(=O)O)NC=N CPD-9013 CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C CPD-8621 Cc1cc(c2c(c1O)C(=O)c3c(cc(c(c3OC)OC)OC)C2=O)O CPD-9632 CCI IODOETHANE COC(=O)CC(=O)C(=O)[O-] CPD-521 C/C/1=C\CC(/C=C/C/C(=C/CC1)/C)(C)C CPD-8233 C/C=C(\C)/[Hg]Cl CPD-8870 CCCCCCCCCCCCCCO CPD-7875 *C(=O)NC(CS(=O)O)C(=O)N* CPD-7250 C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CCC5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C CPD-10556 C(=C\C(=C(/C(=O)[O-])\O)\C(=O)[O-])\C=O CPD-247 C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)OP(=O)([O-])[O-])NC(=[NH2+])N)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)[NH2+]C)(C=O)O CPD-529 CC(C)c1c2c(c(c(c1O)[O-])C=O)C(=O)C3CC(=CCC3(C2=O)C)CCC=C(C)C CPD-9742 c1ccc2c(c1)C(C(=O)N2)O CPD-6362 C(C(Cl)(Cl)Cl)(O)O CPD0-1476 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)O)O)O LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE C(CCNC(=[NH2+])N)CC(C(=O)[O-])[NH3+] HOMOARGININE C[C@@H]1C(=O)[C@@H]([C@H]([C@@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C)O UDP-2-ACETAMIDO-4-DEHYDRO-26-DIDEOXYGLU CC1=CC[C@H]2[C@@H](C1)C2(C)C CPD-8765 C[NH2+][C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@H]([C@@H]([C@@H](C(O4)[C@@H](CO)[NH3+])O)O)O)O)[NH3+] HYGROMYCIN-B CC(C)NNC(=O)c1ccncc1 IPRONIAZID CC(=CCC/C(=C\C=O)/C)C CPD-9762 CC(CCOP(=O)([O-])OP(=O)([O-])[O-])(CBr)O CPD0-1025 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8319 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O CPD1G-1354 COc1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)[O-])O CPD-1095 *C(=O)N[C@@H](CO[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[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O CPD-1101 CC1(C2CCC(O1)(CC2O)C)C CPD-791 C(C[NH3+])C(O)(P(=O)(O)[O-])P(=O)(O)[O-] PAMIDRONATE CC12CCC(CC1CCC3[C@@H]2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O CPD-10537 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C(CC4CCCCC4)O)O CPD-9918 Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)CCC(=O)[O-] BILIRUBIN-GLUCURONOSIDE c1ccc(cc1)Cc2c3nc(c(n3cc(n2)c4ccc(cc4)O)OS(=O)(=O)[O-])Cc5ccccc5 LUCIFERYL-SULFATE C[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O 6-DEOXY-D-GLUCOSE CC1C(=O)OC(C(=O)O1)C CPD-9549 COc1cc(c(cc1OC)OC)C2COc3cc(c(cc3C2=O)OC)OC4C(C(C(C(O4)COC5C(C(CO5)(O)OC)O)O)O)O CPD-9695 CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[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)[NH2+]C)O)[NH3+])[NH3+])C[NH3+] N2-ACETYLGENTAMICIN-C1A CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC 1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O CPD-8446 CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O)O CPD-8064 C(C(C(C(=O)COP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-] D-RIBULOSE-15-P2 CCc\1c(c2/cc\3/c(c(c(n3)/cc\4/c(c(/c(/[nH]4)c\5/c6c(=C(C5C(=O)OC)[O-])c(c(n6)/cc1\n2)C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C CPD-8177 C(CC(=O)[O-])CNC(=O)CC[C@@H](C(=O)[O-])[NH3+] CPD-9000 C([C@H]([C@H]([C@](CO)(C(=O)[O-])O)O)O)O 2-CARBOXY-D-ARABINITOL C[C@H](CCCC(C)(C)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 CPD-7286 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8704 Cc1c(c2c3c(cc(c2O)NC(=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@@]4(C(=O)c3c1O4)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)[O-] CPD-10236 Cc1cccc(c1C(=O)[O-])O CPD-637 CC[C@H](C)C(=O)Nc1c(nc(cn1)c2c[nH]c3c2cccc3)CCCNC(=[NH2+])N OXIDIZED-CYPRIDINA-LUCIFERIN c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N CPD-3709 C[C@]1([C@H]2[C@@](C3C(=CC2)C[C@@](CC3)(C=C)C)(CCC1)C)C CPD-4754 CC(=CCC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C CPD-491 CN1CCc2cc3c(cc2C(=O)Cc4ccc5c(c4C1)OCO5)OCO3 PROTOPINE C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C)O)C)C)\C(C)C CPD-4124 c1cc(c(cc1C(=O)NCCC[NH2+]CCCCNC(=O)CC(CC(=O)NCCCC[NH2+]CCCNC(=O)c2ccc(c(c2)O)O)(C(=O)[O-])O)O)O CPD-9985 c1ccc(cc1)C/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O GLUCOTROPEOLIN c1ccc(cc1)[N+](=O)[O-] BENZENE-NO2 CC(=CCNc1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C CPD-4602 N(P(=O)(NP(=O)(O)O)O)P(=O)(O)O CPD0-1438 C(CCCCCCCC(=O)[O-])CCCCCCC(=O)[O-] CPD-10511 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8271 CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(/C1)\C)CC=C)O)C)/C(=C/C4CCC(C(C4)O)O)/C)O)C)OC)OC CPD-10014 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9898 c1cc(ccc1C2=Oc3cc(cc(c3C=C2O)O)O)O PELARGONIDIN-CMPD CC(=C1CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)C(O)O)C)C CPD-8710 C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C(=O)OC6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)C)O)O)C)C)C)(CC1)C(=O)[O-])C CPD-9486 Cc1cc(c(c(c1)Cl)O)O CPD-10650 c1nc(nn1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)C(=O)N CPD0-1492 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)C)OC6[C@@H](C(C([C@H](O6)C(=O)[O-])O)OC7[C@@H]([C@H]([C@H](C(O7)CO)O)O)O)O CPD-9461 CC(=O)N(c1ccc-2c(c1)Cc3c2cccc3)O N-HYDROXY-2-ACETAMIDOFLUORENE C(CC(=O)NC(CS)C(=O)NCC(=O)N)C(C(=O)[O-])[NH3+] CPD-6401 c1ccc(cc1)CC(=S)N[O-] PHENYLACETOTHIOHYDROXIMATE c1cc(nc(c1)C(=O)[S-])C(=O)[S-] CPD-8207 C(CC(=O)[O-])C(C(CC(=O)C(=O)[O-])C(=O)[O-])C(=O)[O-] CPD-7640 c1c2c([nH]c1C(=O)[O-])C3=C(C(=O)C2=O)N=C(CC3C(=O)[O-])C(=O)[O-] CPD-7245 [Co+3] CO+3 CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8460 C(CCC(=O)[O-])CC(=O)C(=O)[O-] CPD-291 C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3 L-HYOSCYAMINE C1[C@@H](NC(=[NH2+])N[C@H]1O)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCC[NH3+])[NH3+] VIOMYCIN CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C4CCC5C4(C(CC6C5CCC7=CC(=O)CCC67C)O)C 3-OXO-DELTA4-DEOXYCHOLYL-COA CC(=C)[C@H]1Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1 CPD-5741 C[C@H]1C(=O)C[C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O CPD-9756 c1cc(ccc1CO)NN 4-HYDROXYMETHYLPHENYLHYDRAZINE C1=C[C@@]([C@H](C(=C1)Cl)O)(C(=O)[O-])O CPD-10618 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCO)O 3-HYDROXY-PROPIONYL-COA CCCCCCCCC1C(O1)CCCCCCCC(=O)[O-] CPD-10514 C(C[C@H](CC(=O)[O-])[NH3+])C[NH3+] CPD0-1032 C/C(=C\C=C(\C(=O)[O-])/O)/C=O CPD-8781 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8267 CC(=O)CCC(CO)c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2=O)[O-] CPD-10169 c1cc2c(cc1O)sc(n2)C3=N[C@H](CS3)C(=O)[O-] PHOTINUS-LUCIFERIN c1cc(c2c(c1)oc3cc4c(c(c3c2=O)O)C5C=COC5O4)O CPD-4590 CC(=CCc1c(cc(c(c1O)C(=O)CCc2ccc(cc2)O)OC)[O-])C CPD-7131 CC(Cc1ccc(c(c1)O)O)(C(=O)[O-])[NH3+] ALPHA-METHYLDOPA C[N+](C)(C)NCCC(=O)[O-] CPD-10661 CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10278 c1cc(c(cc1O)N)O AMINOHYDROQUINONE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)c4ccccc4)O CPD-514 CC(Cl)(Cl)Cl 111-TRICHLOROETHANE C([C@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O CPD4FS-6 C/C(=C\C=C\C=C(/C)\C=O)/C=C/C=C(\C)/C=C=C1[C@](CC(CC1(C)C)O)(C)O CPD1F-4 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)[O-])O)O)O CPD-3611 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])OP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O CPD-191 [C@@H]1([C@@H]([C@H](O[C@@H]([C@H]1O)O)C(=O)[O-])O)O CPD-364 C(C(=O)[O-])C(C(C(=O)[O-])F)(C(=O)[O-])O FLUORO-CITRATE CCC/C=C/C=O TRANS-2-HEXENAL CCCCCCCCCC(=O)[O-] CPD-3617 c1cc(cc(c1)Cl)CO CPD-10659 CCc1ccccc1 ETHYLBENZENE CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8383 Cc1ccc(c(c1)Cl)O CPD-10649 CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC CPD-7787 c1c(occ(c1=O)[O-])CO KOJIC-ACID COc1cc(cc(c1O)O)/C=C/C(=O)[O-] 5-HYDROXY-FERULIC-ACID c1cc2c(cc1O)occ(c2=O)c3ccc(cc3O)O 2-HYDROXYDAIDZEIN CC1=C[C@@H]2[C@@H](CC1)C(=CC[C@H]2C(C)C)C CPD-8788 CC(C)c1ccc(c(c1O)O)C(=O)[O-] CPD-1006 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(=O)C(CC2(C)C)O)C)/C)/C CPD-7860 c12c([nH]c(=O)[nH]c1=O)nc([nH]2)C(=O)[O-] XANTHINE-8-CARBOXYLATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH+]=C(N)N)O)O)N CPD0-1401 CSCCC[NH3+] CPD-631 C(CS(=O)(=O)[O-])S(=O)(=O)[O-] CPD-10431 C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(C)C CPD-5761 C/C(=C/C(=O)[O-])/C=C/[C@]1([C@@]2(C[C@H](CC1(CO2)C)O)C)O CPD-7726 [Se-2] SE-2 CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C/CCCCCCCCC)O)O CPD-9802 C([C@H]([C@H]([C@H](C(=O)[O-])O)O)O)O CPD-373 c1cnccc1SSc2ccncc2 CPD-9046 C[NH+]1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3 ATROPINE Cc1cc2c([nH]c1=O)C=CC(C2O)O CPD-981 CNc1ccccc1C(=O)[O-] CPD-402 Cc1cc(c(c(c1)O)C(=O)c2c(cc(cc2OC)O)C(=O)OC)O SULOCHRIN C(C(C(C(COP(=O)([O-])[O-])O)O)[NH3+])C(=O)C(=O)[O-] CPD-10228 [Co+] CO+1 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O CPD-8952 Cc1c(c(c(o1)C)OC)O CPD-10214 C[C@H]1C2C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)C)C)C)(C)C)O)C CPD-6950 C[C@@H]1[C@@H](C[C@H](C2=CC[C@H](C[C@]12C)C(=C)C)O)O CPD-4661 c1c(nc2c(n1)c(nc(n2)N)O)O 2-AMINO-47-DIHYDROXYPTERIDINE c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=Cc4c(cc(cc4OC5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)O)O)O)O)O)O=C3c6ccc(c(c6)O)O)O)O)O)O CPD-7708 c1cc(c(c(c1)Cl)O)C(=O)[O-] CPD-10666 CCCCCCCCCCCCCCCC(C(CO)[NH3+])O DIHYDRO-SPHINGOSINE CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)N L-LEUCYL-L-LEUCINE C([C@@H](C(=O)[O-])[NH3+])NC(=O)CP(=O)(O)[O-] CPD0-1454 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N CPD0-1415 CCCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)[O-] CPD-10282 C([C@@H]([C@H](C(=O)[O-])O)C(=O)[O-])C(=O)[O-] THREO-DS-ISO-CITRATE CC[C@@H](C)[C@H](C(=O)N1[C@H]2C[C@@H](CC[C@H]2C[C@H]1C(=O)NCCCCN=C(N)N)OS(=O)(=O)O)NC(=O)[C@@H](Cc3ccc(cc3)O)O CPD-10378 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])SC1)C(=O)[O-] CEPHALOSPORIN-C C[C@]1([C@@H]2[C@@]([C@H]3C(=C[C@@](CC3)(C=C)C)C(=O)C2)(CC[C@H]1O)C)C CPD-7093 c1c(cc(c(c1O)O)Cl)Cl 35-DICHLOROCATECHOL C[C@H](CCCC(C)C)[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 CPD-10548 CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC CPD-8518 CCCCC#N CPD-8862 C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C CPD0-1328 C[C@]12CC[C@H](C1(C)C)CC2O CPD-1908 C1Nc2c([nH]c(n2)O)C(=N1)O CPD-9016 c1cc(c(cc1O)O)[C@@H]2COc3cc(ccc3C2=O)O 2-HYDROXY-23-DIHYDRODAIDZEIN c1ccc(cc1)C(=O)CCCC(=O)C(=O)[O-] 26-DIOXO-6-PHENYLHEXANOATE CCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCC=O CPD-7914 c1ccc(c(c1)C(=O)[O-])NC=O N-FORMYLANTHRANILATE c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/c5ccc(c(c5)O)O)O)O)O)O)O)O CPD-7383 C(=S)(O)[O-] CPD-8042 CC1(C2CCC(C2)(C1O)C)C CPD-685 CC1=CC(=O)C[C@]([C@]1(/C=C/C(=C\C(=O)[O-])/C)O)(C)CO CPD-7234 c1cc(ccc1Cl)Cl 14-DICHLOROBENZENE CC12CCC3c4cc(c(cc4CCC3C1CCC2O)O)O 2-HYDROXY-ESTRADIOL C(C(=O)N)C(=O)[O-] CPD-9326 CC(=CCNc1c2c([nH]cn2)ncn1)C CPD-4209 C(=S)N THIOFORMAMIDE CC(=CCc1c(ccc2c1O[C@@H]3[C@H]2COc4c3ccc(c4)O)O)C CPD-4885 C[C@H](CCC(=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 CPD-1085 c1ccc2c(c1)nc3cccc(c3n2)O PYOCYANINE-RED CCCCCCC#CCC(=O)N(CCS)C(=O)C CPD0-1306 C[C@]1(/c/2c/c3c(c(c/4n3[Co+2]n\5/c(c\c6n/c(c4)/C(=C6CC(=O)[O-])CCC(=O)[O-])/C([C@](/c5c/c(n2)C1CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CC(=O)[O-] COBALT-SIROHYDROCHLORIN CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C4CCC5C4(C(CC6C5C=CC7=CC(=O)CCC67C)O)C 3-OXO-DELTA46-CHOLYL-COA CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC4CCC[NH+]4C)O CPD-9771 *C([C@@H]1CC[C@H](C(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)NC(=O)C)N)N* N3-ACETYLGENTAMICIN-C c1cc(ccc1C[C@H](C(=O)[O-])O)O CPD-2222 CC(C)(C)C(=O)C(n1nccn1)Oc2ccc(cc2)Cl CPD-4061 C[N@H]12CCc3cc4c(cc3[C@H]1Cc5ccc6c(c5C2)OCO6)OCO4 CPD-7846 Cc1c2nc(o1)[C@H](NC(=O)c3csc(n3)[C@H](NC(=O)c4csc(n4)[C@H](NC2=O)C(C)C)C)C CPD-10393 C1CC(=O)NC=C1C(=O)[O-] CPD-283 CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-7222 C[C@]12CCC3C(C1CC[C@@H]2C(=O)CO)CCC4=CC(=O)CC[C@]34C 11-DEOXYCORTICOSTERONE c1cc(ccc1CO)C(=O)[O-] 4-CARBOXYBENZYL-ALCOHOL Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] CPD-9138 Cc1ccc(cc1)S(=O)(=O)NC(Cc2ccccc2)C(=O)CCl CPD-6301 c1ccc(cc1)/[NH+]=C(/N)\[S-] CPD-7084 Cc1ccc(cn1)C(=O)[O-] CPD-9030 NP(=O)([O-])[O-] PHOSPHORAMIDATE CO[C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O CPD-8058 Cc1c(cc(c(c1NO)C2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-])[N+](=O)[O-] CPD-10449 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8408 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=C)C(=O)[O-])O CPD-1137 C[C@@H](C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-716 c1cc(=O)oc2c1c(c3ccoc3c2)O BERGAPTOL 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)/C=C/C=C(\C)/C=C\C=C(C)C)/C)/C CPD-7951 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)OS(=O)(=O)[O-])C GLYCOCHENODEOXYCHOLATE-7-SULFATE CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8415 COC(=O)CCCCCCCC=O CPD-9840 C/C/1=C\CC/C(=C/C[C@@H](CC1)C(=C)C=O)/C CPD-9412 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)O)O ESTRIOL CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC CPD-7775 CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)Cc3cccs3 CPD-9233 c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)C4C(C(C(C(O4)CO)O)O)O)[O-])O)O)O ISOORIENTIN C=CC(CCC(=O)[O-])[NH3+] VIGABATRIN CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-2181 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(CC(=O)[O-])(C(=O)[O-])O)O 3S-CITRYL-COA C[C@H](CC[C@@H](CC(=O)[O-])C(=C)C)O CPD-10065 C1[C@H]([C@@H]([C@H]([C@H](O1)OC[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]3O)O)O)CO)O)O)O)O)O)O ALPHA-D-XYLOSYL-1-6-BETA-D-GLUCOS c1cc(oc1)C(=O)[O-] 2-FUROATE CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\C(=C\CO)\C)/C CPD-882 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCC(=O)[O-])O CIS-34-DEHYDROADIPYL-COA c1cc(ccc1[C@@H](C#N)O)O CPD-648 c1ccc2c(c1)c(c[nH]2)CCC(=O)[O-] INDOLE-PROPIONATE C[NH2+]CCC[NH2+]C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O CPD0-1403 C(=C\C(=O)[O-])\C=C(/C(=O)[O-])\Cl 2-CL-MUCONATE C/C(=C\CNc1c2c(nc[nH]2)ncn1)/CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-4620 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)I CPD0-1508 CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8390 Cc1cccc(c1)C META-XYLENE Cc1cc\2c(c(c1)O)C(=O)c3c(cc(cc3O)O)/C2=C\4/c5cc(cc(c5C(=O)c6c4cc(cc6O)O)O)C CPD-9558 C1CC(C(CC1C(=O)[O-])O)O CPD-1944 C/C(=C\C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)/C(C)(C)/C=C/C(=O)[O-] CPD-869 CC(COP(=O)([O-])[O-])O 12-PROPANEDIOL-1-PHOSPHATE CC(=CCc1c(ccc(c1O)c2coc3cc(cc(c3c2=O)O)[O-])O)C CPD-6643 CC1=CCC2C3C1C2(CCCC3(C)C)C CPD-8762 CCCCCCCCCCCCC/C=C/C(=O)[O-] CPD-9768 C[C@H]\1CC/C=C(/CC[C@H](/C=C1)C(C)(C)O)\C CPD-10159 C[C@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])COC2=O CPD-6971 CCCCCCCCCCCCC(C(=O)[O-])O CPD-8471 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@@H]5CCO[C@@H]5O2 CPD-10177 CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8397 [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)NC(=[NH2+])N CPD-7168 c1c(c(cc(c1Cl)Cl)Cl)Cl CPD-10620 CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CCC[C@H](C)CC/C=C(\C)/CCC=C(C)C)C)[C@H](C6=O)C(=O)OC)C)C)C=C)C CPD-7004 C/C=C/1\[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5OC(=O)C)N3[C@@H]1O)c6ccccc6N4 12-DIHYDROVOMILENINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)[O-])/C)/C)/C)/C)/C)/C)C CPD-9903 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(CCCCC[NH3+])CC[NH3+])O)O)N CPD0-1375 CC1=C(C(CCC1)(C)C)/C=C/C(=O)C CPD-7204 CS(=O)(=O)C CPD-10437 c1ccc2c(c1)c(c[nH]2)C(O)SCC(C(=O)[O-])[NH3+] INDOLE-HYDROXYMETHYL-S-CYSTEINE-ADDUCT COc1cc(ccc1O)C[C@H](CO)[C@H](Cc2ccc(c(c2)OC)O)CO CPD-8910 CC(=O)C(=O)OC CPD-3573 COCC[NH3+] 2-METHOXYETHYLAMINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9896 c1cc(ccc1S(=O)(=O)[O-])[Hg] CPD0-1309 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)OO)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8168 C(CCCC(=O)[O-])CCC(=O)NCC(=O)[O-] CPD-8484 C1CCC(=O)CC1 CYCLOHEXANONE CCCCCCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] CPD-10672 Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC4C(OC(=O)C(N(C(=O)CN(C(=O)C5CCCN5C(=O)C(NC4=O)C(C)C)C)C)C(C)C)C)N)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C ACTINOMYCIN-D CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34CO 19-HYDROXYTESTOSTERONE CCCCC/C=C/C/C=C/CCCCCCCCCCCCCCCCCCCC=O CPD-7890 CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncn4c3ncc4)O)OP(=O)([O-])[O-])O Epsilon-Acetyl-CoA C(CC(C(F)F)(C(=O)[O-])[NH3+])C[NH3+] DIFLUOROMETHYLORNITHINE CC(=O)NCCCCC[NH3+] CPD-10194 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)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O[C@]6([C@H]([C@@H]([C@H](O6)CO)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O CPD-8066 CN(C)c1ccc(cc1)N CPD0-1148 Cn1ccc(c(c1=O)C(=O)[O-])OC 3-CARBOXY-4-METHOXY-N-METHYL-2-PYRIDONE Cc1ccc(cc1)[N+](=O)[O-] CPD-701 c1cc(c(cc1/C=C/C(=O)c2ccc(cc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c1cc2c(cc1O)cc(cc2O)O TRINAPHTAL-CPD CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8293 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O 12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC c1ccc2c(c1)c(c[nH]2)c3nc(cs3)C(=O)[O-] INDOLE-CARBOXYL-THIAZOLE C([C@H]([C@H]([C@H]([C@@H](C=O)O)O)O)O)O ALTROSE c1cc(ccc1/C=C\C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 4-O-BETA-D-GLUCOSYL-CIS-P-COUMARATE C/C=C/C(=O)[O-] CROTONATE CC(=C)[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)[C@@](COP(=O)(OP(=O)(OC[C@@H]1O[C@@H](C(C1OP(=O)([O-])[O-])O)n2c3ncnc(c3nc2)N)[O-])[O-])(C)C)CCC(=O)C CPD-10054 c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)[O-])[O-])O)O CPD-591 C=C[C@H]1CN2CCC1C[C@H]2C(=O)c3ccnc4c3cccc4 CPD-9833 c1(nc(nc(n1)N)N)N CPD-7398 CC(CCCC(C1[C@@]2(C(C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)CC1)C)C)C CPD-8610 CCCCCC/C=C\CCCCCCCCCC(=O)[O-] CPD-9247 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(c(c4)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O CPD-8011 C(CC1(C(=O)O[Mo]23(O1)S4[Fe]56S2[Fe]78N5912[Fe]4(S37)S[Fe]93S4[Fe]1(S6)S1[Fe]4S3[Fe]21S8)CC(=O)[O-])C(=O)[O-] CPD-41 Cc1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O CPD-399 [SH-] CPD-846 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]2O)OS(=O)(=O)[O-])O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3OS(=O)(=O)[O-])O[C@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)OS(=O)(=O)[O-])O)COS(=O)(=O)[O-])CO)O)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O)O)O CPD-9439 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)[NH3+])SC1)C(=O)[O-] CPD-7271 c1cc(ccc1C(=O)[N@@H]C(CCC(=O)[O-])C(=O)[O-])N CPD0-889 CC(C)[C@H]1CCC(=C)C=C1 CPD-8768 COc1cc(ccc1O)CCCO CPD-94 C[C@@H]([C@@H]([C@H]([C@H](COP(=O)([O-])[O-])O)O)O)O CPD0-1286 C(C(=O)CCl)OP(=O)([O-])[O-] CHLOROACETOL-PHOSPHATE c1c([nH]cn1)CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+] NALPHA-GAMMA-L-GLUTAMYLHISTAMINE C1CC([NH2+]CC1O)C(=O)[O-] 5-HYDROXY-PIPECOLATE CCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8453 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)CO)O)O)CO)O)O)O)O CPD-9550 C[C@@H]([C@H](c1ccccc1)O)[NH3+] CPD-9953 c1cc(ccc1CC(=O)[O-])Cl CPD-1786 Cc1c2c(ccn1)c3ccc(cc3[nH]2)OC CPD-9940 CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8416 CCCCCC(=O)/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C/CCCC(=O)[O-] 5Z13E-9-ALPHA-HYDROXY-1115-DIOXOPROS C(=O)(N)NC(=O)N CPD-809 C(C1C2=C(C3C(O1)Nc4c(c(=O)[nH]c(n4)N)N3)S[Mo](=O)(=O)S2)OP(=O)([O-])[O-] CPD-8123 CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCC CPD-7906 C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C CPD-712 CCCCC[NH3+] CPD-3681 c1ccc(cc1)[C@H](C(=O)[O-])O CPD-121 C([C@H](CO)O)C(=O)C(=O)[O-] CPD-1134 C1C(=CC(O1)(C(=O)[O-])O)COP(=O)([O-])[O-] CPD-7637 CC(c1cc2c(cc1)[C@@]3(C([C@@](CCC3)(C)C)CC2)C)C CPD-8721 CC1=C(C(=O)c2ccccc2C1=O)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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9722 C(CC(C[NH3+])OP(=O)([O-])[O-])[C@@H](C(=O)[O-])[NH3+] 5-PHOSPHONOOXY-L-LYSINE C[C@@H]1[C@](C2C(=CC1)[C@@](CCC2)(C)C)(CC/C(=C/COP(=O)(OP(=O)([O-])[O-])[O-])/C)C CPD-10116 CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C)O UROCORTISONE C1C[C@H](N=C(C1)C(=O)[O-])C(=O)[O-] DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE CC(C)C(=O)N ISOBUTYRAMIDE C1=C([C@H]([C@@H]([C@H](C1=O)O)O)O)CO CPD-9665 C(CC(=O)NC(CSS)C(=O)NCC(=O)N)C(C(=O)[O-])[NH3+] CPD-6403 C[C@@]1(CC[C@H]2C(=CCC3[C@@]2(CCC[C@@]3(C)C=O)C)C1)C=C CPD-8728 CCCCCCCCCCCCCCC(C(=O)[O-])O CPD-8475 C[C@H]1CCC[C@@]2([C@@]1(CCCC2)O)C CPD-10158 c1ccc(cc1)CCO CPD-7035 c1cn(c(=O)nc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c1cc(ccc1c2coc3cc(cc(c3c2=O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O CPD-3421 C[C@@H]([C@@H](c1ccccc1)O)NC --EPHEDRINE CC(C)[NH3+] ISOPROPYLAMINE C[C@]12CCC3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2C(C)([C@@H](CCC(C)(C)O)O)O)O CPD-276 c1cc2c(cc1F)c(c[nH]2)CC(C(=O)[O-])[NH3+] DL-5-FLUOROTRYPTOPHAN C[C@H]1[C@@H](Nc2c([nH]c(nc2=O)N)N1)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O THMPT C[C@@H](CO)[NH3+] CPD-9374 c1ccc2c(c1)CC(=O)C2C=O 1F2INDANONE C(C(C(C(C(C=O)N)O)O)O)O GALACTOSAMINE C[C@@]12CC[C@@]3([C@@H](C1=CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C GERMANICOL CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@H](c4ccccc4)[NH3+])O CPD-9207 C(CC(=O)[O-])C(C(=O)[O-])NC(=O)N N-CARBAMYL-L-GLUTAMATE CC(C)[C@@H](CC(=O)[O-])[NH3+] CPD-2041 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-8689 CC1C(C(C(C(O1)Oc2cc(c3c(c2)oc(c(c3=O)OC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O)c6ccc(c(c6)O)O)O)O)O)O CPD-5522 CC(C(C(=O)[O-])NC(=O)CCCCCCS)O CPD-359 C[C@]12[C@H](CC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)[O-])OC2=O)O CPD1F-139 C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O D-FUCOSE CCCS(=O)c1ccc2c(c1)[nH]c(n2)NC(=O)OC ALBENDAZOLE-S-OXIDE CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O CPD-3764 c1c(c(c(c(c1Cl)Cl)Cl)[O-])O CPD-10629 c1c(cc(c(c1Cl)[O-])Cl)O 26-DICHLORO-P-HYDROQUINONE COc1cc2c(cc1[C@@H]3COc4cc(cc(c4C3=O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OCO2 CPD-4566 c1cc(ccc1C2C3c4cc(cc5c4C(c6cc(cc7c6C(c8c3c(cc(c8)O)O2)C(O7)c9ccc(cc9)O)O)C(O5)c1ccc(cc1)O)O)O CPD-6961 C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)O SEDOHEPTULOSE CCC1=CC2CC3(C1[NH+](C2)CCc4c3[nH]c5c4cccc5)C(=O)OC CPD-7859 C([C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC=O)OC=O 1-PHOSPHATIDYL-MYO-INOSITOL c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4)[O-])O[C@H]([C@@H]5O)n6cnc7c6nc([nH]c7=O)N)[O-])O)N C-DI-GMP CC(=O)NC1C(CC(OC1C(C(COC(=O)C)O)O)(C(=O)[O-])O)O N-ACETYL-O-ACETYLNEURAMINATE c1cc([c-](c(=O)c1)N)C(=O)[O-] CPD-9520 c1cc(c(c(c1)O)C(=O)[O-])O CPD-8816 Cc1c(c2c3c(c1[O-])C(=O)/C(=C/C(C(C(C(C(C(C(C(C(/C=C/C=C(\C(=O)NC(=CC3=O)C2=O)/C)C)O)C)O)C)O)C)O)C)/C)O CPD-10242 CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C(CCCCCCCCCCCC)O)O)O CPD-8450 C[C@@H](C(=O)[O-])[NH2+]CCS(=O)(=O)[O-] CPD-305 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)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@H](O3)O[C@H]4[C@@H]([C@H]([C@H]([C@@H]([C@@H]4O)O)O)O)O)O)O)O)O)O)O)O)O)O)O CPD-8258 COc1cc(ccc1O)/C=C/C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C(=O)[O-])O)O)O)C(=O)[O-] CPD-413 C1[C@H]([C@@H]([C@H](O[C@@H]1C(O)O)CP(=O)(O)[O-])O)O CPD0-1372 CCC(C(C(=O)[O-])[NH3+])O CPD-8857 Cc1ccc2c(c1O)C(=O)c3c(cc(c(c3OC)O)OC)C2=O CPD-9629 C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CCC1=O)C)C)[C@H](C)CCCC(C)C 4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON CCCCCCCCCCC(C(=O)[O-])C(CCC(=O)[O-])(C(=O)[O-])O CPD-53 C[N+](C)(C)CCCl CPD-6968 C1CCNC(=O)[C@@H](C1)[NH3+] D-2-AMINO-HEXANO-6-LACTAM 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)OP(=O)([O-])[O-])CO)CO)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)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O GLUCOSYL3-MANNOSYL9-N-ACETYLGLUCOSA CCOC(=O)N URETHAN CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O CPD-7888 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)OC6[C@@H]([C@H]([C@@H](C(O6)CO)O)O)O)C)C)(C)C)OC7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O CPD-9462 CC(=CCc1c(c(c2c(c1[O-])C=CC(O2)(C)C)C(=O)/C=C/c3ccc(cc3)O)O)C CPD-7130 C1=C[C@](OC1=O)(CC(=O)[O-])C(=O)[O-] CPD-7737 c1cc(ccc1C[C@@H]2c3cc(c(cc3CC[NH2+]2)O)O)O R-NORCOCLAURINE Cc1cc(c2c(c1)O[C@]3(C2=O)C(=CC(=O)C=C3OC)C(=O)OC)O CPD-1907 Cc1ccc(c(c1)C(=O)[O-])O CPD-10664 C[C@@H](C1CCC2[C@@]1(CCC3C2CC[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 CPD-723 CC(CCC=C(C)C)C12CCC(=C)C1C2 CPD-8850 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)CO)c3c(cc4c(c3O)c(=O)cc(o4)c5ccc(c(c5)O)O)[O-])O)O)O CPD-9587 COc1cc(ccc1O)C(C(=O)[O-])O VANILLYL_MANDELATE C=CC/C=C\C/C=C\CCCCCCCc1cc(cc(c1)O)O CPD-10256 C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C CPD-10588 c1cc(ccc1C2C(Oc3cc(cc(c3C2=O)O)[O-])O)O CPD-3161 CCCc1ccc(cc1)c2ccc(cc2)CCCC(P(=O)(O[K])O[K])S(=O)(=O)O[K] CPD-9927 c1cc(c(cc1Oc2c(cc(cc2I)CC(=O)C(=O)[O-])I)I)O CPD-176 C1C[NH2+]C(C1O)C(=O)[O-] 3-HYDROXY-L-PROLINE CSCCC/C(=N/O)/S 3-METHYLTHIOPROPYLHYDROXAMIC-ACID Cc1c(sc(=S)n1Cc2cnc(nc2N)C)CCOP(=O)([O-])OP(=O)([O-])[O-] CPD0-1352 c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O CPD-3061 c1cc(c(cc1C(F)(F)F)Cl)Oc2ccc(c(c2)C(=O)[O-])N(=O)=O ACIFLUORFEN O[Sb](O)O ANTIMONITE CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C CPD-6947 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(c(c5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)C7c8c(cc(cc8O[C@@H]([C@@H]7O)c9ccc(c(c9)O)O)O)O)O)O)O)O)O)O)O CPD-7633 CC[C@H]1[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5OC(=O)C)N3[C@@H]1O)c6ccccc6N4 17-O-ACETYLNORAJMALINE Cc1cccc(c1)C(=O)[O-] CPD-8775 CC(=O)Nc1ccc-2c(c1)Cc3c2cccc3 2-ACETAMIDOFLUORENE C(C[C@@H](C(=O)[O-])[NH2+]CCC(=O)[O-])CNC(=[NH2+])N L-N2-2-CARBOXYETHYLARGININE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-7837 CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10284 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C(=O)c4ccccc4)O CPD-7242 CCCCC1C(=O)C(=C(O1)C)[O-] CPD-10209 CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O)O CPD-8051 CCC(C)C(C(=O)[O-])NO CPD-10271 C1C2CC3CC1CC(C2)C3=O CPD-743 CC(C)OP(=O)(OC(C)C)F DIISOPROPYL-FLUOROPHOSPHATE CC(C(=O)NCC(=O)NC(C)C(=O)NCC(=O)[O-])[NH3+] ALA-GLY-ALA-GLY C(C(Cl)Cl)Cl 112-TRICHLOROETHANE C([C@@H](C(=O)[O-])[NH3+])NC(=O)/C=C/C(=O)[O-] CPD0-1237 CC(=O)C(=O)c1ccccc1 CPD-9949 C[C@@H]1C2=C(Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)[O-] CPD1A0-6112 C[C@H](CCC(C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5C(C[C@H]7[C@@]6(CCC(C7)O)C)O)C CPD-10590 COc1c(cc2c(c1O)C(=O)c3c(cccc3O)C2=O)O CPD-9624 c1ccc(c(c1)C(=O)[O-])NC(=O)CC(=O)[O-] CPD-422 C[C@@]1([C@H]2[C@@H]([C@@]34CC(=C)[C@@](C3)(CC[C@H]4C2=CC(=O)[C@@H]1O)O)C(=O)[O-])C(=O)[O-] CPD-229 c1ccc(cc1)NN PHENYLHYDRAZINE c1ccc(cc1)C/C=N\O PHENYLACETALDOXIME Cc1ccc(cc1C)CO 34-DIMETHYLBENZYL-ALCOHOL CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)O)O)O)O CPD1G-771 CC(CCP(=O)(C)[O-])(C(=O)[O-])[NH3+] CPD0-1248 Cc1ccc(c(c1)Cl)OCC(=O)[O-] CPD-10648 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)CO)OS(=O)(=O)[O-])O UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATE COc1cc(cc(c1O)OC)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] SYRINGETIN C=CCc1ccc(cc1)O CPD-6483 CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8382 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9729 C[NH2+]CCC(=O)[O-] CPD-6141 COc1cc(ccc1O)/C=C/C=O CONIFERYL-ALDEHYDE C1CCC(=O)NCCCCCC(=O)NCC1 CPD-3921 C/C(=N\C)/[C@@H](c1ccccc1)O CPD-2221 CC(C)/C=N/O 2-METHYLPROPANAL-OXIME CC(=O)CCCC(=O)[O-] 5-OXOHEXANOATE Cn1c(=O)[nH]c(=O)[nH]c1=O CPD-9346 COc1cc(ccc1O)O[C@@H]2C3CO[C@@H](C3CO2)c4ccc5c(c4)OCO5 CPD-8927 CCCCCC/C=C/C=C/CCCCCCCCCC(=O)[O-] CPD-9842 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8392 CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7761 c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@H]3[C@@H](COC(=O)c4cc(c(c(c4-c5c(cc(c(c5O)O)O)C(=O)O3)O)O)O)O[C@H]([C@@H]2OC(=O)c6cc(c(c(c6)O)O)O)OC(=O)c7cc(c(c(c7)O)O)O CPD-8949 CC(C)C(=O)/C=C\C(=C(/C(=O)[O-])\O)\C(=O)[O-] CPD-1007 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(CO)COP(=O)([O-])[O-])O)O)O)O CPD-456 C[S+](CC[C@@H](C(=O)[O-])O)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O CPD0-1484 C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])CC(C(=O)[O-])[NH3+] N-SUCCINYLLL-2-6-DIAMINOPIMELATE C1C(=O)NC(=O)N1 HYDANTOIN CC1=CC[C@H](CC1)C(=C)C CPD-4886 Cc1c(c(c(c(c1O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C UBIQUINOL-30 [Rb+] RB+ CC(C)C(=O)OP(=O)([O-])[O-] ISOBUTANOATE-P C(CCN)C[C@@H](C(=O)N)NC=O CPD-8601 c1cc(ccc1O)Oc2c(cc(cc2I)CC(=O)[O-])I CPD0-1360 CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[NH3+])O PSYCHOSINE C(CCC(=O)[O-])CC=O 6-OXO-HEXANOATE CC1=CC(C(C=C1)(C(=O)[O-])O)O CIS-12-DIHYDROXY-ETCETERA-CARBOXYLATE CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C6=O)C(=O)OC)C)C)C=C)C CHLOROPHYLL-A CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7794 COc1cc(ccc1O)/C=C/C(=O)NCC(=O)[O-] N-FERULOYLGLYCINE c1cc(c(cc1Cl)Cl)OCC(=O)[O-] CPD-9009 C[C@]1(CCC[C@@]2(C1CC[C@]34C2CC[C@H](C3)C(=C)C4)C)CO ENT-KAUR-16-EN-19-OL CC(=CCc1c(cc2c(c1O)c(=O)c(co2)c3ccc(cc3)O)[O-])C CPD-6644 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O)O)O)O)O)O CPD-458 C1[C@@H](NC(=[NH2+])N[C@H]1O)[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CC[NH3+])O)[NH3+] TUBERACTINOMYCIN-A C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@]2([C@H]([C@@H]([C@H](O2)COP(=O)(=O)O)O)O)CO)O)O)O)O CPD-10683 Cc1c(c2c3c(cc(c2O)NC(=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@@]4(C(=O)c3c1O4)C)O)C)O)C)O)C)O)C)/C)O)[O-] CPD-10238 C([C@H](C(C(=O)[O-])[NH3+])O)C(=O)[O-] CPD-7688 C1CCC(C1)O CYCLOPENTANOL Cc1cc2c(c(c1)O)c(c(c(c2C(C)C)OC)O)C=O CPD-9529 C(C(CS)C(=O)[O-])S 3-MERCAPTO-2-MERCAPTOMETHYLPROPANOATE C[C@]1(c2cccc(c2C(=O)C3=C1C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C3=O)O)C(=O)N)[O-])[NH+](C)C)O)O 12-DEHYDROTETRACYCLINE CCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C\CCCCCCCCC)O)O CPD-9806 COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 CPD-8959 c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O BUTEIN C[As](C)O DIMETHYLARSINOUS-ACID CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4)O CPD-577 C[C@@H]1CC[C@@H]([C@@H](C1)O)C(C)C CPD-4945 C[C@@H]1[C@@H](C[C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O)O CDP-ABEQUOSE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC CPD-8304 C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC(=O)[C@@]4(C(=O)O3)C)C)C1)C=C CPD-7092 CCCCCCCCCCCCCCCCC/C=C/C/C=C/CCCCC CPD-7916 c1nc(c2c(n1)n(cn2)[C@H]3C(C([C@H](O3)CF)O)O)N CPD-5923 CCOC(=O)OC(=O)OCC DIETHYLPYROCARBONATE CC(=O)C1=C(Cc2cccc(c2C1=O)O)C[C@@H](CC(=O)[O-])O CPD1A0-6105 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C=O CPD0-1364 CC12CCCC1C3CCc4cc(ccc4C3CC2)OS(=O)(=O)[O-] STEROID-O-SULFATE CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8442 c1cc(cc(c1)[N+](=O)[O-])CO 3-NITROBENZYL-ALCOHOL COc1cc(ccc1C(=O)/C=C(/c2ccc(cc2)O)\[O-])O CPD-4302 c1(=O)[nH]c(=O)[nH]c(=O)[nH]1 CYANURIC-ACID C([C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O)O CPDQT-4 c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccccc4 OXIDIZED-LUCIFERIN Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])N CPD-10450 C1[C@@H]([C@@H]([C@H](C(=O)O1)O)O)O L-ARABINO-1-5-LACTONE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H](C(O4)NC(=[NH2+])NCCC[C@@H](C(=O)[O-])[NH3+])O)O)O)O)N CPD-10699 CC(=O)N[C@@H](CCCN=C(N)N)C(=O)O CPD-9291 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C=C(\C)/C(=O)[O-] CPD-8663 C1CC[NH+]2CC3CC(C2C1)CN4C3CCCC4=O CPD-8917 C1C2C(C(S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)NC=O)NC(=O)N2 CPD-8602 c1cc(ccc1CCC(=O)[O-])O PHLORETATE C(C(=O)[C@H]([C@@H](C(=O)C(=O)[O-])O)O)O 25-DIDEHYDRO-D-GLUCONATE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H](C(O2)(CO)O)O)O)O)O)O)O CPD-230 c1cc(c(cc1/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O)O)O CPD-8934 CCCCCCCCCCCCCCCCCCCCCC/C=C/CCCC(=O)C CPD-8496 CCCCC(CC)CO 2-ETHYLHEXAN-1-OL CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O L-1-LYSOPHOSPHATIDATE C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@H]2[C@@H]([C@H]([C@@H](C(O2)OC3=Cc4c(cc(cc4OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O=C3c6ccc(cc6)O)O)O)O)O)O)O CPD-7148 C1=CC(=O)C=CC1O BENZOSEMIQUINONE Cc1cc(cc2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O DELTA-TOCOPHEROL CCOP(=O)([O-])[O-] CPD-8978 [C@H]1(C([C@@H](C(C(C1O)O)O)O)[NH+]=C(N)N)O CPD-10149 COc1cc(ccc1O)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CPD-8004 COc1ccc(c(c1)O)[C@@H]2Cc3ccc(cc3OC2)O CPD-9366 COc1ccc(cc1)c2coc3cc(ccc3c2=O)O FORMONONETIN c1[n-]c2c(c(=O)n1)ncn2C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)O)O)O)O CPD0-1117 CC1C(C([C@H](C(O1)OC2CCC3([C@H]4CCC5(C(CCC5(C4CCC3C2)O)C6=CC(=O)OC6)C)C)O)O)OC7[C@@H](C([C@@H](C(O7)CO)O)O)O CPD-10539 c1ccc2c(c1)c(c[nH]2)CC(C(=O)NO)[NH3+] CPD0-1480 CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)[O-])[NH3+])C(=O)NC(C)C(=O)[O-])C(=O)[O-])[NH3+] CPD0-1084 C/C=C\1/CN2[C@H]3C[C@H]1C([C@@H]2CC4C3=Nc5c4cccc5)(C=O)C(=O)OC POLYNEURIDINE-ALDEHYDE *OC(C(CO)O)O 1-HYDROXYALKYL-SN-GLYCEROL CC(=C)[C@@H]1CC[C@@]2([C@H](C1)O2)C CPD-10140 c1ccc(cc1)NC(=O)Nc2ccnc(c2)Cl CPD-5481 c1ccc(c(c1)[O-])Oc2cccc(c2O)O CPD-923 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-8463 c1c(c(c(nc1O)C(=O)[O-])/C=C/C(=O)C(=O)[O-])[O-] CPD-156 CCCCCCCC[C@@H](C(CCCCCCCC(=O)[O-])OP(=O)([O-])[O-])O CPD-9001 CCCCCCCCC1=C(C1)CCCCCCCC(=O)[O-] STERCULATE CCCCCCCCCCCCCCCCCC/C=C/C/C=C/CCCCCCCC CPD-7922 c1cc(c2c(c1)OC3=CC(=O)c4c(c(cc(n4)C(=O)[O-])[O-])C3N2)C(=O)CC(C(=O)[O-])[NH3+] 512-DIHYDROXANTHOMMATIN CCCCCCCCCCCCCCCC(=O)OC/C=C(/C)\C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C CPD-523 CCC(C)C1C(=O)OC(C(C(=O)NC(C(=O)NC2CCC(N(C2=O)C(C(=O)N(C(C(=O)N1)Cc3ccccc3)C)C(C)O)O)CC4CCC(C=C4)O)NC(=O)C(CCC(=O)N)NC(=O)C(C(C)O)NC(=O)C(Cc5ccc(cc5)O)O)C CPD-10381 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O ALDOSTERONE CCCC(=O)CCCC[NH3+] CPD-9423 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8308 CCNc1nc(nc(n1)NC(C)C)N CPD-7402 C(C[C@@H](C(=O)[O-])[NH3+])CC(=O)C(=O)[O-] L-ALPHA-AMINO-EPSILON-KETO-PIMELATE c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])F CPD-8983 c1ccc2c(c1)CC(=O)C2 2INDANONE C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O)O)O D-BETA-D-HEPTOSE-1-P c1cc(cc(c1)Cl)Cl CPD-10603 C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C CPD-4126 *O[C@H]1[C@@H]([C@H](C(CO1)O[C@H]2[C@@H]([C@H](C(CO2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O)O CPD-7266 c1cc(ccc1C(CC(=O)[O-])[NH3+])O CPD-232 CC(C)CC(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)[O-] CPD-7110 COc1cc(c(cc1OC)OC)c2coc3cc(ccc3c2=O)O CPD-9532 C(C(C[NH3+])O)C(=O)[O-] AMINOBUT-CPD CC1=CCC(C=C1)C(C)CCC=C(C)C CPD-8242 C/C=C(/C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)\C(C)C CPD-7191 C(C(CO)OP(=O)([O-])[O-])O CPD-536 CC(=C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]4([C@H]3Oc5c4ccc(c5)O)O CPD-4407 C(=C(\C(=O)[O-])/Cl)\C(=C(/C(=O)[O-])\Cl)\Cl CPD-10635 Cc1c(c(c(c(c1O)OC)O)O)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)/CC/C=C(\C)/CCC=C(C)C CPD-7158 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCC(=O)CCl)O)O CPD0-1315 CC1=CC[C@@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C CPD-8794 CCC1=CC=C[C@@H]([C@@H]1O)O CIS-12-DIHYDRO-3-ETHYLCATECHOL Cc1cc(c(c(c1)O)C(=O)c2c(cc(cc2OC)O)C(=O)[O-])O DESMETHYLSULOCHRIN CC(C)C1=CC2=CCC3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(O)O)C CPD-8692 CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)/C)/C)C CPD-9910 c1ccc(c(c1)N)N CPD-9107 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)C CPD-9456 C1=CC(C(C=C1C(=O)[O-])O)(C(=O)[O-])O DIHYDROXY-14-DICARBOXY-35-CYCLOHEXDIENE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)O)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9868 C[C@H]1CC[C@@H](C[C@@H]1O)C(=C)C CPD-10026 C[n+]1cn(c2c1c(=O)[nH]cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O CPD0-1040 C(=S)(Cl)Cl CPD-8213 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[NH3+])O)O)N CPD0-1400 Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)O CPD-10545 c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8332 CCO[P@@](=O)(OCC)OCC CPD-3703 C[C@@H]1CC[C@@H]([C@H](C1)O)C(C)C CPD-4944 c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/c5ccc(c(c5)O)O)O)O)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)CC(=O)O)OC(=O)CC(=O)O)O)O)O)O CPD-7142 C[C@@H](C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(CCC(=O)C4)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-718 c1cc(ccc1/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O CPD-8674 C[C@]12C[C@@H](C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])OC2=O)O CPD-6984 CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C(=O)c2ccsc2C1=O)SC CPD-9612 CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCC CPD0-1425 CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)CO)c3c(cc4c(c3O)c(=O)cc(o4)c5ccc(cc5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O CPD-10348 C(CC(=O)N)C[NH3+] CPD-7789 CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCC/C=C/CCCCCCCCC)O CPD-9819 COC1[C@H]([C@H]([C@H](C([C@H]1O)O)O)O)O 4-METHYL-MYO-INOSITOL CCCCCCCCCC(=O)C 2-UNDECANONE c1nc(c2c(n1)[n@@](cn2)C3[C@@H](C([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])[NH3+])O)N CPD-10100 c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4ccc(c(c4)S(=O)(=O)[O-])Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)[O-] CPD-8829 COc1cc2c(c(c1OC)O)c(=O)c(c(o2)c3ccc(c(c3)O)O)OC 345-TRIHYDROXY-367-TRIMETHOXYFLAVO CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8400 CC12CCC3C(C1C[C@@H](C2)O)CCC4C3(CCC(C4)O)C 16-BETA-HYDROXYSTEROID CC1(C[C@H]1C(=O)N/C(=C\CCCCSC[C@H](C(=O)[O-])[NH3+])/C(=O)[O-])C CILASTATIN CC(=C1C=C2[C@@H]([C@@]3(C([C@@](CCC3)(C)C)CC2)C)CC1)C CPD-8696 c1c(c(nc(=O)n1[C@H]2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N)Br CPD0-1343 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9733 COc1cc2c(c(c1[O-])OC)C(=O)c3c(ccc(c3C2=O)O)O CPD-9619 COc1ccc(c(c1)O)c2coc3cc(ccc3c2=O)O 2-HYDROXYFORMONONETIN C1CCC(CC1)O CYCLOHEXANOL CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C CPD-8848 c1ccc2c(c1)NC(=O)C(O2)O CPD-6364 C1[C@@H]([C@H](N1CC[C@@H](C(=O)[O-])[NH2+]CC[C@@H](C(=O)[O-])O)C(=O)[O-])O CPD-7291 CC1=C([C@@](CC(C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C CPD-7420 CC[C@H](C)c1c(=O)n-2cc([nH]c(c2n1)CCCNC(=[NH2+])N)c3c[nH]c4c3cccc4 CYPRIDINA-LUCIFERIN [OH3+] OXONIUM CC(=CCC[C@@](C)(C=C)O)C CPD-8996 CCCCCCCCC(=O)NCc1ccc(c(c1)OC)O CPD-9183 C/C(=C\CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)/CO CPD-4202 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O 6G-KESTOTETRAOSE C(CCCCCCCC(=O)[O-])CCCCCCC=O CPD-10512 C[C@H]1CCC[C@@]2(C1C=CCC2)C CPD-10160 c1ccc2c(c1)CC(C2=O)C=O 2F1INDANONE C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C CPD-4125 C1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O CPD0-1110 c1cc(c(cc1/C=C/C(=O)[O-])O)O CPD-676 C[NH+]1CCC23C=C(C(=O)C=C2C[C@H]1Cc4c3c(c(c(c4)OC)OC)OC)OC CPD-9788 COc1ccc2c(c1OC)C=N3CCc4cc(c(cc4C3=C2)O)OC COLUMBAMINE C([C@H]([C@@H](C(=O)CO)O)O)F CPD0-1316 CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCC=O CPD-8464 c1cn(cn1)CCC(=O)[O-] IMIDAZOLE-PROPIONATE c1ccc(cc1)N(CC(=O)[O-])C(=O)N N-CARBAMOYL-D-PHENYLGLYCINE C([C@H]([C@H](C=O)O)O)O ERYTHROSE CCCCC/C=C\C/C=C\C=C\[C@H](C/C=C\CCCC(=O)[O-])OO 5Z9E11Z14Z-8R-8-HYDROPEROXYICOSA-TETRAEN C1[C@@H]([C@H](OC1=O)CO)O DEOXYRIBONOLACTONE Cc1cc(cc2c1c(=O)cc(o2)CC(=O)C)O CPD-6801 C[C@](CCSC)(C(=O)[O-])[NH3+] ALPHA-METHYLMETHIONINE C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O2)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O CPD-3783 C(CO)C(=O)[O-] 3-HYDROXY-PROPIONATE CC(=O)N[C@@H](CSSC[C@@H](C(=O)NC1[C@H]([C@@H]([C@H](O[C@@H]1OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)CO)O)O)NC(=O)C)C(=O)N[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC4[C@@H]([C@H](C([C@H]([C@H]4O)O)O)O)O)CO)O)O MYCOTHIONE C[NH2+]CCc1ccc(cc1)O CPD-391 C1N=CC(=N1)C[C@@H](C(=O)NO)[NH3+] CPD0-918 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC CPD-7755 C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4(C3CCC4[C@H](C)CCC(=C)C(C)C)C CPD-4081 C1COCC[NH2+]1 MORPHOLINE c1ccc(cc1)[C@@H]2[C@@H](O2)c3ccccc3 CPD-8984 C([C@@H]1[C@@H]([C@@H]([C@@H](C(O1)O)O)O)O)O D-TALOSE c1ccc(cc1)C[NH2+]CC(=O)[O-] CPD0-1380 CC[NH3+] ETHANAMINE c1ccc(cc1)c2cc(=O)c3ccc(cc3o2)O CPD-8141 CC1=CC[C@]2(CCCC([C@@]23[C@@H]1C3)(C)C)C CPD-8236 C[C@@H](C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)[C@H](CCC(C)C)O CPD-7192 c1cc(ccc1CO)S(=O)(=O)[O-] 4-SULFOBENZYL-ALCOHOL C/C(=C/C(=O)[O-])/C=C(\C(=O)[O-])/Cl CPD-10643 COc1c2c(c(c(c1OC)[O-])OC)C(=O)c3c(cccc3O)C2=O CPD-9631 C=C(CC(=N)C(=O)[O-])C(=O)[O-] CPD-1774 CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8439 c1ccc2c(c1)C(C(=O)N2)(CC(=O)[O-])O DIOXINDOLE-3-ACETATE c1cc2c(c(c1)O)C(=O)C(=CC2=O)[O-] CPD-275 C/C=C/C#N CPD-8861 C[C@H](CCC[C@@H](C)C(=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 CPD-1836 CCCC=C CPD-9111 C=C(CC(C(=O)[O-])[NH3+])CC(C(=O)[O-])[NH3+] CPD0-1500 c1(nc(nc(n1)Cl)N)N CPD-9356 C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)[NH+]=C(N)N)O)[NH+]=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)[NH2+]C)(CO)O CPD-10143 C(C(CO)[NH3+])O CPD-9382 CC(=O)SCC[NH3+] CPD-1096 CC(=CCC/C(=C/CC/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)C CPD-9908 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@](CO3)(CO)O)O)O)O UDP-APIOSE C1[C@@H](C(=O)[N-]O1)[NH3+] CPD-2483 C[C@H]1[C@@H]2[C@H]([N+](=CN2c3c([nH]c(nc3=O)N)N1)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O)C METHENYLTETRAHYDROMETHANOPTERIN c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)[nH]c(nc2=O)N CPD0-1055 C1[C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO)O DEOXY-D-RIBOSE-1-PHOSPHATE CCC(=O)N PROPIONAMIDE c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)F CPD0-1388 C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34C2CC[C@H](C3)C(=C)C4)C(=O)[O-])(C)C(=O)[O-] CPD1F-95 C1=C[C@@H]([C@](C=C1)(C(=O)[O-])O)O CPD-290 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])[O-] CPD-8368 CCC/C=C/C/C=C/CCCCCCCc1cccc(c1O)O CPD-9593 c1cc(c(cc1/C=C\C(=O)OC(C(CC(=O)[O-])C(=O)[O-])C(=O)[O-])O)O CPD-162 CC[C@H](C)[C@H]1C(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N1)NC(=O)N[C@H]([C@@H](C)CC)C(=O)[O-])Cc2ccccc2)C)C)CCc3ccccc3 CPD-10408 CCCCC(=O)[O-] VALERATE COc1cc2c(c3c1c(=O)c4c(cccc4o3)O)C5C=COC5O2 STERIGMATOCYSTIN CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC CPD-8079 Cc1c(c(=O)c2ccccc2[nH]1)[O-] 3-HYDROXY-2-METHYL-1H-QUINOLIN-4-ONE CC(C)CCCC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 4812-TRIMETHYLTRIDECANOYL-COA CCCC(=O)C(=O)C CPD-9081 OS(=O)O H2SO3 [C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])O CPD-3843 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCc4ccccc4)O CPD-503 C([C@@H]([C@@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] 2-KETO-3-DEOXY-D-GLUCARATE CC(CC(CC(=O)[O-])[NH3+])[NH3+] CPD-7703 c1cn(c(=O)[nH]c1=O)[C@H]2C([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)Cl CPD0-1394 C[C@H](CCCC(C)CO)[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 7-ALPHA27-DIHYDROXYCHOLESTEROL CC(=O)Cc1ccccc1 CPD-7233 C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)C(C)C CPD-3943 C[C@@](C(=O)[O-])(N)Cl CPD0-1475 c1cc(ccc1CC[NH3+])O TYRAMINE C(=C(/C(=O)[O-])\O)(\C(=O)[O-])/O CPD-640 CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8389 CCCCCCCCCCCCCCCCCCCCCCCCCC CPD-9763 CCCCCC/C=C\C=C/CCCCCCCCCC(=O)[O-] CPD-9792 CC(=C)C(Cc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)OC)O)O CPD-7129 CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N/OC)/c3csc(n3)N)SC1)C(=O)[O-] CPD-9232 CCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]1C(=O)N[C@H](C(=O)N[C@H]2C(=O)N(C(CC2)O)[C@H](C(=O)N([C@H](C(=O)NC(C(=O)O[C@@H]1C)[C@@H](C)C)Cc3cc(c(cc3)O)Cl)C)[C@H](O)C)CC(C)C)[C@H](O)C)C CPD-10407 C[C@@H]1C(=O)C[C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O CPD-9392 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8270 c1cnc2c(n1)c(nc(n2)O)[O-] 24-DIHYDROXYPTERIDINE c1c(c(cc(c1O)O)C(=O)[O-])C(=O)[O-] CPD-636 C1=C/C(=C\NO)/C(=O)C=C1 SALICYLALDOXIME c1cc[n+](cc1)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)Cc4cccs4)SC2)C(=O)[O-] CPD-9228 c1cc(cnc1)CC(O)(P(=O)(O)[O-])P(=O)(O)[O-] RISEDRONATE C[S@@](=O)CC[C@@H](C(=O)[O-])[NH3+] CPD-8990 CN(C)c1c2c(ncn1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)NC(=O)C(Cc4ccc(cc4)OC)[NH3+])O PUROMYCIN COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(c(c3C[C@@H]5[C@@H]2C(=O)OC5)OC)OCO4 CPD-8961 C(C(CO)(CO)[NH3+])O.[Cl-] TRIS-HYDROCHLORIDE CCCCCc1cc2c(c(c1C(=O)[O-])O)C3C=C(CC[C@H]3C(O2)(C)C)C CPD-7169 C[NH+]1C2CC(CC1C(C2)O)OC(=O)C(CO)c3ccccc3 CPD-2202 c1cc(ccc1/C=C/c2cc(cc(=O)o2)[O-])O CPD-6956 c1c(cc(c2c1C[C@@H](CC2=O)O)O)O CPD-56 CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4C3C=C(C(=O)C4(C)C)[O-])C)C)C)O)O CPD-5203 CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8161 COc1c(=O)c2c(cc(cc2oc1c3ccc(c(c3)O)O)[O-])O 3457-TETRAHYDROXY-3-METHOXYFLAVONE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H](C(=O)[C@@H]([C@H](O3)CO)O)O)O)O CPD-10220 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2cc(c3c(c2)oc(c(c3=O)O[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)c5ccc(cc5)O)O)O)O)O CPD1F-462 CCCCCCCCCCCCCCCC(=O)OC(COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC CPD-2187 c1cc(ccc1NC2C[C@@H](C([C@@H](C2O)O)O)CO)[N+](=O)[O-] CPD-7300 c1ccc(cc1)c2ccnc3c2ccc4c3nccc4c5ccccc5 CPD-9197 c1c(c(=O)[nH]c(=O)n1[C@H]2C[C@@H]([C@H](O2)CO)O)[S-] CPD0-1342 CC1[C@@]23C4=C([C@@](C5=[N+]4[Co+2]67N2C(=CC8=[N+]6C(=C([C@]8(C)CC(=O)[O-])CCC(=O)[O-])CC9([N+]7=C(C5)C(=C9CC(=O)[O-])CCC(=O)[O-])C)[C@H]([C@@]3(CC(=O)O1)C)CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-] CPD-9042 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 GLYCOCHENODEOXYCHOLIC_ACID C1C(=O)C(=C[C@H](O1)CO)[O-] CPD-9432 Cn1cnc2c(c1=O)nc[n@]2C3[C@@H]([C@@H]([C@H](O3)CO)O)O CPD0-1042 CC(CC(=O)[O-])(CC(=O)[O-])O CPD-547 c1cn(c(=O)[nH]c1=O)[C@H]2[C@H]3[C@@H]([C@H](O2)CO)OP(=O)(O3)[O-] CPD-3725 CCS(=O)CC(C(=O)[O-])[NH3+] CPD-9280 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)[NH3+])O)O)O CPD-472 CCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C\CCCCCCCCC)O)O CPD-9890 CC1CCC2C1C=C(CC=C2C)C(C)C CPD-8750 CC[C@](C)(C#N)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD-10277 [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] CPD-3841 C[C@@H]1[C@H]([C@@H]([C@H](C(O1)Oc2ccc(cc2)/C=C/C(=O)OC[C@@H]3[C@H]([C@@H]([C@H](C(O3)Oc4ccc(cc4)/C=C/C(=O)OC[C@@H]5[C@H]([C@@H]([C@H](C(O5)Oc6cc(cc(c6O)OC7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)/C=C/c8ccc(cc8)OC9[C@@H]([C@H]([C@@H](C(O9)OC(=O)/C=C/c1ccc(cc1)OC1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)O)O)O)O)O)O)O)O)C1=Oc2cc(cc(c2C=C1OC1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O CPD-7865 CC[C@@H](C)CCCCC(=O)N[C@@H](CC[NH3+])C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC[NH3+])C(=O)N[C@H]1CCNC(=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)CC[NH3+])Cc2ccccc2)CC(C)C)CC[NH3+])CC[NH3+])[C@@H](C)O CPD0-1277 C(=C(Cl)Cl)(F)Cl TRICHLOROFLUOROETHENE Cc1ccc(c(c1)C)C PSEUDOCUMENE C[C@@H]([c-]1c(=O)nc(o1)NC)c2c[nH]c3c2cccc3 CPD0-920 Cn1c2ccccc2c(=O)c3c1cc(cc3O)O 13-DIHYDROXY-N-METHYLACRIDONE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCC[C@@H]4[C@H]5[C@@H](CS4)NC(=O)N5)O CPD-203 CC1=CC(C[C@@]([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/[C@@H]2[C@@](CC(C=C2C)O)(C)C)\C)\C)/C)/C)(C)C)O CPD-7416 CC(=O)[S-] CPD-435 c1c(c(c(c(c1Cl)[O-])Cl)Cl)O 236-TRICHLOROHYDROQUINONE COc1cc2c(cc1OC)OC[C@@H]3[C@H]2[C@H](c4ccc5c(c4O3)C[C@@H](O5)C(=C)COC6C(C(C(C(O6)CO)O)O)O)O CPD-9677 CCCCCCCCCCCCCCCCCCCCCCO CPD-7845 C1C=CC([NH2+]1)C(=O)[O-] CPD0-1103 C(C(CS)S)O 23-DIMERCAPTOPROPAN-1-OL CC(=CCCC(=O)C)C CPD-7969 C/C=C\1/C=[N+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C(C=O)C(=O)OC 421-DEHYDROGEISSOSCHIZINE CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O CPD-802 CC(=CC=O)C PRENAL CC12CCC3C(C1CC[C@@H]2O)CCC4C3(CC[C@H](C4)O)C ANDROSTAN-3-ALPHA17-BETA-DIOL CCCCCCCCCC CPD-9287 CC(=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] S-ACETYLGLUTATHIONE C(/C=C/C(=O)C(=O)[O-])C(=O)[O-] CPD-8742 c1cc(ccc1C(=O)O)N2C[C@H]3CNc4cc([nH]c(=O)c4N3C2)N CPD-9019 CCCCCCCCCCCCC CPD-7949 C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5CC[C@H]7[C@@]6(CC[C@H](C7)O)C)C CPD-10557 Cc1ccc(cc1)O CPD-108 c1ccc2c(c1)ccc3c2C=CC(C3O)O CPD-8821 COc1cc(ccc1O)C[NH3+] CPD-9327 C1CNC(=[NH2+])N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CC[NH3+])O)[NH3+] ENVIOMYCIN CCC(=O)Oc1ccc(cc1)[N+](=O)[O-] PNP-PROPIONATE [H][C@@H]1C([C@H]([C@@H](O1)c2ccc(c(c2)OC)O)CO)Cc3ccc(c(c3)OC)O CPD-8908 c1c2c(cc(c1O)O)N[C@@H](C2)C(=O)[O-] CPD-8652 c1c(c(nc(=O)n1C2CC(C(O2)COP(=O)([O-])[O-])O)N)CO DEOXY-HYDROXYMETHYLCYTIDINE-PHOSPHATE C1CCC(=O)C(C1)O 2-HYDROXYCYCLOHEXAN-1-ONE c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)Oc3cc(cc4c3cc(c([o+]4)c5ccc(cc5)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O CPD-7278 CCCCCCCC/C=C\C=C\CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-1158 C[C@]1(CC(=O)[C@]2(C(C1)C3=CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(CCC([C@@]5(CO)C)O)C)C)C)C CPD-9482 c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O CPD0-1138 C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)[O-])OC3C(C(C(C(O3)CO)O)O)O CPD-9981 c1cc(ccc1C(=O)[O-])S(=O)(=O)[O-] CPD-257 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9647 C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)OP(=O)([O-])[O-] CPD-9755 C([C@@H](C(=O)CO)O)C(=O)C(=O)[O-] CPD-343 c1ccc2c(c1)C3=CC=CC(C3(C2=O)O)O 110-DIHYDRO-110-DIHYDROXYFLUOREN-9-ONE c1cc2c(cccc2S(=O)(=O)[O-])c(c1)NCCNC(=O)CI CPD0-1363 C[C@@]1(C2=[N+]3C(=C1CC(=O)[O-])C4[C@@]([C@@H](C5=CC6=[N+]7[Co+2]3(N45)[N+]8=C(C2)C(=C(C8(CC7=C([C@]6(C)CC(=O)[O-])CCC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-] CPD-9047 Cc1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O CPD-1110 CCCCCCCCCCCCCCCCCCCCCCCCO CPD-7874 c1ccc(cc1)c2cc(=O)c3cc(ccc3o2)O CPD-8138 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1[C@H]([C@H](C(O1)[n@@]2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)Cc4ccc(cc4)O)O 4-HYDROXYPHENYLACETYL-COA CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CO)/C)/C 8-APO-BETA-CAROTENOL C/C=C/c1ccc(c(c1)OC)OC ISOMETHYLEUGENOL c1cc(ccc1c2coc3cc(ccc3c2=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O CPD-3424 c1cc(ccc1C(=O)N[C@@H](CCC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])NCc2cnc3c(n2)c(=O)[nH]c(n3)N CPD0-1472 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)[NH3+])O)[NH3+] CPD-4824 *O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)O 13-BETA-D-GALACTOSYL-N-ACETYL-D-GLUCO c1c(c2c([nH]1)nc([nH]c2=O)N)C#N 7-CYANO-7-DEAZAGUANINE *OC[C@H](CO)OC(=O)C 1-O-ALKYL-2-ACETYL-SN-GLYCEROL C(CC(=O)N[C@@H](CSSCC(C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+])C(=O)[O-])[C@@H](C(=O)[O-])[NH3+] BIS-GAMMA-GLUTAMYLCYSTINE CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8398 CC(=O)NC(CCC[NH3+])CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1[NH+]=C2NC3C(CNC(=O)C3N2)O)CO)OC(=O)N)O CPD-9012 CCCCC/C=C/CCCCCCCCCCCCCCCCCCC=O CPD-7889 CCCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O CPD-8472 c1c(cc(c2c1C(=O)c3cc4c(c(c3C2=O)O)[C@@H]5C=CO[C@@H]5O4)O)[O-] CPD-10176 CC1=CCC(CC1)/C(=C/CC=C(C)C)/C CPD-8738 C[C@](CC(=O)[O-])(C(=O)[O-])O CPD-31 *C(=O)C1C(CCN1*)O PROCOLLAGEN-3-HYDROXY-L-PROLINE COc1cc2c(cc1[C@@H]3COc4cc(cc(c4C3=O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)[O-])O)O)O)OCO2 CPD-4567 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]([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]([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]([C@H]7O)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)O CPD-3781 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO CPD-8517 COc1cc(ccc1O)CC/N=C\C=C\2/C[C@H](NC(=C2)C(=O)[O-])C(=O)[O-] CPD-8757 CN(C)c1nc(nc(n1)O)N CPD-9336 c1ccc(c(c1)N)O 2-AMINOPHENOL C[C@]1(CC(=O)[C@]2(C(C1)C3=CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(CCC([C@@]5(CO)C)OC6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)C)C)C)C CPD-9492 CC(C(=O)[O-])NC(=O)Cc1c[nH]c2c1cccc2 INDOLE-3-ACETYL-ALA CCCCCCCCCCCCCCC(C(C(COP(=O)([O-])[O-])[NH3+])O)O PHTYOSPHINGOSINE-1-P CC(=O)c1ccc(cc1)[N+](=O)O CPD-10547 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@H]2O)O CPD-351 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC CPD-7826 CCCCCC[N+](=O)[O-] CPD-8146 C/C/1=C\CC/C(=C/C[C@@H](CC1)C(=C)CO)/C CPD-9411 CC(=O)[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 3-BETA-HYDROXY-5-ALPHA-PREGNANE-20-ONE COC(=O)C(CCCNC(=[NH2+])N)N ARGININE-METHYL-ESTER Cc1coc2c1CC[C@H](C2)C CPD-4981 C[C@@H](C1[C@@]2([C@](C3C4(C5(C4)[C@H]([C@@]([C@H](CC5)O)(C)C)CC3)CC2)(CC1)C)C)CCC(=C)C(C)C CPD-696 C[C@@H]1CC[C@H](C2=CC(CC[C@@H]12)C)[C@@H](C)C(=O)O.OO CPD-7560 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-])[NH+](C)C)O)[O-])O)O CPD0-1414 C(/C=C\C(=O)[O-])C(=O)C(=O)[O-] CPD-246 C([C@H](C(=O)[O-])[NH3+])C(=O)NO CPD-408 COc1ccc(c(c1)O)[C@@H]2COc3cc(ccc3[C@@H]2O)O CPD-3441 CC(=O)OCC(C#Cc1ccc(s1)c2cccs2)O 5-3-HYDROXY-4-ACETOXYBUT-1-YNYL-22-B CC12CCC(=O)C=C1CCC3C2C(CC4(C3CC[C@@]4(C(=O)COS(=O)(=O)[O-])O)C)O CPD-517 c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)[O-])O CPD-412 C[C@@H](CCC[C@@H](C)CCC/C(=C/COP(=O)([O-])[O-])/C)CCCC(C)C CPD-7025 c1cc(ccc1/C=C\2/C(=C(C(=O)O2)c3ccc(cc3)O)[O-])O ASPULVINONE-E C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C)O)C(C)C CPD-3946 CCCCCCCCCCCCCCCC(=O)OCCC(C)C1[C@H](C(CO1)C)C CPD-3567 C[N+]1(CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(cc4)OC)O)O)OC)C CPD-9936 CCCCCCCCCCCCCCCC CPD-8509 CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8421 CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8379 CCCS(=O)CC(C(=O)[O-])[NH3+] CPD-9278 C1CC(C(=O)CC1C(=O)[O-])O CPD-1945 CCC(C)CCCCCCCCCCCCCCCCCCCCCCCO CPD-9769 c1cc2c(cc1O)c(c[nH]2)CC[NH3+] SEROTONIN c1ccc2c(c1)Oc3ccccc3O2 CPD-922 c1cc(ccc1SCC(=O)C(=O)[O-])Br S-4-BROMOPHENYL-MERCAPTOPYRUVATE CCCCCCCCCCCCCCCCC(=O)[O-] CPD-7830 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)O)C(=O)OC CPD-9777 C/C(=C\CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO CPD-4208 CC(C)C1=CC2C(=C)CCCC2(CC1)C CPD-8731 CC(CC(C(=O)[O-])[NH3+])P(=O)(C)[O-] CPD0-1249 CCC(CC(=O)[O-])(C(=O)[O-])O CPD-620 CC[NH2+]CC(=O)[O-] CPD-10490 COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(=O)[nH]c2=O)O)O CPD0-1325 C(C1C(C(C(O1)n2c3c(c(=O)[nH]c(=O)[nH]3)[nH]c2=O)O)O)O URATE-3-RIBONUCLEOSIDE C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C CPD-4186 c1ccc2c(c1)ccc(c2O)O NAPHTHALENE-12-DIOL Cc1ccc(cc1)S(=O)(=O)N[C@@H](CC(C)C)C(=O)CCl CPD-6302 CCCCCCCCCCCCCCCC[C@@H](C(=O)[O-])O S-2-HYDROXYSTEARATE Cc1c2nc(o1)[C@@H](NC(=O)c3csc(n3)[C@H](NC(=O)c4csc(n4)CNC2=O)CCSC)C CPD-10396 CC(C)C(=O)c1c(cc(cc1O)O)O CPD-7104 CCC1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCC=C(C)C)/c(c(/c6c/c(n2)C1C)C(=O)C)C)C CPD-9090 CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD0-1050 CCCCCC(=O)CC[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-])O ALPHA-HYDROXY-915-DIOXOPROSTANOATE C[C@@H](C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-715 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)c4ccccc4C(=O)[O-])O CPD-6972 C1C[NH2+]CC1O CPD-7387 C(C=O)C(CO)C(=O)[O-] 2-HYDROXYMETHYL-4-OXOBUTANOATE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CPD-7950 *O[C@@H]1C[C@H]([C@@H]([C@H](O1)CO)O)O A-2-DEOXY-D-GLUCOSIDE CC1=C(C(CC(C1)O)(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(=O)C(CC2(C)C)O)C)/C)/C CPD-7852 C1C2C(C(C(O2)(OCC3C(C(C(O1)(O3)CO)O)O)CO)O)O DFA-IV [C@@H]1([C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)O)O CPD-8059 CC(C)C1CCC2(C3C1C4C2(C4C3)C)C CPD-8763 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7774 C1[C@H](C(C(C([C@H]1[NH3+])O)O)O)[NH3+] CPD-10151 CC[C@H]1[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5OC(=O)C)[NH+]3[C@@H]1O)c6ccccc6N4C CPD-7956 CC1(C2CCC1([C@@H](C2)OP(=O)([O-])OP(=O)([O-])[O-])C)C CPD-215 C1CCC(=O)NCC1 CPD-883 C1=C[C@H]([C@H](C=C1)O)O CPD-288 CSC(=O)C(CO)O S-METHYL-1-THIO-D-GLYCERATE Cc1c(c(c(c(c1O)OC)OC)O)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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9958 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO)O)O CPD-7246 CCC(c1ccc(cc1)S(=O)(=O)[O-])C(=O)[O-] CPD-10430 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-2182 C[S+](C)CCC[NH3+] CPD-10471 CC1=C([C@@](C[C@@H](C1)O)(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](C=C2C)O)(C)C)\C)\C)/C)/C CPD1F-119 CC(=CCC/C(=C/C=O)/C)C GERANIAL CCCCC=O CPD-9053 CCC1(C(=O)NC(=O)[N-]C1=O)CCC(C)C CPD-5742 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)O)O LUTEOLIN-7-O-BETA-D-GLUCURONIDE C(C#CC=O)O 4-HYDROXY-2-BUTYNAL C/C(=C/CCC(C)(C=C)O)/CO E-37-DIMETHYLOCTA-16-DIEN-38-DIOL c1cc2c(c3c1C[C@@H]4c5cc6c(cc5CCN4C3)OCO6)OCO2 S-STYLOPINE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC CPD-8266 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O CPD-8346 C[C@@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O L-RHAMNONATE C[C@@H]1C(=O)C[C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O CPD-1078 COc1cc2c(cc1O)occ(c2=O)c3cc(c(cc3OC)OC)OC CPD-9716 c1[nH]nc(n1)N CPD0-1491 c1ccc(cc1)C/C(=[NH+]/O)/SCC(C(=O)[O-])N CPD-7545 CCc1/c/2c/c3=C(C4c([nH]3)c(c5n/c(c\c6c(c(/c(/n6)c/c(c1C=O)n2)C=C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C CPD-8178 CC(=CCC(Cc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)O)O)C(=C)C)C CPD-9441 CCNCCCNCCCNCCCNCC CPD-10690 C1CCC(CC1)NS(=O)(=O)[O-] CPD-1124 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O CPD0-1095 CC(=O)CCC[C@@H](c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2=O)[O-])O CPD-10166 CN(C)C1c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])[NH3+])O)N=CN1 CPD-10127 CC(C)C[NH3+] CPD-630 C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCCCNC(=O)C(C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMYL c1cc(c(cc1CC(C(=O)[O-])O)O)O 3-34-DIHYDROXYPHENYLLACTATE Cc1cc2c(c(c1)O)c(=O)c3c(cc(c4c3c2c5c6cc(cc(c6c(=O)c7c5c4c(cc7O)[O-])O)C)[O-])O CPD-9561 C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-707 CC1CCC(CC2=C1CCC2C)C(=C)C CPD-8749 c1cnc(nc1C(=O)[O-])N 2-AMINO-4-CARBOXYPYRIMIDINE CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O CPD-3610 CC(=CCC/C(=C/CC/C(=C\CO)/C)/C)C 2-CIS6-TRANS-FARNESOL CCC/C=C/CO TRANS-2-HEXENOL [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-])OP(=O)([O-])[O-])O CPD-6661 C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16CC[C@@](O6)(C)CO 20S22S25S-2225-EPOXYFUROST C[C@@H]([C@@]1(C2=C([C@@]3([C@H]([C@@]([C@H](CC3)O)(C)C)CC2)C)CC1)C)CC/C=C(/CCC=C(C)C)\C CPD-10263 C[C@@]12[C@H]3[C@@H]([C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@@H]([C@@H]1O)O)OC2=O)C(=C)C5)C(=O)[O-] CPD-6224 C[C@@H](C(=O)[O-])OP(=O)([O-])[O-] S-PHOSPHOLACTATE Cn1cnc(c-2ncnc12)N 3-Methyl-Adenines C[C@@]12CC[C@@H](C([C@H]1CC[C@@H]3C2=CC[C@](C3)(C)C=C)(C)C)O CPD-9920 C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]([NH+]2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC(C6)OC7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C)C)C CPD-9213 C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C CPD-7989 *C(=O)N[C@@H](CCCC[NH2+]C)C(=O)N* CPD-8901 C[n+]1c2ccccc2nc3c1cccc3.COS(=O)(=O)[O-] PMS CC(=CCC/C(=C/C(=O)[O-])/C)C CPD-7618 c1cc(ccc1C(=O)CBr)[N+](=O)[O-] CPD-10092 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5[C@H]([C@H]([C@@H](C(O5)[C@H](CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6[C@@H](C([C@@H]([C@H](O6)COC7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)OC8C([C@H]([C@@H]([C@H](O8)CO)O)O)OC9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O[C@@]1(C[C@H]([C@H]([C@H](O1)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-938 CCCCCCCCCCCCC/C=C/CCCCCCCC CPD-7933 C(C(=O)C(=O)[O-])C(=O)N 2-OXOSUCCINAMATE C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)[O-])O)O)[NH3+] CPD-10229 CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[NH3+] BETA-ALANYL-COA COc1cc(ccc1O)CO VANILLYL-ALCOHOL CC(C)CCCCC(=O)C1[C@@H](COC1=O)CO CPD-10135 OP(=S)([O-])[S-] CPD-3735 Cc1c(cnc(c1O)C)COP(=O)([O-])[O-] CPD0-1221 CC(C)[C@@H](C(=O)[O-])N(O)O CPD-4863 Cc1ccc(c(c1O)N)C(=O)[O-] CPD-403 Cc1cccc(c1)CC(CC(=O)[O-])C(=O)[O-] 3-METHYLBENZYLSUCCINATE *C(=O)N[C@@H](COP(=O)(O)O)C(=O)N* CPD-8561 c1cc(cc(c1)O)O CPD-623 CC(=C1CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)C=O)C)C CPD-8711 c1ccc(cc1)N ANILINE CCCCCCCCCCCCCCCCC(C(=O)[O-])O R-2-HYDROXYSTEARATE C(=C(\C=C(/C(=O)[O-])\Cl)/Cl)\C(=O)[O-] CPD-10632 C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C)O)[NH3+] UDP-2-ACETAMIDO-4-AMINO-246-TRIDEOXYGL C[C@H](CC(=O)CC(C)C)[C@@H]1CCC(=CC1)C(=O)OC CPD-8837 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8324 c1cc(ccc1C[C@H](C(=O)[O-])OC(=O)/C=C/c2ccc(c(c2)O)O)O CPD-6979 CC(CNC(=O)N)C(=O)[O-] 3-UREIDO-ISOBUTYRATE CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C6=O)C(=O)OC)C)C)C=C)CO CPD-7016 CC1=CC(=O)C[C@@]([C@@]1(O)/C=C/C(=C\C(=O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)(C)C CPD-7727 C([C@H]1[C@H]([C@@H]([C@@H](C(O1)OP(=O)([O-])[O-])O)O)O)O CPD4FS-5 C([C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O CPD-372 C(CC(=O)NC(CSSCC(C(=O)NCC(=O)N)NC(=O)CCC(C(=O)[O-])[NH3+])C(=O)NCC(=O)N)C(C(=O)[O-])[NH3+] CPD-6402 C[C@@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C CPD-4664 C(NC(=O)N)O N-HYDROXYMETHYLUREA CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO CPD-7868 CCN1C(=O)CCC1=O CPD0-903 C/C/1=C\CC/C(=C/C[C@@H](CC1)C(=C)C)/C CPD-9006 CC(C)CC(C(=O)[O-])NC(=O)C(C(Cc1ccccc1)[NH3+])O BESTATIN CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O)C)O)C)C)C)O)C CPD-428 CC(C1=CC2=CCC3[C@@]([C@H]2CC1)(CCC[C@]3(C)C)C)C --ABIETADIENE COc1cc(cc(c1O)OC)/C=C/C(=O)NCCc2ccc(cc2)O CPD-8942 c1c(cc(c(c1O)O)O)[C@H]2CC(=O)c3c(cc(cc3O2)[O-])O CPD-7214 Cc1cc2c(cc1O)C(C(=O)C=C2C(C)C)(C)O CPD-9754 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC CPD-7821 C[C@@H](CCC[C@@H](C)CCC/C(=C/CO)/C)CCCC(C)C PHYTOL c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 1-O-GALLOYL-BETA-D-GLUCOSE C[NH+]1CCc2cc(c(cc2[C@H]1Cc3ccc(cc3)Oc4cc(ccc4O)C[C@H]5c6cc(c(cc6CC[NH+]5C)OC)O)O)OC BERBAMUNINE c1ccc(cc1)C2=CC=C[C@@H]([C@@H]2O)O CIS-3-PHENYLCYCLOHEXA-35-DIENE-12-DIOL CC[C@@]12C=CC[N@@H+]3[C@H]1[C@]4(CC3)c5cc(c(cc5N([C@@H]4[C@@]([C@H]2OC(=O)C)(C(=O)OC)O)C)OC)C6(CC7CC(C[NH+](C7)CCc8c6[nH]c9c8cccc9)(CC)O)C(=O)OC CPD-7858 CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCC[NH3+])C(C)C)Cc4ccccc4)CC(C)C)CCC[NH3+])C(C)C)Cc5ccccc5 CPD-10290 CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD1G-332 CCCCCCCCO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O CPD0-1051 C1CCNC(=O)[C@H](C1)[NH3+] L-2-AMINO-HEXANO-6-LACTAM CCC1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)[O-])/c(c(/c6c/c(n2)C1C)C(=O)C)C)C CPD-9066 COP(=O)(OC)OC=C(Cl)Cl CPD-10185 CCCCCCCC/C=C\CCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8300 C[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-] CPD-404 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])C(c4ccccc4)O)O CARBOXYMETHYL-HYDROXYPHENYLPROPCOA c1cc(c[n+](c1)C2[C@@H]([C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])OCC3[C@H]([C@H](C(O3)[n@@]4cnc5c4[nH]c([nH+]c5=O)N)O)O)O)O)C(=O)N CPD-8830 C[Se]CCC(C(=O)[O-])[NH3+] SELENOMETHIONINE CC(C[As](=O)(c1ccccc1)[O-])O CPD-7058 Cc1c(c(c2c(c1[O-])[C@]3(C(=CC(=C(C3=O)C(=O)C)[O-])O2)C)C(=O)C)O CPD-7411 CC(C)CSCC(C(C(C=O)O)O)O 5-ISOBUTYLTHIORIBOSE CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)C CPD-4205 CCCCCCCCCCCCCCCCCCCC/C=C/CCCC=O CPD-7912 Cn1cnc2c1c(=O)n(c(=O)n2C)C 1-3-7-TRIMETHYLXANTHINE COc1cc(cc(c1O)OC)/C=C/C(=O)O[C@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)C(=O)[O-] O-SINAPOYLGLUCARATE 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 CPD-293 CCCCCCCCCCCCC/C=C\C(=O)[O-] CPD-9767 c1ccc(c(c1)/C=C/C(=O)[O-])O 2-COUMARATE C(C[C@@H](C(=O)[O-])[NH3+])C[NH2+]CCC[NH3+] CPD-10012 C#[N+]C1CCCCC1 CYCLOHEXYL-ISOCYANIDE C(=[NH2+])(N)S(=O)[O-] CPD0-1038 CC1=CC2C(=C(CCCC2(C)C)C)CC1 CPD-8733 c1ccc(c(c1)C(=O)CC(C(=O)[O-])[NH3+])NC=O CPD-10488 c1ccc2c(c1)c(c[nH]2)C/C(=N\OS(=O)(=O)[O-])/[S-] CPD-1881 C1CC(=O)N[C@@H]1C(=O)[O-] 5-OXOPROLINE CC(C(=O)[O-])OP(=O)([O-])[O-] PHOSPHOPYRUVATE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7773 C1=CC(N2C(=C1)C(=O)S[Cu]2(Cl)Cl)C(=O)[S-] CPD-8209 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])OP(=O)([O-])[O-] CPD-3728 CCC1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)/c(c(/c6c/c(n2)C1C=O)C(=O)C)C)C CPD-9091 CC(C)C(=O)/C=C\C=C(/C(=O)[O-])\O CPD-1008 CC(=C1CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)C(=O)[O-])C)C CPD-8712 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8388 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C/C=C\CCO)O 6-HYDROXY-3-HEXENOYL-COA CCCCCc1cc(c(c(c1C(=O)[O-])O)C/C=C(\C)/CCC=C(C)C)O CPD-7166 c1cc(ccc1[C@H](C(=O)N[C@H]2CN(C2=O)[C@H](c3ccc(cc3)O)C(=O)[O-])[NH3+])O CPD-9418 CC(=O)N[C@@H](CCCC(=O)OP(=O)([O-])[O-])C(=O)[O-] N2ACETYL-ALPHA-NP COc1ccc(cc1OC)C(CO)O CPD-5702 C1C=C(N2[C@H]1CC2=O)C(=O)[O-] CPD-9377 [C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)O CPD-8052 CC(=C)[C@H](CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)[C@@](COP(=O)(OP(=O)(OC[C@@H]1O[C@@H](C(C1OP(=O)([O-])[O-])O)n2c3ncnc(c3nc2)N)[O-])[O-])(C)C)CCC(=O)C CPD-10066 CC(C(=C)C(=O)[O-])C(=O)[O-] 2CH2-3CH3-SUCC C(CC[NH3+])CC(=O)N 5-AMINOPENTANAMIDE COC(=O)/C=C/C(=O)NC[C@@H](C(=O)[O-])[NH3+] CPD0-1236 C([C@@H](C(=O)[O-])[NH3+])/C(=C/C=O)/C=C(\C(=O)[O-])/O CPD-253 c1c(c(=O)[nH]c(=O)[nH]1)F CPD0-1327 CCCCCCCCCC[C@H](C(=O)[O-])[C@](CC(=O)[O-])(C(=O)[O-])O HYDROXYTRIDECANE-ETCETERA-TRICARBOXYLATE COc1ccccc1I 2-IODOPHENOL-METHYL-ETHER C([C@@H](C(=O)[O-])[NH3+])OC(=O)N CPD-677 CCNc1nc(nc(n1)Cl)NCC CPD-9355 CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8374 C1=CC2C(=O)O[Cu]3(N2C(=C1)C(=O)S3)Cl CPD-8212 CC1=CC[C@H]2[C@H]3C1[C@@]2(CCC3C(C)C)C CPD-8234 CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)[O-] ETHACRYNATE CC1=C2[C@H](C=C(CC2O)C)[C@H](CC1)C(C)C CPD-9523 C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C CPD-9212 CC(=O)C(=O)C(COP(=O)([O-])[O-])O CPD-10551 C[C@]12CC=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])OC2=O CPD-6983 CC(C)(C)[C@@H]([C@H](Cc1ccc(cc1)Cl)n2cncn2)O CPD-6970 C(C(CO)O)C(=O)C(=O)[O-] 2-DH-3-DO-D-ARABINONATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)C CPD-9087 C=C(C[C@@H](C(=O)[O-])[NH3+])Cl CPD-680 CN1CCc2cc3c(cc2C(=O)Cc4ccc(c(c4C1)OC)OC)OCO3 ALLOCRYPTOPINE Cc1cccc(c1N)C(=O)[O-] CPD0-1490 CCCCCCCCCCCCCCC(C(CCCCCCC/C=C/CCCCCC)O)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O CPD1G-1344 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8331 C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC([C@@]5(C4CC(CC5)(C)C)C(=O)[O-])O)C)C)(C)C(=O)[O-])O CPD-9476 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)OP(=O)([O-])[O-] CPD-3732 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)C4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O CPD-10347 CC1(C2CCC(=C)C1C2)C CPD-3221 Cc1c(c2c(cc1O)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C GAMA-TOCOPHEROL CC=N(=O)[O-] CPD-320 c1ccc2c(c1)C(=O)/C(=C\3/C(=O)c4ccccc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c3ccccc3C(=O)C1(O2)C)/C 23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ CC(C(C)O)[N+](=O)[O-] CPD-8151 c1(c(nc(c(n1)Cl)N)N)C(=O)N=C(N)N CPD-10324 C[C@@H]1CC[C@H](C[C@H]1O)C(=C)C CPD-10027 C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)[O-])C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O CPD-5303 C1=CC(=O)O[C@H]1[C@H](C(=O)[O-])Cl CPD-10638 C/C/1=C\2/N=C([C@H]([C@@]2(CC(=O)N)C)CCC(=O)N)/C=C/3\N=C(/C(=C/4\N([C@@H]([C@@]5(N=C1[C@H]([C@@]5(CC(=O)N)C)CCC(=O)N)C)[C@@H]([C@]4(CCC(=O)O)C)CC(=O)N)[Co+])/C)[C@H]([C@]3(C)C)CCC(=O)N CPD-9083 C/C(=C\CNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4622 C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])CO)O)C(=O)[O-] CPD-6202 CC(C)CC(=O)c1c(cc(cc1O)O)O 3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN C([C@H](C(=O)[O-])OP(=O)([O-])[O-])C(=O)[O-] R-PHOSPHOMALATE CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8396 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]2O)O)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]([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](OC([C@@H]([C@H]7O)O)O)CO)CO)CO)CO)CO)CO)O)O)O)O CPD0-1133 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)C5CCOC5O2 CPD-10179 c1c(c(nc(=O)n1[C@H]2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N)I CPD0-1344 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])O ISOVITEXIN C(CC(CF)(C(=O)[O-])[NH3+])C[NH3+] CPD0-1240 C/C(=C/C=C\C(=O)[O-])/C(=O)[O-] CPD-10657 C([C@@H](C(=O)CO)O)O ERYTHRULOSE *OCC(=O)CO O-ALKYLGLYCERONE C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C CPD-710 c1cc(c(cc1C[C@@H](C(=O)[O-])O)O)O CPD-7022 CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)[C@H]([C@@H]7CCC(=O)[O-])C)/C(C6=O)C(=O)OC)C)C)C=C)C=O CPD-7014 C([C@@H]1[C@@H]([C@H]([C@@H](C(O1)O)O)O)O)O IDOSE c1cc(cc(c1)O)C(=O)[O-] 3-HYDROXYBENZOATE CCCCCCCCC(=O)[O-] CPD-8505 CCCCCC[NH3+] CPD-10098 C([C@@H](C(=O)[O-])[NH3+])SCC(=O)[O-] CPD-44 Cc1ccccc1[N+](=O)[O-] 2-NITROTOLUENE C(CC(C(C(=O)[O-])O)C(=O)[O-])CC(=O)[O-] CPD-285 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC5[C@@H]([C@](CO5)(CO)O)O)O)O 7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU c1cc(cc(c1)C(=O)O)C(=O)CCC2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=CN=C4=O)O)O CPD-10477 C1C[NH+](C1C(=O)[O-])CCC(C(=O)[O-])[NH2+]CC[C@@H](C(=O)[O-])O CPD-7227 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4=O)O CPD-554 Cc1ncc(c(n1)N)C[n+]2ccccc2 CPD-1826 c1cc(ccc1C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)S(=O)(=O)F CPD0-1461 CC12CCCC1C3CCc4cc(ccc4C3CC2)O PHENOLIC-STEROID CC1=CC(=O)C(=C(C1=O)OC)OC CPD0-1464 c1ccc2c(c1)C(C(=O)N2)CC(=O)OC3C(C(C(C(O3)CO)O)O)O CPD-9592 CCCCCCCCC/C=C/CC/C=C/C(C(CO)NC(=O)C(CCCCCCCCC)O)O CPD-8429 COc1cc(cc(c1O)O)/C=C/C=O 5-HYDROXY-CONIFERALDEHYDE c1ccc(c(c1)/C=C\C(=O)[O-])O CPD-7418 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)Oc3cc4c(cc(cc4[o+]c3c5ccc(c(c5)O)O)O)[O-])O)O)O)O)O)O CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE CC(C)/C=N\O CPD-4861 CSCCC(=O)C(=O)COP(=O)([O-])[O-] CPD-8999 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 CHENODEOXYCHOLATE C=C(Cl)Cl 11-DCE c1cc(ccc1c2cc(=O)c3c(cc(c(c3o2)C4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[O-])O)O VITEXIN-2-O-BETA-D-GLUCOSIDE CC(=C[C@@H](CC(=C)C=C)O)C CPD-8835 CC(C)CCCCCCCC(=O)NCc1ccc(c(c1)OC)O CPD-9333 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 CPD-7236 C=C(C(=O)[O-])O[C@H]1C=CC=C(C1[NH3+])C(=O)[O-] CPD-9517 CC(=CCC/C(=C/Cc1cc(ccc1O)O)/C)C CPD-9319 CC12CCC(CC1CCC3[C@@H]2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6[C@@H](C([C@@H](C(O6)CO)O)O)O CPD-10536 CC1CNC(=O)NC1=O DIHYDRO-THYMINE C1CC[NH2+]CC1 PIPERIDINE C(C(=O)C(=O)[O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)O CPD0-1506 C[C@@H]1C2C(C[C@H](O1)CC(=O)[O-])C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)[O-])O)O CPD1A0-6123 Cc1c(cccc1N=C=O)N=C=O CPD-9139 *C(=O)N[C@@H](CO)C(=O)N* CPD-8562 CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C CPD-7248 c1ccc(cc1)C2CC(c3ccccc3O2)O CPD-2042 CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC CPD-9776 CN1[C@H]2CC[C@@H]1[C@H](C(=O)C2)C(=O)OC CPD-9775 CC(=CCc1c(cc(c2c1occ(c2=O)c3ccc(cc3O)O)O)[O-])C CPD-6645 C1CC=[N+](C1)CCC[NH3+] CPD-6123 c1c(n(cn1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)NC(=O)[O-] CPD-9005 C/C=C/1\C(=O)NC(C(C(=O)NC(C(=O)NC(C(C(=O)NC(CCC(=O)N1C)C(=O)[O-])C)/C=C/C(=C/C(C)C(Cc2ccccc2)OC)/C)CCCNC(=[NH2+])N)C)C(=O)[O-] CPD-10366 c1c(c(=O)[nH]c(=O)n1[C@@H]2C[C@@H]([C@@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)CO CPD0-1345 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 CPD-5962 c1ccc(cc1)[C@H]([C@@H](c2ccccc2)O)O CPD-8985 Cc1ccc(cc1)C=O CPD-8773 C(CCC/C=C/CCCCCCCC(=O)[O-])CCCC(=O)[O-] OCTADEC-9-ENE-118-DIOIC-ACID 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@@](C[C@@H](C=C2C)O)(C)C)\C)\C)/C)/C CPD-7421 C[C@@H]1[C@H](C[C@H]([C@H](O1)O)O)O CPD-9399 CCC(C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-9406 CCCCCCCCCC=O CPD-8490 c1cc(c(cc1O)O)Br CPD-1621 Cc1cccc(c1)Cl CPD-10654 C1CSCC([NH2+]1)C(=O)[O-] THIOMORPHOLINE-3-CARBOXYLATE CC1=CC(=O)C(C1(C)C)CC(=O)[O-] CPD-866 c1cc2c(cc1O)c(=O)c3c(cc(cc3o2)[O-])O CPD-6883 CCCCCCC CPD-9286 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 CPD-9235 C[NH2+][C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)CO)O)O CPD-10137 COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2c3cc(c(cc3CC[NH2+]2)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O DEACETYLISOIPECOSIDE C(#N)N CPD-657 c1cc(ccc1C(=O)[O-])F 4-FLUOROBENZOATE c1cc(ccc1NC2C[C@@H](C(C(=O)C2O)O)CO)[N+](=O)[O-] 4-NITROPHENYL-3-KETOVALIDAMINE CC(CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO CPD-4616 CCC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])Oc3ccccc3.[K+] CPD-9223 C[C@@H](C(=O)NC(C)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])[O-])NC(=O)C CPD0-1330 COc1ccc2c(c1)occ(c2=O)c3ccc(cc3)O CPD-3343 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8289 C[NH+]1CCc2cc(c(c-3c2[C@@H]1Cc4c3c(c(cc4)OC)O)O)OC CPD-9935 CC/C=C\C/C=C\CC=O CPD-8685 CCOP(=S)(OCC)Oc1ccc2c(c(c(=O)oc2c1)Cl)C CPD-8964 c1ccc-2c(c1)Cc3c2c(c(cc3)O)O 3-4DHFLUORENE C1CC1Nc2nc(nc(n2)N)N CPD-7403 C(=O)[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O CPD-10583 *C(=O)NC(COP(=O)([O-])[O-])C(=O)N* CPD-8525 C1[C@@H]([C@H](O[C@H]1n2c3=NCNC(=c3[nH]c2=O)N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O CPD0-1093 CC1=C([C@@](C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2[C@@](CCC=C2C)(C)C)\C)\C)/C)/C CPD-5661 CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCC[NH3+])O)O)O.CS(=O)(=O)[O-] CPD-8951 CC1c2ccccc2NC1=O 3-METHYLOXINDOLE C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O A-24-DIOXOTETRAHYDROPYRIMIDINE-D-RIBONU CC1=C2[C@@]([C@@H](C3=CC4=[N+]5C(=Cc6c(c(c7n6[Co+2]5(N32)n8c1c(c(c8C7)CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])[C@H]([C@]4(C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-] CPD-9040 CC(=CCC/C(=C/CC/C(=C/C=O)/C)/C)C 2-TRANS6-TRANS-FARNESAL CC(C)/C=C/CCC(=O)NCc1ccc(c(c1)OC)O CPD-9330 C/C=C(/CC[C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)\C(C)C CPD-4127 CCCCCCCCCCCCCCCCCCCCC(C(=O)[O-])O CPD-9780 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC CPD-7756 c1cc(ccc1C=O)C(=O)[O-] 4-CARBOXYBENZALDEHYDE CC1=CC(=O)OC1C(C(=O)[O-])Cl CPD-10645 COc1cc(cc(c1O)O)C(=O)[O-] CPD-721 C[C@@]1(C2=[N+]3C(=C1CC(=O)[O-])[C@]4([C@@]([C@@H](C5=CC6=[N+]7[Co+2]3(N54)N8C(=C2)C(=C(C8(CC7=C([C@]6(C)CC(=O)[O-])CCC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])C)CCC(=O)[O-] CPD-9043 c1ccc(cc1)Oc2cccc(c2)CCCC(P(=O)(O[K])O[K])S(=O)(=O)O[K] CPD-9926 CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)[O-])C)C)C)C GLYCYRRHIZINATE C1C(=O)[C@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O CPD-9663 c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)[O-])NC(=O)CC(=O)[O-] N2-MALONYL-D-TRYPTOPHAN C(CC[NH3+])CC(C(F)F)(C(=O)[O-])[NH3+] CPD-7990 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC CPD-7819 C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)NC(=[NH2+])N)O)NC(=[NH2+])N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)[NH2+]C)(C=O)O CPD-484 c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O)O 5734-TETRAHYDROXYFLAVONE [Cl-].[K+] KCL CC(C)C[C@@H](C(=O)[O-])NC(=O)C CPD-433 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8321 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)[O-])[NH3+] 7E9E11Z14Z-5S6R-6-CYSTEIN-S-YL c1cc(c(cc1C=O)N)O CPD-7367 C[C@H]1CC[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O 7-DEOXYLOGANIN C1[C@@H](C([C@@H](C(C1[NH3+])O)O)O)CO CPD-7301 CCCCCCCCCCCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCOC)OCCOC)OCCOC CPD-3767 Cc1c(ccc[n+]1Cc2cnc(nc2O)C)CCO.[Br-] HYDROXY-ETC-METHYLPYRIMIDINIUM C(CCCCC(=O)[O-])CCCC(=O)[O-] CPD-3623 CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC CPD-7802 CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C(CCCCCCCCCC)O)O)O CPD-8448 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-8461 c1ccc2c(c1)C3=C(C2=O)C=CC(C3O)O 3-4DH3-4DH9FLUORENONE CC(=CCC/C(=C/Cc1cc(ccc1O)O)/CO)C CPD-9320 CC(C)C[C@@H](C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C)NC(CCCNC(=[NH2+])N)C=O LEUPEPTIN CC(=O)NC(CCP(=O)(C)[O-])C(=O)[O-] CPD-9999 CCc1cccc(c1O)O 3-ETHYLCATECHOL C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)C)O)C)C)C)(CC1)C)C CPD-6948 C=CC#N ACRYLONITRILE C[C@@H](C1[C@@]2([C@](C3C4(C5(C4)[C@H]([C@@]([C@H](CC5)O)(C)C)CC3)CC2)(CC1)C)C)CCC=C(C)C CYCLOARTENOL C(CC(C(=O)[O-])[NH3+])CC(C(=O)[O-])NN CPD0-1498 CCC(C)C(=O)Oc1ccc(cc1C2C(O2)C)OC CPD-9948 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD-3582 CC1(N=N1)CCSC2C=CC3C(C2O)O3 CPD0-1294 Cc1cn(c(=O)[nH]c1=O)C2CC3C(O2)COP(=O)(O3)[O-] CPD-3733 c1cc(c(cc1C=O)O)O CPD-7616 C=CC=O ACROLEIN 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 CPD-7561 CC(CCOP(=O)([O-])[O-])(CC(=O)[O-])OP(=O)([O-])[O-] MEVALONATE-DP CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O CPD-9824 COC(=O)CC[NH3+] BETA-ALANINE-METHYL-ESTER CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C4CCC5C4(C(CC6C5CCC7C6(CCC(C7)O)C)O)C DEOXYCHOLYL-COA COc1cc2ccc(=O)oc2c3c1occ3 CPD-9837 c1cc(ccc1c2coc3cc(ccc3c2=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O)O CPD-3425 CC1=NC(C(=C1CC(=O)[O-])CCC(=O)[O-])CC2=NCC(=C2CC(=O)[O-])CCC(=O)[O-] DIPYRROMETHANE Cc1c2nc(o1)[C@@H](NC(=O)c3csc(n3)C(NC(=O)c4csc(n4)C(NC2=O)C)C)C CPD-10401 CCCCCC=O HEXANAL CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8279 C(CC#N)CC#N CPD-8864 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC(COP(=O)([O-])[O-])C(=O)[O-])O)O)O)O CPD-9189 COc1ccc(cc1)c2coc3cc(ccc3c2=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O ONONIN C(C(Cl)(Cl)Cl)Cl 1112-TETRACHLOROETHANE CN1C(=O)C=CC1=O CPD-28 c1cc2c(cc1c3coc4cc(ccc4c3=O)O)OCO2 CPD-3628 C(C1C(C(C(C(O1)OCC(Cl)(Cl)Cl)O)O)O)O CPD-9676 [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 CPD-6742 COc1cc(ccc1O)/C=C/C(=O)NCCc2ccc(cc2)O CPD-440 C[C@@H]1[C@]23C(=C([C@@]([C@H](C2)CC3)(C)C)C)[C@H](C1)O CPD-9960 C[S+](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O CPD0-1396 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8317 c1cc(ccc1C(=O)[O-])NCCC2=Nc3c([nH]c(nc3=O)N)NC2 CPD0-1251 CC1=CCC(=C(C)C)CC1 CPD-4890 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9867 C([C@H]([C@H](CO)O)O)O ERYTHRITOL C(CC(=O)[O-])[C@@H](C(=O)[O-])O CPD-381 C[C@](CCC(=O)[O-])(C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])NC(=O)c1ccc(cc1)NCc2cnc3c(n2)c(=O)[nH]c(n3)N CPD0-1473 C([C@H]1[C@@H]([C@@H]([C@H](O1)O)O)O)O CPD-6001 CC(C)(COCCCO)Nc1cccc2c1CCCC2O 5-TERT-BUTYLAMINOL-2-HYDROXYPRO-1234-TET C(CC(=O)[O-])C(=O)CCl CPD-8828 C([C@@H]1[C@H]([C@@H](C(=O)[C@@H](O1)O)O)O)O CPD-327 CC(=NNC(=[NH2+])N)C=NNC(=[NH2+])N CPD0-1398 CC(=O)N[C@@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O CPD-3615 CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C GLYCYRRHETINATE COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3C[C@@H]5[C@@H]2C(=O)OC5)OCO4 CPD-8958 Cc1ccccc1C CPD-1421 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCC/C=C\C/C=C\CC=C)O CPD-10255 CC1=C[C@H]2[C@]3([C@@]4([C@H]([C@@](CCC4)(C)C)CC2)C)C[C@H]1CC3 CPD-4752 c1nc(c2c(n1)[n@@](cn2)C3[C@@H]([C@@H]([C@H](O3)C(=O)N)O)O)N ADENOSINE-5-CARBOXAMIDE C(=C(Cl)Cl)(Cl)Cl TETRACHLOROETHENE CC(C1CCC2C1(CCC3C2CCC4C3(CC[C@H](C4)O)C)C)O PREGNANEDIOL CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)OO)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8167 C([C@H]1C(=O)NC(=O)N1)C(=O)[O-] CPD-587 C(CCNC(=[NH2+])N)CNC(=[NH2+])N CPD-595 C[C@@H](C1CCCN1C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)[C@@H](C)NC(=O)C(C)(C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C)[NH2+][C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](Cc3ccccc3)CO CPD-6601 C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4(C3CCC4[C@H](C)CCCC(C)C)C)C)O CPD-4184 COc1cc-2c(c(coc2cc1=O)c3ccc(cc3)O)O CPD-7027 CC(CO)[NH3+] CPD0-1260 c1cc(ncc1C(=O)N)N CPD-9571 C1CCC(CC1)[NH2+]C2CCCCC2 CPD0-1376 C(CC(=O)[O-])[C@@H](CO)C(=O)[O-] CPD-9438 CCCCCCCC/C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10270 *C\1=C(c2/cc\3/c(c4c5n3[Mg]n6c(/cc/7\nc(c5C(C4=O)C(=O)OC)[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)c(c(c6/cc1\n2)C=C)C)C)CC CHLOROPHYLL [C@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] THREO-3-HYDROXY-L-ASPARTATE c1cc(c(cc1c2c(cc3c([o+]2)cc(cc3OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O CPD-7138 c1cc(cc(c1)S(=O)(=O)[O-])[N+](=O)[O-] CPD-10423 CC(C)Nc1nc(nc(n1)SC)NC(C)C CPD-9344 C=CCl VINYL-CHLORIDE C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)[C@]1(C(C[C@@H](C1)O)(C)C)C)/C)/C)/C=C/C=C(/C=C/C(=O)[C@]2(C(C[C@@H](C2)O)(C)C)C)\C CAPSORUBIN C(=[NH2+])(N)N CPD0-1470 CC1=C([C@@](CC=C1)(C)C)C=O CPD-8669 CCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8433 C/C/1=C\CC/C(=C/C=C(\CC1)/C(C)C)/C CPD-8745 C(C(C[NH3+])O)[NH3+] CPD0-1258 C([C@@H](C=O)O)OP(=O)([O-])[O-] L-GLYCERALDEHYDE-3-PHOSPHATE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccccc4)O CINNAMOYL-COA CC(=O)N[C@@H](CCCC(=O)[O-])C(=O)[O-] N2-ACETYL-ALPHA-AMIN CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O CPD-10686 CCCCCCCCCCCCCCCCCCCCCCCCCCCCC CPD-7940 C([C@@H]([C@H](C(=O)[O-])O)O)O L-THREONATE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8297 CC(=C)[C@H]1CC[C@@]([C@@H](C1)O)(C)O CPD-10055 Cc1cc(cc(=O)o1)[O-] CPD-6862 c1cc(c(cc1c2c(c(=O)c3c(cc(c(c3o2)O)O)O)[O-])O)O 334578-HEXAHYDROXYFLAVONE CC(/C=C\C(=O)C(=O)[O-])C(=O)[O-] CPD-9164 CCCCCCO HEXANOL-CMPD C1CC=N[C@@H](C1)C(=O)[O-] CPD-7682 c1c(c2c(nc1C(=O)[O-])C(C(C=C2)O)O)[O-] CPD-274 CN(C)c1ccc(cc1)/N=N/c2ccccc2 4-DIMETHYLAMINOPHENYLAZOBENZENE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9968 C(=C(\C=C(/C(=O)[O-])\O)/C(=O)[O-])\C=O CPD-87 CC(=O)OCc1ccccc1 CPD-6501 CCCOCCC DIPROPYLETHER CC(C[N+](C)(C)C)O CPD-639 COc1ccc(cc1OC)CC=C CPD-6482 CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)([O-])OCC(CO)O CPD-8363 [C@H]1([C@H](C([C@H]([C@@H](C1O)[NH+]=C(N)N)O)O)O)[NH+]=C(N)N CPD-10148 Cc1c(c2c(cn1)C(=O)OC2)O CPD-9028 Cc1cccc(c1O)C(=O)[O-] CPD-10665 c1cc(ccc1[C@H](C(=O)[O-])N2C[C@@H](C2=O)NC(=O)/C(=N\O)/c3ccc(cc3)OCC[C@H](C(=O)[O-])[NH3+])O NOCARDICIN-A Cc1cnc(c(c1C=O)O)C CPD0-1408 CC(=O)N[C@@H](CCC[C@@H](C(=O)[O-])[NH3+])C(=O)[O-] CPD-1771 C[C@]1([C@H]2[C@@]([C@@]34[C@H](C[C@@H](C3)C(=C)CC4)CC2)(CCC1)C)C CPD-9907 CC(=O)N(c1ccc(cc1)c2ccccc2)O N-HYDROXY-4-ACETYLAMINONBIPHENYL C[NH+](C)CCOP(=O)([O-])[O-] CPD-5441 CC1C(N=C(O1)c2cccc(c2O)O)C(=O)N(CCCCNC(=O)c3cccc(c3O)O)CCCNC(=O)c4cccc(c4O)O CPD-9987 CC(=O)OC METHYL-ACETATE CCCCCCCCCCCCCCCC/C=C/C/C=C/CCCCCCCC CPD-7921 C([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O)O CPD-357 c1c(cc(c(c1O)O)O)c2c(cc3c([o+]2)cc(cc3OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O CPD-7139 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2Oc3cc(c4c(=O)cc(oc4c3)c5ccc(cc5)O)O)CO)O)O)O)O)O APIGENIN-7-O-NEOHESPERIDOSIDE C/C(=C\C=C\C=C(\C=C\C=C(\C=O)/C)/C)/C=C/C=C(/C=O)\C CPD-8660 C(CC(=O)[O-])C(=O)C(C(=O)[O-])Cl CPD-8827 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC CPD-8262 CC1=C[C@H]2[C@@H](CC1)C(=C)CC[C@H]2C(C)C CPD-8790 CC(C)C(=O)[O-] ISOBUTYRATE C(=C\C=O)\C=C(/C(=O)[O-])\O HYDROXYMUCONATE-SALD C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@H]2[C@@H]([C@H]([C@@H](C(O2)Oc3cc4c(cc(cc4[o+]c3c5cc(c(c(c5)O)O)O)O)[O-])O)O)O)O)O)O CPD-7145 C(CCI)C[P@@](=O)(O)[O-] 5-IODOPENTAPHOSPHONATE C(CCC(=O)[O-])CCO CPD-102 Cc1c(cc(c(c1[N+](=O)[O-])C2C(C(C(C(O2)CO)O)O)O)NO)[N+](=O)[O-] CPD-10458 c1c(cc(c2c1C(=O)C(=C(C2=O)C3=C(C(=O)c4cc(cc(c4C3=O)O)O)[O-])[O-])O)O CPD-10680 c1ccc(cc1)N(c2nccs2)S(=O)(=O)[N-]C(=O)N CPD0-1433 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)[NH3+])C(=O)[O-])C CPD-9195 c1cc(ccc1C=O)S(=O)(=O)[O-] 4-SULFOBENZALDEHYDE CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC CPD-7783 CC(C)CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 7-METHYL-3-OXOOCTANOYL-COA CCCCCC(=O)NC N-METHYLHEXANAMIDE c1ccc(cc1)C[NH+]=C(N)N CPD0-1431 CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C CPD-8617 C(C/C(=C/C(=O)[O-])/C(=O)[O-])CC(=O)[O-] CPD-153 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O[C@@H]2C(C(C([C@H](O2)CO)O)O)O)O)O)O CPD-10463 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8401 Cc1ccc2c(c1O)C(=O)c3cc(c(cc3C2=O)OC)O CPD-9618 C[C@@H]([C@@H](C1CNC2=NC(=NC(=O)C2(N1)O)N)O)O CPD-5881 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O QUERCETIN-33-BISSULFATE C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OS(=O)(=O)[O-] CPD-544 C[NH+]1CCc2cc(c(cc2C1Cc3ccc(c(c3)O)OC)OC)OC CPD-8924 CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8456 CC(=CCc1c(cc(c2c1OC(CC2=O)c3ccc(cc3)O)O)[O-])C CPD-7133 C(CSSCC[NH3+])[NH3+] CYSTAMINE CCCCCCCCO[C@H]1C([C@H](C([C@H](O1)CO)O)O)O CPD-7655 C[C@H]1CC[C@@H](CC1=O)C(=C)C CPD-10041 C[C@]1(C[C@H](C[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])C(=O)[O-])O)C(=O)[O-] CPD-6223 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)[O-])OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-7117 C([C@@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O L-XYLONATE c1ccc2c(c1)-c3ccccc3S2(=O)=O CPD-944 c1c(ncn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)CC(=O)[O-] 1-5-PHOSPHORIBOSYLIMIDAZOLE-4-ACETATE C(C(C(=O)[O-])O)C(=O)N 2-HYDROXYSUCCINAMATE CC1=CCC2C(=O)c3c(c(c(c(c3C(=O)C2(C1CC=C(C)C)C)C(C)C)OC)[O-])C=O CPD-9748 CC(CCCC(C1[C@@]2([C@](C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)(CC1)C)C)C)C CPD-8606 C1CC[NH+]2CC3CC(C2C1)C(=O)N4C3CCCC4 CPD-8919 C1[C@@H]([C@@H](C(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2C(C(CO2)O)O)O)O P1P4-BIS5-NUCLEOSYL-TETRAPHOSPHATE C([C@H]1[C@@H]([C@H]([C@@](O1)(CO)OC[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O INULOBIOSE c1ccc2c(c1)C(C(=O)N2)(CC(=O)[O-])OC3[C@@H]([C@H]([C@@H](C(O3)CO)O)O)O CPD-9642 CCCCC/C=C\C=C\C(CCCCCCCC(=O)[O-])OO CPD-8677 c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)Oc3cc4c(cc(cc4[o+]c3c5ccc(c(c5)O)O)O)[O-])O)O)O)O CPD-7866 CC(=O)CSCCS(=O)(=O)[O-] 2-OXOPROPYL-COM C[C@@H]1CC[C@H](COC1=O)C(=C)C CPD-10048 c1cc2c(cc1O)OC[C@H]3[C@@H]2Oc4c3cc5c(c4)OCO5 CPD-4462 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8311 c1cc(nc(c1)O)O CPD-123 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4cc(c5ccccc5c4O)O)O CPD-9925 C([C@@H]([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O)O CPD0-1083 C[C@]1(CC2[C@]([C@@H](C1)O)(CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(CO)C)O)C)C)C)C)C CPD-7610 CC1[C@H](C([C@H]([C@H](O1)O)O)O)O CPD-10543 C[C@@H]1CC[C@H](C2=CC[C@H](C[C@]12C)C(=C)C)O CPD-4663 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4cccs4)O THIOPHENE-2-CARBONYL-COA CCCCCC(=O)OCC CPD-10093 c1c(ccc(c1)OC(=O)[C@H]2CCC(CC2)C[NH3+])CCC(=O)[O-] CETRAXATE COc1ccc2c(c1)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O CPD-3944 C1CCN=C(C1)C(=O)[O-] DELTA1-PIPERIDEINE-2-CARBOXYLATE c1ccc2c(c1)ccc(c2S(=O)(=O)[O-])N CPD-8814 CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)Cc3ccc(cc3)O)C)CC(C)C)O)Cc4ccc(cc4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](Cc5ccc(cc5)O)O)C CPD-10387 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCC/C=C\CCCCCCCC CPD-2188 CC(C)Nc1nc(nc(n1)O)N CPD-9368 CC1=CC[C@H]2C[C@@H]1[C@@]2(C)CCC=C(C)C CPD-8849 [C@H]1([C@H]([C@@H]([C@H](C(=O)[C@H]1O)O)O)O)NC(=[NH2+])N D-1-GUANIDINO-1-DEOXY-3-DEHYDRO-SCYLLO-I C([C@H]([C@@H]([C@H](C(=O)CO)O)O)O)O CPD-9570 c1ccc(cc1)CC2C(=O)NC(=O)N2 CPD-10020 C[C@]1(CC2[C@]([C@@H](C1)O)(CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(COC6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)C)O)C)C)C)C)C CPD-9491 c1c(nc[nH]1)CC(=O)[O-] 4-IMIDAZOLEACETATE C=CC=S CPD-9293 COc1cc(ccc1O)CC=C CPD-6481 CCCCCCCCCCCCCCCCCCCCCCCCCC=O CPD-7883 *OC(=O)/C=C/c1ccccc1 ALKYL-CINNAMATE C1CC(=O)N(C1=O)Br N-BROMOSUCCINIMIDE C(C(Cl)Cl)(Cl)Cl 1122-TETRACHLOROETHANE C[n+]1cc2c(c3c1c4cc5c(cc4cc3)OCO5)c(cc6c2OCO6)OC CPD-9893 Cc1ccc2c(c1)C(=CC[C@@H]2C)C(C)C CPD-8807 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)O)O)OC(=O)c8cc(c(c(c8)O)O)O CPD-8957 C[C@@H]1CC(=O)C[C@H]([C@]12CC[C@H](C2)C(=C)C)C=O CPD-4742 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8083 c1cc(ccc1CC2c3cc(c(cc3CC[NH2+]2)O)O)O S-NORCOCLAURINE COc1ccc2c(c1OC)CN3CCc4cc5c(cc4C3C2)OCO5 S-TETRAHYDROBERBERINE C\1=CC(=O)O/C1=C(\C(=O)[O-])/Cl CPD-10633 CCC(C(=O)CC)O CPD-1132 C/C(=C(/CC(=O)[O-])\C(=O)[O-])/C(=O)[O-] CPD-9421 C1[C@@H]2N(C1=O)C(/C(=C/CO)/O2)C(=O)[O-] CPD-9261 C[C@H](CC(=O)O[C@H](C)CC(=O)[O-])O CPD-1116 C[C@H](C[C@@H]([C@@H](C)C1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C)O)C(C)C CPD-3945 CC1=C(C(CCC1)(C)C)CCC(=O)C OXIDIZED-LATIA-LUCIFERIN C[N+](=O)[O-] CPD-8133 C(C[C@H](C(=O)[O-])[NH3+])CC([NH3+])O CPD-7689 CCC1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)[O-])/c(c(/c6c/c(n2)C1C)C(C)O)C)C CPD-9065 CC(CCC(C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O)C4CC[C@@H]5[C@@]4([C@H](CC6C5C(C[C@H]7[C@@]6(CCC(C7)O)C)O)O)C CPD-7275 CCCCCCCC[C@@H](C(CCCCCCCC(=O)[O-])O)O CPD-9002 CC(C)[C@@]12C[C@@H]1C(=C)C(=O)C2 -SABINONE c1c(=O)cc([nH]c1C(=O)[O-])C(=O)[O-] CPD0-1271 C(CCCCCCCC(=O)[O-])CCCCCCCO 16-HYDROXYPALMITATE c1cc(ccc1[C@H](C(=O)[O-])N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)OCCC(C(=O)[O-])[NH3+])[NH3+])O CPD-9415 c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@H]3[C@@H](COC(=O)c4cc(c(c(c4-c5c(cc(c(c5[O-])Oc6cc(cc(c6[O-])O)C(=O)O[C@@H]7[C@H]([C@H]8[C@@H](COC(=O)c9cc(c(c(c9-c1c(cc(c(c1O)O)O)C(=O)O8)O)O)O)O[C@H]7OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)O)C(=O)O3)O)O)O)O[C@H]([C@@H]2OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O CPD-8950 C(C(=O)[O-])NC(=[NH2+])NP(=O)([O-])[O-] GUANIDINO-ACETATE-P CC1=CCC[C@@]([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)(C)C CPD1F-115 C([C@@H](C(=O)[O-])[NH3+])NC(=O)C(=O)[O-] N3-OXALYL-L-23-DIAMINOPROPANOATE C1CC1Nc2nc(nc(n2)O)N CPD-7404 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)[O-])/C)/C RETINOATE C[C@H](CSCCS(=O)(=O)[O-])O 2-R-HYDROXYPROPYL-COM c1cc(=O)oc2c1cc(c(c2)O)O CPD-8097 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8410 c1ccc2c(c1)C(C(=O)N2)(CC(=O)NC(CC(=O)[O-])C(=O)[O-])OC3C(C(C(C(O3)CO)O)O)O 3-O-BETA-GLUCOSYL-2-OXINDOLE-3-ACETYL- c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NC[C@H]2CNc3c(c(nc(n3)N)N)N2 4-AMINO-4-DEOXY-THF CC1=C(C(CC=C1)(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)C)\C)\C)/C)/C CPD-7856 CCC[N+](=O)[O-] CPD-8127 c1cc(ccc1C(=O)[O-])NCc2cnc3c(n2)c(nc(n3)N)O PTEROATE CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C(CCCCCCCCC)O)O)O CPD-8447 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)OC)O)O FERULOYL-COA CC(CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C CPD-7257 CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H]([NH3+])c6ccccc6)O)(C)C CPD-9203 CC(C)(C)OO BUTYL-HYDROPEROXIDE c1cc(ccc1N=O)Cl CPD-9155 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8381 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 CPD-10582 c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc4)OCC[NH+]5CCCCC5)O CPD-4523 CCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10280 CC(C)([C@H](C(=O)O)N)S CPD-7702 C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-4187 c1cc2c(cc1OC3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)CC(=O)[O-])O)O)O)OC[C@@H]4[C@H]2Oc5c4cc6c(c5)OCO6 CPD-4223 c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)Oc3cc(cc4c3C=C(C(=O4)c5ccc(cc5)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O CPD-7151 C(CS)[NH3+] CPD-239 C[C@@H]1[C@H](CC[C@]2([C@H]1CC=C3C2CC[C@]4(C3CCC4[C@H](C)CCC(=C)C(C)C)C)C)O CPD-4101 COc1ccc(cc1O)c2coc3cc(cc(c3c2=O)O)[O-] CPD-3622 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8417 CCCCC/C=C\C/C=C\CCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8078 c1cc(ccc1C(=O)[O-])NCC2=Nc3c([nH]c(nc3=O)N)NC2 7-8-DIHYDROPTEROATE CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCC CPD-7765 c1ccc(cc1)C[C@@H](C(=O)[O-])NP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O CPD-485 c1c(cc(c(c1Br)[O-])Br)C#N 35-DIBROMO-4-HYDROXYBENZONITRILE Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe+3]47n2c(c1CCC(=O)C)cc8[n+]7c(c6)C(=C8CCC(=O)C)C)C)C=C)C(=C3C=C)C CPD-10494 CCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC CPD-10528 c1cc2c(cc1O)c(c[nH]2)CC=O 5-HYDROXYINDOLE_ACETALDEHYDE C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CCC([C@@]5(CO)C)OC6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)C)C)C)(CC1)C(=O)[O-])C CPD-9484 C1=NC2C(=C(N1)N)N=CN2[C@H]3C(=O)[C@@H]([C@H](O3)CO)O 9-RIBURONOSYLADENINE C[C@@H]1CCCC2=CC[C@H](C[C@@]12C)C(=C)C ARISTOLOCHENE C(CC(=O)[O-])C(=O)N CPD-8979 C[C@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)[O-])OC2=O CPD1F-140 CC(=O)N1c2ccccc2C(=O)C1=O N-ACETYLISATIN C/C=C/c1ccc(c(c1)OC)O ISOEUGENOL c1ccc(cc1)COC(=O)NCC(=O)[O-] CPD-214 c1ccc(cc1)P(=O)([O-])[O-] CPD0-1078 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O LINOLENOYL-COA c1c([nH]cn1)CC(C(=O)[O-])NC(=O)CC[NH3+] CARNOSINE CC(C)CCCC(C)CCCC(C)CCC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C PHYTYL-PYROPHOSPHATE C(Cl)(Cl)(Cl)Cl CPD-842 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC CPD-8305 c1ccc2c(c1)CC[NH+]3[C@H]2Cc4ccccc4C3 S-781314-TETRAHYDROPROTOBERBERINE C1C(=O)[C@@H]([C@H]([C@@H]([C@@]1(CO)O)O)O)O CPD-9664 CC1=CC[C@@H]2C[C@H]1C2(C)C CPD-8754 C/C=C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O SORBYL-COA c1ccc(cc1)C(=O)C(=O)[O-] PHENYLGLYOXYLATE C(=S)=S CPD-844 F[Al](F)F CPD0-1229 [H][C@@H]1C[C@H]2C(CCC3=CC(=O)CC[C@]23C)[C@H]4[C@]1(C(=O)CC4)C ANDROST4ENE c1ccc2c(c1)c(=O)c(c[nH]2)[O-] 3-HYDROXY-1H-QUINOLIN-4-ONE C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C CPD-7193 C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C CPD-286 CP(=O)(O)[O-] CPD0-1068 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7813 C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4CCO)C PREGNAN-21-OL C=C1CC1C(C(=O)C(=O)[O-])C(=O)[O-] CPD-9738 C[C@]1(C2[C@@]([C@@H]3C(=CC2)C[C@](CC3)(C=C)C)(CCC1)C)C CPD-8699 C(CCl)P(=O)(O)[O-] CPD-6941 C/C=C\1/CN2[C@H]3Cc4c5ccccc5[nH]c4[C@@H]2C[C@H]1C3CO 10-DEOXYSARPAGINE CCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCCC(=O)C CPD-8497 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC CPD-7798 CC(=CCc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)O)OC)C CPD-7121 CCC(C)C(=O)[O-] CPD-7076 *[C@H](C(=O)O)NC(=O)C N-ACETYL-D-AMINO-ACID CCCCS(=O)(=O)[O-] CPD-3744 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C[C@H](C(=O)[O-])O)O CPD-9449 CC(=O)N(CCCC[C@@H](C(=O)[O-])NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)[O-])(C(=O)[O-])O)O AEROBACTIN CCOC(=O)C ETHYLACETATE CC1=CC(=O)CC(C1(/C=C/C(C)O)O)(C)C --6-HYDROXY-3-OXO-ALPHA-IONOL C[C@H](c1ccccc1)O CPD-10595 c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] 246-TRINITROBENZENE CCc1c(c([nH]c1Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N4)CC5C(=C(C(=O)N5)C=C)C)C)CCC(=O)[O-])/[C-](C3=O)C(=O)OC)C)C=O)C CPD-7064 *[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OC2C(C(C(C(O2)CO)O)O)O)O)O CPD-8586 C/C(=C/C(=O)[O-])/C=C/[C@]1([C@@]2(CC(=O)CC1(CO2)C)C)O CPD-7725 CCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCC/C=C\CCCCCCCCC)O CPD-9816 CC1=CC[C@@H](CC1=O)C(=C)C CPD-10037 CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C=O)O)C)C CPD-8612 C[S+](C)CCC(C(=O)[O-])O CPD-10470 c1ccc(cc1)CC(CO)[NH3+] CPD0-1428 c1ccc(c(c1)CO)O CPD-173 CSCCCO CPD-7037 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O CPD1G-1345 CCCCCCCCCCCCCCC(C(=O)OC[C@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)COC(=O)C(C(O)CCCCCCC/C=C/CCCCCC)CCCCCCCCCCCCCC)C(O)CCCCCCC/C=C/CCCCCC ALPHAALPHA-TREHALOSE-66-BISMYCOLATE CC=C PROPENE C/C=C/SO CPD-9304 c1ccc(cc1)C(=O)Nc2ccccc2C(=O)[O-] CPD-423 c1cc(c(cc1Cl)O)C(=O)[O-] CPD-10576 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCCCC(=O)[O-])O CPD-558 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)O)C)O4)C CPD-8895 COc1c(cc(c2c1oc(c(c2=O)[O-])c3ccc(c(c3)O)O)O)O 33457-PENTAHYDROXY-8-METHOXYFLAVON C[C@H](CCC[C@@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C CPD-71 Cc1cc2c(c(c1)O)c(c(c(c2C(C)C)O)O)C=O CPD-9525 C(CCCCCCCCCCC(=O)[O-])CCCCCCCCCCO CPD-7838 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C=O)/C)/C)/C=C/C=C(/C=C/C=O)\C CPD-7968 c1cc2ccc(nc2c(c1)O)O QUINOLIN-28-DIOL C(C(C(=O)[O-])O)(C(=O)C(=O)[O-])C(=O)[O-] CPD-628 c1cc2c(cc1O)OC(C(=O)N2[O-])O CPD-6367 C([C@@H]([C@@H](C=O)O)O)C(=O)C(=O)[O-] 4S5S-45-DIHYDROXY-26-DIOXOHEXANOATE c1cc2c(cc1O)OC[C@@]3([C@H]2Oc4c3ccc(c4)O)O 6AS11AS-36A9-TRIHYDROXYPTEROCARPAN C[C@]1(OC2[C@]3([C@H]1CC(=O)[C@@]4(C3CC[C@]([C@@]45O[C@@H]5C(=O)[O-])([C@@H](O[C@@H]6O[C@@H](C([C@@H](C6O)O)O)CO)c7cocc7)C)C)COC(=O)C2)C GLUCOSYL-LIMONIN [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 CPD-6745 C1CNC(=C1)C(=O)[O-] DELTA1-PYRROLINE_2-CARBOXYLATE Cc1cc(c(cc1[N+](C)(C)C)C(C)C)OC(=O)N2CCCCC2 CPD-6967 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)([O-])[O-])[NH3+])O)O)OP(=O)([O-])[O-] CPD0-1096 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](/C=N\[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CCC(=O)N)Cc3ccc(cc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n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC=C)O CPD-226 C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc5c[nH]c6c5cccc6)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc7c[nH]c8c7cccc8)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O CPD-10415 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)[O-])[NH3+])C(=O)[O-])C ISOPENICILLIN-N CC(C)(C)C(C(CCCOc1ccccc1)n2cncn2)O CPD-4024 CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7791 C=CCSSCC(=O)N CPD-9294 C(CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+])C[NH3+] GAMMA-GLUTAMYL-PUTRESCINE CC(C)(CCc1c(cc(c2c1OCC(C2=O)c3ccc(cc3O)O)O)O)O CPD-34 C/C(=C\C=O)/CC/C=C(\C)/CO CPD-9976 C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]([NH+]2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)C)C)C CPD-9215 COc1ccc(c(c1)OC)[C@@H]2COc3cc(cc(c3C2=O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4570 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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/COP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@H](CO1)NC=O)O)O CPD0-888 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)CO)O)O)O)O)O)OC7(CC(C(C(O7)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]8[C@H]([C@@H]([C@H]([C@H](O8)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-935 CC1=C2[C@@]([C@H]([C@H]([C@H]3[C@](C[C@@H]2OC(=O)C)(CC[C@@H](C3=C)OC(=O)C)C)OC(=O)C)[C@H](C1)OC(=O)C)(C)C TAXUYUNNANIN-C C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@@]5(CO)C)O)C)C)C)(CC1)C(=O)[O-])C CPD-9481 CNc1ccccc1 N-METHYLANILINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(ccc1O)C(=O)[O-])/C)/C)/C)/C)/C)/C)C CPD-9852 Cc1/c2c(c(c/3n2[Co]n\4/c(c\c5n/c(c3)/C(=C5CC(=O)[O-])CCC(=O)[O-])/C([C@](/c4c/c6n\c1\[C@@](C6CCC(=O)[O-])(C)CC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] COBALT-FACTOR-III CCCCCC(=O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] 15-OXO-5811-CIS-13-TRANS-ICOSATETRAENO CC1=C(C(=O)c2ccccc2C1=O)CCC(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)/CC/C=C(\C)/CCC=C(C)C CPD-9849 C(CC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)[O-])[NH3+])CCO 20-HYDROXY-LEUKOTRIENE-E4 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O 1-PALMITOYLGLYCEROL-3-PHOSPHATE CCOCC DIETHYLETHER C/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-1083 CC(C(=O)NC(C)C(=O)[O-])NC(=O)[C@H](CCP(=O)(C)[O-])[NH3+] CPD-10013 C/C=C\1/CC([C@@](C(=O)OCC2=CCN3C2[C@@H](CC3)OC1=O)(C)O)C CPD-8986 CCc\1c(c2/cc\3/c(c(c(n3)/cc/4\nc(c5c6c(=C(C5C(=O)OC)[O-])c(c([nH]6)/cc1\n2)C)C(C4C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C=O)C CPD-10335 C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)O)(C)C(=O)[O-] CPD-5001 CC(=CCCC(=C)C1[C@@H]2[C@]([C@]3([C@@H]([C@@]4([C@H]([C@@](CCC4)(C)C)CC3)C)CC2)C)(CC1)C)C CPD-10642 COc1cc(c(cc1OC)O)c2coc3cc(ccc3c2=O)O CPD-9531 CC/C=C\C/C=C\CCC/C=C/C=C/C=C\CCCC(=O)[O-] 5Z7E9E14Z17Z-EICOSAPENTAENOATE CCCCCCC[C@@H]([C@@H](C(=O)N(C)[C@@H](CCS(=O)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)O)O)N CPD-10380 CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)c3c(cccc3OC)OC)C(=O)[O-])C CPD-9220 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4=O)O 6-OXOCYCLOHEX-1-ENE-1-CARBONYL-COA COc1ccc(c(c1)NC(=O)c2ccccc2)C(=O)[O-] N-BENZOYL-4-METHOXYANTHRANILATE C=C(C[C@@H](C(=O)[O-])[NH3+])C(=O)N CPD-74 C[C@@H]1C2C(C[C@H](O1)CC(=O)[O-])C(=O)c3ccc(c(c3C2=O)O)c4ccc5c(c4O)C(=O)C6=C(C5=O)C[C@H](O[C@@H]6C)CC(=O)[O-] CPD1A0-6119 CC(CC/C=C(\C)/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5C(C[C@H]7[C@@]6(CCC(C7)O)C)O)C CPD-10589 CCN(CC)C(=O)/C(=C\c1cc(c(c(c1)O)O)[N+](=O)[O-])/C#C CPD-7662 CC(=CCC/C(=C\CC/C(=C\CO)/C)/C)C CPD-9101 C/C(=C\C=C(\C(=O)[O-])/O)/C(=O)CC[C@H]1[C@@H]2CCC(=O)[C@]2(CCC1=O)C 3-HYDROXY-5917-TRIOXO-45910-DISECOA Cc1c(cc(c(c1C/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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)OC)O CPD-9871 C[n+]1cc2c(ccc3c2OCO3)c4c1c5cc6c(cc5cc4)OCO6 SANGUINARINE C([C@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)OP(=O)([O-])[O-] L-TAGATOSE-6-PHOSPHATE C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C DEOXYCHOLATE CC(=CCc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3O)O)O)[O-])C CPD-9442 Cc1/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc(/c1CCC(=O)[O-])\[nH]2)C(=C5CCC(=O)[O-])C)C)CCC(=O)[O-])/C(=C3C)CCC(=O)[O-] COPROPORPHYRIN_III CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H]2C(=O)C=C3C([C@]2(C[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)[C@@H](CCC(C)(C)O)O)O)C CPD-429 c1cc(ccc1/C=C/c2cc(cc3c2C(C(O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O)O CPD-6960 C(C(=O)C(=O)[O-])F CPD0-1353 C(C1[C@@H](C([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)OC(COP(=O)(O)OC(C(COP(=O)(O)OC(C(CO)O)O)O)O)O)O ALPHA-D-GLUCOSYLPOLYGLYCEROL-PHOSPHATE C=C[C@H]1CN2CCC1C[C@@H]2C(=O)c3ccnc4c3cccc4 CPD-9826 c1cc(cnc1)S(=O)(=O)[O-] 3-PYRIDINESULFONIC-ACID C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)NC(=O)CI)O)O)O CPD0-1235 C(C(C(C(C(C(=O)COP(=O)([O-])[O-])O)O)O)O)OP(=O)([O-])[O-] D-SEDOHEPTULOSE-1-7-P2 C[C@H]([C@H](C(=O)[O-])[NH3+])O CPD-10303 C([C@@H]([C@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O CPD-496 CCCCCCCCCCCCCCCCCC=O CPD-55 CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD-803 *C(=O)[C@H](CC[C@@H](CN)OC1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OC2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)N* 12-D-GLUCOSYL-5-D-GALACTOSYLOXY-L-LYS COc1cc(ccc1O)C[C@H]2COC(=O)[C@@H]2Cc3ccc(c(c3)OC)O CPD-8912 c1ccc2c(c1)CCC2=O 1-INDANONE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)O)O)O)O CPD-3609 *[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OC2C(C(CC(C2OC3C(C(C(CO3)(C)O)NC)O)N)N)OC4C(CCC(O4)C(C)NC)N)O)O 2-NUCLEOTIDYLGENTAMICIN CC(C(=O)C)C(=O)OCc1ccccc1 BENZYL-2-METHYL-3-OXOBUTANOATE CCCCCCCC/C=C\CCCCCCCC(=O)N CPD6666-1 C=CC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 2-PROPENYL-GLUCOSINOLATE c1ccc(c(c1)C=O)C(=O)[O-] CPD-1131 COC(=O)CN CPD-9383 CC(C(=O)[O-])(O)P(=O)(C)C CPD0-1220 CC(=C)C1CCC(=CC1)C=O CPD-1084 CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]3[C@]4([C@H]2CCC5=CC(=O)CC[C@@]54C)O3)C 911-ALPHA-EPOXYPREGN-4-ENE-320-DIONE [H]/N=c/1\ccc-2nc3c(cccc3n(c2c1)C)C(=O)[O-] CPD-10379 c1ccc2c(c1)[nH]cn2 BENZIMIDAZOLE C1C(=O)NC(S1)CCCCCC(=O)[O-] CPD-5683 C(CC(=O)[O-])C(C(CC(=O)[O-])C(=O)[O-])C(=O)[O-] CPD-7639 c1cc(ccc1C(=O)[O-])[N+](=O)[O-] CPD-704 CC(=C)[C@H]1CC[C@@]2([C@H](C1)O2)C CPD-10142 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O CPD-7887 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)S(=O)(=O)[O-] CPD-10247 C[C@@H]1CC[C@@H](C(=O)C1)C(=C)C CPD-4941 CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)[C@H](C6=O)C(=O)OC)C)C)C=C)C CPD-7005 C/C(=C\C(=O)[O-])/C(=O)[O-] 2-METHYLMALEATE CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/C/C=C/CCC(=O)[O-] CPD-10244 C1C(C2C(C(=O)N1)NC(=[NH+][C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)CC(CCC[NH3+])[NH3+])N2)O CPD-9011 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC CPD-7827 C1[C@@H]([C@H](CSS1)O)O OXIDIZED-DITHIOTHREITOL COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)OCO5 BERBERINE C[C@H]1[C@H](O1)P(=O)(O)[O-] CPD0-1113 CC(=O)Nc1ccc(cc1)O CPD-7669 CCCCCCCCCCCCCCCC/C=C/CCC CPD-7905 C(O)[C@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)O[C@H]2[C@H]([C@@H]([C@@H]([C@H]([C@@H]2O)O)O)O)O CPD-8253 CC(C)[C@@H]1CCC(=C)C=C1 CPD-8769 Cc1c2/cc\3/c(c(/c(/[nH]3)c/c4n/c(c\c5n/c(c\c(c1C(C)O)[nH]2)/C(=C5CCC(=O)[O-])C)/C(=C4C)CCC(=O)[O-])C)C(C)O HAEMATOPORPHYRIN-IX c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)[O-] N-23-DIHYDROXYBENZOYL-L-SERINE CC(C)C(C)/C=C/C(C)C1CCC\2C1(CCC/C2=C\C=C/3\CC(CCC3=C)O)C VITAMIN_D2 CCC(=O)OC(=O)CC PROPIONIC-ANHYDRIDE CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8309 C([C@@H](C(=O)[O-])[NH3+])/C(=C/C=C(\C(=O)[O-])/O)/C=O CPD-252 CC(=O)CC(=O)Oc1ccccc1 CPD-8881 C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCC(C(=O)O)N)C(=O)NC(CCC[C@@H](C(=O)N[C@H](C)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](C)N)C(=O)O)N CPD0-1185 CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O K-HEXANOYL-COA CC1=CCC2(CC1C3(C2(CCC3)C)C)C CPD-8235 *C(=O)N[C@@H](CO[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[C@]3(C[C@@H]([C@H]([C@@H](O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O CPD-442 CC(=O)[C@H]1CCC2[C@@]1(CCC3[C@H]2CCC4=CC(=O)CC[C@]34C)C PROGESTERONE CC(=O)N[C@@H]1[C@@H]([C@H](O[C@@H]([C@H]1O)C(=O)[O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C CPD-10314 c1ccc2c(c1)c(c[nH]2)C(=O)CO INDOLE-3-KETOL 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[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@@H]4C[C@@H]([C@H]([C@H]([C@H]4OC)O)O)C MACROCIN c1cc(ccc1c2ccc3c(cc(cc3[o+]2)O)O)O CPD-7096 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCC=C(C)C CPD-9730 C[C@@H](c1ccccc1)O S-1-PHENYLETHANOL CC1(C=Cc2c(cc(c(c2O)C(=O)/C=C/c3ccc(cc3)O)OC)O1)C CPD-7128 CC(C)CCC([C@](C)(C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O)O 20A-20B-DIHYDROXY-CHOLESTEROL CC[NH2+]CC DIETHYLAMINE c1cc(c(c(c1)F)O)O CPD-10613 Cn1cnc2c(c1=N)ncn2C3C(C(C(O3)CO)O)O 1-METHYLADENOSINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9453 C(C(=O)[O-])N(C=O)O N-FORMYL-N-HYDROXY-AMINOACETATE c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)[O-])N CPD-3707 c1ccc2c(c1)C(=O)c3ccccc3C2=O CPD-10180 C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)OC6[C@H]([C@H]([C@@H](C(O6)CO)O)O)O)C)C)(C)C(=O)[O-])O CPD-9475 CC1=[NH2]C=C(C(=C1[O-])C=[NH2+])COP(=O)(=O)O CPD-9266 CC(C)NC(=O)CC[C@@H](C(=O)[O-])[NH3+] CPD-9372 c1cc(cnc1)C2CCC(=O)O2 CPD-3195 C(C[NH3+])C[NH2+]CCC[NH3+] NORSPERMIDINE C[C@H](CCC(=O)NCC(=O)[O-])[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 GLYCOLITHOCHOLATE c1cc(ccc1CCNC(=O)/C=C/c2ccc(cc2)O)O CPD-8943 C(C1[C@@H]2C(C([C@H](O1)O[C@@H]3C(O[C@@H](C(C3O)O)O[C@@H]4C(O[C@@H](C(C4O)O)O[C@@H]5C(O[C@@H](C(C5O)O)O[C@@H]6C(O[C@@H](C(C6O)O)O[C@@H]7C(O[C@H](O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O CPD-3782 CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C\C=C(/C)\CCC=C(C)C)\C)/C)/C)C CPD-7524 CCCCCC(/C=C/C1=CCC(=O)C1CCCCCCC(=O)[O-])O CPD-1912 C(C[NH2+]CC(=O)[O-])C(=O)[O-] CPD-9405 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])O CPD-3711 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8093 C[N@]1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)c3ccccc3O)C(=O)[O-] CPD-9992 c1cc(cc(c1)O)NO 3-HYDROXYAMINOPHENOL CC1=C[C@H]2[C@@H](CC1)C(=CC[C@H]2C(C)C)C CPD-8797 C[C@@H]1C(=O)[C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O)O CPD-658 CC(CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4621 CC1=CC(=O)C(C1(C)C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O CPD-867 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8339 [O-]S(=O)S(=O)(=O)[O-] CPD-7987 C[C@@H]1[C@@H]2C(N(C=[N+]2c3c([nH]c(nc3=O)N)N1)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](COC5[C@@H]([C@@H](C(O5)COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O)C CPD-11 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCC(=O)[O-])O 6-CARBOXYHEX-2-ENOYL-COA [F-].[Na+] NaF C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(COP(=O)([O-])[O-])C(=O)[O-])O)O)O)O ALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE c1ccc(cc1)C(C(=O)c2ccccc2)O CPD-647 c1cc(cc2c1ccc(=O)o2)O CPD-8186 C1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O CPD-1825 C=Cc1ccccc1 CPD-1092 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8265 c1c(cc(c(c1O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3c(cc4c(cc(cc4[o+]3)O)[O-])OC5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)CC(=O)[O-])O)O)O CPD-7863 C[C@H]1[C@@H]2CC[C@]3(C=CC(=C(C3[C@H]2OC1=O)C)O)C 12-DIHYDROSANTONIN CC(C)[C@@H](C(=O)[O-])NO CPD-4862 C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=N4[Ni+]67N3=C([C@H]2CCC(=O)[O-])C=C8N6C(=CC9=N7C(C5)[C@H](C9CCC(=O)[O-])CC(=O)[O-])[C@H]([C@@H]8CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)N)CCC(=O)[O-] CPD-7592 C/C=C\1/CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1C(C=O)C(=O)OC GEISSOSCHIZINE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=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)OS(=O)(=O)O N-SULFOHEPARITIN CCCCCCCC/C=C\CC(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD0-1163 CCCCCC#CC/C=C\CCCCCCCC(=O)[O-] CREPENYNATE c1ccc2c(c1)C(C(=O)N2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)NC(CC(=O)[O-])C(=O)[O-] CPD-9602 C([C@@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)O CPD0-1115 [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 CPD-6743 CCCCCCCCCCCCCCC/C=C/CCCCCCCC CPD-7932 c1ccc(cc1)[C@@H]2CC(=O)c3ccccc3O2 CPD-2043 Cc1c2/cc/3\nc(c4c5c(c(c6/n5[Mg]n2c(c1C=C)/cc/7\nc(\c6)C(=C7C)C=C)C)C(=O)[C@@H]4C(=O)OC)[C@H]([C@@H]3C)CCC(=O)O DIVINYLCHLOROPHYLLIDE-A CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8329 COC(=O)[C@H](Cc1ccc(cc1)O)N L-TYROSINE-METHYL-ESTER CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)OC4[C@H]([C@H]([C@@H](C(O4)[C@H](CO)O)O)O)O)OC5(CC(C(C(O5)C(CO)O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O HEPTOSYL-KDO2-LIPID-IVA c1c2c(cc(c1O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/[N+](=C/C=C/4\C[C@H](NC(=C4)C(=O)[O-])C(=O)[O-])/[C@@H](C2)C(=O)[O-] CPD-8655 c1c(cc(c(c1O)O)O)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] MYRICETIN COc1cc(cc(c1O)OC)/C=C/C(=O)OC(=O)[C@@H]2[C@H]([C@@H]([C@H](C(=O)O2)O)O)O O-SINAPOYLGLUCAROLACTONE CCSC(=O)N(CC(C)C)CC(C)C N-BUTYLATE C(C(=O)[O-])NC(=O)N N-CARBAMOYLGLYCINE C(=C(Cl)Cl)Cl TRICHLOROETHENE [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 INOSITOL-1456-TETRAKISPHOSPHATE 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(=O)CCC2(C)C)C)/C)/C CPD-7850 Cn1c[n+](c2c1c(=O)[nH]c(=O)[n-]2)C3C(C(C(O3)CO)O)O 7-METHYLXANTHOSINE C=CC(=O)N ACRYLAMIDE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)O)/C)/C)/C)/C)/C)/C)C CPD-9858 C(C(C(C(COP(=O)(O)OC(C(C(C(COP(=O)(O)OC(C(C(C(COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O)O)O POLYRIBITOL-PHOSPHATE c1cc(c(cc1N=C=S)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])N=C=S CPD-8783 CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C CPD-8503 c1cc(c(cc1O)C(=O)[O-])O CPD-633 c1c(c(=O)[nH]c(=O)[nH]1)CO CPD-254 C(C(CO)(C(=O)[O-])[NH3+])O OH-CH3-SER CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O CPD-3565 CN(C)C1c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)[NH3+])O)[NH+]=CN1 CPD-10128 C/C(=C/C(=O)[O-])/C=C\C(=O)[O-] CPD-10656 c1cc(ccc1CCNC(=O)CC[C@@H](C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])OCc2cc(oc2)C[NH3+] CPD-7628 c1cc(cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-] CPD-10428 Cc1ccccc1C(=O)[O-] CPD-10574 C/C/1=C/CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/C CPD-9410 CC(CCC(=O)[O-])C1CCC2[C@@]1(CCC3[C@H]2CC[C@H]4[C@@]3(CCC(C4)O)C)C CPD-7235 c1c(c(=O)[nH]c(=O)[n@@]1C2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O)F CPD-6061 CCCC(=O)OP(=O)([O-])OCC1[C@H]([C@H](C(O1)[n@@]2cnc3c2ncnc3N)O)O CPD-9430 CCCCC[C@@H](/C=C\C=C\CCCCCCCC(=O)[O-])OO 13-HYDROPEROXYOCTADECA-911-DIENOATE C[NH+]1CC(C(C1)O)CC(=O)CC(=O)OC CPD-9774 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)C CPD-9899 CCNc1nc(nc(n1)S(=O)C)NC(C)C CPD-9345 C([C@H](CO)O)C(C(CO)O)O CPD-8882 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4608 CCCCC CPD-9285 C1[C@H](C[NH2+][C@H]1C(=O)[O-])O CIS-4-HYDROXY-D-PROLINE Cc1c(c(c(cn1)C(=O)[O-])CO)O 3-HYDROXY-ETCETERA-CARBOXYLATE Cn1cc(nc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c1cc(sc1)CC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/c4ccc(cc4[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-] CPD-9234 C/C(=N\O)/C(=O)[O-] CPD-3344 CC(=CCC/C(=C/Cc1cc(ccc1O)C(=O)[O-])/C)C CPD-9318 CO[C@@H]1[C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)O)O)O)O 5-O-METHYL-MYO-INOSITOL c1([nH]c(=O)[n-]c(=O)n1)C(=O)[O-] 5-AZAOROTATE CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2O)C)O)OC(=O)C)O)(C[C@@H]1O)O)(C)C 10-DEACETYL-2-DEBENZOYLBACCATIN-III CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O LINAMARIN c1c(cc2c(c1O)c(=O)c3cc(c(cc3o2)O)O)[O-] CPD-6884 CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1 CPD-1946 C[C@@H]1[C@](C[C@H]([C@@H](O1)O)O)([C@H](C)O)O CPD-9398 C[C@@H]1CC[C@H](CC1=O)C(=C)C CPD-10039 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O)O CPD-6021 CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8380 COc1cc2c(c3c1c4c(c(=O)o3)C(=O)OCC4)C5C=COC5O2 CPD-10178 COc1cc(cc(c1O)OC)/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O 1-O-SINAPOYL-BETA-D-GLUCOSE C[C@@H]([C@H](c1ccccc1)O)NC CPD-9954 c1ccc(cc1)Cc2ccncc2 CPD-9082 c1cc(ccc1/C=C/C(=O)O[C@H](Cc2ccc(c(c2)O)O)C(=O)[O-])O CPD-6978 C(C(CO)O[N+](=O)[O-])O CPD-146 *OC[C@H](COP(=O)([O-])OCCN)O ALKYL-SN-GLYCERO-PHOSPHOETHANOLAMINE COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O SECOLOGANIN-CPD C1C2C(C(C(C(O1)(O2)CO)O)O)O CPD-3614 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCC/C=C\C/C=C\CCCCC CPD-8077 CS(=O)(=O)[N-]c1cccc2c1nccc2 N-QUINOLIN-8-YLMETHANESULFONAMI CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COP(=O)([O-])OC1C(C(C(C(C1O)O)OC2C(C(C(C(O2)CO)OP(=O)([O-])OC3C(C(C(C(C3O)O)O)O)O)O)O)O)O)C(C(CCCCCCCCCCCCCC)O)O)O MIP2C C[N+](C)(C)CC(=O)CC(=O)[O-] 3-DE-H-CARNITINE CCCCCCCCCCCCC/C=C/C=O CPD-292 c1c(c(=O)[nH]c(=O)[nH]1)C(=O)[O-] CPD-629 C(C(C(C(=O)[O-])[NH3+])O)OP(=O)([O-])[O-] CPD0-1427 C[C@H]([C@@H](C(=O)O)N)OP(=O)(=O)O L-THREONINE-O-3-PHOSPHATE C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])[NH3+] C7 CC1([C@@H]2CCC(=C)[C@H]1C2)C CPD-8755 C[C@@]12CCCC([C@H]1CC[C@@H]3C2=CC[C@](C3)(C)C=C)(C)C CPD-9919 c1ccc(cc1)C(C(=O)O)NC(=O)N CPD-8524 C1=C(C(=O)O[C@H]1CC(=O)[O-])Cl CPD-10639 C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])C(=O)[O-])C(=O)[O-] CPD1F-84 CC(CC=O)(CC(=O)[O-])O MEVALDATE C(=O)(C(=O)[O-])C(=O)[O-] OXOMALONATE CC(=O)NCCC=O CPD-10687 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8340 CC1=C/C(=C\C(=O)[O-])/OC1=O CPD-10651 COc1ccc2c(c1OC)CN3CCc4cc(c(cc4[C@@H]3C2)O)OC S-TETRAHYDROCOLUMBAMINE C[NH+]1CCCC1c2ccc(nc2)O CPD-125 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCCO)O 5-HYDROXYPENTANOYL-COA CC(=CCO)C PRENOL C(CC[NH2+]C[C@@H](CC[NH3+])O)C[C@@H](C(=O)[O-])[NH3+] CPD-9974 [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)NC(=[NH2+])N CPD-7167 C[C@@H]1CCC([C@H]2[C@]13C2C(=CC3)C)C(C)C CPD-8739 *[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])[O-])OP(=O)([O-])OP(=O)([O-])[O-])O 5-PHOSPHONUCLEOSIDE-3-DIPHOSPHATE CCCCCCCCCCCCCCCCCCO CPD-7873 C([C@@H]1[C@H]([C@H]([C@@H](O1)O)O)O)O CPD0-1108 c1cc(c(cc1Cl)N)O CPD-9131 CCCCC/C=C/C/C=C/CCCCCCCCCCCCCCCCCC=O CPD-8465 C[C@]12CC[C@H](C1(C)C)CC2=O --CAMPHOR C[N@@H+]1CC[C@]23c4c5ccc(c4OC2C(=CC=C3[C@H]1C5)OC)OC CPD-7710 CC(=CCCC1=CC(=O)c2c(ccc(c2C1=O)O)O)C CPD-9321 CC(C1CSC([NH2+]1)C2CSC(=N2)c3ccccc3O)C(C)(C)C4=NC(CS4)(C)C(=O)[O-] CPD-9991 COc1ccc2c(c1)OC(C(=O)N2[O-])O CPD-6366 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8387 c1ccc(cc1)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O R-VICIANIN CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1)C)C(=O)[O-])C CPD-8482 C1C(C(C(S1)CCCCC(=O)[O-])[NH3+])N CPD0-1057 C(CBr)Br 12-DIBROMOETHANE CC1=CC2C(CC1)C(=C)CCCC2(C)C CPD-8732 C[C@@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)[O-])COC2=O CPD-638 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]2C([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)\C)CO[C@@H]4C[C@@H]([C@H]([C@H]([C@H]4OC)OC)O)C TYLOSIN COc1cc2c(c3c1c4c(c(=O)o3)C(=O)CC4)[C@H]5C=CO[C@H]5O2 CPD-4592 C[NH+]1C2CCC1CC(=O)C2 TROPINONE CN1Cc2c(ccc3c2OCO3)-c4c1c5cc6c(cc5cc4)OCO6 DIHYDROSANGUINARINE C/C=C/c1ccc(cc1)O CPD-9933 c1ccc2c(c1)c3c(s2)C=C[C@@H]([C@@H]3O)O CIS-12-DIHYDROXY-12-DIHYDRODIBENZOTHIO C(C=O)[C@H]([C@@H]([C@@H](COP(O)(O)O)O)O)O 2-DEOXYGLUCOSE-6-PHOSPHATE c1cc(c(cc1CC[NH3+])OS(=O)(=O)[O-])O CPD-7649 C[N+](C)(C)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O CPD0-1304 CC(=C1CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)CO)C)C CPD-8709 C([C@H]([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O)O D-GALACTONO-1-4-LACTONE C1=CC2C(=O)S[Cu]3(N2C(=C1)C(=O)S3)Cl CPD-8208 COc1cc(cc(c1O)O)/C=C/CO 5-HYDROXY-CONIFERYL-ALCOHOL C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4CC=O)C PREGNAN-21-AL CC(C(=O)[O-])NC(=O)N 2-UREIDO-PROPIONATE C[C@@H]1CCC(=C(C)C)C(=O)C1 CPD-4942 C/C(=C\CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)/CO CPD-4204 C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)C(=O)[O-] 4-OXALOMESACONATE Cc1ccc(cc1)C(=O)[O-] 4-TOLUENECARBOXYLATE C1=CC(N2C(=C1)C(=O)S[Cu]2(Cl)Cl)C(=O)[SH-]C(Cl)(Cl)Cl CPD-8210 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7772 c1\c2n/c(/c(c2CC(=O)[O-])CCC(=O)[O-])c\c3n/c(/c(c3CC(=O)[O-])CCC(=O)[O-])c\c4n/c(/c(c4CC(=O)[O-])CCC(=O)[O-])c\c5n/c1/c(c5CC(=O)[O-])CCC(=O)[O-] UROPORPHYRIN_I CC[C@H]1[C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)/C=C/C)C)O[C@H]3C[C@H]([C@@H]([C@H](O3)C)OC(=O)N)O)O)O)OC)/C)C)O CPD-10323 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)C)C)OP(=O)([O-])[O-])[NH+](C)C OLEANDOMYCIN-2-O-PHOSPHATE CC(CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOc1ccc2c(c1)nc3ccccc3n2 CPD-7323 Cc1c(c2c(cn1)COC2=O)O CPD-375 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)[O-])O)O)O)O CPD-361 CCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C\CCCCCCCCC)O)O CPD-9801 C=CCSS(=O)CC=C CPD-9275 S1[Fe@@]2[S@H]([Fe]1)[Fe]S2 CPD-23 C[C@@H]1CC[C@H]2[C@H](C1)C=C[C@@H]([C@@H]2CC[C@@H]3C[C@H](CC(=O)O3)O)C DIHYDROMONACOLIN-L CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)OO)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8166 C[C@H](CC[C@H](CC(=O)[O-])C(=C)C)O CPD-10047 c1cc2c(cc1O)occ(c2=O)c3cc4c(cc3O)OCO4 CPD-3629 C=C1CC(=O)OC1=O ITACONIC-ANHYDRIDE COc1cc(cc(c1O)OC)/C=C/C=O SINAPALDEHYDE CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8334 CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7781 CC[C@H]1[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)N3[C@@H]1O)c6ccccc6N4 CPD-4241 COc1cc2c(cc1OC3C(C(C(C(O3)COC4C(C(CO4)(O)OC)O)O)O)O)OCC(C2=O)c5cc6c(cc5OC)OCO6 CPD-9693 C([C@@H](C(=O)O)N)N L-23-DIAMINOPROPANOATE CC(=CCc1c(cc2c(c1O)C(=O)CC(O2)c3ccc(cc3)O)[O-])C CPD-7135 C[C@@H](CCC=C(C)C)CCO CPD-7980 C[C@H](CC=O)O CPD-8445 CC[C@H]1[C@@H]2CC3[C@H]4[C@@]5(C[C@@H](C2C5OC(=O)C)[NH+]3C1O)c6ccccc6N4C CPD-8898 N(=O)O[O-] CPD0-1395 C=C(C(=O)[O-])N 2-AMINOACRYLATE c1ccc2c(c1)ccc3c2c(c(cc3)O)O PHENANTHRENE-34-DIOL C(C(C(=O)N)[NH3+])O CPD0-1377 C(CCl)[NH3+] 2-CHLOROETHYLAMINE CCCC/C=C\C=C\C=C/CCCCCCCC(=O)[O-] CPD-8229 CC1([C@H]2CCC(=C)[C@@H]1C2)C CPD-4891 CC(=O)N[C@@H]1C(C[C@](OC1[C@H](C(COC(=O)C)O)O)(C(=O)[O-])O)O N-ACETYL-9-O-ACETYLNEURAMINATE CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OCC2C(C(C(C(O2)OP(=O)([O-])OC/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)O)O)O CPD1G-106 C[C@@H]1[C@H](CC[C@]2(C1CC=C3C2CC[C@]4(C3CCC4[C@H](C)CCCC(C)C)C)C)O CPD-4185 CC1=C[C@@H]2[C@H](CCC(=C2CC1)C)C(C)C CPD-1722 C[C@@H](c1c[nH]c2c1cccc2)C(=O)C(=O)[O-] CPD-398 C/C(=C/C=C(\C(=O)[O-])/O)/C=O CPD-9163 COc1ccc(cc1O)c2c(c(=O)c3c(cc(cc3o2)OC)O)OC CPD-10510 c1ccc2c(c1)[nH]c-3cc(=O)ccc3n2 CPD-9546 c1c-2c(=O)ncnc2[nH][nH]1 CPD-9024 CCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCCCC CPD-7929 C[C@@H]1[C@@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)CNC(=O)c2cccc(c2O)O)C)NC(=O)CNC(=O)c3cccc(c3O)O)C)NC(=O)CNC(=O)c4cccc(c4O)O CPD-9984 c1cc(c2c(c1[N+](=O)[O-])non2)Cl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c1ccc(cc1)C CPD-1422 CN(C)c1ccc(cc1)N=N(=O)c2ccccc2 4-DIMETHYLAMINOPHENYLAZOXYBENZENE c1ccc2c(c1)c(c[nH]2)CC(=O)OC3C(OC(C(C3O)O)O)CO INDOLE-3-ACETYL-BETA-4-D-GLUCOSE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O CPD-8357 c1ccnc(c1)O 2-HYDROXYPYRIDINE CC[C@@]12C=CC[N@@H+]3[C@H]1[C@]4(CC3)c5ccc(cc5N([C@@H]4[C@@]([C@H]2OC(=O)C)(C(=O)OC)O)C)OC VINDOLINE CCCCC(=O)N CPD-586 c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O APIGENIN-7-O-BETA-D-GLUCOSIDE C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O CPD-174 c1cc(ccc1[C@@H]2C(Cc3c(cc(cc3O2)O)O)O)O CPD-1962 C(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])[NH3+] CPD-538 C[C@@H]1[C@H]2C(=O)N[C@H](c3nc(cs3)C(=O)N[C@H](c4nc(cs4)C(=O)N[C@H](C(=N2)O1)C(C)C)C(C)C)C(C)C CPD-10391 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O LOGANIN *N SUBSTITUTED-AMINE CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O CORTISOL CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-] PALMITOYLGLYCERONE-PHOSPHATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COCC(COP(=O)([O-])[O-])O)/C)/C)/C)C SN-GERANYLGERANYLGLYCERYL-1-PHOSPHATE c1ccc(cc1)C(CO)C(=O)[O-] TROPATE C[NH+]1[C@@H]2CC[C@H]1C[C@H](C2)O TROPINE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(cc4)O)O P-COUMAROYL-COA CC(CC/C=C(\C)/CCC=C(C)C)/C=C/C(C)(CC/C=C(\C)/CCC=C(C)C)C=C CPD-10662 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]2O)O)O)CO)O)O)O)O ALPHA-MALTOSE CC(=O)OC(C)(C)CCC(=O)[C@@](C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)CO)C)C)O)O CPD-5204 [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)OP(=O)([O-])[O-])NC(=[NH2+])N)O)NC(=[NH2+])N STREPTIDINE-6-PHOSPHATE C[C@@H](c1ccc(cc1)O)O CPD-10597 CO[C@H]1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1O)O)O)O)O CPD-8046 CC(=C)[C@H]1CCC(OC(=O)C1)(C)O CPD-10060 C(CCCCC(=O)[O-])CCCC(CCCCCCO)O 9--OR-1016-DIHYDROXYPALMITATE CCC(=O)CC(=O)O CPD-7705 c1c(c(=O)[nH]c(=O)n1[C@@H]2C[C@@H]([C@@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)CO CPD0-1346 C[C@H](C(=O)[O-])O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C CPD0-882 Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Mg]n2c(c1CCC(=O)[O-])/cc/6\nc(\c5)C(=C6CCC(=O)[O-])C)C)C=C)C(=C3C=C)C MG-PROTOPORPHYRIN CC(=CCC/C(=C/CC/C(=C/C=C\C=C(\CC/C=C(/CCC=C(C)C)\C)/C)/C)/C)C CPD-9906 CCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8434 CC1(C2=C(Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)[O-])O CPD1A0-6106 C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)CO CPD-9669 CCCS(=O)(=O)[O-] CPD-10435 C[C@@H]1CC[C@@H](C(C1)O)C(C)(C)O PARA-MENTHANE-38-DIOL 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)CO)O 18-HYDROXYCORTICOSTERONE C[NH2+][C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]3[C@H]([C@H]([C@H](O2)CO)O)OC4(O3)[C@H]([C@@H]([C@@H](C(O4)[C@@H](COP(=O)([O-])[O-])[NH3+])O)O)O)O)[NH3+] 7-O-PHOSPHOHYGROMYCIN-B c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O)O)O CAFFEOYLQUINATE c1cc(c2c(c1O)c(=O)c3c(cc(cc3o2)[O-])O)O CPD-6885 c1cc(ccc1SC[C@@H](C(=O)[O-])[NH3+])Br S-4-BROMOPHENYL-L-CYSTEINE CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COS(=O)(=O)[O-])O)O)O)[NH3+])O CPD-518 c1cnccc1C(=O)C2C=CN(C=C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)OP(=O)([O-])[O-])O)O)O CPD0-1407 CCCCCCCCO[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O)O)NC(=O)C CPD0-1052 CCCCC[N+](=O)[O-] CPD-8140 C(CS(=O)(=O)[O-])O CPD-3745 *C(=O)N1CCC[C@H]1C(=O)N* CPD-8625 c1nc(c2c(n1)n(cn2)C3C(CC(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N CPD-10118 CC1=C([C@@](C[C@@H](C1)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)(C)C)C=O CPD-8668 c1cc(c(c(c1)O)O)n2c(=O)c(c(cn2)N)Cl 5-AMINO-4-CHLORO-2-23-DIHYDROXYPHENYL C(C(=O)C(C(C(=O)CO)O)O)O CPD-382 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O BETA-D-GAL-1-3-D-GLCNAC Cc1cc2c(cc1C)N3C=N2[Co]456(N7=C8[C@H](C(C7=CC9=N4C(=C(C1=N5[C@@]([C@@H]2N6C(=C8C)[C@@]([C@H]2CC(=O)N)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]2[C@H](O[C@H]3[C@@H]2O)CO)O)C)C)([C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]9CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N)C#N CPD-315 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)[O-])O CPD-3727 C(C(C(=O)C(COP(=O)([O-])[O-])(C(=O)[O-])O)O)OP(=O)([O-])[O-] CARBOXY-ARABINITOL-PP CC1=CCC(CC1)(C)C2=CCCC2(C)C CPD-8237 CC1=C([C@@](C[C@@H](C1)O)(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](C[C@]2(C)C)O)C)\C)\C)/C)/C CPD1F-130 Cc1ccc(c(c1)N)O CPD-7366 Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Mg]n2c\6c1C(=O)C/c6c\7/nc(\c5\C)[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C)C)C(=O)C)C(=C3C)C CPD-9092 CCCCCCCCCCCC/C=C/CC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC(CO)O CPD-2185 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)OC6[C@@H]([C@H]([C@@H](C(O6)CO)O)O)O)C)C)(C)C)OC7[C@@H](C(C([C@H](O7)C(=O)[O-])O)OC8[C@@H]([C@H]([C@H](C(O8)CO)O)O)O)O CPD-9464 C[N@@H+]1CC[C@]23c4c5ccc(c4OC2C(=O)C=CC3[C@H]1C5)O MORPHINONE c1ccc(cc1)Br BROMOBENZENE CC(C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)[O-])Oc3ccccc3 CPD-9222 C/C(=C/CNc1c2c([nH]cn2)ncn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c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O CPD-13 [O-]S(=O)(=O)[O-].[Ag+].[Ag+] AG2SO4 CC(C)/C=C/CCCCCC(=O)NCc1ccc(c(c1)OC)O CPD-9331 c1ccc(c(c1)C(=O)C(=O)[O-])N ALPHA-AMINOPHENYL-GLYOXYLATE C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(=O)C4)C)C CPD-3941 CC(C)[C@@]12C[C@@H]1C(=C)[C@@H](C2)O -CIS-SABINOL COc1ccc(cc1)c2c(c(=O)c3c(cc(cc3o2)O)O)[O-] CPD-7252 c1ccc2c(c1)-c3ccccc3C2O 9FLUORENOL c1cc(ccc1C(=O)[O-])[Hg]O PHMB c1ccc(cc1)c2c(c(=O)c3ccccc3o2)[O-] CPD-3261 CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C CHOCOLA_A C1=CC(=O)C=CC1=O P-BENZOQUINONE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)C SOLANESYL-PYROPHOSPHATE C[C@@H]1[C@]23C(=C([C@@]([C@H](C2)CC3)(C)C)C)[C@@H](C1)O CPD-9961 CCCCC/C=C\CC=O CPD-8684 C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C CPD-1905 CCC(C)CCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC(=O)/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)O)O)O CPD-9916 CC(=CCC/C(=C/C=C\C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C/C=C(/CCC=C(C)C)\C)/C)\C)/C)\C)/C)C CPD-7496 CCC1=C(/C(=C/C2=N/C(=C\c3[nH]c(c(c3CCC(=O)[O-])C)/C=C/4\NC(=O)[C@@](\C4=C\C)(C)C)/C(=C2C)CCC(=O)[O-])/NC1=O)C 3Z-PHYCOCYANOBILIN CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC CPD-7818 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8157 CC(C)CCCCCC(=O)NCc1ccc(c(c1)OC)O CPD-9182 CC(C(=O)OP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)[NH3+] ALANYL-POLYGLYCEROLPHOSPHATE CC1[C@@]23C4=C([C@@](C5=[N+]4[Co+2]67N2C(=CC8=[N+]6C(=C([C@]8(C)CC(=O)[O-])CCC(=O)[O-])Cc9n7c(c(c9CC(=O)[O-])CCC(=O)[O-])C5)[C@H]([C@@]3(CC(=O)O1)C)CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-] CPD-9041 Cc1cc(c(c(c1O)O)OC)O CPD-9934 C(CO)C(=O)C(=O)[O-] CPD0-1310 CCCCCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCCC=O CPD-3923 C([CH-][N+](=O)[O-])O CPD-8149 CC1=CC(=O)C=CC1=O CPD0-1156 CC1(C2CCC(O1)(C(=O)C2)C)C CPD-790 C(=O)(C(Cl)(Cl)Cl)[O-] CPD-9675 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]2O)NC(=O)C)O[C@@H]3[C@H]([C@]([C@H](O[C@@H]3OP(=O)([O-])OC[C@H](C(=O)[O-])OC/C=C(\C)/CC/C=C/C(C)(C)CCC(=C)C/C=C(\C)/CCC=C(C)C)C(=O)[O-])(C)O)OC(=O)N)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(=O)NC6=C(CCC6=O)O)O)O)O MOENOMYCIN CCCCCCCNC(=O)CCNC(=O)C(O)[C@@](CO)(C)C CPD0-1153 CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)[O-] CPD-731 CC1(C=C(C(=O)O1)Cl)CC(=O)[O-] CPD-10644 C[C@@](CO)(C(=O)O)N 2-METHYL-L-SERINE CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl CPD-8963 c1cc(ccc1[C@H](C(=O)[O-])N2C[C@@H](C2=O)NC(=O)/C(=N/O)/c3ccc(cc3)O)O CPD-9417 CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C CPD-8966 CC[C@]12CC(=C3[C@@]4([C@H]1[NH+](CC4)CC=C2)c5ccccc5N3)C(=O)OC TABERSONINE CCC1/c/2c/c3c(c4c([nH]3)/c(c/5\nc(/cc\6/c(c(/c(/[nH]6)c/c(n2)C1C)C(=O)C)C)[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCC=C(C)C)C)/[C-](C4=O)C(=O)OC)C CPD-9100 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8278 CC(C)/C=N/OC 2-METHYLPROPANAL-O-METHYLOXIME CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)COP(=O)([O-])O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O CPD-483 CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(/C=C(/C1)\C)CC=C)O)C)/C(=C/C4CCC(C(C4)OC)O)/C)O)C)OC)OC CPD-10016 C[C@@H](CSCCS(=O)(=O)[O-])O 2-S-HYDROXYPROPYL-COM c1ccc2c(c1)c(c[nH]2)C/C(=N/OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-1863 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C12OC1(C[C@H](C[C@]2(C)C)O)C)/C)/C)/C=C/C=C(/C=C/C34OC3(C[C@H](C[C@]4(C)C)O)C)\C CPD1F-133 C(CC#N)CCl CPD-8863 C[C@@H]1CCC=C([C@]12CC[C@@H](C2)C(=C)C)C CPD-4703 S1[Fe]2S[Fe]3S2[Fe]1S3 3FE-4S *[NH2+][C@@H](CCCC[NH2+]C)C(=O)[O-] CPD-8579 Cc1cc(=O)oc2c1ccc(c2)OP(=O)([O-])[O-] 4-METHYL-UMBELLIFERYL-PHOSPHATE CCCCC/C=C\C=C\1/C(O1)CCCCCCCC(=O)[O-] CPD-8681 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(=O)[O-])O)O)O)O)O UDP-D-GALACTURONATE C(N)S(=O)(=O)[O-] CPD-10559 c1ccc2c(c1)cccc2C(=O)[O-] CPD-7615 CCNC(=O)CC[C@@H](C(=O)[O-])[NH3+] CPD-9384 CC(=O)N[C@@H](CSCO)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)O)O)O)CO)O)O S-HYDROXYMETHYLMYCOTHIOL Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)[O-])[NH3+] 5-METHYL-DL-TRYPTOPHAN c1ccc(cc1)c2cc(=O)c3ccc4ccccc4c3o2 CPD-10550 CC(C)N(c1ccccc1)C(=O)CCl CPD-9378 OP(=S)([O-])[O-] CPD-3734 CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7757 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@]([C@@H](O3)C)(CO)O)O)O DTDP-L-DIHYDROSTREPTOSE CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H](C(O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCCCC4CC4C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O CPD1G-855 CC(C(=O)NC(CCC(=O)[O-])C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C ACETYLMURAMYL-ALANYL-ISOGLUTAMINE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C=C)O ACRYLYL-COA S=[Nb]=S NBS2 c1cc(oc1)CNc2c3c(nc[nH]3)ncn2 CPD-4609 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O CPD0-1297 COc1ccc(cc1)c2coc3cc(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 CPD-4564 c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)[O-])[NH3+] D-TRYPTOPHAN CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9969 c1ccc2c(c1)c(c[nH]2)CCO CPD-341 COc1cc(ccc1O)/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O CPD-8935 Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)[O-])C2=O CPD-8215 c1ccc(c(c1)CNc2c3c(ncn2)NCN3)O CPD-6161 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)OC)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9866 CC(C)(c1ccccc1)OO CPD0-1449 C1C[C@H](N=C1)C(=O)[O-] L-DELTA1-PYRROLINE_5-CARBOXYLATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)C CPD-9454 CC1(C=Cc2cc3c(cc2O1)OC[C@@]4([C@H]3Oc5c4ccc(c5)O)O)C CPD-4406 [N+](=O)=O NITROGEN-OXIDE c1cc(c(cc1c2c(cc3c(cc(cc3[o+]2)O)[O-])OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O CPD1F-766 CCCCCCCCCCCCCCCCCCC CPD-7942 COCC(C(=O)[O-])[NH3+] CPD0-1507 CCCCC/C=C\CC(=O)C(CCCCCCCC(=O)[O-])O CPD-8683 CCCC(=O)CCCCO CPD-9422 C=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)[O-])CC=O SECOLOGANATE c1ccc(cc1)[S-] CPD-8132 c1cc(c(cc1C=C2C(=O)c3ccc(cc3O2)O)O)O CPD-7389 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8306 c1cc(ccc1[C@@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O CPD-1042 C[C@H](/C=C/[C@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C ERGOSTEROL CC(CC(=O)[O-])[NH3+] CPD-4748 COc1ccc(cc1OC)c2coc3cc(ccc3c2=O)O CPD-9530 C[NH+]1CCc2cc(c(cc2[C@@H]1Cc3ccc(cc3)Oc4cc(ccc4O)C[C@H]5c6cc(c(cc6CC[NH+]5C)OC)O)O)OC CPD-8925 CC1C(C([C@H](C(O1)OC2CCC3([C@H]4CCC5(C(CCC5(C4CCC3C2)O)C6=CC(=O)OC6)C)C)O)O)O CPD-10538 CCCCCCCCCCCCCCC=O CPD-388 CCCCCCCCCCCCCCCCCCCCCC/C=C/CCCC=O CPD-7913 C[C@@H]1C[C@@H](C[C@H]([C@]12CC[C@H](C2)C(=C)C)C=O)O CPD-4743 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)O[C@]3([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)CO)O)O)O)O)O)O)O CPD-169 C(C1C2=C(C3C(O1)Nc4c(c(=O)[nH]c(n4)N)N3)S[Mo](=O)(=S)S2)OP(=O)([O-])[O-] CPD-8124 C(C[NH3+])C#N BETA-AMINOPROPIONITRILE 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)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O)O)O)O)O CPD-5781 *C1C(C(C(CO1)O)O)O CPD-8542 CC[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 CPD-4143 c1ccc(cc1)CSC#N CPD-65 C=C(C(=O)[O-])OC1CC(=CC(C1O)OP(O)(O)O)C(=O)[O-] 3-ENOLPYRUVYL-SHIKIMATE-3P COc1ccc(cc1)C[C@@H](C(=O)N[C@H]2[C@H]([C@@H](O[C@@H]2C(=O)O)n3cnc4c3ncnc4N)O)N CPD-10131 C([C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(=O)[nH]c(=O)[nH]3)[nH]c2=O)O)O)OP(=O)([O-])[O-] CPD-443 CC(=CCC/C(=C\CC/C(=C/CO)/C)/C)C CPD-9102 c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])CC(C(=O)[O-])N DINITRO-L-TYROSINE c1cc(ccc1NO)Cl CPD-9156 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)N GDP-GALACTOSE C=C[C@H]1C[NH+]2CCC1C[C@H]2[C@@H](c3ccnc4c3cccc4)O CPD-9835 CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)[O-] CPD1A0-6111 *C1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O D-GALACTOSYL-LIPOPOLYSACCHARIDE CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7824 c1cc(c(cc1/C=C/C(=O)OC(C(C(C(C(=O)[O-])O)O)O)C(=O)[O-])O)O 2-O-CAFFEOYLGLUCARATE CCC#N CPD-8860 C/C(=C(/C=C(\C(=O)[O-])/O)\O)/C=O CPD-9137 C1CC1Nc2nc(nc(n2)O)O CPD-7405 C[C@H](CC[C@H](C)C(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C CPD-10566 CC(=CCC/C(=C/CC[C@](C)(C=C)O)/C)C CPD-8843 CC1([C@H]2CC[C@H](C2)C1=C)C CPD-4921 CCCCCCCCCCCCCCCCC/C=C/CCCCCCC(=O)C CPD-8498 C[NH2+]CCCC(=O)c1ccc(nc1O)O CPD-113 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC CPD-7766 COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)/C=C/C(=O)/C=C(/C=C/c4ccc(c(c4)OC)OC5[C@H]([C@@H]([C@H]([C@@H](O5)CO[C@@H]6[C@H]([C@@H]([C@H]([C@@H](O6)CO)O)O)O)O)O)O)\O CPD-6626 CC[C@H]1CC(=O)O[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](c2nc(cs2)C(=O)N1)C)Cc3ccccc3)C)C(C)C)C)C CPD-10394 C(CC(=O)[O-])c1c(c([nH]c1Br)C[NH3+])CC(=O)[O-] 2-BROMOPORPHOBILINOGEN CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C O-ACETYLCARNITINE c1ccc(cc1)CC(C(=O)[O-])NC(=O)Cc2c[nH]c3c2cccc3 CPD-9582 CC(CCNc1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO CPD-4615 Cc1cc(ccc1[N+](=O)[O-])[O-] CPD-9140 CCCCCCCCC/C=C\CCCC([C@H](C(CO)NC(=O)CCCCCCCCC/C=C\CCCCCCCC)O)O CPD-9797 CCCC[P+](CCCC)(CCCC)Cc1ccc(cc1Cl)Cl CPD-6966 c1ccc(cc1)CC(=O)N CPD-238 c1ccc2c(c1)CC3=C2[C@H]([C@H](C=C3)O)O 3-4DH3-4DHFLUORENE CC(=O)CCC1c2c(cc3c(c2O)C(=O)c4c(cc(cc4O)[O-])C3=O)OC1O CPD-10168 CC(C(C=C(C(=O)[O-])O)O)O DEHYDFUC-CPD c1cn(cn1)CC(O)(P(=O)(O)[O-])P(=O)(O)[O-] ZOLEDRONATE CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7797 COc1ccc(c(c1)OC)[C@@H]2COc3cc(cc(c3C2=O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O CPD-4571 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O CPD1G-1353 CC(C([C@H]([C@@H](C(=O)[O-])O)O)O)O CPD-33 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(C(CO)O)O)(C(=O)[O-])O)OC(=O)C CPD-414 CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)[C@H]([C@@H]7CCC(=O)[O-])C)/C(C6=O)C(=O)OC)C)C)C(C)O)C CPD-9064 C[NH+]1[C@@H]2CC[C@H]1C[C@@H](C2)O PSEUDOTROPINE C/C(=C/CNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO CPD-4619 C=C(C(=[O-])O)O[C@H]1CC=C([C@H]([C@@H]1O)C(=O)[O-])C(=O)CCC(=O)[O-] CPD-9924 C[NH+](C)CCC(=O)[O-] CPD-6142 COc1cc2c(c(c1O)O)c(=O)c(c(o2)c3ccc(c(c3)O)O)OC CPD-10527 CC(=CCc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)O)[O-])C CPD-7120 C=C(CC(=O)C(=O)[O-])C(=O)[O-] CPD-88 *OC[C@H](CO)O 1-ALKYL-SN-GLYCEROL c1cc(c(c(c1)O)O)C(=O)NCC(=O)[O-] CPD-9983 CC(=CCCC(CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O)C 3-HYDROXY-3-4-METHYLPENT-3-EN-1-YLG-COA 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)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)CO)O)O)O)O)O CPD-10682 CCCCCCCCCCCCCCCCCCCC=O CPD-7882 C(#N)c1c(c(c(c(c1Cl)Cl)Cl)C#N)Cl CPD0-1031 CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C 2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE c1ccc2c(c1)c(cc(n2)C(=O)[O-])[O-] KYNURENATE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)O CPD-8356 C1[C@@H]([C@H](O[C@H]1n2c3=NCNC(=c3[nH]c2=O)N)COP(=O)([O-])OP(=O)([O-])[O-])O CPD0-1094 CC(=O)N(CCC[NH3+])O CPD-1023 C(Cl)Cl CPD-681 CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-8510 c1ccc2c(c1)OC3=CC=CC(C3(O2)O)O CPD-925 CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7782 COc1cc(cc(c1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C=O CPD-79 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8402 C1CCC(C1)[N+](=O)[O-] CPD-8148 c1cc(c(cc1CC=O)O)O 34-DIHYDROXYPHENYLACETALDEHYDE Cc1ccc2c(ccc(c2c1)C(C)C)C CPD-8806 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCC CPD0-1422 CSCCC/C(=N\OS(=O)(=O)[O-])/SC1C(C(C(C(O1)O)O)O)CO 3-METHYLTHIOPROPYL-GLUCOSINOLATE C/C=C(\C)/C(=O)OC1CC[NH+]2CC3CC(C2C1)CN4C3CCCC4=O CPD-8918 CCc1ccc(c(c1)OC)O CPD-10601 C1C(CSS1)C(=O)[O-] ASPARAGUSATE C(CC(=O)[O-])C[C@@](CC(=O)[O-])(C(=O)[O-])O CPD-152 c1ccc(cc1)C/[NH+]=C(/c2ccccc2)\N CPD0-1432 c1ccc2c(c1)C(=O)C=CC2=O CPD0-954 C[C@H](C=O)O CPD-358 C1CC([NH2+][C@H]1CC(=O)[O-])C(=O)[O-] CPD-9403 c1ccc2c(c1)c(ccn2=O)NO 4-HYDROXYAMINOQUINOLINE-N-OXIDE CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COc3ccccc3)C(=O)[O-])C CPD-9196 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8082 COc1cc(ccc1O)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](OC2O[C@@H]3[C@H]([C@@H]([C@H](OC3Oc4cc5c(cc4O)/[N+](=C/C=C/6\C[C@H]([NH2+]C(=C6)C(=O)[O-])C(=O)[O-])/[C@@H](C5)C(=O)[O-])CO)O)O)C(=O)[O-])O)O CPD-8676 CC1[C@H]([C@@H]([C@@H](C(O1)OC[C@H]2[C@@H]([C@H]([C@@H](C(O2)Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)O)O)O)O)O)O CPD-7059 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C CPD-7904 C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])(C)C(=O)[O-] C20SKELETON CC(CCC(C(CO)CO)O)C1CCC2[C@@]1(C(CC3[C@H]2[C@H](C[C@H]4[C@@]3(CCC(C4)O)C)O)O)C 5-BETA-SCYMNOL C1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O CPD-360 C([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)COP(=O)([O-])[O-])O)O)O)O LACTOSE-6P C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C CPD-709 CCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8455 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)OP(=O)([O-])[O-])N CPD0-1187 c1cnc2c(n1)c(nc(n2)N)O 2-AMINO-4-HYDROXYPTERIDINE c1c(n(c(=N)nc1N2CCCCC2)O)N CPD-7668 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O)C(=O)[O-])O)O)C(=O)[O-])O)O 12-BETA-D-GLUCURONOSYL-D-GLUCURONATE CC(C(=O)[O-])N(C)C(=O)N N-METHYL-N-CARBAMOYL-D-ALANINE Cc1cc2c3c(c1)OCc3c(c(c2C(C)C)O)O CPD-9524 Cn1c(=O)c2c([nH]c1=O)nc[nH]2 CPD-9025 CC1=C[C@@H]([C@H](CC1)C(=C)C)O CPD-263 Cc1cc(cc(c1O)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)O MPBQ 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]2O)O)OP(=O)(O)OP(=O)(O)OCC(COC=O)OC=O)CO)O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O D-MANNOSYL-RHAMNOSYL-ETCETERA c1ccc(c(c1)C(=O)CC[NH3+])N CPD-7654 CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC CPD-7779 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC CPD-7786 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCC/C=C\CCCCCCCC CPD-8312 CC(=CCC/C(=C/C/C=C(/C)\C=C)/C)C CPD-9338 C[C@]12CC[C@H]([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(C)(C)O CPD-6951 c1cc(c(cc1/C=C\C(=O)[O-])O)O CPD-8098 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O CPD-7260 COc1c2ccc(=O)oc2cc3c1cco3 5-METHOXYFURANOCOUMARIN CC[C@H]1[C@@H](OC1=O)[C@@H](C)C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@H](C)CC)O)/C CPD-8226 [Cr+3] CR+3 c1ccc(cc1)[C@@H](C(=O)[O-])O CPD-122 C(CCC(=O)N)CC[NH3+] CPD-7790 CCCCCCCCCCCCCCCCCCCC(=O)[O-] ARACHIDIC_ACID CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C CPD-8789 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)C CPD-9894 C(C(C(=O)[O-])OCC(=O)[O-])C(=O)[O-] CPD-668 CCCCCCCCCCCCCCCCCCCCCCCCCCO CPD-7871 CC1=C([C@@](C[C@@H](C1)O)(C)C)C=O CPD-8661 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4cccc(c4)O)O CPD-264 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCCC4CC4CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)O)O)O)O)O)O CPD1G-852 C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)[O-])/C)/C)/C=C/C=C(/C(=O)[O-])\C CPD-8662 CC1=C(C(=O)c2ccccc2C1=O)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 CPD-9728 C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])NP(=O)([O-])[O-] L-ARGININE-P C[C@@H]1[C@H]2C(=O)N[C@H](C3=NC(CS3)C(=O)N[C@H](C4=NC(CS4)C(=O)N[C@H](C(=N2)O1)C(C)C)Cc5ccccc5)C CPD-10389 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5C(C(C(C(O5)C(CO)O)O)O)O)O)OP(=O)([O-])[O-])OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)OC8(CC(C(C(O8)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]9[C@H]([C@@H]([C@H]([C@H](O9)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-936 c1cc(c(cc1C=C2C(=O)c3ccc(cc3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O CPD-7392 *C(=O)N1CCC[C@H]1C(=O)N* CPD-8624 C(CCCC[NH3+])CCC[NH3+] 18-DIAMINOOCTANE CCCCCCCCCCCCCCCCC(=O)C(=O)[O-] 2-OXOSTEARATE C1=C(C(=C[C@@H]([C@@H]1O)O)Cl)Cl CPD-10624 c1cc(c(c(c1)Cl)Cl)Cl CPD-10627 COc1ccc(c(c1)OC)C2Cc3ccc(cc3OC2)O CPD-9367 C(C(=O)CO)C(=O)C(=O)[O-] 5-OH-2-4-DIOXOPENTANOATE C(C(=O)[C@H](C(=O)[O-])O)O CPD-363 C1CN(C1C(=O)[O-])CC(C(C(=O)[O-])[NH2+]CCC(C(=O)[O-])O)O CPD-7231 Cc1/c/2c/c3n/c(c\c4c(c(c([n-]4)/cc/5\nc(/cc(/c1CCC(=O)O)\[n-]2)C(=C5C=O)CCC(=O)O)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)/C(=C3C=C)C.[Fe+4] HEME_A COc1ccc(cc1)C(=O)[O-] CPD-1076 c1ccc(cc1)COC=O CPD-103 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)O)O)O)OC(=O)c7cc(c(c(c7)OC(=O)c8cc(c(c(c8)O)O)O)O)O CPD-8956 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]2O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O)CO)O)O)CO)O)O)CO)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O)O MANNOSYL-ETCETERA-GLUCOSAMINYL-D-MANNOSE CCCCCC/C=C/C=C\CCCCCCCCCC(=O)[O-] CPD-9843 C(C(C(=O)NO)[NH3+])O CPD0-1378 C[n+]1cc2c(c3c1c4cc5c(cc4c(c3)OC)OCO5)c(cc6c2OCO6)OC CPD-7848 c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(C(=O)O)N THRYROXINE CC(=O)N[C@@H](C(CCNC(=[NH2+])N)O)C(=O)[O-] CPD-9292 C(=O)(N)NN SEMICARBAZIDE C[c-]1c(=O)c(c(o1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC CPD-10216 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CO)COP(=O)([O-])[O-])O)O)O)O 2-BETA-D-GLUCOSYL-SN-GLYCEROL-3-PHOSPH Cc1ccc(c(c1)N)C(=O)[O-] CPD0-1489 [Be+2].[F-].[F-] CPD0-1230 CCCCCCCCCCCCCC(=O)N CPD6666-2 C[C@@H]1[C@H](CCC23C1CCC4C2(C3)CC[C@]5([C@]4(CCC5[C@H](C)CCC(=C)C(C)C)C)C)O CYCLOEUCALENOL C(C(CO[N+](=O)[O-])O)O CPD-147 C(CCC=O)CCC(=O)[O-] CPD-338 CC(C(=O)N)[NH3+] CPD-7692 C(=O)OP(=O)([O-])[O-] CPD-495 Cc1ncc(c(n1)N)CN2CSC(C2C)CCOP(=O)([O-])OP(=O)([O-])[O-] CPD0-1354 COc1ccc(cc1OC)C(CO)C(c2ccc(c(c2)OC)OC)O 12-BIS34-DIMETHOXYPHENYLPROPANE-13- CCCCCC(=O)c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2=O)[O-] CPD-10162 Cc1ccc(c(c1)O)O 4-METHYLCATECHOL c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)[O-])O)O)O LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2 C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O CPD0-1114 [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 CPD-178 C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)O[C@]17CC[C@@](O7)(C)CO 20S22S25S-2225-EPOXYFUROST-ETC-GLUCOSIDE CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCC/C=C\CCCCCCCC)O)OC(=O)C[C@@H](CCCCCCC)O)O CPD0-1284 CCCCCCCc1cc(=O)c2ccccc2n1O CPD-7975 C(CC[NH3+])C[C@H](C(=O)[O-])[NH3+] CPD-219 COc1cc(c2c(c1)occ(c2=O)c3ccc(cc3)O)O CPD-3521 C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O CPD-10416 Cc1c(cc(c(c1C/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)/CC/C=C(\C)/CCC=C(C)C)O)OC)O CPD-9872 CCCCCCCCCCCCCC=O CPD-7886 CC1=C(C(=O)c2ccccc2C1=O)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)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9721 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]2O)O)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](OC([C@@H]([C@H]5O)O)O)CO)CO)CO)CO)O)O)O)O MALTOPENTAOSE c1ccc(cc1)/C=C/c2cc(cc(c2)O)O CPD-438 C1=CC(=O)NC1=O MALEIMIDE CCCCCCCCCCCCCC(CC(=O)[O-])O CPD-9781 c1ccc2c(c1)c(c[nH]2)CC(C(=O)[O-])O INDOLE_LACTATE c1cc(c(cc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)Oc3cc(cc4c3cc(c([o+]4)c5cc(c(c(c5)O)O)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[O-])O)O)O)O)O CPD-7960 C1C[NH+]([C@@H]1C(=O)[O-])CC[C@@H](C(=O)[O-])[NH2+]CCC(=O)C(=O)[O-] CPD-7228 CC(=O)NCCc1ccccc1 N-ACETYLPHENYLETHYLAMINE C(C(C(COP(=O)([O-])[O-])O)O)O D-ERYTHRITOL-4P CC(Cc1ccc(c(c1)O)O)C(C)Cc2ccc(c(c2)O)O CPD-7661 C1[C@@H]([C@H]([C@@H](O[C@@]1(C(=O)[O-])O)[C@H]([C@H](CO)O)O)NC(=O)CO)O CPD-273 C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O 17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3- CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8418 CCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C CPD-8481 *OCC(=O)COP(=O)(O)O O-ALKYLGLYCERONE-PHOSPHATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)C CPD-9731 CC(CCC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)CC/C=C(\C)/CCC=C(C)C CPD-7002 CCCCCCCCCCCCC/C=C\C(C(COP(=O)([O-])[O-])[NH3+])O CPD3DJ-11366 CC(C)([C@@H]1Cc2cc3ccc(=O)oc3cc2O1)O CPD-8191 c1cc(ccc1c2cc(=O)c3c(o2)cc(c(c3O)C4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(CO5)O)O)O)O CPD-10349 CC1(CCCC2(C3C1C(C2(CC3)C)O)C)C CPD-8761 c1c(c(c(=O)n(n1)C(=O)/C(=C/C=C/C(=O)[O-])/[O-])Cl)N 5-AMINO-4-CHLORO-2-2-HYDROXYMUCONOYL-3 C([C@@H]1[C@H](C(=O)[C@H]([C@H](O1)O)O)O)O 3-DEHYDRO-ALPHA-GLUCOSE c1ccc2c(c1)c(c[nH]2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O INDICAN CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8091 COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc(c(c4)OC)OC PALMATINE CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C=C/C=C(/C=C/C=C(\CC/C=C(/CCC=C(C)C)\C)/C)\C)\C)/C)/C)C CPD-7535 CC1C2CCC3(C=CC(=O)C(=C3C2OC1=O)C)C ALPHA-SANTONIN CCC1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)[O-])/C)/C)C CPD-2021 CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-])O CPD-1913 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8333 CC1=CCC2(C(C1CC=C(C)C)C(=O)c3c(c(c(c(c3C2=O)C(C)C)O)[O-])C=O)C CPD-9741 CC1=CC[C@H]2[C@H](C1)[C@@H](CC=C2C)C(C)C CPD-8796 c1cnccc1C(=O)NN ISONIAZIDE CC(=O)N[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)C(=O)[O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C CPD-10313 CC(CCCC(C1[C@@]2([C@](C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)(CC1)CO)C)C)C CPD-8607 C(C(=O)[O-])(Cl)Cl CPD-9674 *CC1C(=O)NC(C(=O)N/C(=C\NC(=O)N)/C(=O)NC(C(=O)NCC(C(=O)N1)N)C2CCNC(=N)N2)CNC(=O)CC(CCCN)N CAPREOMYCIN C[C@@H](C[NH3+])C(=O)[O-] CPD-466 CC/C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)[C@@](COP(=O)(OP(=O)(OC[C@@H]1O[C@@H](C(C1OP(=O)([O-])[O-])O)n2c3ncnc(c3nc2)N)[O-])[O-])(C)C E-11-TETRADECENOYL-COA CN(=NCO)=O CPD-2421 Cc1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2 CPD-9557 CCCCCCCCC=O CPD-8491 Cc1c(c2c3c(cc(c2O)NC(=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@@]4(C(=O)c3c1O4)C)O)C)OC(=O)C)C)O)C)O)C)/C)O)[O-] CPD-10237 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 CPD-7285 c1c(cc(c2c1C(=O)C(=C(C2=O)c3c(cc(c4c3C(=O)C(=CC4=O)[O-])O)O)[O-])O)O CPD-10681 *C(=O)N[C@@H](COP(=O)(O)O)C(=O)N* CPD-8563 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8092 c1ccc2c(c1)ccc(c2O)C(=O)[O-] HYDROXYNAPHTHOATE CC(C)(CO)[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-])O CPD-46 CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] CPD-424 C=C1CC1CC(=O)C(=O)[O-] CPD-9739 C/C/1=C\CC/C(=C/CC(=C(C)C)CC1)/C CPD-8744 CC(=O)CC(C(=O)[O-])[NH3+] 2-AMINO-4-OXO-PENTOATE Cc1c(c(c(c(c1O)OC)OC)O)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 CPD-9955 CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C DEHYDRO-EPIANDROSTERONE-SULFATE CC(C)CC(=O)C1=C([C@](C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O)[O-] CPD-7116 CC/C=[S+]\[O-] CPD-9305 c1cc(ccc1/C=C/c2cc(cc(c2)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CPD-6958 C[C@H](/C=C/[C@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-4161 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]2O)O)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]([C@H]5O)O)O[C@@H]6[C@H](OC([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O MALTOHEXAOSE CCC(C)/C=N/O CPD-10273 Cc1ccc2c(c1O)C(=O)c3cc(c(c(c3C2=O)O)OC)O CPD-9623 CC(=O)NC(Cc1ccc(cc1)O)C(=O)NC2[C@H](OC([C@@H]2O)[n@@]3cnc4c3ncnc4N(C)C)CO CPD-10088 C(CCCOP(=O)([O-])[O-])CCOP(=O)([O-])[O-] CPD0-967 CCCCCCCCCCCCCCC(C(C(CO)NC(=O)C(CCCCCCCCCCCCCC)O)O)O CPD-8452 c1ccc(cc1)c2ccccc2 BIPHENYL COS(=O)(=O)[O-] CPD-545 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 CPD-7075 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-7835 Cc1c(cc(cc1[N+](=O)[O-])NO)[N+](=O)[O-] CPD-10457 CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@H](C6=O)C(=O)OC)C)C)C=C)C=O CHLOROPHYLL-B CCCC(=O)N[C@@H](C(C)C)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](CN3C1=O)C)CC(C)C)CC(C)C)CC(=O)N)Cc4ccc(cc4)O CPD-10370 c1cc(ccc1c2coc3cc(ccc3c2=O)O)O DAIDZEIN CCCCCC/C=C\CCCCCCCC(=O)[O-] CPD-9245 CCc1ccc(cc1)O CPD-10596 CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C undecaprenyl C1=CC(C=CC1O)(C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-] CPD-659 CC(C)C1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C CPD-8800 CCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8298 Cc1cccc(c1)[N+](=O)[O-] 3-NITROTOLUENE C[C@H]([C@H]([C@@H]([C@@H](C=O)O)O)[NH3+])O CPD-9386 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC(CO)O CPD-8087 c1cc(c(cc1[C@H]([C@@H](C(=O)[O-])[NH3+])O)O)O CPD-8858 CCCCCC(=O)N CPD-10099 CC(C)c1ccc2c(c1)CCC3[C@@]2(CCC[C@@]3(C)CO)C CPD-8722 c1cc(ccc1C(c2ccc(cc2)Cl)C(Cl)(Cl)Cl)Cl CPD-43 C1CC(CC(C1)(C(=O)[O-])[NH3+])C(=O)[O-] CPD0-1440 c1ccc2c(c1)nc3cccc(c3n2)C(=O)[O-] CPD-9522 c1c(c(nc(=O)n1C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O)N)CO DEOXY-HYDROXYMETHYLCYTIDINE-DIP C[C@H]1C[C@H]1C2=N[C@@H](CS2)/C=C\CC/C=C/C=C(\C)/CC[C@H](CC=C)OC CPD-10377 CCCI CPD-2061 CS(=O)CCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O 3-METHYLSULFINYLPROPYL-GLUCOSINOLATE C/C(=C\CO)/CC/C=C(\C)/C=O CPD-9977 C[C@H]1CC[C@H](CC1=O)C(=C)C CPD-10040 CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10279 C[C@]1(CC2[C@]([C@@H](C1)OC3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)(CC[C@@]4(C2=CCC5[C@]4(CCC6[C@@]5(CC[C@@H]([C@@]6(CO)C)O)C)C)C)C)C CPD-9490 CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br CPD-10338 c1ccc(cc1)C(=O)NCCC[C@@H](C(=O)[O-])NC(=O)c2ccccc2 CPD-430 [Pd+2] PD+2 CC1(CC(c2c(cc(c(c2[O-])C(=O)/C=C/c3ccc(cc3)O)OC)O1)O)C CPD-7132 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C 44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET C[C@@]([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1occc1)(COP(=O)(OP(=O)(OC[C@@H]2O[C@@H](C(C2OP(=O)([O-])[O-])O)n3c4ncnc(c4nc3)N)[O-])[O-])C CPD-73 c1cnc(cc1C(=O)[O-])C(=O)[O-] CPD-7050 C[C@@H](CCC=C(C)C)CC=O CPD-7986 COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2c3c(c4ccccc4[nH]3)CC[NH2+]2)C=C)O STRICTOSIDINE-AGLYCONE COS(=O)(=O)C CPD-7038 c1c2c(ncn1)nc([nH]2)O CPD-9017 CCc1c(c([nH]c1CC2C(C3=C(N2)/C(=C\4/[C@H]([C@@H](C(=N4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)[O-])/[C-](C3=O)C(=O)OC)C)C=O)C CPD-7063 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CCC(=O)[O-])O)O 2-HYDROXYGLUTARYL-COA C[NH+]1CCC[C@@H]1c2ccc(nc2)O R-6-HYDROXYNICOTINE CCc1/c/2c/c3c(c4c(=O)[c-](c(c4n3)c5n/c(c\c6c(c(/c(/n6)c/c(c1C=O)n2)C=C)C)/[C@H]([C@@H]5CCC(=O)[O-])C)C(=O)OC)C CPD-7062 C=C[C@H]1C[NH+]2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC=O CPD-9851 CCCCCc1cc(c(c(c1)O)C2C=C(CC[C@H]2C(=C)C)C)O CPD-7173 c1ccc2c(c1)CC3C2O3 CPD-10096 COc1ccc2c(c1)OC(C(=O)N2[O-])OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 24-ETC-14-BENZOXAZIN-GLUCOSIDE C(C[C@H](C(=O)[O-])[NH3+])C[C@H](C(=O)[O-])[NH3+] C8 [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O CPD-8053 Cc1ccc(c(c1)O)C(=O)[O-] CPD-10575 C1=CC(=O)C(=O)C=C1CC[NH3+] CPD-8851 C[C@@]1(CC[C@H]2C(=CCC3[C@@]2(CCC[C@@]3(C)C(=O)[O-])C)C1)C=C CPD-8729 C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]([NH+]2C1)CC4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C CPD-9214 c1cc(cc(c1)O)C(=O)c2c(cc(cc2O)O)O 2346-TETRAHYDROXYBENZOPHENONE c1ccc(cc1)NC(=O)Nc2cnns2 THIDIAZURON COc1cc(c(c(c1O)CCCCCCC/C=C\C/C=C\CC=C)O)O CPD-10258 C(C1C(C(C(O1)O[As](=O)([O-])[O-])O)O)O RIBOSE-1-ARSENATE CCCCCCCCCCC/C=C\CCCCC(=O)[O-] CPD-8477 CC1(C=Cc2c(ccc3c2O[C@@H]4[C@H]3COc5c4ccc(c5)O)O1)C CPD-4884 C[Hg]Cl CPD-8865 C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)[NH2+]C)O 3-DEMETHYLSTAUROSPORINE c1cc2c(cc1OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC[C@@H]4[C@H]2Oc5c4cc6c(c5)OCO6 CPD-4222 Cc1cc(cc(c1)O)O ORCINOL-CPD CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC CPD-7758 COc1cc2ccc(=O)oc2cc1O SCOPOLETIN c1cc(ncc1C(=O)[O-])O 6-HYDROXY-NICOTINATE COC(=O)C/C(=C\C(=O)[O-])/C(=O)[O-] E-2-METHOXYCARBONYLMETHYLBUTENEDIOAT C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)[O-])O)C)C CPD-5846 CS(=N)(=O)CCC(C(=O)[O-])[NH3+] CPD-9035 C[C@H](CO)O CPD-8891 c1cc(ncc1C(=O)[O-])SSc2ccc(cn2)C(=O)[O-] CPD-7704 C(CC(O)(P(=O)(O)[O-])P(=O)(O)[O-])C[NH3+] ALENDRONATE c1c(cc(c(c1Cl)[O-])Cl)Cl TRICHLOROPHENOL c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)C(=O)[O-])O CPD-9759 Cc1c(cc(cn1)C(=O)[O-])O CPD-1071 CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O HEPTA-ACYLATED-LIPID-A CCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C DOLICHOL-GROUP C(CC[NH3+])CC(=O)C(=O)[O-] 2-KETO-6-AMINO-CAPROATE C1C(C(C(C(O1)(C=O)O)O)O)O CPD-9056 COc1cc(ccc1O)c2c(c(=O)c3c(cc(c(c3o2)OC)OC)O)OC CPD-7954 C[NH2+]CCCC[C@@H](C(=O)[O-])[NH3+] CPD-304 *[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OC2C(C(C([C@H](O2)CO)O)O)O)O)O NDP-HEXOSE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCC/C=C\C/C=C\CCCCC CPD-8302 COc1cc2c(cc1O)[C@H]([NH2+]CC2)Cc3ccc(cc3)O R-COCLAURINE c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)C(=O)[O-] CPD-8479 CCC[C@@H]1[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](c2nc(cs2)C(=O)N1)C)C(C)C)C)C(C)C)[C@@H](C)CC)C CPD-10404 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8283 CCCCCCCCCCCCCC(=O)OC(OC(=O)CCCCCCCCCCCCC)OP(=O)([O-])OCC[N+](C)(C)C DIMYRISTOYLPHOSPHATIDYLCHOLINE C(=C\C(=O)[O-])\C(=O)N MALEAMATE C1=N(c2c(c(=O)nc([nH]2)N)N1)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC(=O)[C@H]([C@@H]([C@H]([C@H](C=O)O)O)O)O)O)O CPD-10585 CC1=CC(C[C@@]([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)(C)C)O CPD-7413 C[C@@H]([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O D-FUCONATE CC(C)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O CPD0-1293 c1ccc2c(c1)-c3ccccc3C2=O 9FLUORENONE C(CCC[NH3+])CC[NH3+] CPD-7992 C1[C@@H]([C@H](O[C@H]1O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O DEOXYRIBOSE-TRIPHOSPHATE COc1cc(ccc1O)C(=O)[O-] VANILLATE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H](O[C@@H]([C@H](C2O)O)CO)O)O)O)O)O BETA-KOJIBIOSE C(=O)=S CARBONYL-SULFIDE CCCC(=O)N BUTYRAMIDE C/C=C/C/C=C/CCC(=O)C1C(O1)C(=O)N CPD-6901 C=C1CC1C(CC(=O)[O-])(C(=O)[O-])O CPD-9736 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC)CO)O)O)O)O)O CPD-8198 C(CO)[C@H]([C@@H]([C@H](C[C@H](C(=O)[O-])O)O)O)O CPD0-1197 c1ccc2c(c1)-c3c(cccc3O)C2=O 4H9FLUORENONE Cc1cccc(c1)/C=C(\CC(=O)[O-])/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)OP(=O)([O-])[O-])O 3-METHYLPHENYLITACONYL-COA C=C1CC1CC(C(=O)[O-])[NH3+] CPD-9699 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC CPD-7800 CCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O CPD-8354 C/C(=C/CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O)/CO CPD-4442 C[NH+]1CCc2cc(c(cc2[C@H]1Cc3ccc(cc3)O)O)OC S-N-METHYLCOCLAURINE CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC L-1-LECITHIN c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(cc5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)O)O)O)O)O)O)O CPD-1981 CC(C(=O)NC(CCC(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])OCC(C(C(Cn1c2cc(ccc2cc-3c(=O)[nH]c(=O)nc13)OP(=O)([O-])OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O CPD-10017 COc1ccccc1 CPD-395 CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-] CPD-8120 C/C=C/c1cc(ccc1O)OC CPD-9947 CI CPD-7676 c1c(cn(c(=O)n1)C2[C@H]([C@H]([C@H](O2)CO)O)O)F CPD0-1311 CCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8287 C(=C/[N+](=O)[O-])\C=C(/C(=O)[O-])\O CPD-9144 c1ccc2c(c1)oc-3cc(=O)c(=O)cc3o2 CPD-324 CC(=O)/C=C/c1ccc(cc1)O CPD-8636 CC1=C2CC(=O)OC(C2(CCC1C3(C(C(OC3CC(=O)[O-])(C)C)CC(=O)[O-])CO)C)c4ccoc4 DEOXYLIMONONIC-ACID-D-RING-LACTONE CCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8277 C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C=O)(C)C(=O)[O-] CPD1F-138 C[C@@H](C(=O)NCC(=O)[O-])[NH3+] ALA-GLY c1ccc(c(c1)[N+](=O)[O-])OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O CPD-9115 CC(=CCc1c(c(c(c(c1[O-])CC=C(C)C)OC)C(=O)/C=C/c2ccc(cc2)O)O)C CPD-7125 c1cc(c(cc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)Oc3cc(cc(c3O)O)c4c(cc5c([o+]4)cc(cc5OC6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)/C=C/c7ccc(c(c7)O)O)O)O)O)[O-])OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)O CPD-7965 c1cc(c(cc1[N+](=O)[O-])C=O)[O-] CPD-8877 *[NH2+]C(CCCC[NH3+])C(=O)[O-] CPD-8578 c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O PELARGONIDIN-3-GLUCOSIDE-CMPD C1CC(=O)CCC1C(=O)[O-] 4-OXOCYCLOHEXANECARBOXYLATE C\1[C@H](NC(=C/C1=C/C=N\[C@@H](CC2=CC(=O)C(=O)C=C2)C(=O)[O-])C(=O)[O-])C(=O)[O-] CPD-8672 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8341 c1ccc(cc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-] BENZOYL-L-ARGININE C(C[C@@](CC(=O)[O-])(C(=O)[O-])O)C(=O)[O-] HOMO-CIT c1cc(ccc1CCNC(=O)CC[C@@H](C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)C(CC([C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])O)OCc2cc(oc2)C[NH3+] CPD-7629 CCC(C)C(C(=O)[O-])N(O)O CPD-10272 c1ccc(cc1)C[C@H](CC(=O)[O-])C(=O)[O-] BENZYLSUCCINATE CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8386 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC(CO)O CPD-8086 C=CC1CC=CSS1 CPD-9296 c1cc2c(cc1O)c(c[nH]2)CC(=O)[O-] 5-HYDROXYINDOLE_ACETATE COC(=O)c1ccccc1 CPD-6441 C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC([C@@]4(C(=O)O3)C)O)C)C1)C=C CPD-9905 CN1C(COC1c2ccccc2O)C(=O)N(CCc3c[nH]cn3)O CPD-9989 C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)[O-])OC3C(C(C(C(O3)CO)O)O)O)O LOGANATE [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 CPD-6744 CCCCCCCCCCCCCCCCCCC/C=C/CCCCCCCC CPD-7931 c1c2c(cc(c1OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)/[N+](=C/C=C/4\C[C@H](NC(=C4)C(=O)[O-])C(=O)[O-])/[C@@H](C2)C(=O)[O-] CPD-8654 CCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCC/C=C/CCCCCCCCC)O CPD-9817 CC(C)Cn1c2c(c(=O)n(c1=O)C)nc[nH]2 CPD-5461 CC(=O)NCCCCC(C(=O)[O-])[NH3+] EPSILON-N-ACETYL-L-LYSINE CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O CPD0-1512 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OCC2C(C(C(C(O2)OP(=O)([O-])OC/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)O)O)O CPD1G-105 C([C@@H]([C@@H]1[C@@H](C(=O)C(=O)O1)O)O)O CPD-329 c1ccc(c(=O)cc1)[O-] CPD-7024 c1cc(ccc1C2C(Oc3cc(ccc3C2=O)O)O)O 2-HYDROXYISOFLAVANONE C[C@@H]1CCC([C@H]2[C@]13C2C(=C)CC3)C(C)C CPD-8803 [Hg] HG0 CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10269 c1ccc2c(c1)CC(=O)N2 CPD-6361 C=C(CCC(=O)[O-])C(=O)[O-] 2-CH2-GLUTARATE C(CSP(=O)([O-])[O-])[NH3+] CPD-3721 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H](C[C@H](O3)CO)O)N CPD-10129 CC(/C=C\C(=O)C(=O)[O-])O CPD-9166 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O CPD-8365 CC(C)CC(=O)Cc1cc(cc(=O)o1)[O-] CPD-7147 CC1=C[C@H]2[C@H](C2(C)C)CC1 CPD-4901 CC(Cc1ccc(c(c1)O)O)[NH3+] ALPHA-METHYLDOPAMINE c1cc(ccc1CNC2=Nc3c(=O)[nH]c(nc3NC2)N)C(=O)[O-] CPD0-1253 c1c(cc(cc1O)O)C(=O)[O-] CPD0-1274 CC(C)N(C(=O)C(=O)[O-])O CPD0-1218 CCCCCCCCC([C@H](CCCCCCCC(=O)[O-])O)O CPD-10515 C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CCC4[C@H](C)CCCC(C)C)C)C)C)O CPD-4182 C[C@@H](CC/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)\CC/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)CCOP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O CPD-175 COc1ccc2c(c1)O[C@@H]3[C@H]2COc4c3ccc(c4)O CPD-3402 CCC(=O)C MEK C(CCCC=O)CCCC(=O)[O-] CPD-8686 c1cc(ccc1/C=C/C=O)O COUMARALDEHYDE C[C@H]1[C@@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C CPD-2002 CC(=O)NCCCC[C@@H](C(=O)[O-])[NH3+] CPD-567 C/C=C\1/CC([C@@](C(=O)OCC2=CCN3(=O)C2[C@@H](CC3)OC1=O)(C)O)C CPD-8987 CC1=CC[C@H]2C[C@@H]1C2(C)C CPD-4892 CCCCCCCCCCCCCC/C=C/C/C=C/CCCCCCCC CPD-7928 COc1cc(cc(c1)O)O CPD-9494 C/C(=C\COP(=O)(OP(=O)([O-])[O-])[O-])/CC[C@@H]1[C@@]2([C@H]([C@@](CCC2)(C)C)CCC1=C)C CPD-4750 CCCCCCCCCCCC/C=C/CC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC(CO)O CPD-2186 CC(=C)[C@@H]1CC[C@](C(=O)C1)(C)O CPD-10057 CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C CPD-8965 c1c[nH]c2c1cc(c(c2)O)O DIHYDROXYINDOLE CC(C)O ISO-PROPANOL C1C2([C@H](C([C@H](O2)CO)O)O)OCC3(O1)[C@H](C([C@H](O3)CO)O)O ALPHA-D-FRUCTOFURANOSE-BETA-D-FRUCTO CC(=CCCCCC(=O)NCc1ccc(c(c1)OC)O)C CPD-9181 CCCCCCCCCCCCCCCCCCCCCC/C=C/CCC CPD-7908 c1ccc(cc1)CNc2c3c(ncn2)ncn3[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4607 c1c(cc(c(c1O)O)O)[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O CPD-7087 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O CPD0-1107 c1cc(c(c2c1c(=O)c3c(cc(cc3o2)[O-])O)O)O CPD-6886 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O UDP-ACETYL-ETCETERA-BISSULFATE [C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] 5-DIPHOSPHO-1D-MYO-INOSITOL-12346P CC(CCCC(C)(C)O)C1CCC\2C1(CCC/C2=C\C=C/3\CC(C[C@@H](C3=C)O)O)C CALCITRIOL c1ccc2c(c1)c(c[nH]2)CC(=O)NC(CC(=O)[O-])C(=O)[O-] INDOLE-3-ACETYL-ASP C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)O)C CPD-7274 C[C@]12CCC[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])OC2=O C19SKELETON N(=N/O)\O CPD-1541 CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8372 CC1=C(C(CC(C1)O)(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(=O)CCC2(C)C)C)/C)/C CPD-7861 COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)/C=C/CO CPD-1777 C/C(=C\COP(=O)(OP(=O)([O-])[O-])[O-])/CC[C@H]1[C@@]2([C@H]([C@@](CCC2)(C)C)CCC1=C)C CPD-8719 c1cc2c(cc1O)O[C@@H]3[C@H]2COc4c3ccc(c4)O CPD-4402 C(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])[NH3+] CPD-480 C[NH2+]CCCC(=O)c1ccc(=O)[nH]c1 CPD-107 C[C@H]1[C@H](C[C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O CPD-9391 CCCC1C(=O)C(=C(O1)C)[O-] CPD-10210 C(CCCS)CCC(=O)[O-] CPD-349 CC1=C(C(=O)c2ccccc2C1=O)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 CPD-9718 C(COP(=O)([O-])[O-])O CPD0-1457 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)OP(=O)([O-])[O-])C(=O)[O-])O)O CPD-510 CC1CC=N[C@H]1C(=O)NCCCC[C@@H](C(=O)[O-])[NH3+] CPD-3321 CCS(=O)(=O)[O-] CPD-10434 C[C@@]1([C@H]2[C@@H]([C@@]34C[C@@H](CC[C@H]3C2=CC(=O)[C@@H]1O)C(=C)C4)C(=O)[O-])C(=O)[O-] CPD-632 C(CS)[C@H](C(=O)[O-])[NH3+] CPD-8826 CCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O HEXANOYL-COA CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8315 COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(c(c3C[C@@H]5[C@@H]2C(=O)OC5)O)OCO4 CPD-8960 C[N+]1=C(c2cc(c(cc2CC1)OC)O)Cc3ccc(c(c3)O)OC 12-DEHYDRORETICULINIUM [C@H]1([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])O)O D-MYO-INOSITOL-13-BISPHOSPHATE CSCC(=O)[O-] S-METHYLTHIOGLYCOLATE CC(C)CC(=O)[O-] ISOVALERATE C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CPD-7282 C(=C/Cl)\Cl TRANS-12-DCE CC(=CCc1c(ccc2c1O[C@@H]3COc4cc(c(cc4[C@@H]3C2=O)OC)OC)[O-])C CPD-9534 CCC(C(=O)[O-])[NH3+] CPD-3686 CC(=O)Oc1ccccc1C(=O)[O-] CPD-524 CC(=O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ACETYL_AMP CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC4(CCCCC4)O)O CPD-625 *C(=O)NC(CSO)C(=O)N* CPD-7251 C[NH2+]CCOP(=O)([O-])[O-] CPD-406 CC(C)C1CC[C@@]2([C@@H]3[C@H]1C2C(=C)CC3)C CPD-8740 COc1ccc2c(c1)OC(C(=O)N2OC)OC3C(C(C(C(O3)CO)O)O)O CPD-6561 COc1cc(cc(c1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC(=O)/C=C/c3cc(c(c(c3)OC)O)OC)CO)O)O 12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE C[C@H](C(=O)[O-])O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3CCC(=O)NC3=O)O)O)NC(=O)C CPD0-1337 CCCCCCCCCCc1cc(c2ccccc2n1=O)O CPD-7734 CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-7829 C([C@H](C=O)O)[C@@H](C(=O)[O-])[NH3+] L-4-HYDROXYGLUTAMATE_SEMIALDEHYDE CC(=O)NCCCC[NH2+]CCC[NH3+] CPD-3462 c1ccc-2c(c1)Cc3c2cccc3 FLUORENE CCCCCCCCCCCCCCCCCCCC/C=C/CCC CPD-7910 c1cc(ccc1[C@H](C(=O)[O-])N2C[C@@H](C2=O)NC(=O)[C@@H](c3ccc(cc3)OCC[C@@H](C(=O)[O-])[NH3+])[NH3+])O CPD-9416 [O-]S(=O)(=O)SSS(=O)(=O)[O-] CPD-14 COc1cc(cc(c1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C(=O)[O-] 1-SINAPOYL-D-GLUCOSE C[C@@H](CP(=O)(O)[O-])O CPD-9465 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-] CPD-8513 C/C=C\C=C\C=C\C(OOC(/C=C/C=C/C=C\C)CCCCCCCc1c(c(ccc1)O)O)CCCCCCCc2c(c(ccc2)O)O CPD-9598 CC(C)c1c2c(c(c(c1OC)[O-])C=O)C(=O)C3CC(=CCC3(C2=O)C)CCC=C(C)C CPD-9746 C(CS(=O)(=O)[O-])NC(=N)[NH3+] TAUROCYAMINE C[C@H](CCC[C@@H](c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2=O)[O-])O)O CPD-10165 C[C@@H](CC/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)\CC/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)CCOP(=O)([O-])O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C CPD-167 CC(=O)NCCCC(=O)[O-] CPD-35 Cn1cnc2c1c(=O)n(c(=O)[nH]2)C 1-7-DIMETHYLXANTHINE CC(=O)N(C)C CPD0-1232 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8325 C[C@@H]1[C@]23C(=C([C@@]([C@H](C2)CC3)(C)C)C)C(=O)C1 CPD-9962 c1cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OCO5)O CPD-3942 c1ccc(cc1)CNC=O CPD-7268 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC(C4O)O)O CYCLOHEX-13-DIENE-56-DIHYDROXY-1-CARBO CCCC/C=C/C=C/C=C\CCCCCCCC(=O)[O-] CPD-8231 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(/CCC=C(C)C)\C)\C)\C)/C)/C CPD1F-126 C[NH+](C)CCc1c[nH]c2c1cc(cc2)O BUFOTENINE Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-] CPD-9133 CC(C)C1=CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)C(=O)[O-])C CPD-8708 c1cc(cc(c1)O)CNc2c3c(ncn2)NCN3 M-TOPOLIN Cc1cc(ccc1O)Cl CPD-10615 CC(=O)NC(Cc1ccc(cc1)OC)C(=O)NC2[C@H](OC([C@@H]2O)[n@@]3cnc4c3ncnc4N(C)C)CO CPD-10091 C(Cl)(Cl)Cl CPD-8214 CCNC(=O)CCC(C(=O)[O-])[NH3+] THEANINE C(CCCCCC(=O)O)CCCCC(=O)O CPD-10670 CCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10262 c1cc(ccc1NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-] CPD-9385 c1cc(ccc1CCNC(=O)CC[C@@H](C(=O)[O-])NC(=O)CC[C@H](C(=O)[O-])[NH3+])OCc2cc(oc2)C[NH3+] CPD-7647 c1ccc2c(c1)c(c[nH]2)C/C(=N\O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-1862 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O NARINGIN C=Cc1ccncc1 CPD-5542 C(=O)[C@@H]1[C@H]([C@@H]([C@@H](C(=O)O1)O)O)O CPD-526 [C@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O D-TARTRATE C1C(ON=C1Cl)C(C(=O)[O-])[NH3+] CPD0-1036 C\1=C(C(=O)O/C1=C(\C(=O)[O-])/Cl)Cl CPD-10636 C1[C@@H]([C@H]([C@@H](C(O1)(CO)O)O)O)O CPD-9569 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO[C@H]2[C@@H]([C@H](C([C@H](O2)CO)OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O CPD0-1280 CC1=CC[C@@H](CC1)C(=C)C CPD-8785 C1CCC(CC1)N=C=NC2CCCCC2 CPD-10322 C[C@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])OC2=O)O CPD-6975 [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 CPD-6781 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OCC(C(=O)[O-])OP(=O)([O-])[O-])O)O)N 3-ADP-2-PHOSPHOGLYCERATE C[C@H]1C2C3CCC4[C@]5(CC[C@@H](C(C5CC[C@]4([C@@]3(CC[C@]2(CCC1=C)C)C)C)(C)C)O)C CPD-6949 c1c(coc1C=O)COP(=O)([O-])[O-] CPD-7643 C(CCCCNC(=[NH2+])N)CCC[NH2+]CCCCCCCCNC(=[NH2+])N GUAZATINE COc1ccc(cc1)c2coc3cc(ccc3c2=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O CPD-4562 CC(=O)C(C)(C)O CPD-10354 CC1=CCC2(CC1)C(=CCCC2(C)C)C CPD-8245 Cc1/c/2c/c3n/c(c/4\c5c(cc/6n5[Mg]n2/c(/c1C(=O)C)c\c7n/c(c6)/C=C7C)C(=O)C4)/[C@H]([C@@H]3C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9093 [Cl-].[Cl-].[Cd+2] CPD0-1355 C[C@H]([C@H](/C=C/c1csc(n1)c2csc(n2)C(C)/C=C/C=C/C(C)C)OC)/C(=C\C(=O)N)/OC CPD0-1244 C[C@H]([C@H](C)O)C(=O)OCc1ccccc1 BENZYL-2R3S-2-METHYL-3-HYDROXYBUTANOA CC(=O)NC1[C@H](C[C@]2(O[C@H]1C(O2)[C@@H](CO)O)C(=O)[O-])O CPD-6182 CO[C@@H]1[C@H]([C@H]([C@@H]([C@@H]([C@H]1O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O CPD-8047 C[C@@H](CC(=O)[O-])O CPD-1843 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OCC(COP(=O)([O-])[O-])O)O)O)O)O CPD-449 C1[C@@H]([C@H](N1C[C@@H]([C@@H](C(=O)[O-])[NH2+]CC[C@@H](C(=O)[O-])O)O)C(=O)[O-])O CPD-7289 c1ccc2c(c1)ccc(n2)O QUINOLIN-2-OL 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 CPD-7847 CCC1/c/2c/c3c(c4c/5n3[Zn]n\6/c(/cc(/c6c/c(n2)C1C)C(=O)C)c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C CPD-9104 CC1C(=O)NC(=O)N1 DL-5-METHYLHYDANTOIN C(CCCCC(=O)[O-])CCC/C=C\C=O CPD-9839 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8376 CC[C@]12CC(=C3[C@@]4([C@H]1[NH+](CC4)CC=C2)c5ccc(cc5N3)OC)C(=O)OC CPD-7164 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC CPD-8080 c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)C(=O)[O-] DINITRO-4-HYDROXYPHENYLPYRUVATE CC1=C([C@@](C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C23OC2(C[C@H](C[C@]3(C)C)O)C)\C)\C)/C)/C CPD1F-131 C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C CPD-287 C(CC[NH+]=C(N)N)CC(=O)[O-] CPD-6942 CC(=C)CCOP(=O)([O-])OP(=O)([O-])[O-] DELTA3-ISOPENTENYL-PP C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC(CO)O)O)O)O)O 3-B-D-GALACTOSYL-SN-GLYCEROL c1cc2c(c(c1)O)NC(=O)C2CC(=O)[O-] 7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID CC/C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H](C(O1)[n@@]2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O Z-11-TETRADECENOYL-COA C(CONC(=[NH2+])NC(CC(=O)[O-])C(=O)[O-])C(C(=O)[O-])[NH3+] CANAVANINOSUCCINATE C[C@@H]1[C@](C[C@H]([C@@H](O1)O)O)([C@@H](C)O)O CPD-9397 Cc1cc(cc(c1O)O)O CPD-616 C[NH+]1CCC(C1)CC(=O)CC(=O)OC CPD-9773 c1cc(c(cc1O)O)C2COc3cc(cc(c3C2=O)O)[O-] CPD-6646 C[C@]1([C@@H]2[C@]([C@H]3C(=C[C@](CC3)(C=C)C)CC2)(CCC1)C)C CPD-7097 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)O)O CPD0-1321 CC1(C2CC(=O)C1(CC2=O)C)C CPD-864 CN(C)C=O CPD-581 C[C@H]1CCC(=C(C)C)[C@H]([C@]1(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCC=O CPD-10285 C[C@]1(O[C@H]([C@]2([C@H]1CC(=O)[C@@]3([C@@H]2CC[C@]([C@@]34O[C@@H]4C(=O)[O-])([C@@H](O)c5cocc5)C)C)CO)CC(=O)[O-])C LIMONOATE C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O)O)OP(=O)([O-])[O-] D-BETA-D-HEPTOSE-17-DIPHOSPHATE CCCCC/C=C\C=C\C=C\CCCCCCC(=O)[O-] CPD-8228 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSSC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+])O CPD-322 CC(=CCCC(=C)C=C)C CPD-4888 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8336 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9970 COc1cc(ccc1C(=O)/C=C/c2ccc(cc2)O)O CPD-3361 C(CS(=O)(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CPD-3739 Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)O)O)O)O DTDP-D-FUCOSE CCCCCCCCC CPD-9284 Cc1cc2c(c(c(c(c2C(C)C)O)O)C=O)c(c1c3c(c4c(cc3O)c(c(c(c4C(C)C)O)O)C=O)C)O CPD-9526 C[C@]1(CC2[C@]([C@@H](C1)O)(CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CCC([C@@]5(CO)C)OC6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)C)C)C)C)C CPD-9489 COc1cc(ccc1O)/C=C/CO CONIFERYL-ALCOHOL COc1cc(ccc1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCCO CPD-82 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9649 CC(C1C(=CC(=O)O1)Cl)C(=O)[O-] CPD-10652 Cc1cc(c(c2c1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O BETA-TOCOPHEROL CN(C)c1c2c(ncn1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)NC(=O)C(Cc4ccc(cc4)O)[NH3+])O O-DEMETHYLPUROMYCIN CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8394 CC(=CCc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)OC)OC)C CPD-7122 C/C=C\1/CN2[C@H]3Cc4c5ccccc5[nH]c4C2C[C@H]1C3C=O VELLOSIMINE Cc1cc(cc(c1)CO)C 35-DIMETHYLBENZYL-ALCOHOL CCC1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CCCC(C)CC/C=C(\C)/CCC=C(C)C)/c(c(/c6c/c(n2)C1C)C(=O)C)C)C CPD-9089 c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O CPD-10411 [B-] BOROHYDRIDE C[C@H](C(=O)[O-])OP(=O)([O-])[O-] R-PHOSPHOLACTATE CCC(=C(C)C)CC[C@@H](C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-4142 [C@H]([C@H](C(=O)[O-])O)(C(=O)[O-])[NH3+] CPD-655 c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)c5cc(c(c(c5)O)O)O)O 1236-TETRAKIS-O-GALLOYL-BETA-D-GLUCOS *C(=O)* DIALKYLKETONE-CPD c1cc(ccc1/C=C/C(=O)c2c(cc(cc2OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O CPD-8062 c1c(cc(c(c1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)c4c(cc5c(cc(cc5[o+]4)O)[O-])OC6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)CC(=O)[O-])O)O)O CPD-7864 C(C(=O)CBr)Br 13-DIBROMOPROPAN-2-ONE C[C@@]1([C@@H]([C@@H]2C=C3[C@@]([C@@H](C4=N3[Ni+]56N2=C1CC7N5=C(C=C8N6C(=C4)C([C@@H]8CCC(=O)[O-])CC(=O)[O-])C([C@@H]7CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])(C)CC(=O)N)CCC(=O)[O-])CC(=O)N CPD-7591 CC(=C)[C@@H]1CCC2([C@@H](C1)O2)C CPD-10139 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 CPD-7237 CC(=O)NC(Cc1ccc(cc1)O)C(=O)NC2[C@H](OC([C@@H]2O)[n@@]3cnc4c3ncnc4NC)CO CPD-10083 c1cncc(c1O)O DIHYDROXYPIRIDIN-CPD Cc1cc2c(cc1O)c(c(cc2C(C)C)O)C CPD-9752 CC1=NCCc2c1[nH]c3c2ccc(c3)OC CPD-9939 COc1ccc(cc1)C2CC(=O)c3c(cc(cc3O2)[O-])O CPD-7080 COc1cc(ccc1[n+]2nc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccccc4)c5ccc(c(c5)OC)[n+]6nc(nn6c7ccc(cc7)[N+](=O)[O-])c8ccccc8 CPD-8129 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O)F)O)O)O CPD0-1053 CCCCCCC=O CPD-7620 CC1C2C(=O)NC(C3=NC(CS3)C(=O)NC(c4nc(cs4)C(=O)NC(C(=N2)O1)C(C)C)Cc5ccccc5)C CPD-10390 Cc1ccc(cc1)C(C)C CPD-1001 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7815 CC(C)C(C(=O)[O-])NC(=O)Cc1c[nH]c2c1ccc(c2)O CPD-9583 C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)\C CPD-8667 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8328 CCCCC/C=C\CC1C(O1)/C=C/C(C/C=C\CCCC(=O)[O-])O CPD-2044 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)O)/C)/C)/C)/C)/C)C 2-HEXAPRENYL-6-METHOXY-14-BENZOQUINOL 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 CPD-10534 c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccc(cc4)O)Cc5ccccc5 RENILLA-LUCIFERIN C(#N)C(C(=O)[O-])N CPD0-1336 c1cc(c2c(c1)oc3c(c2=O)c(cc4c3[C@@H]5C=CO[C@@H]5O4)O)O 6-DEMETHYLSTERIGMATOCYSTIN CC(=NO)C ACETONE-OXIME c1cc(ccc1CCC(=O)c2c(cc(cc2O)O)O)O PHLORETIN c1c2c(nc[nH]2)nc(n1)O CPD-9023 C1C=C(C(=O)[C@H]([C@@H]1CO)O)[O-] HYDROXYMETHYL-ETCETERA-DIHYDROXYCYCLOHEX c1cc(ccc1/N=N/c2c(cc3c(c2N)C(C(C(=C3)S(=O)(=O)[O-])/N=N/c4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-] CPD-10475 c1cc(ccc1C(C[NH3+])O)O CPD-58 C/C=C(/CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)\C(C)C CPD-8507 c1ccc(cc1)COC(=O)CCc2ccc(cc2)OC(=O)[C@H]3CCC(CC3)C[NH3+] CETRAXATE-BENZYL-ESTER C([C@H]1[C@H]([C@@H](C(=O)O1)O)O)O L-XYLONO-14-LACTONE CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8158 CCCCC/C=C/C/C=C/CCCCCCCCCCCCCCCC=O CPD-8466 CC(=O)OC(C)(C)CCC(=O)[C@@](C)(C1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3(C2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O CPD-5205 CCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8435 Cc1c2/cc\3/c(c(c(n3)c4[c-](c(=O)c5c4[nH]/c(/c5C)c\c6c(c(/c(/n6)c/c(c1C=C)[nH]2)C)C=C)C(=O)OC)/C=C/C(=O)[O-])C CPD-10337 COc1c2c(c(c(c1OC)OC)OC)C(=O)c3c(cccc3O)C2=O CPD-9622 C(=O)C(C1C(C(C(=O)O1)O)O)O D-GLUCURONOLACTONE c1cc2c(cc1O)OC[C@H](C2=O)c3cc4c(cc3O)OCO4 CPD-3630 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O CPD-3742 CC1=C(C(=O)c2ccccc2C1=O)CCC(C)CC/C=C(\C)/CC/C=C(\C)/CCCC(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9850 CCCCCCCCCCC/C=C/CCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)([O-])[O-] CPD-8369 C(C(C[NH3+])CF)[NH3+] CPD0-1239 C(C=N(=O)[O-])C(=O)[O-] CPD-321 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O CPD-10329 CC(C(=O)C1=NC2C(=NC(=O)NC2=O)NC1)O CPD-1127 C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCC(C(=O)O)N)C(=O)N[C@H](C)C(=O)O)N CPD0-1182 CCCCCCCCCCCCCCCCCCCCCC/C=C/CC(=O)C CPD-8492 c1ccc2c(c1)c(c[nH]2)C(=O)C(=O)[O-] INDOLE-3-GLYOXYLATE c1cc(c(cc1CC(=O)C(=O)[O-])O)O 34-DIHYDROXYPHENYLPYRUVATE C1=C[C@@]([C@H](C=C1C(=O)[O-])O)(C(=O)[O-])O CPD-1943 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CC=O THIAMINE-ALDEHYDE c1cc(c(cc1N)O)C(=O)[O-] CPD-8817 Cc1ccc2ccccc2n1 CPD-5944 c1ccc2c(c1)c(c[nH]2)CC(=O)O[C@H]3[C@H]([C@H]([C@@H]([C@H]([C@@H]3O)O)O[C@@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O INDOL-YLACETYL-MYO-INOSITOL-ARABINOSIDE C([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)COP(=O)([O-])[O-])O)O)O)O CPD-507 CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc[nH]c3=O)O)O 5-METHYLTHIOINOSINE COc1cc2c(c3c1c(=O)c4c(cccc4o3)O)C5CCOC5O2 CPD-4587 COc1cc(c2c(c1)O[C@@H](CC2=O)c3ccc(cc3)O)O CPD-7079 COc1ccc2c(c1OC)CN3CCc4cc5c(cc4[C@H]3C2)OCO5 R-CANADINE c1ccc2c(c1)C(=O)C(C2=O)(O)O CPD-9188 CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@](C3CC2)(C)C(=O)[O-])C CPD-8717 C/C(=C/C=C(\C(=O)[O-])/N)/C(=O)[O-] CPD-9150 [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 CPD-6681 Cc1cc(ccc1OC2[C@H]([C@H]([C@H]([C@@H](O2)COC(=O)/C=C/c3ccc(c(c3)OC4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O)O)/C=C/C(=O)OC[C@H]5[C@@H]([C@@H]([C@@H](C(O5)OC6=Cc7c(cc(cc7O=C6c8ccc(c(c8)OC)O)O)O)OC9[C@H]([C@H]([C@H]([C@@H](O9)COC(=O)/C=C/c1ccc(c(c1)OC1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O CPD-7840 CC1=C[C@H]2[C@H](CC1)C(=CC[C@H]2C(C)C)C CPD-8799 [C-2](Cl)Cl CPD-8225 C(=O)(N)NO HYDROXY-UREA CC1=C[C@@H]2[C@@H](C2(C)C)CC1 CPD-8771 C(COP(=O)([O-])OC[C@H](C(=O)[O-])[NH3+])NC(=[NH2+])N LOMBRICINE CC/C=C\C/C=C\C=C\C(CCCCCCCC(=O)[O-])OO CPD-8678 C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H](CO)C(=O)[O-])O)O)O)OP(=O)([O-])[O-] CPD0-1063 CCCCCCCCCCCCCC(=O)[O-] CPD-7836 [Cr+2] CR+2 Cc1cc2c(c(c(c(c2C(C)C)OC)O)C=O)c(c1c3c(c4c(cc3O)c(c(c(c4C(C)C)OC)O)C=O)C)O CPD-9527 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)[O-])O)O CPD-7102 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)O)/C)/C)/C)/C)/C)/C)C CPD-9854 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8081 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O)O CPD-7630 c1[nH+]c2c(c(n1)N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(NP(=O)([O-])[O-])[O-])O)O CPD0-1054 CCCCCC/C=C\C=C\CCCCCCCCCC(=O)[O-] CPD-9844 C1CCC(CC1)NC=O N-CYCLOHEXYLFORMAMIDE c1cc(c(cc1C(C=O)O)O)O DIHYDROXYPHENYLGLYCOLALDEHYDE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)[NH3+])O)O UDP-D-GALACTOSAMINE C(CC(=O)C(=O)[O-])CO CPD-9727 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)[O-])O)O CPD-36 c1ccc(cc1)[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O CPD-6992 COc1c(cc2c(c1O)C(=O)c3c(ccc(c3C2=O)O)O)O CPD-9620 CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](/C=N\[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CCC(=O)N)Cc3ccc(cc3)O)Cc4ccc(cc4)C)C)CO CPD-10374 C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]([NH+]2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C CPD-9217 CC(=CCc1cccc2c1c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+])C CPD-460 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC[NH3+])O 4-AMINOBUTANOYL-COA C1CCNC(=O)CNC(=O)C(CSSC[C@@H](C(=O)NCC(=O)NCCC[NH2+]C1)NC(=O)CC[C@@H](C(=O)[O-])[NH3+])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] TRYPANOTHIONE-DISULFIDE C[C@@H]1[C@@H](C([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)O)O)O CPD-10542 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCC=C4)O CYCLOHEXA-15-DIENE-1-CARBONYL-COA c1c(cc(c(c1O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3c(cc4c([o+]3)cc(cc4OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[O-])OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O CPD-7966 c1[nH+]c(=O)c2c([n-]1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O CPD0-919 CC(=C[C@H](CC(=C)C=C)O)C CPD-8834 COc1c2c(c(c(c1[O-])OC)O)C(=O)c3cccc(c3C2=O)O CPD-9630 CC(=O)N[C@@H](CCC=O)C(=O)[O-] CPD-469 C[C@@H](C1[C@@]2([C@](C3C4(C5(C4)[C@H]([C@@]([C@H](CC5)O)(C)C)CC3)CC2)(CC1)C)C)CC[C@H](C(=C)C)C 24R-24-METHYLCYCLOARTA-825-DIEN-3-BET CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(=O)([O-])[O-])OC4[C@H]([C@H]([C@@H](C(O4)[C@H](CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)O)O)OC6(CC(C(C(O6)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]7[C@H]([C@@H]([C@H]([C@H](O7)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-933 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]([C@H](C(=O)CO)O)O)O)O UDP-D-XYLULOSE C(C[C@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N CPD-220 *C(=O)N[C@@H](CO[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[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)CO)O)O)NC(=O)C)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O GLOBOTETRAOSYLCERAMIDE CNC(=O)CCC(=O)C(=O)[O-] CPD-579 CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O CPD-3570 Cc1cc2ccccc2[nH]c1=O CPD-963 CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)[O-] PRISTANATE CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O OH-HEXANOYL-COA c1c2cc(cc(c2c(cc1O)O)O)O TETRAHYD-CPD 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[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@@H]4C[C@@H]([C@H]([C@H]([C@H]4O)O)O)C DEMETHYLMACROCIN CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O CORTICOSTERONE CN1CC(=O)NC1=O N-METHYLHYDANTOIN COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])[NH3+] CPD-5583 C(CC(=O)[O-])C(C(=O)C(=O)[O-])C(=O)[O-] OXALO-GLUTARATE CC(=O)Oc1cccc2c1cccc2 ALPHA-NAPHTHYL-ACETATE c1cc(ccc1c2cc(=O)c3c(cc(cc3o2)[O-])O)O CPD-431 COc1cc(ccc1O)/C=C/C(=C/C(=O)/C=C/c2ccc(c(c2)OC)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)CO)O)O)O)O)O)O)/O CPD-6624 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)(C)C(=O)[O-] 3-OXOGLYCYRRHETINATE C(O)[C@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)OC[C@H]2O[C@@H]([C@@H]([C@H]([C@H]2O)O)O)OC[C@H]3O[C@@H]([C@@H]([C@H]([C@H]3O)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@H]([C@@H]4O)O)O)O)O CPD-8255 C1(=O)C(=O)NC(=O)N1 CPD-3685 Cc1/c/2c/c3n/c(c\c4c(c(c/5n4[Mg]n2/c(/c1C=C)c\c6n/c(c5)/C(=C6C)C=C)C)C(=O)CC(=O)OC)/C(=C3C)CCC(=O)[O-] 131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M CCCCCCCCCCCCC/C=C/C(C(CO)NC(=O)CCCCCCCCC/C=C\CCCCCC)O CPD-9814 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)O)O)O)O CPD1G-774 c1ccc2cc3c(cc2c1)C=CC(C3O)O CPD-8820 CC(=CCc1cccc2c1c(c[nH]2)C[C@H]3C(=O)/C(=C(\C)/[O-])/C(=O)N3)C BETA-CYCLOPIAZONATE CCCC(CCC)C(=O)N CPD-10097 C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O CPD-10330 C1CNCC[NH2+]1 PIPERAZINE C/C=C/S[S+](/C=C/C)O CPD-9306 [Li+] LI+ C[NH2+]CCCC[NH3+] CPD-394 CC1CCCC(C1)O CPD-10086 C([C@@H](COP(=O)([O-])[O-])O)O SN-GLYCEROL-1-PHOSPHATE [C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O)O)O CPD-8054 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1[NH3+])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C[NH3+])O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)[NH3+])O)[NH3+] CPD-4821 CC(=O)C(=O)[C@@H](CO)O DIHYDROXYPENTANEDIONE CC(=CCC/C(=C/CC/C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)\C)/C)/C)C CPD-7526 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)OP(=O)([O-])OCC[NH3+])O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O PHOSPHATIDYLETHANOLAMINE-KDO2 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4CCCCC4)O CYCLOHEXYLCARBONYL-COA CC1C(=O)C(=C(O1)C)[O-] CPD-10198 CC1=C(C(=O)c2ccccc2C1=O)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)/CC/C=C(\C)/CCC=C(C)C CPD-9720 CCC/C=C\[C@@H](/C=C/C=C\CCCCCCCC(=O)[O-])OO CPD-59 C[C@H](CCC[C@@H](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)C=O 3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)[O-])O)O)O)O)O UDP-SULFOQUINOVOSE c1cc(c(cc1CC(C(=O)[O-])[NH3+])F)O CPD0-923 CC(=O)C1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C CPD-272 COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)[O-])O CPD-7072 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 CPD-5561 CC(=CCC/C(=C\C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)/CC(=O)[O-])C CPD-76 CC(=O)N[C@@H](CS)C(=O)[O-] CPD-9175 [O-]S(=O)(=O)[O-].[Pb+2] CPD-530 C[C@@H]1Cc2cc(cc(c2C(=O)O1)O)O 6-HYDROXYMELLEIN Cc1c(c(c(cn1)C=O)C(O)O)O CPD-9026 c1cc(ccc1NC(=O)C(CCCCN)N)[N+](=O)[O-] CPD-7684 c1cc(ccc1N2C3C4CC(C3N=N2)C5C4N=N5)Cl TETCYCLACIS 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 CPD-90 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCC CPD0-1423 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO CPD-7876 C(C[C@@H](C(=O)O)N)C/N=C(\N)/N[N+](=O)[O-] N-NITROARGININE c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N(CC2=Nc3c(=O)[nH]c(nc3NC2)N)C=O CPD-212 c1ccc2c(c1)[C@H]([C@H](N2)O)O CPD-10523 C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])C=O)C(=O)[O-] CPD1F-96 C/C(=C\C=C\C=C(\C=C\C=C(\C=C=C1[C@@](C[C@H](C[C@]1(C)C)O)(O)C)/C)/C)/C=C/C=C(/C=C/C23OC2(C[C@H](C[C@]3(C)C)O)C)\C CPD1F-135 CC(=O)CCc1ccc(cc1)O CPD-8647 C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])COC(=O)N CPD-9124 C(CCNC(=O)N)C[C@@H](C(=O)[O-])[NH3+] CPD-161 CC(CCCC(C)CCC=C(C)C)CCC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C CPD-7003 C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C CPD-713 c1ccc(cc1)C[C@@H](C(=O)[O-])ON CPD-7021 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC4[C@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N CPD-7078 C(CCC(=O)[O-])C/C(=C/C(=O)[O-])/C(=O)[O-] CPD-319 C=C1CC1C(=O)C(=O)[O-] CPD-9735 C(C(C(=O)NCC(=O)[O-])[NH3+])S CYS-GLY Cc1c(c(c(c(c1O)OC)O)O)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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9873 COc1cc(cc(c1)O)CCc2ccccc2 CPD-6965 c1cc(c(cc1C[NH3+])O)O CPD-7667 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C CPD-7895 CC([C@@H](C(=O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N)O CPD-9994 c1cc2c(c(c1)O)c(c[nH]2)C/C(=N/OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 4-HYDROXY-3-INDOLYLMETHYL-GLUCOSINOLATE C[C@@]12CC[C@@H](C1(C)C)CC2O CPD-1903 CC(=CCC/C(=C/Cc1c(cc(c(c1O)C(=O)/C=C/c2ccc(cc2)O)O)[O-])/C)C CPD-7123 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)CC(C(=O)[O-])[NH3+])CO)O[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[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)O)NC(=O)C)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)NC(=O)C)O)O)NC(=O)C)O N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12 C[NH2+]Cc1c[nH]c2c1cccc2 CPD-8914 c1ccc2c(c1)c(c[nH]2)C/C(=N/O)/[S-] CPD-1861 c1ccc(cc1)C(=O)Nc2cc(ccc2C(=O)[O-])O N-BENZOYL-4-HYDROXYANTHRANILATE *C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] N-ACYL-D-GLUTAMATE CC(=CCC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C)/C)C CPD-9915 CC1=CC=C(CC1)C(C)C CPD-8735 c1cc(ccc1/C=C/C(=O)O[C@@H]2CC(C[C@H](C2O)O)(C(=O)[O-])O)O 4-COUMAROYLQUINATE [O-]S(=O)S(=O)[O-] HYDROSULFITE CCCCCCCCCCCCCCCC(=O)N CPD6666-3 C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])CNC(=O)N CPD-10483 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8318 C[C@H]1CC[C@H](C[C@@H]1O)C(=C)C CPD-10029 CCC[C@@H](CC(=O)OCC)O ETHYL-S-3-HYDROXYHEXANOATE C1CCC(=O)OC(C1)O 6-HYDROXYHEXAN-6-OLIDE COc1ccc(cc1O)C=O CPD-8489 C[NH2+][C@@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC CPD-9787 c1cc(c(cc1Cl)C(=O)[O-])O CPD-10663 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])OCC[N+](C)(C)C CPD-8090 c1ccc(cc1)C(=O)N[C@H](CCCNC(=[NH2+])N)C(=O)Nc2ccc(cc2)[N+](=O)[O-] N-BENZOYL-D-ARGININE-4-NITROANILIDE C/C/1=C\CCC(=C)/C=C/C(CC1)[C@@H](C)C CPD-9370 CCC1/c/2c/c3c(c4c([nH]3)/c(c/5\nc(/cc\6/c(c(/c(/[nH]6)c/c(n2)C1C)C(=O)C)C)[C@H]([C@@H]5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)/[C-](C4=O)C(=O)OC)C CPD-9096 C[C@@H]1C2=C(C[C@H](O1)CC(=O)[O-])C(=O)c3cccc(c3C2=O)O CPD1A0-6117 CC(=CCc1c(cc(c2c1O[C@@H](CC2=O)c3ccc(cc3)O)O)[O-])C CPD-9440 CC(=CCc1c(ccc2c1oc(=O)cc2)O)C CPD-9838 C([C@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O CPD-3607 CC(=O)C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O CPD-7201 CC1=CCC[C@@]([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)(C)C CPD-7422 c1c2c(c(cc(=O)c1O)[O-])C(=O)OC2=O CPD-45 C=C/C=C(\C(=O)[O-])/O CPD-6761 c1cc(ccc1C2C(C(c3c(cc(cc3O2)O)O)O)O)O LEUCOPELARGONIDIN-CMPD CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC CPD-8260 C[C@@H](C(=O)[O-])OS(=O)(=O)[O-] CPD-542 c1ccc(cc1)c2cc(=O)c3ccc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O CPD-8153 CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4C=O)O)C)C CPD-8618 Cc1c(cc(cc1[N+](=O)[O-])NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-] CPD-10456 CCC\1=C(C=2=CC3C(=C(/C(=C/C4=NC([C@H]([C@@H]4C)CCC(=O)O)C5=C6=C(C(=C(N6)/C=C1\N2)C)C(=O)[C@@H]5C(=O)OC)/N3)C)C=C)C CPD-7061 CCC(C)C(=O)SCCC(CCCCC(=O)N)S CPD-941 Cc1cc(c2c(c1O)C(=O)c3cc(c(cc3C2=O)OC)OC)O CPD-9616 c1ccc(cc1)C(=O)OCCC/C(=N\OS(=O)(=O)[O-])/SC2C(C(C(C(O2)O)O)O)CO 3-BENZOYLOXYPROPYL-GLUCOSINOLATE CC(=O)n1cc(c2c1cccc2)O N-ACETYLINDOXYL CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O CPD-7881 c1ccc2c(c1)c(c[nH]2)CC(=O)NC(CCC(=O)N)C(=O)[O-] INDOLE-3-ACETYL-GLN CC(=O)C1C(CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O 16-ALPHA-HYDROXYPROGESTERONE CCCCC/C=C/CC=O C-3-NONENAL C(C(=O)NC(=O)N)C(=O)[O-] CPD-7299 C1CN(C1=O)[C@@H]([C@@H](CCNC(=[NH2+])N)O)C(=O)[O-] AMIDINOPROCLAVAMINATE c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OC[C@@H]([C@@H]([C@H]3[C@@H]([C@H](C[C@](O3)(C(=O)[O-])O)O)NC(=O)CO)O)O)O)O CPD-262 C(CCCCC(=O)[O-])CCCCO 10-HYDROXYDECANOATE C([C@@H]([C@H](C=O)O)O)C(=O)C(=O)[O-] CPD-37 CC(C)C1CC[C@]2([C@H]3[C@@H]1C2C(=C)CC3)C CPD-8802 C[N+](C)(C)[C@@H](Cc1c[nH]cn1)C(=O)[O-] NALPHANALPHANALPHA-TRIMETHYL-L-H C[NH2+]CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H](C(O1)[n@@]2ccc(nc2=O)N)O)O CDP-N-METHYLETHANOLAMIN CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC CPD-7785 CCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8438 CC(=O)N[C@H]1CCc2cc(c(c(c2-c3c1cc(=O)c(cc3)OC)OC)OC)OC CPD-9785 C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])C(=O)[O-])O)C(=O)[O-] CPD-6225 C=CC(=O)C(=O)[O-] 2-OXOBUT-3-ENANOATE C[N+]1=CCCC1 CPD-7994 CCCCCCCCC(C)CCCCCCCCC(=O)[O-] TUBERCULOSTEARATE C[C@@H]1CC[C@@H]2CC3=C(CC[C@]13C2(C)C)C CPD-8812 CC[C@H]1[C@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)[NH+]3[C@@H]1O)c6ccccc6N4C CPD-4242 c1ccc2c(c1)c3ccccc3s2 CPD-942 CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 3-OXOPALMITOYL-COA C(O)[C@@H](O)[C@@H](O)[C@H](O)CO CPD-355 c1nc2c(=O)[nH]c(nc2n1C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)N GUANOSINE_TETRAPHOSPHATE COC(=O)C(CO)N CPD0-1379 [C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)O CPD-6701 C1C[NH+]=C(SC1)N ADT CC(c1ccc(cc1Cl)Cl)(C(n2cncn2)OC)O CPD-4023 C(CCCC(=O)[O-])CCCC(=O)[O-] CPD0-1265 CCCCCCCCCCCCCC(=O)C CPD-7898 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O 6-KESTOSE c1ccc2c(c1)/C(=C\3/C=C(NC3=O)c4c[nH]c5c4cc(cc5)O)/C(=O)N2 VIOLACEIN COc1cc(cc(c1)O)CCCCCCC/C=C\C/C=C\CC=C CPD-10257 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)OC)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9865 c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/c5ccc(c(c5)O)O)O)O)O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)CC(=O)O)O)O)O)O)O CPD-7141 CC(CC(=O)[O-])O D-3-HYDROXY-BUTYRATE CC(C)(Cc1ccccc1)[NH3+] CPD-7657 C1=C(C(C(C(=C1Cl)Cl)O)O)Cl CPD-10623 CC(C(=O)O)OC1C(C2OCC(C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C CPD0-1081 C(CC(=O)[O-])C(C(=O)[O-])S CPD0-1231 CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O 1-METHYL-MYO-INOSITOL 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)O)O)O)O)O)O)O)O CPD-10299 C1[C@H](C[NH2+][C@@H]1C(=O)[O-])O 4-HYDROXY-L-PROLINE CC1=C(C(=O)C(=C(C1=O)N)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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9613 c1cc(c(cc1c2c(c(=O)c3c(o2)cc(cc3OC4C([C@H](C([C@H](O4)CO)O)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O CPD-8009 C(/C=C/C(=O)[O-])C(=O)[O-] GLUTACONATE CC1(C2CCC(O1)(CC2)C)C CPD-4261 C(C(C1C(C(=O)C(=O)O1)O)O)O 2-KETO-L-GULONOLACTONE CC(C)c1ccc2c(c1)CCC3[C@@]2(CCC[C@@]3(C)C(O)O)C CPD-8723 CCCCC[C@H]1/C(=C/C=C\CCCCCCCC(=O)[O-])/O1 EPOXYOCTA-CPD Cc1c(c(c(cn1)CO)C(=O)[O-])O CPD-1112 C[C@@](O)(C#N)C 2-HYDROXY-2-METHYLPROPANENITRILE Cc1c(c(c(c(c1O)OC)OC)O)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 CPD-9956 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)OO)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8165 CC(=O)[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 CPD-5961 C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)([O-])[O-])O)O 2-DEOXY-D-GLUCOSE-6-PHOSPHATE CC1C(C(C(C(O1)OC/C(=C/2\C(C(C(O2)Oc3ccc(cc3)/C=C(\C)/C(=O)NC4C(OC(C4O)n5cnc6c5ncnc6N(C)C)CO)O)O)/OC)O)OC)OC CPD-10130 CCCCCCCCCCCCCCCCCCCCCCCC=O CPD-7885 C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O CPD-144 CCCCCc1cc(c(c(c1C(=O)[O-])O)C/C=C(/C)\CCC=C(C)C)O CPD-7175 C[C@@H]1CC[C@H](C[C@@H]1O)C(=C)C CPD-10030 C1[C@@]([C@H]([C@@H](O1)OC[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O)(CO)O CPD-9004 COC(=O)/C=C/c1ccccc1 CPD-6421 C[C@H](CCC(=O)[O-])[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 CPD-7273 c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl CPD0-1227 Cc1ccc(c2c1oc-3c(c(=O)c(c(c3n2)C(=O)NC(C(C)O)C(=O)N[C@H](C(C)C)C([NH+]4CCC[C@H]4C(N(C)CC(N(C)C(C(C)C)C(O)O)O)O)O)N)C)C(=O)NC5C(OC(=O)C(N(C(=O)CN(C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)C)C)C(C)C)C ACTINOMYCINIC-MONOLACTONE C1CC2(C(C(CC1[NH2+]2)O)O)O CPD-8001 CC(=CCC/C(=C/C=C)/C)C CPD-8844 c1cc(c(cc1N)Cl)Cl 34-DICHLOROANILINE *n1cnc2c1nc(nc2NCC=C(C)C)SC 2-METHYLTHIO-N-6-ISOPENTYL-ADENOSINE-37- C(C(=O)C(=O)CBr)Br CPD-9077 C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O[C@@H]2[C@@H]([C@H](C([C@H](O2)CO)O)O)O)O)O 3-BETA-D-GLUCOSYLGLUCOSE CCC1/c/2c/c3c(c4c/5n3[Mg]n\6/c(c\c7n/c(c5/C(C4=O)C(=O)OC)/[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)/c(c(/c6c/c(n2)C1C)C(=O)C)C)C CPD-9067 COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-] CPD-8973 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]1[C@@H](O1)CCCC(=O)[O-] CPD-8892 c1c(cc(c(c1I)[O-])I)CC(C(=O)[O-])O DIIODO-HYDROXYPHENYL-LACTATE c1ccc(cc1)Cc2c-3nc(c(=O)n3cc([nH]2)c4ccc(cc4)O)Cc5ccc(cc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l)\Cl CPD-10631 CC1C[NH+](CC(O1)C)CC(C)Cc2ccc(cc2)C(C)(C)C CPD-9543 C[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)NCCO)NC(=O)CNC(=O)[C@H](C(C)C)NC=O CPD-10417 CC(C)CCO CPD-7032 COc1ccc(c2c1oc3c(c2=O)c(cc4c3C5C=COC5O4)OC)O CPD-4589 c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N=[N+]=[N-] CPD0-1391 C/C(=C\CNc1c2c([nH]cn2)ncn1)/CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-4614 CCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCC CPD-7919 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(CCCC(=O)[O-])O)O 3-HYDROXYPIMELYL-COA Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O DTDP-D-GALACTOSE CSC1=NC(=NC2=NC=NC21)N CPD-5724 C(C(C(C(=O)[O-])O)OP(=O)([O-])[O-])(C(C(=O)[O-])O)O 3-PHOSPHOGLUCARATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(ccc1O)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9864 c1cc(ccc1/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O)O CPD-8936 COc1ccc(c(c1)OC)[C@@H]2COc3cc(cc(c3C2=O)O)[O-] CPD-4569 c1cc(c(cc1/C=C/C(=O)c2c(cc(cc2O)O)O)O)O CPD-3021 CC(=O)C1=N[c-]2c(nc(nc2=O)N)NCC1 A-PYRIMIDODIAZEPINE C(CS(=O)O)NC(=N)N HYPOTAUROCYAMINE CC(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N N-ACETYL-TRYPTOPHANAMIDE c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)OS(=O)(=O)[O-])NC(=O)Cc4ccc(cc4)OS(=O)(=O)[O-] OXIDIZED-WATASEMIA-LUCIFERIN CC(=CCc1cc2ccc(=O)oc2cc1O)C CPD-8192 c1ccc2c(c1)c(c[nH]2)CC(=O)NC(CCC(=O)[O-])C(=O)[O-] INDOLE-3-ACETYL-GLU C[C@@H]1CC(=O)C=C([C@]12CC[C@H](C2)C(=C)C)C CPD-4721 Cc1ccc(cc1)Cl CPD-7697 CC(C)C(C(=O)[O-])NC(=O)Cc1c[nH]c2c1cccc2 CPD-9577 CON1c2ccccc2OC(C1=O)OC3C(C(C(C(O3)CO)O)O)O CPD-6627 C1CC1[NH3+] CPD-7406 C([C@@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O)O L-GULONO-1-4-LACTONE C[C@@H]1[C@H](C[C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O)O CDP-36-DIDEOXY-D-MANNOSE C[C@@H]1[C@H]([C@@H](C[C@H]([C@]12CC[C@H](C2)C(=C)C)CO)O)O CPD-4746 CCC(C)C1C(=O)OC(C(C(=O)NC(C(=O)NC2CCC(N(C2=O)C(C(=O)N(C(C(=O)N1)Cc3ccc(cc3)O)C)CC(C)C)O)CC4CCC(C=C4)O)NC(=O)C(CCC(=O)N)NC(=O)C(Cc5ccc(cc5)O)O)C CPD-10385 C(C(C1[C@@H]([C@@H](C(=O)O1)O)O)O)O GLUCONOGAMMALACTONE CC(C1=NC(=C)C(=O)N1CC(=O)N)[NH3+] CPD-6952 CC(C)(CCc1c(ccc2c1O[C@@H]3[C@H]2COc4c3ccc(c4)O)O)O PHASEOLLIDIN-HYDRATE COc1cc(cc(c1O)OC)/C=C/C(=O)OC(C(=O)[O-])C(=O)[O-] SINAPOYLTARTRONATE CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC CPD-7767 c1ccc(c(c1)/C(=N/O)/[O-])O CPD-6543 CCCCCCCCCCCCCCCCCCCCCCCCCCC CPD-7939 c1cc(c(cc1C(=O)[O-])O)O 3-4-DIHYDROXYBENZOATE C/C(=C\CNc1c2c(ncn1)ncn2[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO CPD-4618 CCCCCCCC/C=C\CCCCCC(=O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8076 c1ccc2c(c1)C(=O)N(C2=O)[C@@H](CCC(=O)[O-])C(=O)[O-] CPD-3662 C/C=C/C=C/C(=O)[O-] CPD-3624 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8424 C(CCC(=O)[O-])CC[NH+]=C(N)N CPD-6943 C[C@H](/C=C/[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-8135 C(C[NH3+])C[NH2+]CCC[NH2+]CCC[NH3+] CPD-10689 CCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O)O CPD-8457 Cc1cc2c(ccc(c2O)O)[nH]c1=O CPD-982 C(C[NH3+])CP(=O)(O)[O-] CPD0-1077 C[NH2+]CC(c1ccc(cc1)O)O 1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN c1ccc(cc1)OP(=O)([O-])[O-] PHENOL-PHOSPHATE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O UDP-GALACTOSE CC1=C(C(CC=C1O)(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)O)C)\C)\C)/C)/C CPD-7854 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8310 *C(=O)N[C@@H](CO)C(=O)N* CPD-8564 [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-])OP(=O)([O-])[O-])O CPD-1107 CCCCCCCCCCCCCCCCCC(=O)NC(CO)[C@@H](C(CCC/C=C/CCCCCCCCC)O)O CPD-9891 CCCCCCCCCCCC(=O)[O-] DODECANOATE c1ccc(cc1)C(=O)NCCCCNC(=[NH2+])N CPD-566 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)(C)C(=O)[O-] CPD1F-132 CCS CPD-10467 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4CCC(CC4)C(=O)[O-])O 1-CARBOXYCYCLOHEXANOYL-COA CC(C(=O)[O-])/N=C(\C)/C(=O)[O-] CPD-310 CC(C)C12CCC(=C)[C@@H]1C2 CPD-4893 c1ccc2c(c1)c(c[nH]2)C[NH3+] CPD-8913 CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8385 CC1(C2(C3C2C[C@@H]1C3)C)C CPD-4902 CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10267 C([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)Cl)O)O)[C@]2([C@@H]([C@@H]([C@H](O2)CCl)O)O)CCl CPD-5582 c1ccc2c(c1)c(c[nH]2)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-1102 CCCCCC(=O)NC1CCOC1=O CPD-9029 c1cc(sc1)c2ccc(s2)C#CCCO 5-4-HYDROXYBUT-1-YNYL-22-BITHIOPHENE C1CC(N(C1=O)CCOC(=O)C[C@](CC(=O)NCC[C@@H](C(=O)[O-])N2C(=O)CCC2(C(=O)[O-])O)(C(=O)[O-])O)(C(=O)[O-])O CPD-9986 CC(C)CC(C(=O)[O-])NC(=O)Cc1c[nH]c2c1cccc2 INDOLE-3-ACETYL-LEU c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])[O-])O)N CPD-3708 c1ccc2c(c1)cccc2C=O CPD-7614 CCCCCCCC/C=C\C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD0-1162 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[C@@H]4[C@H](O[C@H]([C@@H]4O)n5cnc6c5nc([nH]c6=O)N)COP(=O)([O-])[O-])O)O)N L-DI-GMP CC(=O)N[C@H](CCCC[NH3+])C(=O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2=CNc3c2ncnc3N)O)O AMP-LYSINE C=C1[C@H]([C@H](C(O1)(CO)n2cnc3c2ncnc3N)O)O DECOYININE C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)/C)/C)/C=C/C=C(/C(=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO)\C CPD-8666 Cc1c(sc([n+]1Cc2cnc(nc2N)C)C(C)O)CCOP(=O)([O-])OP(=O)([O-])[O-] 2-ALPHA-HYDROXYETHYL-THPP CC(=O)CC(=O)CC(=O)C(=O)[O-] CPD-617 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)([O-])[O-] CPD-1241 COc1ccc(cc1)c2coc3cc(c(cc3c2=O)OC)O CPD-7026 C(C=O)C(C(CO)O)O 2-DEOXYRIBOSE c1cn(c(=O)[nH]c1=O)C[C@@H](C(=O)[O-])[NH3+] 3-URACIL-1-YL-L-SERINE CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8327 C[C@@H]1C(=CC[C@@H]2[C@@H]1CC[C@H]3[C@]2(CCC[C@]3(C)C)C)C=C CPD-4751 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8274 C(C(=O)N)[NH3+] GLYCINAMIDE C([C@H]([C@@H]([C@@H](C(=O)CO)O)O)O)O TAGATOSE [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 CPD-6782 Cc1c(c(no1)c2ccccc2Cl)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)[O-] CPD-9225 CCCC(=O)CC(=O)OCC ETHYL-3-OXOHEXANOATE [B-]C#N CPD0-1399 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)C(=O)[O-])/C)/C)/C)/C)/C)/C)C CPD-9904 CC(Cc1c[nH]c2c1cccc2)(C(=O)[O-])[NH3+] ALPHA-METHYLTRYPTOPHAN c1cc(ccc1C(=O)[O-])C(=O)[O-] TEREPHTHALATE c1cnc(=O)n(c1)C2[C@H]([C@H]([C@H](O2)CO)O)O CPD0-1312 c1cc(ccc1/C=C/CO)O COUMARYL-ALCOHOL CCNc1nc(nc(n1)O)N CPD-806 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C DECAPRENOL-PHOSPHATE CCCCCCCCC/C=C/CCCC([C@H](C(CO)NC(=O)CCCCCCCCC/C=C\CCCCCCCC)O)O CPD-9798 CC/C=C\C(=O)C(=O)[O-] CPD-9165 Cc1c2[nH]c(c1CCC(=O)[O-])Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)CCC(=O)[O-])C)CCC(=O)[O-])C)CCC(=O)[O-])C COPROPORPHYRINOGEN_I CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8373 C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4(C3=CCC4[C@H](C)CCCC(C)C)C)C)O CPD-4183 CCCC(=O)CC(=O)[O-] CPD-7706 C(CCO)CC(=O)[O-] 5-HYDROXYPENTANOATE C[C@H](CCC[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C CPD-10505 CCCCCCC(C(=O)[O-])[NH3+] CPD-3687 c1cc(ccc1C(=O)[O-])SCC2=Nc3c(=O)[nH]c(nc3NC2)N CPD0-1252 CC1=C2[C@H]([C@]([C@]3(N2[Co+2]45N6C(=CC7=[N+]4[C@@H]3[C@@H]([C@@]7(C)CCC(=O)[O-])CC(=O)[O-])C(=C(C6(CC8=C([C@](C1=[N+]58)(C)CC(=O)[O-])CCC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-])C)(C)CC(=O)[O-])CCC(=O)[O-] CPD-9048 CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC CPD-7759 CCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8430 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(C)CCO)/C CPD-7247 C1CC=[NH+]C1 CPD-6124 CC[C@@]12C=CC[NH+]3[C@@H]1[C@@]4(CC3)c5ccc(cc5N([C@H]4[C@](C2O)(C(=O)OC)O)C)OC 17-O-DEACETYLVINDOLINE CN(C[C@H]1CNc2c(c(=O)nc([nH]2)N)N1)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O CPD0-1255 c1cc(ccc1N)[N+](=O)[O-] 4-NITROANILINE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)[N-]C(=O)[C@H](CC(=O)[O-])N)O)O)N CPD0-914 CC1=C(C(=O)c2ccccc2C1=O)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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9719 C1[C@H]([C@H]([C@@](C(O1)O)(CO)O)O)O D-HAMAMELOSE C[N@@H+]1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C=CC3[C@H]1C5)OC CODEINONE C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/Cc1c(c(=O)c(c([nH]1)OC)OC)C)/C)O CPD0-1233 [C@@H]([C@H]([C@@H](C(=O)[O-])O)O)([C@@H](C(=O)[O-])O)O CPD0-1092 c1cn(c(=O)[nH]c1=O)CC(C(=O)[O-])[NH3+] CPD-666 [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 INS356P3 c1c(cc(c(c1O)O)O)c2c(cc3c(cc(cc3[o+]2)O)[O-])OC4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)[O-])O)O)O CPD-7862 CCCCCCCC/C=C\C/C=C\CCCCC(=O)[O-] CPD-8478 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)[NH3+])O)O)O)O)N CPD-9387 C([C@H]([C@H](CS)O)O)S DITHIOERYTHRITOL C(C(C(=O)[O-])[NH3+])F CPD0-1335 C[N@@H+]1CC[C@]23C=C([C@H](C=C2[C@H]1Cc4c3c(c(cc4)OC)O)O)OC SALUTARIDINOL CCCCCCCCCCCCCCCCCC(C(=O)NC(CO)C(/C=C/CC/C=C/CCCCCCCCC)O)O CPD-8436 CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C CPD-271 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)[NH3+])O)O CPD-10224 CC(=C[C@H]1[C@@]([C@@H]1COP(=O)(OP(=O)([O-])[O-])[O-])(C)C)C CPD-9445 CCCCCCCC(=O)NCc1ccc(c(c1)OC)O CPD-9180 C[C@@H]1CC[C@@H](C[C@H]1O)C(=C)C CPD-10032 CC1=C2[C@@]([C@H](C[C@H]3[C@](CC2)(CC[C@@H](C3=C)OC(=O)C)C)CC1)(C)C TAXA-42011-DIEN-5-ALPHA-YL-ACETATE Cc1c(cc(c(c1C/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)O)OC)O CPD-9859 *C(=O)Oc1ccc(cc1/C=C/C)OC CPD-9946 CCCCCCCCCCCC/C=C/CC(=O)OC(CO)COP(=O)([O-])OCC(CO)O CPD-8364 C1C(NCC1=O)C(=O)[O-] 4-OXOPROLINE CSCCC/C=N/O 3-METHYLTHIOPROPANALDOXIME c1ccc2c(c1)c(c[nH]2)C(C=O)O 3-INDOLYLGLYCOLALDEHYDE Cc1c(c(c(o1)C)O)O CPD-10211 C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H]([C@@]4(C)C=O)O)C)C CPD-5845 C/C(=C\C=C\C=C(\C=C\C=C(\C=C\C(=O)OC)/C)/C)/C=C/C=C(/C=C/C(=O)OC)\C CPD-7973 C[C@@]([C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)[C@@](COP(=O)(OP(=O)(OC[C@@H]1O[C@@H](C(C1OP(=O)([O-])[O-])O)n2c3ncnc(c3nc2)N)[O-])[O-])(C)C)(COP(=O)(OP(=O)(OC[C@@H]4O[C@@H](C(C4OP(=O)([O-])[O-])O)n5c6ncnc(c6nc5)N)[O-])[O-])C CPD-317 C(CCCCC(=O)[O-])CCCC=O 10-OXODECANOATE CCOC(=O)C(C)C(=O)C(=O)OCC DIETHYL-2-METHYL-3-OXOSUCCINATE c1c(cc(c(c1C(=O)[O-])O)O)C(=O)[O-] CPD0-1263 C(CC(=O)[O-])C(=O)C(=O)N 4-OXOGLUTARAMATE CC(=O)CCC1CC(=O)OC1(C)C CPD-789 Cc1c(cc(c(c1C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)OC)O 2-HEXAPRENYL-3-METHYL-6-METHOXY-14-BENZ CC(C)CCCC(C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4C(=O)[O-])O)C)C CPD-8619 [H]/N=c/1\ccc-2nc3c(cc(cc3n(c2c1)C)S(=O)(=O)[O-])C(=O)[O-] CPD-10422 C[C@@H]1CC[C@@H]2[C@@H](C2(C)C)[C@H]3[C@@H]1CCC3=C CPD-8753 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCC4CC4C(C)CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCCCCCC)OC)O)O)O)O)O)O)O CPD1G-853 C[C@H](CCC(=O)NCCS(=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 CPD-3743 CC CPD-9312 C[C@H](CCCC(C)(C)O)C1CCC2[C@@]1(CC/C(=C\C=C/3\C[C@H](CCC3=C)O)/C2)C CALCIDIOL CCCC([C@@H](C(=O)[O-])O)C(=O)[O-] CPD-52 C(CC[C@@](CC(=O)[O-])(C(=O)[O-])O)CC(=O)[O-] CPD-301 C(C(Cl)(Cl)Cl)O CPD-9673 CCCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC)C(=O)OCC2C(C(C(C(O2)OC3C(C(C(C(O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCC4CC4CCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O)O CPD1G-833 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@]4(C)CO)O)C)C CPD-5847 c1cc(ccc1C2=Oc3cc(cc(c3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O CPD-7137 c1cc(c(c2c1c(cc(n2)C(=O)[O-])O)O)O CPD-1080 Cc1ccc(cc1C)C(CO)O 1-34-DIMETHYLPHENYLETHANE-12-DIOL CC12CCC3C(C1C[C@H](C2)O)CCC4C3(CCC(C4)O)C 16-ALPHA-HYDROXYSTEROID c1cc2c(cc1F)[nH]cc2CC(C(=O)[O-])[NH3+] DL-6-FLUOROTRYPTOPHAN C/C(=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12C(CC(CC1(O2)C)O)(C)C)/C=C/C=C(\C)/C=C/C34C(CC(CC3(O4)C)O)(C)C CPD-7196 CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] CPD-439 C1CN(C1=O)[C@@H](CCCNC(=[NH2+])N)C(=O)[O-] DEOXYAMIDINOPROCLAVAMINATE C(CCC1C(NC(=O)N1)CS)CCC(=O)[O-] CPD-5662 CCC[C@H](CC(=O)OCC)O ETHYL-R-3-HYDROXYHEXANOATE CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)[O-] CPD-8121 CC(=O)NC1[C@H]([C@@H]([C@H](O[C@H]1O)CO)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)O ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS C1[C@H]2N(C1=O)[C@@H](/C(=C/C[NH3+])/O2)C(=O)[O-] CLAVAMINATE Cc1c(c(c(c(c1O)[C@]2(C=CC(=C(C2=O)C(=O)C)[O-])C)O)C(=O)C)O CPD-7412 c1ccc2c(c1)c(c[nH]2)C/C=N/O INDOLE-3-ACETALDOXIME C[C@H](C[NH3+])OP(=O)([O-])[O-] R-1-AMINOPROPAN-2-YL-PHOSPHATE C(CCC(=O)C(=O)[O-])CCC(=O)[O-] CPD-337 c1cc(ccc1C[C@H](C(=O)[O-])[NH3+])OP(=O)([O-])[O-] CPD-3729 C([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O CPD-1114 c1ccc(cc1)c2cc(=O)c3cc(ccc3o2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-8143 CCCCCCCCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)COC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8160 CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2O)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1O)O)(C)C 10-DEACETYLBACCATIN-III CC(C)CCCC(C)CCCC(C)CCC(=O)C(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 3-OXOPRISTANOYL-COA C[C@H](CCC(=C)C(C)C)C1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C FECOSTEROL C1[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)OC[C@]3(O1)[C@H]([C@@H]([C@H](O3)CO)O)O CPD-8197 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N ADP-MANNOSE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O CPD-8347 c1cc(c(cc1C=O)[N+](=O)[O-])O CPD-7368 CC/C=C\CC1C(CCC1=O)CCCCCCCC(=O)[O-] CPD-730 c1ccc2c(c1)c(c[nH]2)c3nccs3 THIAZOL-YL-INDOLE C(C(C(C(C(=O)[O-])O)O)O)O CPD0-1198 C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])NC(=O)[C@H](C)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C CPD0-1329 CC(C)(C)C(=O)C(=O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O CPD0-1141 C[C@H](CCC[C@@H](C)[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)CO CPD-10586 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@]4([C@@]3(CC[C@H](C4)O)C)C(=O)O)O)O)C CPD-10552 CC(=CCc1c(c(c(c(c1[O-])CC=C(C)C)O)C(=O)/C=C/c2ccc(cc2)O)O)C CPD-7124 CC(=O)N[C@@H](CC(=O)N)C(=O)[O-] CPD-8980 CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)OC3[C@H]([C@H]([C@@H](C(O3)[C@H](CO)O)OP(O)(O)O)OC4[C@H]([C@H]([C@@H](C(O4)[C@H](COC5[C@H]([C@H]([C@@H](C(O5)[C@H](CO)O)O)O)O)O)OP(O)(O)O)OC6[C@@H](C([C@@H]([C@H](O6)COC7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)OC8C([C@H]([C@@H]([C@H](O8)CO)O)O)OC9[C@@H]([C@H]([C@@H]([C@H](O9)COC1[C@H]([C@H]([C@@H](C(O1)[C@H](CO)O)O)O)O)O)O)O)O)O)O)O[C@@]1(C[C@H]([C@H]([C@H](O1)C(CO)O)O)O)C(O)O)C(=O)[O-])OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC CPD0-1151 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])O CPD-8355 CC(C)/C(=C/C(=O)[O-])/C(=O)[O-] CPD-9451 C=C1c2ccccc2NC1=O 3-METHYLENEOXINDOLE C1C=CC(=O)C(O1)(CO)O CPD-9435 CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)C(CCC(C)(C)O)O ECDYSONE CCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(CCCC/C=C\CCCCCCCCC)O CPD-9820 c1ccc(cc1)c2cc(cc(c2)O)O CPD-8991 c1ccc2c(c1)c(c([nH]2)O)O CPD-243 C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C)C CPD-1910 c1cc(c(c(c1)Cl)O)O CPD-9151 CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCC[C@H](C(=O)[O-])[NH3+])SC1)C(=O)[O-] DEACETOXYCEPHALOSPORIN-C CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccccc3)C(=O)[O-])C PENICILLIN-G CCCCCCCCCCCCCCCCCCCCCC=O CPD-7879 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8286 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)[O-])O)O)O)O)OS(=O)(=O)[O-] CPD-8530 CC1(CCCC2(C3C1C(C2=C)CC3)C)C CPD-8701 *C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O*)CO)COC)CO CPD-8577 C[C@]12CCC3c4cc(c(cc4CCC3C1CC[C@@H]2O)O)OC 2-METHOXY-ESTRADIOL-17B CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8375 CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-])O HYDROXY-915-DIOXOPROSTA-13-ENOATE C1CNNC1 PYRAZOLIDINE C/C(=C/CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O)/CO CPD-4443 [O-]P(=O)[O-] PHOSPHONATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC(CCO)C(=O)N)O)O)N CPD0-1405 c1cc(c(cc1C[C@@H](C(=O)[O-])/N=C\C=C\2/C[C@H](NC(=C2)C(=O)[O-])C(=O)[O-])O)O CPD-8671 Cc1cc(ccc1[N+](=O)[O-])OP(=S)(OC)OC CPD-8975 Cc1c2nc(o1)[C@@H](NC(=O)c3csc(n3)[C@@H](NC(=O)c4csc(n4)CNC2=O)CCSC)C CPD-10402 C[C@]1(C[C@H](C[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])CO)O)C=O CPD-885 C[NH+]1CC[C@]23C=C(C(=O)C=C2[C@H]1Cc4c3c(c(cc4)OC)O)OC SALUTARIDINE CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7822 CCCCCC/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8335 CC1(C2CC(=O)OC1(CC2=O)C)C CPD-865 Cc1cc(c(c(c1)C)C(=O)C=O)C CPD0-1061 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO CPD-8516 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCO)O 4-HYDROXY-BUTYRYL-COA CC[C@]12CC(=C3[C@@]4([C@H]1[NH+](CC4)CC=C2)c5ccc(cc5N3)O)C(=O)OC 16-HYDROXYTABERSONINE C([C@@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O CPD-1117 c1cc(c([n+](c1)C2C(C(C(O2)COP(=O)([O-])[O-])O)O)C(=O)[O-])C(=O)[O-] QUINOLINATE_NUCLEOTIDE CCCCC(C(=O)[O-])[NH3+] L-2-AMINOHEXANOATE COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)c4ccc(c(c4)OC)O CPD-8905 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)OC6[C@@H]([C@H]([C@@H](C(O6)CO)O)O)O)C)C)(C)C)OC7[C@@H](C(C([C@H](O7)C(=O)[O-])OC8[C@@H]([C@H]([C@@H](C(O8)CO)O)O)O)OC9[C@@H]([C@H]([C@H](C(O9)CO)O)O)O)O CPD-9467 c1cc(ccc1CC#N)O CPD-1074 C1=C[C@H](C(C=C1)O)O CPD-8825 C[NH2+]CCCC=O CPD-7993 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC4CCC[NH+]4C)O CPD-9772 CC(=CCC/C(=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)/C)C CPD-1827 CC1=CC(=CC(C1O)O)Cl CPD-10655 C[C@H](C(=O)N[C@H](C)C(=O)OP(=O)([O-])OCC(COP(=O)([O-])OCC(CO)O)O)[NH3+] CPD-75 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)C ALL-TRANS-PENTAPRENYL-DIPHOSPHATE CC(=CCc1c(ccc2c1OC[C@@]3([C@H]2Oc4c3ccc(c4)O)O)O)C CPD-4403 C[NH+](C)CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O CPD4FS-1 C(C[NH3+])C=O CPD-6082 C1C(C=CC=C1C(=O)[O-])[NH3+] CPD0-1467 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC CPD-7778 CC(=O)NCCC(=O)[O-] CPD-580 C(CO)C=O HYDROXYPROPANAL C[C@H](CC(=O)CC(C)C)[C@@H]1CCC(=CC1)C(=O)[O-] CPD-8836 CO[C@@H]1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O CPD-8063 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9971 C[C@H]1[C@@H](C[C@H]([C@H](O1)O)O)O CPD-9396 CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@](C3CC2)(C)C(O)O)C CPD-8715 C(C(=O)[O-])Br BROMOACETATE C([C@@H]([C@H](C(=O)C(=O)C(=O)[O-])O)O)O CPD-334 CCCCCCCCCCCCCCCCC/C=C/CCCCCCCC CPD-7930 C[C@]1(CC(=O)[C@]2(C(C1)C3=CCC4[C@]([C@@]3(CC2)C)(CCC5[C@@]4(CC[C@@H]([C@@]5(COC6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)C)O)C)C)C)C CPD-9493 C(=C\C(=C(/C(=O)[O-])\N)\C(=O)[O-])\C=O 2-AMINO-3-3-OXOPROP-2-ENYL-BUT-2-ENEDI C1CNC(=[NH2+])N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H](CCC[NH3+])[NH3+] TUBERACTINOMYCIN-O CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)I)C(=O)[O-])C CPD-9236 c1cc(ccc1[C@H](C(=O)[O-])N2C[C@@H](C2=O)NC(=O)/C(=N\O)/c3ccc(cc3)OCC[C@@H](C(=O)[O-])[NH3+])O ISONOCARDICIN-A C[S+](C)CC(=O)[O-] DIMETHYLSULFONIOACETATE CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC CPD-7814 Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe+2]47n2c(c1CCC(=O)C)cc8[n+]7c(c6)C(=C8CCC(=O)C)C)C)C=C)C(=C3C=C)C CPD-10495 C1=NC(=O)C2=NN=C(C2=N1)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O CPD0-1045 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(N[C@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)[O-])[O-])O)O)O CPD-9084 CC1=NCCc2c1[nH]c3c2ccc(c3)O CPD-9938 CC(=O)O[C@H]1C=C2[C@H]3Cc4ccc(c(c4[C@@]2(CC[N@H+]3C)C=C1OC)O)OC 7-O-ACETYLSALUTARIDINOL C[C@@H]1CC[C@]2(C([C@]1(C)CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)CCC=C2C)C CPD-10113 COc1cc(ccc1O)/C=C/C(=O)O[C@@H]2[C@@H](C[C@](CC2O)(C(=O)[O-])O)O CPD-416 C[C@@]12CC[C@@H]([C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])(C)C(=O)[O-])O CPD-6228 c1cc(c(cc1C2C(C(=O)c3c(cc(c(c3O)O)O)O2)O)O)O CPD-4801 COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O CPD-6959 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C CPD-10533 COc1cc(ccc1O)CC2c3cc(c(cc3CC[NH2+]2)OC)O NORORIENTALINE C/C/1=C\CCC(=C)/C=C/[C@@H](CC1)C(C)C CPD-8746 c1ccc(cc1)c2nn([n+](n2)c3ccc(cc3)I)c4ccc(cc4)[N+](=O)[O-] CPD-10339 CC1=C[C@@H]([C@@H]2C[C@H]1C2(C)C)O CPD-8833 CN1CC[NH+](CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F CPD-7051 c12c([nH]c(=N)[nH]c1=O)[nH]nn2 CPD0-1143 Cc1c(c(c(cn1)C=O)CO)O CPD-383 c1ccc2c(c1)CCC2O 1-INDANOL CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)CC(=O)c4ccc(cc4)O)O CPD-10600 C[n+]1cccc(c1)C(=O)[O-] METHYLNICOTINATE CC(=O)NC(Cc1ccc(cc1)O)C(=O)NC2[C@H](OC([C@@H]2O)[n@@]3cnc4c3ncnc4N)CO CPD-10082 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)O4)C TESTOLOLACTONE CCC1=C(/c/2c/c3c(c(c/4n3[Mg]n5/c(c\c1n2)/c(c6c5c(c7n/c(c4)/[C@H]([C@@H]7CCC(=O)O)C)[C@H](C6=O)C(=O)OC)C)C)C=C)CO CPD-7015 c1cc2c(=O)c3c(cc(cc3oc2c(c1)O)[O-])O CPD-6882 CC(=O)N/C=C(/C(CO)C(=O)[O-])\C(=O)[O-] 2-HYDROXYMETHYL-3-ACETAMIDOMETHYLENE C[C@H](CCC(=C)C(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-706 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CPD-7937 C[NH+]1CCCC1C(=O)[O-] CPD-904 CC[C@H](C)C(C(=O)[N-]S(=O)(=O)OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)I CPD0-1357 c1c[nH+]c(c2c1[nH]cn2)N 3-DEAZAADENINE C=CCS(=O)CC(C(=O)[O-])[NH3+] CPD-9269 CC1=CC(=O)[C@H](CC1)C(=C)C CPD-1090 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8159 c1cc(ccc1/N=N/c2c(cc3cc(c(c(c3c2N)O)/N=N/c4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-] CPD-10474 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)C[NH3+])O)O CPD0-1322 c1ccc(c(c1)N)S(=O)(=O)[O-] 2-AMINOBENZENESULFONATE CC(=CC/C=C(\C)/C=C)C CPD-4889 C[C@](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)(C(=O)[O-])O CPD-627 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(ccc1O)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)/C)C NONAPRENYL-4-HYDROXYBENZOATE C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@]4([C@@]3(CC[C@@H](C4)O)C)O)C ERGOSTA-ETCETERA-BETA-DIOL CC(C)C(=O)C1=C[C@](C(C1=O)CC=C(C)C)(C(=O)CC=C(C)C)O CPD-7115 C[C@H](CC[C@@H](C)C(C)C)C1CCC2[C@@]1(CCC3C2CCC4=CC(=O)CC[C@]34C)C CPD-698 CC(=O)OCCC#Cc1ccc(s1)c2cccs2 5-4-ACETOXYBUT-1-YNYL-2-2-BITHIOPHENE COc1ccc(cc1O)c2coc3cc(ccc3c2=O)O CPD-9539 CC(C)CCCCC(=O)NCc1ccc(c(c1)OC)O CPD-9332 CC(C)CC(=O)c1c(cc(c(c1O)CC=C(C)C)[O-])O CPD-7109 C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C TAUROLITHOCHOLATE-SULFATE C1C[C@H]([NH2+][C@@H]1CCC(=O)[O-])C(=O)[O-] CPD-9401 *C(C)(C(=O)O)C(=O)O 2-ARYL-2-METHYLMALONATE CC1([C@@H]2CC[C@@H](C2)C1=C)C CPD-8767 Cc1cc(c(cc1[N+](=O)[O-])O)O CPD-9134 CC(C)C(=O)CC(=O)[O-] CPD-7030 c1ccc2c(c1)c(c(cn2)O)O QUINOLIN-34-DIOL CP(=O)(C(CC(C(=O)[O-])[NH3+])O)[O-] CPD0-1245 C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@H]1C([C@H](O[C@H](C1NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2C([C@@H](C(O2)[N@]3CCC(=O)NC3=O)O)O)CO)O CPD0-1331 C/C(=C/1\C(=O)[C@@H]2[C@H]3c4c[nH]c5c4c(ccc5)C[C@H]3C(N2C1=O)(C)C)/[O-] ALPHA-CYCLOPIAZONATE Cc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])NO CPD-10447 CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C4CCC5C4(C(CC6C5C(CC7=CC(=O)CCC67C)O)O)C 3-OXO-DELTA4-CHOLYL-COA C/C(=C\C=O)/CC/C=C(\C)/C=O CPD-9978 CSC(=O)[C@@H](COP(=O)([O-])[O-])O S-METHYL-3-PHOSPHO-1-THIO-D-GLYCERATE C/C(=C\C=C\C=C(\C=C\C=O)/C)/C=C/C=O CPD-7202 CC(C)c1c2c(c(c(c1OC)[O-])C=O)C(=O)C3CC=C(CC3(C2=O)C)CCC=C(C)C CPD-9747 C(CO)COP(=O)([O-])[O-] CPD0-1458 CC(C)C[C@@H](C(=O)[O-])NC(=O)C(=O)c1ccccc1 CPD-199 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-] 3-ALPHA-HYDROXYGLYCYRRHETINATE CC(=O)OCCC(CO)c1c(cc2c(c1O)C(=O)c3c(cc(cc3O)[O-])C2=O)[O-] CPD-10172 Cc1ccc(c(c1)O)N CPD-9147 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]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O)CO)O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CO)O)O)O)O CPD-7043 CC(=O)NCCCC(=O)CC(=O)[O-] 3-OXO-6-ACETAMIDOHEXANOATE C=C1CC1C(C(C(=O)[O-])O)C(=O)[O-] CPD-9737 CC1=CC2C(CC1)C(=CCCC2(C)C)C CPD-8734 C[C@]12[C@H](C=C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)[O-])OC2=O)O GIBBERELLIN *C(=O)NC(COC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O*)O)O)C(/C=C/CCCCCCCCCCCCC)O CPD-8555 C(CCCCO)CCCC(C(CCCCCCCC(=O)[O-])O)O 91018-TRIHYDROXYSTEARATE c1cnc(nc1C(=O)[O-])O 2-HYDROXY-4-CARBOXYPYRIMIDINE CON CPD-7648 CC(=O)[C@]1(CCC2[C@@]1(CCC3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O 17-ALPHA-HYDROXYPROGESTERONE C1C=CC(=N[C@@H]1C(=O)[O-])C(=O)[O-] 2-3-DIHYDRODIPICOLINATE c1cc(ccc1C[C@H](C(=O)[O-])OC(=O)/C=C/c2ccc(cc2)O)O CPD-6976 C([C@@H]1C([C@@H]([C@@H](C(O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@H]([C@H]2OP(=O)(O)OC[C@H](COC=O)OC=O)O)O)O)O)O)O)O)O 1-PHOSPHATIDYL-MYO-INOSITOL-2-MANNOSE CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8330 *O[C@H]1[C@@H]([C@H](C(CO1)O[C@H]2[C@@H]([C@H](C(CO2)O)O)O)O)O CPD-7267 c1cc(ccc1N)S(=O)(=O)[O-] CPD-10427 C[C@@H](C1CCC2[C@@]1(CCC3C2CC(=O)[C@@H]4[C@@]3(CC[C@H](C4)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O CPD-719 CC(C)C1=CC[C@H]2C(=C1)CCC3[C@@]2(CCC[C@@]3(C)C=O)C CPD-8707 c1cc(ccc1[C@H](C(=O)[O-])[NH3+])O D-4-HYDROXYPHENYLGLYCINE CC(=O)OC/C=C/c1ccc(c(c1)OC)O CPD-9875 C(C(Cl)(Cl)Cl)(Cl)Cl PENTACHLOROETHANE C[C@H](C(=O)C)O CPD-10353 Cc1c2/cc/3\nc(/cc\4/c(c(/c(/[nH]4)c/c5n/c(c\c(c1CCC(=O)[O-])[nH]2)/C(=C5CCC(=O)[O-])C)C)CCC(=O)[O-])C(=C3CCC(=O)[O-])C COPROPORPHYRIN_I CC1=C([C@@](CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C CPD-7419 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8322 c1ccc2c(c1)c(cn2C3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)NC(CC(=O)[O-])C(=O)[O-] CPD-9568 CC/C=C\CC1/C(=C\C=C/CCCCCCCC(=O)[O-])/O1 CPD-728 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)/CC/C=C(\C)/CCC=C(C)C UBIQUINONE-9 C(P(=O)(O)[O-])P(=O)(O)[O-] CPD-3731 C([C@@H](C(=O)[O-])[NH3+])C(=O)CCl CPD0-1224 [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)OP(=O)([O-])[O-])C(=O)[O-])O)O CPD-501 C/C/1=C\CCC(=C)C2CC(C2CC1)(C)C CPD-8230 CC/C=C/CC1C(CCC1=O)CC(=O)OC CPD1F-2 CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8404 c1c(coc1C[NH3+])COP(=O)([O-])[O-] CPD-7644 CCCCCc1cc(cc(c1C(=O)[O-])O)O CPD-7165 *O[C@H]1[C@@H]([C@H]([C@@H](C(O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)O)O)O)O)O)O)O ALPHA-6-O-BETA-D-XYLOPYRANOSYL-BETA-D- CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NC(CCC(=O)[O-])C(=O)[O-] CPD-6041 CC(C)[C@@H](C(=O)[O-])[NH2+]C CPD0-1059 C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CPD-211 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@H](CO)O)OC(=O)C/C=C/CCCCCCCCCCCC CPD-8263 S=[Pb] CPD-527 CC(C)CCCC(C)CCCC(C)CCCC(C)[C@@H](C(=O)[O-])O L-2-HYDROXYPHYTANATE c1ccc2c(c1)c(ccn2)C(=O)[O-] QUINOLINE-4-CARBOXYLATE c1c(c(cc(c1O)O)O)/C=C\C(=O)[O-] CPD-8096 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(cc4)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O CPD-8012 Cc1ccc(cc1)[C@]2(CCCC2(C)C)C CPD-8244 C[As](O)O METHYLARSONITE COc1ccc(cc1)c2coc3cc(cc(c3c2=O)O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O CPD-4563 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)[NH3+] CPD-584 CCCCCC/C=C/C=C\CCCCCCCC(=O)[O-] 9-CIS11-TRANS-OCTADECADIENOATE CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] N-ACETYL-L-LYSINE CC(C)[C@]12CC[C@@]([C@H]1C2)(C)O CPD-682 C[C@@H](C(=O)[O-])[NH2+]C CPD-298 CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-10260 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OC[C@@H](C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8342 C1(C(C(C(=O)C(C1O)O)O)O)O MYO-INOSOSE C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC([C@@]5(C4CC(CC5)(C)C)C(=O)OC6[C@H]([C@H]([C@@H](C(O6)CO)O)O)O)O)C)C)(C)C(=O)[O-])O CPD-9477 C[C@H](C(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] CPD-407 C(C(=O)[O-])(P(=O)(O)[O-])S(=O)(=O)[O-] 2-PHOSPHONO-3-SULFOPROPRIONATE C1=CC(=CN(=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O CPD-446 C(=C(\C(=O)[O-])/Cl)\C(=O)C(C(=O)[O-])Cl CPD-10637 C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])C(=O)[O-])C(=O)[O-] CPD1F-86 c1cn(c(=O)nc1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)Cl CPD0-1390 C=CCSO CPD-9273 c1ccc(cc1)SC2C(C(C(C(O2)CO)O)O)O CPD0-1302 CC(C)c1ccc2c(c1)CCC3[C@@]2(CCC[C@@]3(C)C=O)C CPD-8724 CC(=O)NCCCCN CPD-569 CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CCC=C(C)C UBIQUINONE-2 CCCCCc1cc(c2c(c1)OC([C@H]3C2C=C(CC3)C)(C)C)O CPD-7172 C/C=C/S(=O)CC(C(=O)[O-])[NH3+] CPD-9307 CC1=CC[C@H](C[C@H]1O)C(=C)C CPD-10050 CC(C)CCCC(C)CCCC(C)CCC/C(=C/C(=O)[O-])/C PHYTANATE c1cc(ccc1C(=O)[O-])NO CPD-705 c1ccc2c(c1)nc(s2)S CPD-8766 c1ccc(cc1)c2cc(=O)c3c(cc(cc3o2)[O-])O CPD-8184 CCCCCCCCCCCCCCCC(=O)OCC(CO)O CPD-8508 CCCCCCCCC=CCCCCCCCC(=O)OCCOCC(C1C(C(CO1)OCCO)OCCO)OCCO CPD-3563 c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)[O-] CPD-10183 C([C@@H](C(=O)[O-])OP(=O)([O-])[O-])C(=O)[O-] S-PHOSPHOMALATE c1ccc(c(c1)C(=O)[O-])NP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O CPD-486 C(O)[C@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)OC[C@H]2O[C@@H]([C@@H]([C@H]([C@H]2O)O)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@H]([C@@H]3O)O)O)O)O CPD-8254 C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C --MENTHOL CCC1=C([C@H](NC1=O)CC2=N/C(=C\C3C(=C(C(=N3)/C=C\4/C(=C\C)/[C@H](C(=O)N4)C)C)CCC(=O)[O-])/C(=C2C)CCC(=O)[O-])C 3Z-PHYCOERYTHROBILIN c1ccc(cc1)C(=O)c2c(cc(cc2O)O)O CPD-6881 c1ccc(cc1)c2ccc(cc2)NO N-HYDROXY-4-AMINOBIPHENYL CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C)C CPD-10321 CC(=O)N[C@H](CCCC[NH3+])C(=O)OC CPD0-1442 C(C(CO[N+](=O)[O-])O)ON(=O)[O-] CPD-145 c1cc(ccc1C[C@@H](C(=O)[O-])N(O)O)O CPD-7070 c1ccn2c(c1)ncc2CC(O)(P(=O)(O)[O-])P(=O)(O)[O-] MINODRONATE CC[C@H]1c2/cc\3/c(c4c5n3[Mg]n6c(/cc/7\nc(c5[C@H](C4=O)C(=O)OC)[C@H]([C@@H]7C)CCC(=O)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)c(c(c6/cc(\n2)/[C@@H]1C)C(=O)C)C)C CPD-9088 CC(=O)N[C@H]1[C@@H](OC(CC1=O)(C(=O)[O-])O)[C@@H]([C@@H](CO)O)O CPD0-1144 [C@@H]1([C@@H]([C@@H]([C@H]([C@H]([C@@H]1O)O)O)O)O)O CPD-8055 CCCCCCCCCCCCCCCC(=O)C CPD-7894 CSCCO CPD-7677 C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O CPD0-1112 c1ccc2c(c1)ccc(=O)[nH]2 QUINOLIN-21H-ONE CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO CPD6666-4 CC(CCC(C(CO)COS(=O)(=O)[O-])O)C1CCC2[C@@]1(C(CC3[C@H]2[C@H](C[C@H]4[C@@]3(CCC(C4)O)C)O)O)C 5-BETA-SCYMNOL-SULFATE COc1cc2c(cc1OC)OC[C@@H]3[C@H]2C(=O)c4ccc5c(c4O3)C[C@@H](O5)C(=C)CO CPD-9544 [NH4+].[NH4+].[O-]S(=O)(=O)[O-] NH42SO4 C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(/C)\C=C\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C CPD-7424 c1cc(cc(c1)O)CC(=O)[O-] 3-HYDROXYPHENYLACETATE C[C@@H](C(=O)[O-])NC(=O)C(CC[C@H](C(=O)[O-])[NH3+])CNC(=O)[C@@H](CCC(=O)[O-])NC(=O)C(C)[NH2+]C(=O)C(C)OC1C(C2OCC(C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O2)NC(=O)C CPD0-1080 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(CO)CO)O)O)O)O 2-BETA-D-GLUCOSYL-SN-GLYCEROL CSCC(C(=O)[O-])[NH3+] S-METHYL-L-CYSTEINE CSC CPD-7670 C[C@H](CCC(=O)NCCS(=O)(=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 CPD-7283 CSC1=NC2=NC=NC2C(=N1)N CPD-5723 CC1=CC(=O)CC([C@]1(/C=C/C(=C\C(=O)[O-])/C)O)(C)C CPD-693 c1cc(ccc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=Cc4c(cc(cc4OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O=C3c6ccc(c(c6)O)O)O)O)O)O CPD-7714 CC(=C)[C@@H](CCC(=O)C)CC(=O)[O-] CPD-10063 COc1cccc(c1)C=O CPD-8779 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 CPD0-1436 C(CCC(=O)[O-])CC(C(C(=O)[O-])O)C(=O)[O-] CPD-336 CSCC[C@@H]1C(=O)NC(=O)N1 CPD-10023 c1ccc(cc1)CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-] CPD-1097 Cc1ccc(cc1)SC CPD-7698 C1CNC2=CC(C(C=C21)O)O CPD-8853 CC(=O)NC1C(C(C(OC1OP(=O)([O-])[O-])COP(=O)([O-])[O-])O)O N-ACETYL-D-GLUCOSAMINE-1-6-P c1c(c(cc(c1O)O)O)CC[NH3+] CPD-7666 CCC(C(C(=O)[O-])O)C(=O)[O-] CPD-1130 c1ccc2c(c1)c(ccc2C(=O)[O-])C(=O)[O-] CPD-9174 CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O METHYL-BETA-D-GALACTOSIDE C[C@@H](CO)O PROPANE-1-2-DIOL CCC(C)C1c2nc(cs2)C(=O)NC(C(=O)NC(C(=O)NC(c3nc(co3)C(=O)N1)C)CO)Cc4ccccc4 CPD-10399 *SS(=O)(=O)O S-ALKYL-THIOSULFATE C=CC(=O)[O-] ACRYLATE CC[C@H]1c2/cc\3/c(c4c5n3[Mg]n6c(/cc/7\nc(c5C(C4=O)C(=O)OC)[C@H]([C@@H]7C)CCC(=O)[O-])c(c(c6/cc(\n2)/C1C)C=C)C)C CPD-9097 CC(=CCC[C@@](C)(C1CC[C@@]2(C1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)O)C CPD-9240 CCCP(=O)(O)[O-] CPD0-1076 CCC(C)CCCCCCCCCCC(=O)[O-] CPD-9917 C[C@@]12CC(=O)[C@@H](C1(C)C)CC2=O CPD-1902 C/C(=C\COP(=O)(OP(=O)([O-])[O-])[O-])/CC[C@H]1[C@]2([C@@H]([C@@](CCC2)(C)C)CCC1=C)C ENT-COPALYL-DIPHOSPHATE C(CC(C(=O)[O-])[NH3+])CNC(=O)CP(=O)(O)[O-] N-DELTA-PHOSPHONOACETYL-L-ORNITHINE C[C@]1(C2[C@@]([C@H]([C@@](CC2)(O)C)CC[C@@](O)(C=C)C)(CCC1)C)C CPD-10110 c1cc(ccc1C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-453 Cc1cc(c2c(c1O)C(=O)c3c(cc(c(c3OC)[O-])OC)C2=O)O CPD-9615 CC(=CCC/C(=C/CC/C(=C/CSP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C CPD0-1356 c1ccc(c(c1)O)I 2-IODOPHENOL CC/C=C\CC=O CIS-3-HEXENAL C[C@@]1([C@H]2[C@@H]([C@@]34C[C@@H](CC[C@H]3[C@@]2(C[C@@H]([C@@H]1O)O)C(=O)[O-])C(=C)C4)C(=O)[O-])C(=O)[O-] CPD-6222 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCC1CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OCC2C(C(C(C(O2)OP(=O)([O-])OC/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)O)O)O CPD1G-108 CC1C(=O)c2ccccc2C(=O)C1(C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O 3-HYDROXY-2-METHYL-3-PHYTYL-23-DIHYDRONA CN1Cc2c(c(cc3c2OCO3)OC)-c4c1c5cc6c(cc5c(c4)OC)OCO6 DIHYDROMACARPINE c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O CPD-8034 CC(C)C(C)/C=C/C(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C LUMISTEROL CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-] LINOLEIC_ACID c1cc(ccc1CC(C(=O)[O-])[NH3+])Cl P-CHLOROPHENYLALANINE c1c[nH]c(=O)n(c1=O)C[C@@H](C(=O)O)N ISOWILLARDIINE C[C@]1([C@@H]2[C@]([C@H]3[C@@]4(CC(=C)[C@@H](C4)CC3)CC2)(CCC1)C)C CPD1F-128 CC1=C[C@@H]2[C@H](CC1)C(=C)CC[C@H]2C(C)C CPD-8791 [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 INOSITOL-1-4-5-TRISPHOSPHATE CCCCCCCC[C@H](CCCCCCCCC(=O)[O-])O CPD-57 CSC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] S-METHYLGLUTATHIONE C(CNC(=[NH2+])N)C(=O)[O-] CPD-594 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]([C@H]3CCC(=O)[O-])(C)O TESTOLATE CCCOP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O CPD-9429 CC/C=C\C[C@H]1C(CCC1=O)CC(=O)[O-] CPD-5943 CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@](C3CC2)(C)CO)C CPD-8714 CC1C(C(C(C(O1)Oc2c(=O)c3c(cc(cc3oc2c4ccc(c(c4)O)O)[O-])O)O)O)O QUERCITRIN CC(=CCc1c(cc(c2c1OC(CC2=O)c3ccc(cc3)O)OC)[O-])C CPD-7134 C1C=C(NC(=C1)C(=O)[O-])C(=O)[O-] CPD-5062 CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC CPD-7801 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCP(=O)(O)[O-])O)O)O)O CPD0-1029 C/C=C(\C)/C(=O)[O-] CPD-7077 CCCC(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](CN3C1=O)C)CC(C)C)CC(C)C)CC(=O)N)Cc4ccc(cc4)O CPD-10371 Cc1cc(ccc1OCC(=O)[O-])Cl CPD-10614 CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH2+]C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8296 C[C@@]12C[C@@H](C[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])(C)C(=O)[O-])O CPD-475 CC1=C([C@@](C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C(=O)[C@@]2(C(C[C@H](C2)O)(C)C)C)\C)\C)/C)/C CAPSANTHIN CC12CCCCC1O2 CPD-10094 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)OP(=O)([O-])[O-] CPD-3710 Cc1ccc2c(c1O)C(=O)c3c(cc(c(c3O)O)OC)C2=O CPD-9628 CCCCCCCCCCCCCCCC(=O)OCC[C@@H](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)\CC/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)/CC/C=C(\C)/CCC=C(C)C CPD-8189 [C@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)O CPD-193 CC(CC=C(C)C)c1c2c([nH]cn2)ncn1 CPD-5484 Cc1cc(c2c(c1O)C(=O)c3c(c4c(c(c3OC)OC)OCO4)C2=O)O CPD-9621 [C@@H]1(C(=O)NC(=O)N1)NC(=O)N R--ALLANTOIN CCCCCC(/C=C/C=O)OO 4-HYDROPEROXYOCTADECA-T-2-NONENAL 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)NC(=O)CC(C(=O)[O-])[NH3+])NC(=O)C)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O)O)NC(=O)C)O)O)O N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6 [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)NC(=[NH2+])N)O)[NH3+] D-1-GUANIDINO-3-AMINO-13-DIDEOXY-SCYLLO 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)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O CPD-8582 C(#N)[Fe-3](C#N)(C#N)(C#N)(C#N)C#N CPD-10145 CC(CCCC(C1[C@@]2(C(=CC1)C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)C)C)C CPD-8609 CC(=CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C CPD-4603 c1cc(c(cc1/C=C/C(=O)O[C@@H]2CC(=C[C@H]([C@H]2O)O)C(=O)[O-])O)O CAFFEOYLSHIKIMATE [O-]Cl=O CHLORITE CCC(C)C#N CPD-10275 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1ccccc1O)/C)/C)/C)/C)/C)/C)C CPD-9853 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O NYSTOSE COc1ccc(c(c1)O)[C@@H]2COc3cc(ccc3C2=O)O VESTITONE C[C@]12[C@H](CC[C@@]3([C@@H]1C([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)[O-])OC2=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O GIBBERELLIN-2-O-BETA-D-GLUCOSIDE CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=[O-])(O)OP(=O)(O)O[CH-][C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)[O-][PH-](=O)(O)O)O PENTANOYLCOA-CPD C[C@@H]1CC[C@@H](CC1=O)C(=C)C CPD-10042 C[C@@H]1c2c3c4c5c(c2O)C(=O)C[C@]6(c5c7c8c4[C@](CC(=O)c8c(c9c7[C@H](O6)[C@H](O[C@@H]9C)C)O)(O[C@@H]3[C@H](O1)C)O)O XANTHOAPHIN CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/c4ccc(c(c4)O)O)O CAFFEOYL-COA C[C@@]\1([C@@H](C/2=N/C1=C\C3[C@H](C(C(=N3)/C=C\4/[C@H](C(/C(=C/C5=N/C(=C2)/[C@@]([C@@H]5CCC(=O)[O-])(C)CC(=O)N)/N4[Ni+])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)N CPD-7590 CCCCCCCCCCCCOS(=O)(=O)[O-] CPD-8876 C1CCCCC1 CPD-8923 C(COP(=O)([O-])OCC(CO)O)[NH3+] L-1-GLYCEROPHOSPHORYLETHANOL-AMINE CCNc1nc(nc(n1)Cl)N CPD-805 c1cc(ccc1C(=C(Cl)Cl)c2ccc(cc2)Cl)Cl DICHLOROBIS-CPD c1cc(ccc1/C=C\C(=O)[O-])O CIS-P-COUMARATE CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O ARACHIDONYL-COA C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H]([NH+]2C1)C[C@@H]4[C@@]3(CC[C@]5([C@H]4CC=C6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)O)O)O)O)C)C)C)C CPD-9216 CC(=CCc1c(cc(c2c1OCC(C2=O)c3ccc(cc3O)O)O)[O-])C KIEVITONE-CPD C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C CPD-8896 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O BETA-D-FRUCTOSE C[C@]1(CCC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])CO)C(=O)[O-] CPD-10332 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]2O)O)O)CO)O)O)O)O CPD-221 CC(C)C(=O)C1=C(C(=C([C@@](C1=O)(CC=C(C)C)O)[O-])CC=C(C)C)O CPD-7108 CC1[C@H](C([C@H](C(O1)OC2CC3CCC4[C@@H](C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)O)OC7[C@@H](C([C@@H](C(O7)CO)O)O)O CPD-10541 CC1=C[C@@H]2[C@H](CC1)C(=CC[C@H]2C(C)C)C CPD-8798 C1CCC(=O)C1 CYCLOPENTANONE C1C(OP(=O)(O1)[O-])CO CPD-540 Cc1c(c(c(c(c1O)OC)OC)O)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)/CC/C=C(\C)/CCC=C(C)C CPD-9957 CCC1CCCCC1O CPD-10087 COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@@H]2c3cc(c(cc3CC[NH2+]2)O)O)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O DEACETYLIPECOSIDE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/CO)O OH-CROTONYL-COA C(CC(=O)C(=O)[O-])C[NH3+] 5-AMINO-2-OXOPENTANOATE 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(CCC(=O)C4)C)C CPD-1082 C([C@H](C(=O)[O-])[NH3+])Cl CHLORALAN-CPD c1ccc(c(c1)C=O)[N+](=O)[O-] CPD-9059 c1ccnc(c1)c2ccccn2 CPD-8819 C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O 15-ANHYDRO-D-FRUCTOSE COc1cc(ccc1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)/C=C/C(=O)/C=C(/C=C/c4ccc(c(c4)OC)OC5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)\O CPD-6625 C(CC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])[C@@H](C(=O)[O-])[NH3+] GAMMA-GLUTAMYL-D-GLUTAMATE C/C(=C\CNc1c2c(ncn1)n(cn2)C[C@@H](C(=O)[O-])[NH3+])/CO CPD-669 C(CCC/C=C\CC=O)CCCC(=O)[O-] 12-OXO-CIS-9-DODECENOATE CC1=CC(=O)c2c(cccc2O)C1=O CPD-4461 COc1cc(ccc1O)[C@H]2CC(=O)c3c(cc(cc3O2)[O-])O CPD-7071 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O N-METHYLANTHRANILOYL-COA Cc1cc(=O)c2c(cc(cc2o1)O)O CPD-0 Cc1cccc(c1)CO 3-METHYLBENZYL-ALCOHOL C1C(CN=C1C(=O)[O-])O CPD-1128 c1ccc2c(c1)C(=O)C(=O)N2 ISATIN CC1=C(C(=O)CO1)[O-] CPD-10204 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=S)([O-])[O-])O)O)N ATPGAMMAS c1cc(ccc1C(=O)/C=C(/c2ccc(cc2O)O)\[O-])O LICODIONE-II C(=O)(N)NC(=O)[O-] CPD-578 c1cc(c(cc1C(=O)Oc2cc(cc(c2C(=O)[O-])O)O)O)O 2-PROTOCATECHUOYLPHLOROGLUCINOLCARBOXYLA C(Cl)(Cl)Cl CPD-843 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CC(CCC[NH3+])[NH3+])O)O)N CPD0-1406 c1ccc(cc1)[C@@H]2CC(=O)c3c(cc(cc3O2)[O-])O CPD-6991 COP(=S)([O-])OC CPD-8974 C[C@H](C(=O)[O-])[C@@](C)(C(=O)[O-])O CPD-61 c1(nc([nH]c(=O)n1)[O-])N CPD-7400 C[C@H](CC[C@H](C)C(C)C)C1CCC2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C CPD-8134 c1c(cc(c(c1O)O)Cl)O 6-CHQ CC(=CCSC[C@@H](C(=O)[O-])[NH3+])C S-PRENYL-L-CYSTEINE CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(C(=O)[O-])[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8409 CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CPD-7799 C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1[NH2+][C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CO VALIDAMYCIN-A CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C CPD-9726 CC(=CCc1c(cc2c(c1O)c(=O)c(co2)c3ccc(cc3O)O)OC)C 7-O-METHYLLUTEONE Cc1cc2ccccc2nc1 CPD-962 CC(CCNc1c2c([nH]cn2)ncn1)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O CPD-4617 CCCCCCCCCCCCCCCCCCCCCCCC/C=C/CC(=O)C CPD-8493 C(CC=O)CC(=O)[O-] CPD-280 C(C(C(=O)[O-])S)C(=O)[O-] CPD0-1262 C[C@]1([C@H](CC[C@@]2([C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])C=O)O)C(=O)[O-] CPD-6201 C/[NH+]=C(\N)/NCCCC(C(=O)[O-])[NH3+] N-METHYLARGININE CO[C@H]1[C@@H]([C@H]([C@H]([C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)O CPD-8048 c1c(c(c(c(c1Cl)Cl)[O-])O)Cl CPD-10622 c1ccc(cc1)/C=C/C(=O)NCCc2c[nH]c3c2cc(cc3)O CPD-8937 CCCCCCSCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+] CPD0-1455 C[C@H](CCCOS(=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 CPD-7262 c1cc(c(cc1F)C(=O)[O-])N CPD0-1487 c1ccc(cc1)S(=O)(=O)[O-] BENZENESULFONATE C[C@@H]1[C@H](C([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)O)O)O CPD-10544 C=CC1SCC=CS1 CPD-9295 C(C(=O)[O-])S(=O)(=O)[O-] CPD-10246 CC(C(=O)C)C(=O)[O-] CPD-7707 c1cc(ccc1[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O)O CPD-10413 c1cc(nc2c1C(C(C=C2)O)O)O 256-TRIHYDROXY-56-DIHYDROQUINOLINE C[NH+]1CCC[C@@H]1c2cccnc2 R-NICOTINE c1ccc2c(c1)C(C(=O)N2)(CC(=O)NC(CC(=O)[O-])C(=O)[O-])O 3-HYDROXY-2-OXINDOLE-3-ACETYL-ASP C([C@H](C1[C@@H]([C@@H](C(=O)O1)O)O)O)O CPD-9062 C/C(=C\CNc1c2c(ncn1)n(cn2)[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/CO CPD-4613 c1cc(c(cc1[C@H]2CC(=O)c3c(cc(cc3O2)[O-])O)O)O CPD-6994 CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC CPD-8423 CCCOC(=O)c1cc(c(c(c1)O)O)O CPD-6542 CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)[O-] CPD-8117 CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)/C)/C)C NEUROSPORENE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1ccccc1O)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9863 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4O)O 6-HYDROXYCYCLOHEX-1-ENE-1-CARBONYL-COA COc1cccc2c1c(=O)c3c(cc4c(c3o2)C5C=COC5O4)OC CPD-7157 Cc1cc(c([nH]c1=O)/C=C\C(=O)C(=O)[O-])O CPD-983 CC1C(C(C(O1)n2ccc(=O)[nH]c2=O)O)O CPD0-1319 c1cc(ccc1C[C@@H](C(=O)[O-])/N=C\C=C\2/C[C@H](NC(=C2)C(=O)[O-])C(=O)[O-])O CPD-8670 c1c(=O)cc(oc1C(=O)[O-])C(=O)[O-] CPD0-1272 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC CPD-7768 CC1=CC(=O)CC(C1(/C=C/C(=O)C)O)(C)C --6-HYDROXY-3-OXO-ALPHA-IONONE C[C@]12C[C@H](C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@](C4)(C(=C)C5)O)C(=O)[O-])OC2=O)O CPD-236 CC(=O)CC1CCC[NH+]1C CPD-7995 CCl CPD-845 CC(C)([C@@H](C(=O)[O-])[NH3+])S L-PENICILLAMINE C1CCC(=O)OCC1 CPD-101 c1ccc2c(c1)C(=O)c3ccc(c(c3C2=O)O)O ALIZARIN C([C@@H]1[C@@H]([C@H](C(=O)O1)O)O)O D-XYLONO-14-LACTONE CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1C(C(C(OC1OP(=O)([O-])[O-])COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)OC4(CC(C(C(O4)C(CO)O)O)O)C(=O)[O-])O)C(=O)[O-])OP(=O)([O-])[O-])OC(=O)CC(CCCCCCCCCCC)O)NC(=O)CC(CCCCCCCCCCC)O)O)OC(=O)CC(CCCCCCCCCCC)O CPD-3861 Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C)C=C)/C=C\3/C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C)CCC(=O)[O-])CCC(=O)[O-] 1516-DIHYDROBILIVERDIN CP(=O)(CCC[NH3+])[O-] 3-AMINOPROPYL-METHYL-PHOSPHINATE C(O)S(=O)(=O)O CPD-10560 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OC(=O)CN)O)O)N CPD-9993 C1[C@@H]2N(C1=O)C(/C(=C/C=O)/O2)C(=O)[O-] CPD-9260 CC1=C(C(CCC1O)(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)O)C)\C)\C)/C)/C CPD-7853 CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC CPD-8395 c1cc(c(cc1Cl)O)N CPD-9158 c1nc(c2c(n1)n(cn2)C[C@H](CO)O)N S-9-23-DIHYDROXYPROPYL-ADENI CC(=C)C=C CPD-9436 Cc1ccc2cc[nH]c2c1 6-METHYL-INDOLE C/C=C/1\C(=O)C(=C(O1)C)[O-] CPD-10206 C[NH+]1CCc2cc(c(cc2C[C@H]1Cc3cc(c(c(c3)OC)OC)O)O)OC CPD-9790 CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC CPD-8316 C[C@@H]1CC(=O)C=C([C@]12CC[C@H](C2)C(=C)C)CO CPD-4741 CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CCC[C@H](C(=O)[O-])[NH3+] CPD-9123 C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)[O-])C)C)(C)C(=O)[O-])O CPD-9474 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/c4cc(c(c(c4)OC)O)O)O 5-HYDROXY-FERULOYL-COA C1C[C@H](N2[C@@H]1CC2=O)C(=O)[O-] CPD-9371 CCCCCCCCCCCCCCCCC HEPTADECANE-CPD CC(=CC/C=C(/C)\C=C)C CPD-4903 C(CCC[NH3+])CCC[NH3+] 17-DIAMINOHEPTANE CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-9452 C/C(=C/Cc1c(ccc2c1O[C@@H]3COc4cc(c(cc4[C@@H]3C2=O)OC)OC)[O-])/CO CPD-9536 CC[C@H]1C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)[O-])C)CCC(C)C[C@H](C)[C@H](Cc2ccccc2)OC)C(C)C)C)C(=O)[O-] CPD-10388 CCCN(CCC)C(=O)SCC CPD-9360 C(CONC(=[NH2+])N)C(=O)N CPD-6944 C[C@H](CCC(=C)C(C)C)C1CCC2[C@@]1(CCC3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C EPISTEROL c1cc(c(cc1O)O)c2coc3cc(cc(c3c2=O)O)[O-] CPD-6641 CCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCC=O CPD-8467 c1cc2c(cco2)c3c1ccc(=O)o3 CPD-9815 c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O NARINGENIN-7-O-BETA-D-GLUCOSIDE CC(CO)[N+](=O)[O-] CPD-8150 c1c(c(=O)[nH]c(=O)[nH]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CPD-497 CC1=CC[C@@H]2[C@@H]3C1[C@]2(CCC3C(C)C)C CPD-8801 CCCCCCCCCCCC=O CPD-7880 CC1=C2[C@@]([C@@H](C(C1)O)C[C@H]3[C@](C[C@@H]2O)(CC[C@@H](C3=C)OC(=O)C)C)(C)C CPD-9194 C=C(C(=O)[O-])Oc1cccc(c1N)C(=O)[O-] CPD-9914 CC1=CC(=O)CC([C@@]1(/C=C/C(=C\C(=O)[O-])/C)O)(C)C CPD-7731 [C@@H]1([C@@H](O1)C(=O)[O-])C(=O)[O-] CPD-562 c1cn(c(=S)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O CPD0-1037 CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C4=CCCCC4)O CPD-533 CCCCCC(/C=C/C1C=CC(=O)C1CCCCCCC(=O)[O-])O CPD-1911 CC(C(=O)C1CNc2c(c(=O)[nH]c(n2)N)N1)O 6-LACTOYL-5678-TETRAHYDROPTERIN C(C([C@@H]1C(=C(C(=O)O1)O)[O-])O)O CPD-318 C/C=C\1/CN2[C@H]3Cc4c5cc(ccc5[nH]c4[C@@H]2C[C@H]1C3CO)O CPD-4243 CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)C CPD0-1367 C([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)COP(=O)([O-])[O-])O)O)O)O CPD-1244 c1cc(c(cc1[C@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O)O CPD-10291 Cc1c[nH]c2c1cccc2 SKATOLE CCC\1=C(c2/cc\3/c(c(c4/n3[Mg]n5c(/cc1\n2)c(c6c5/c(c/7\nc(\c4)C(=C7CCC(=O)[O-])C)/[C@H](C6=O)C(=O)OC)C)C)C=C)C MONO-VINYL-PROTOCHLOROPHYLLIDE-A C(C(C(O)OP(=O)(O)OCC(C(O)OP(=O)(O)OCC(O)OP(=O)(O)O)O)O)O GLYCEROPHOSPHATEN1 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O CPD-8348 [C@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)[NH3+] CPD-180 CCCCCCCCCCCCCCCCCC/C=C/CCC CPD-7911 Cc1c(ccc(c1O)O)[N+](=O)[O-] CPD-9142 CC(C)(C1Cc2c(ccc3c2oc(=O)cc3)O1)O CPD-9799 c1ccc2c(c1)c3ccccc3s2=O CPD-943 c1ccc(cc1)Cc2c(ncc(n2)c3ccc(cc3)O)NC(=O)Cc4ccc(cc4)O OXIDIZED-OPLOPHORUS-LUCIFERIN COn1cc(c2c1cccc2)C/C(=N/OS(=O)(=O)[O-])/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O 1-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE CC(=C)[C@@H]1CCC(=CC1)CO CPD-261 CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-])OO 5Z8Z11Z13E-15S-15-HYDROPEROXYICOS c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@H]3[C@H](O2)COP(=O)(O3)[O-])O CPD-683 C[C@]1(CC2[C@@](CC[C@@]3(C2=CCC4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C(=O)[O-])C)O)O)C)C)C)(CC1)C(=O)[O-])C CPD-9483 C(C[C@](CC(=O)[O-])(C(=O)[O-])O)C(=O)[O-] CPD-150 CN(CCCOc1ccc(cc1Cl)Cl)CC#C CPD-7656 CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@H](CO1)[NH3+])O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD0-1189 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H](C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)[NH3+])O)O)O CPD-10223 CC(=O)NC(CCCNC(=O)CP(=O)(O)[O-])C(=O)[O-] CPD-7225 c1cc2cccc3c2c(c1)[C@@H]([C@H]3O)O --TRANS-ACENAPHTHENE-12-DIOL C1C[C@H]([NH2+][C@@H]1CC(=O)[O-])C(=O)[O-] CPD-9369 C(NC(=O)N)NC(=O)N METHYLENEDIUREA C1C[C@H](N2[C@H]1CC2=O)C(=O)[O-] CPD-9376 C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O PSICOSE C[C@@]12CCC[C@@]([C@H]1C[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)O)(C)C(=O)[O-] CPD1F-136 CC1=CCC[C@]2([C@H]1C[C@H](CC2)C(C)C)C CPD-8809 CCCCC/C=C\[C@@H](/C=C\CCCCCCCC(=O)[O-])OO CPD-7114 c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O CPD-9187 c1cc(c(cc1C=C2C(=O)c3c(cc(cc3O2)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])O)O CPD-8634 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC CPD-7777 CC(C)CC=O CPD-7031 CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)NC2CCC(N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)Cc3ccc(c(c3)Cl)O)C)[C@@H](C)O)O)CCc4ccc(cc4)O)NC(=O)[C@@H](CCC(=O)N)NC=O)C CPD-10368 c1ccc2c(c1)C(=O)c3ccc(c(c3C2=O)O)O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O)CO)O)O 1-HYDROXY-2-BETA-D-GLUCOSYLOXY-910-AN CCCCCCCCCCCCCCCCCCCCCC(=O)C CPD-7899 CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCCCCC4CC4CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O CPD1G-854 C([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O CPD-356 C[C@H]1[C@H](C[C@@H]([C@H](O1)O)O)O CPD-9388 CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC CPD-7784 C[C@@H]1CC=CC2=CC[C@H](C[C@@]12C)C(=C)C CPD-8813 COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2c3c(c4ccccc4[nH]3)CC[NH2+]2)C=C)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O STRICTOSIDINE CCCCCCCCCCCCCCCCCCCCCC(=O)[O-] DOCOSANOATE C[C@H]1CC[C@@H](OC(=O)C1)C(C)C CPD-10108 CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1O)O)(C)C BACCATIN-III C[C@H]1CC[C@H](C[C@H]1O)C(=C)C CPD-10031 C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@H]2[C@@H]([C@H]([C@@H](C(O2)OC3=Cc4c(cc(cc4O=C3c5ccc(cc5)O)O)O)O)O)O)O)O)O CPD-7144 C[C@@]1(CO[C@@H]([C@@H]([C@H]1[NH2+]C)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)C[NH3+])[NH3+])[NH3+])[NH3+])O GENTAMICIN-C1A c1ccc2c(c1)C(C(=O)N2)CC(=O)[O-] 2-OXINDOLE-3-ACETIC-ACID CCC(C)CCC/C=C/CC(=O)NC(CC(=O)[O-])C(=O)NC(C(C)C(=O)[O-])C(=O)NC(CC(=O)[O-])C(=O)NCC(=O)NC(CC(=O)[O-])C(=O)NCC(=O)NC(C(C)[NH3+])C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(C)C2C(=O)N3CCCCC3C(=O)N2 CPD-5221 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4ccc(s4)[O-])O 5-HYDROXYTHIOPHENE-2-CARBONYL-COA CCCCC/C=C/C(=O)N(CCCNC(=O)CC(CC(=O)NCCCN(C(=O)C)O)(C(=O)[O-])O)O CPD-1021 CSC[C@@H]1[C@H](C[C@@H](O1)OP(=O)([O-])[O-])O CPD-7298 C[S+](C)CCC(=O)[O-] SS-DIMETHYL-BETA-PROPIOTHETIN C#CCNCCCCNCC#C CPD-10695 c1ccc(cc1)C(C(=O)[O-])[NH3+] D-PHENYLGLYCINE c1c(cc(c(c1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)c3cc(c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)OC(=O)c5cc(c(c(c5)O)O)O)O)O)OC(=O)c6cc(c(c(c6)OC(=O)c7cc(c(c(c7)O)O)O)O)O)OC(=O)c8cc(c(c(c8)O)O)O CPD-8955 CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O CPD-7884 *[C@H]1C[C@@H]([C@H](O1)CO)OP(=O)([O-])[O-] DEOXYNUCLEOSIDE-3-PHOSPHATE c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])O QUERCETIN-337-TRISSULFATE Cc1ccc2c(c1)[C@@H](CC=C2C)C(C)C CPD-8808 CCCCCCCCCCCCCCCCCCCCCCCCC CPD-7944 C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C ZYMOSTEROL C(C=O)S(=O)(=O)[O-] SULFOACETALDEHYDE C[N+](C)(C)CCCC[C@@H](C(=O)[O-])[NH3+] N6N6N6-TRIMETHYL-L-LYSINE Cc1cc(c2ccccc2c1O)O MENADIOL CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C L-OCTANOYLCARNITINE C([C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O)O L-GALACTOSE C([C@@H](C(=O)[O-])[NH3+])S(=O)(=O)[O-] L-CYSTEATE CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])O[C@@H]2[C@@H]([C@H]([C@H](CO2)[NH3+])O)O)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)OP(=O)([O-])O[C@@H]6[C@@H]([C@H]([C@H](CO6)[NH3+])O)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC L-ARA4N-MODIFIED-KDO2-LIPID-A c1cc(c[n+](c1)O)[O-] HYDROXYPYRIDINE-N-OXIDE NN HYDRAZINE OS(=O)[O-] HSO3 CC(=C)[C@@H]1[C@H]2[C@@]([C@@H]3[C@]([C@]4([C@@H]([C@@]5([C@H]([C@@](CCC5)(C)C)CC4)C)CC3)C)(CC2)C)(CC1)C HOP-2229-ENE c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N GDP-L-GALACTOSE CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O GAMMA-LINOLENOYL-COA 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)COP(=O)([O-])[O-])O)O DIACETYLCHITOBIOSE-6-PHOSPHATE *[C@H]1C[C@@H]([C@H](O1)CO)OP(=O)(O)OCC2[C@H](CCO2)OP(=O)(O)OCC3[C@H](CCO3)O DEOXYNUCLEOTIDESM c1cc(nc(c1)C(=O)[O-])C(=O)[O-] CPD-4841 CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4C(=O)[O-])O)C)C CPD-4702 C(CS(=O)(=O)[O-])SC[C@@H](C(=O)[O-])[NH3+] CPD-467 CC(CCCc1ccccc1)/C=C/CCC(=O)O[C@@H]2[C@H]([C@]3(O[C@@H]([C@]([C@@]2(O3)C(=O)[O-])(C(=O)[O-])O)C(=O)[O-])CCCC(C(C)Cc4ccccc4)OC(=O)C)O CPD-4585 O[V](=O)=O CPD-4584 CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CCC(=O)C4)C)C CPD-4581 CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4C=O)O)C)C CPD-4580 CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@H]4CO)O)C)C CPD-4579 C[C@H]1C2CCC3=C([C@]2(CCC1=O)C)CC[C@]4(C3CCC4C(C)CCC=C(C)C)C CPD-4578 CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C(=O)[O-])O)C)C CPD-4577 CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)C=O)O)C)C CPD-4576 CC(CCC=C(C)C)C1CCC2[C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H]([C@@]4(C)CO)O)C)C CPD-4575 CC(C1[C@@]2([C@](C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)(CC1)C=O)C)CCC=C(C)C CPD-4573 CC(C1[C@@]2([C@](C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)(CC1)CO)C)CCC=C(C)C CPD-4568 [O-][Te](=O)[O-] CPD-4544 CC(C)[C@](CCC[NH+](C)CCc1ccccc1)(C#N)c2ccccc2 CPD-4543 C[C@H](CCC[NH+](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 CPD-4542 CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCC[NH+](C)C)/c3ccccc3 CPD-4541 CC[NH+](CC)CCOc1ccc(cc1)C(Cc2ccc(cc2)Cl)(c3ccc(cc3)C)O CPD-4522 c1ccc(c(c1)C[NH2+]CC2CCC(CC2)C[NH2+]Cc3ccccc3Cl)Cl CPD-4521 c1cc2c(cccc2Cl)c(c1)S(=O)(=O)NCCCCCC[NH3+] CPD-4507 CN1C=CN(C=C1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F CPD-4506 CCCCCCCCCCCCC[NH+]1CC(OC(C1)C)C CPD-4505 C[C@@H]1C[NH+](C[C@@H](O1)C)CC(C)Cc2ccc(cc2)C(C)(C)C CPD-4504 CC(=O)N1CCN(CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl CPD-4503 c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl CPD-4501 O[Cr](=[O-])(=O)[O-] CPD-4422 CC(=CCOP(=O)([O-])OP(=O)([O-])[O-])C CPD-4211 C1[C@H](NC(S1)CS(=O)(=O)[O-])C(=O)[O-] CPD-418 C(C(=O)C(=O)[O-])S(=O)(=O)[O-] CPD-380 CC1=CC(=O)c2ccccc2C1=O CPD-3766 C([C@@H](C(=O)[O-])O)S(=O)(=O)[O-] CPD-367 C([C@@H](C(=O)[O-])OP(=O)([O-])[O-])S(=O)(=O)[O-] CPD-366 C(C([C@@H]1[C@H]([C@@H](C(=O)O1)O)O)O)O CPD-330 CSCC[C@H](C(=O)[O-])[NH3+] CPD-218 c1ccc(cc1)C[C@H](C(=O)[O-])[NH3+] CPD-216 C1(C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)O CHLORDECONE-ALCOHOL CC(=O)OCC(C(c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl CHLORAMPHENICOL-3-ACETATE 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 CHITOBIOSE CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O CAPSAICIN C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-] ALPHA-GLUCOSE-16-BISPHOSPHATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@H](CO)O)O)O)O)O)O)N ADP-L-GLYCERO-D-MANNO-HEPTOSE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)[C@@H](CO)O)O)O)O)O)O)N ADP-D-GLYCERO-D-MANNO-HEPTOSE CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](CCCC(=O)[O-])OO 6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6 C(C(=O)[C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O 5-DEHYDROGLUCONATE C[C@H](CCC=C(C)C)C1CCC2[C@@]1(CCC3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C 5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL CC(C1[C@@]2(C(=CC1)C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)C)CCC=C(C)C 44-DIMETHYL-CHOLESTA-812-24-TRIENOL CC(C1[C@@]2(C(C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)CC1)C)CCC=C(C)C 44-DIMETHYL-824-CHOLESTADIENOL C[C@@H]1[C@H](CC[C@]2(C1CCC3=C2CC[C@]4(C3CCC4[C@H](C)CCC=C(C)C)C)C)O 4-METHYL-824-CHOLESTADIENOL C[N+](C)(C)CCCC([C@@H](C(=O)[O-])[NH3+])O 3-HYDROXY-N6N6N6-TRIMETHYL-L-LYSINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)O)C(=O)[O-])/C)/C)/C)/C)/C)C 3-HEXAPRENYL-45-DIHYDROXYBENZOATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)C(=O)[O-])/C)/C)/C)/C)/C)C 3-HEXAPRENYL-4-HYDROXY-5-METHOXYBENZOATE C(CC/C=C\CC(/C=C/C=C/C=C\C(CCCC(=O)[O-])O)O)CCO 20-OH-LTB4 C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)C(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O 2-HYDROXYPHYTANOYL-COA *O[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)C)O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)O 13-BETA-D-GALACTOSYL-14-ALPHA-L-FU C=C(C(=O)[O-])OP(=O)(C(=O)[O-])[O-] 1-CARBOXYVINYL-CARBOXYPHOSPHONATE CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O TETRADECANOYL-COA O=S=O SULFUR-DIOXIDE C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] S-NITROSOGLUTATHIONE C[C@@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O S-3-HYDROXYBUTANOYL-COA COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CC[NH+]3C[C@@H]4C=C)O QUININE C1=C[C@@H]([C@@H]([C@H]1[NH2+]CC2=C3C(=NC(=NC3=O)N)N=C2)O)O QUEUINE *C(=O)C1CCCN1* PROCOLLAGEN-L-PROLINE CCCCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O OLEOYL-COA *[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])[O-])O)O NUCLEOSIDE-PHOSPHATE C[NH+]1CCC[C@H]1c2cccnc2 NICOTINE *C(C(=O)O)NC(=O)C(C(=O)CCCCCCCCCCCCC)N N-TETRADECANOYLGLYCYL-PEPTIDE *O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1C(=O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O*)COS(=O)(=O)O)OS(=O)(=O)O)O N-DESULFOHEPARIN CC(=O)Nc1ccccc1 N-ACETYLARYLAMINE CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N)CO)O)O N-ACETYL-BETA-GLUCOSAMINYLAMINE *O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)OC2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O N-ACETYL-BETA-D-GLUCOSAMINYL-12-ALPHA-D C[C@H]1[C@@H]2[C@H](N(CN2c3c([nH]c(nc3=O)N)N1)c4ccc(cc4)C[C@@H]([C@@H]([C@@H](CO[C@@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O)C METHYLENETETRAHYDROMETHANOPTERIN C[NH2+]CC(c1ccc(c(c1)O)O)O L-EPINEPHRINE C1[C@H](NC2=CC(=O)C(=O)C=C21)C(=O)[O-] L-DOPACHROME II IODINE-MOLECULE *C(C(=O)O)NC(=O)CN GLYCYL-PEPTIDE *C(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(/C=C/CCCCCCCCCCCCCCCCC)O GLYCOSYL-N-ACYLSPHINGOSINE 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)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@H]([C@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O)O)O)O)O GLYCOPROTEIN-PHOSPHO-D-MANNOSE CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OP(=O)([O-])OC[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]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)NC(=O)C)NC(=O)C[C@@H](C(=O)N)NC(=O)C)CO)CO)CO)O)O)O)CO)O)O GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP **O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(=O)C)O GLYCOPROTEIN-ETCETERA-GALACTOSAMINYL-GAL *O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC3(C[C@@H]([C@H]([C@H](O3)[C@H]([C@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)O)O GLYCANO-26-ETCETERA-GLYCOPROTEIN *O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(=O)O)O GLYCANO-13-ETCETERA-GLYCOPROTEIN C(CC(=O)NC(CSS(=O)(=O)[O-])C(=O)NCC(=O)[O-])C(C(=O)[O-])[NH3+] GLUTATHIONE-SULFITE *C(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)OS(=O)(=O)O)O)C(/C=C/CCCCCCCCCCCCC)O GALACTOSYLCERAMIDE-SULFATE *C(=O)NC(CO[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[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C)O)NC(=O)C)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O FORSSMAN-HAPTEN CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)[O-])n2ccc(=O)[nH]c2=O)[NH3+])C(=[NH2+])N DEAMINOHYDROXYBLASTICIDIN-S C(C1C(C(C(C(O1)O)O)O)O)OP(=O)([O-])[O-] D-HEXOSE-6-PHOSPHATE 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(CCC[C@]2(C)C)C)\C)\C)/C)/C CPD1F-129 c1ccc(cc1)/C(=C/C=C/C(=O)C(=O)[O-])/O CPD-613 C([C@H](C(=O)[O-])[NH3+])OP(=O)([O-])[O-] CPD-3722 c1cc(cc(c1)Cl)C(=O)NCC(=O)[O-] CPD-3487 c1cc(cc(c1)Cl)C(=O)[O-] CPD-3486 CC([C@@H](c1cccc(c1)Cl)O)[NH2+]C(C)(C)C CPD-3484 CC(C(=O)c1cccc(c1)Cl)[NH2+]C(C)(C)CO CPD-3483 C[C@@H]([C@@H](c1cccc(c1)Cl)O)[NH2+]C(C)(C)C CPD-3482 CC(C(=O)c1cccc(c1)Cl)[NH2+]C(C)(C)C CPD-3481 c1cc(cnc1)/C=C/CC(=O)[O-] CPD-3194 c1cc(cnc1)C(CCC(=O)[O-])O CPD-3193 c1cc(cnc1)C(=O)CCC(=O)[O-] CPD-3192 CNC(=O)CCC(=O)c1cccnc1 CPD-3191 c1cc(cnc1)C(=O)CCC(=O)N CPD-3190 C[NH2+]CCCC(=O)c1cccnc1 CPD-3189 c1cc(cnc1)[C@@H]2CCC(=O)N2CO CPD-3188 C[NH+]1CCC[C@]1(c2cccnc2)O CPD-3187 C[N+]1=CCC[C@H]1c2cccnc2 CPD-3186 CN1[C@@H](CCC1=O)c2cccn(=O)c2 CPD-3185 C[n+]1cccc(c1)[C@@H]2CCC[NH+]2C CPD-3183 c1cc(ccc1/C=C/C(=O)c2ccc(cc2O)O)O CPD-3041 CN1[C@@H](C[C@H](C1=O)OC2C(C(C(C(O2)C(=O)[O-])O)O)O)c3cccnc3 CPD-2752 CN1C(=O)CC[C@]1(c2cccnc2)O CPD-2751 CN1[C@@H](C[C@H](C1=O)O)c2cccnc2 CPD-2750 c1cc(cnc1)[C@@H]2CCC(=O)N2 CPD-2749 c1cc(cnc1)[C@@H]2CCC[NH2+]2 CPD-2748 CN1[C@@H](CCC1=O)c2ccc[n+](c2)C3C(C(C(C(O3)C(=O)[O-])O)O)O CPD-2747 C[NH+]1CCC[C@H]1c2ccc[n+](c2)C3C(C(C(C(O3)C(=O)[O-])O)O)O CPD-2744 CN1(=O)CCC[C@H]1c2cccnc2 CPD-2743 CN1[C@@H](CCC1=O)c2cccnc2 CPD-2742 c1ccc2c(c1)ccc(=O)o2 COUMARIN C[C@]12CC[C@@H](CC1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)OS(=O)(=O)[O-] BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT CC(=O)NC1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE *O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)O AN-ALPHA-L-FUCOSIDE CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O)O ALPROSTADIL CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H]2C[C@@H](O2)O1)C/C=C\CCCC(=O)[O-])O ALPHA11-ALPHA-EPOXY-15-HYDROXYTHROMBA *O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@]2(C[C@@H]([C@H](C(O2)[C@H](C(CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@]4(C[C@@H]([C@H](C(O4)[C@H](C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C ALPHA-N-DIACETYLNEURAMINYL-23-BETA-D-ETC *O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(C[C@@H]([C@H](C(O3)[C@@H](C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C ALPHA-N-ACETYLNEURAMINYL-ETCETERA-GALACT *O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(C[C@@H]([C@H](C(O3)[C@H](C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C ALPHA-N-ACETYLNEURAMINYL-ETCETERA *O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O[C@]2(C[C@@H]([C@H](C(O2)[C@@H](C(CO)O[C@]3(C[C@@H]([C@H]([C@@H](O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA 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)CO[C@]3(C[C@@H]([C@H](C(O3)[C@@H](C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)O ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA *O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@@]2(CC([C@@H]([C@H](O2)O)NC(=O)C)[C@@H](C(CO)O)O)C(=O)O ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA *O[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[C@]3(C[C@@H]([C@H](C(O3)[C@@H](C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C ALPHA-N-ACETYLNEURAMINYL-23-BETA-ETCETER CC(Cc1ccc(cc1)O)(C(=O)[O-])[NH3+] ALPHA-METHYL-TYROSINE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)([O-])[O-] ALPHA-GLC-6-P *O[C@H]1[C@H](C([C@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O ALPHA-D-MANNOSYL-13-R1-BETA-D-MANNOSY CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)C ALL-TRANS-HEXAPRENYL-DIPHOSPHATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)C ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1NC(=O)C[C@@H](C(=O)[O-])[NH3+])CO)O)O ACETYL-ETCETERA-L-ASPARAGINE *NC A-METHYLATED-AMINE *[C@H](CO)O A-L-GLYCOL *CC(=O)CC(=O)[O-] A-3-OXO-ACID *C(C=O)O A-2-HYDROXYCARBONYL-COMPOUND CC(=O)C(=O)C1CNc2c(c(=O)[nH]c(n2)N)N1 6-PYRUVOYL-5678-TETRAHYDROPTERIN C1C(=NC2C(N1)N=C(NC2=O)N)[C@@H]([C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O 6-1S2R-12-DIHYDROXY-3-TRIPHOSPHOOXY CCCCCC(/C=C/C1C(CC(=O)C1C/C=C/CCCC(=O)[O-])O)O 5Z13E-15S-1115-DIHYDROXY-9-OXOPROS c1c2cc([nH]c2cc(c1O)O)C(=O)[O-] 56-DIHYDROXYINDOLE-2-CARBOXYLATE C[C@H](CCC[C@@H](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)CO 5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL 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(CC[C@H](C4)O)C)O)O)C 5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP C[N+](C)(C)CCCC=O 4-TRIMETHYLAMMONIOBUTANAL C(CC(=O)N)CNC(=[NH2+])N 4-GUANIDO-BUTYRAMIDE C[C@](CO)([C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O)O)O 4-CYTIDINE-5-DIPHOSPHO-2-C c1cc(cnc1)CCCC(=O)[O-] 4-3-PYRIDYL-BUTANOATE c1cc(cnc1)CC(=O)[O-] 3-PYRIDYLACETIC-ACID COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CC[NH+]3C[C@@]4(C=C)O)O 3-HYDROXYQUININE C([C@H](C(=O)[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] 23-DIPHOSPHOGLYCERATE C[C@](CO)([C@@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(nc2=O)N)O)O)O)OP(=O)([O-])[O-] 2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET CC(C)(c1ccccc1)N2CCCCC2 2-PHENYL-2-1-PIPERDINYLPROPANE C(=C/C(=O)[O-])\C=C(C(=O)[O-])C(=O)[O-] 2-CARBOXYMUCONATE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1C([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)O)C(C(=O)NCCC(=O)NCCS)O 2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO- CCCCCC(=O)/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)[O-])O 13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1 *OCC(=O)COP(=O)([O-])[O-] 1-ALKYL-GLYCERONE-3-PHOSPHATE 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)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C UBIQUINONE-10 O[W](=O)(=O)[O-] TUNGSTATE C(CC(=O)N[C@@H](CSCO)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] S-HYDROXYMETHYLGLUTATHIONE C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])OC[C@H]([C@H]([C@H](CN1c2cc(ccc2Cc3c1[nH]c(=O)[nH]c3=O)O)O)O)O RED-COENZYME-F420 c1cc(c(c(c1)O)O)O PYROGALLOL C1C2C(C(=O)C3C(O2)Nc4c(c(=O)[nH]c(n4)N)N3)OP(=O)(O1)[O-] PRECURSOR-Z C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OP(=O)([O-])OC[C@H]([C@H]([C@H](Cn1c2cc(ccc2cc-3c(=O)[n-]c(=O)nc13)O)O)O)O OX-COENZYME-F420 CN(=O)(C)c1ccccc1 NN-DIMETHYLANILINE-N-OXIDE C(C(=O)[O-])NC=[NH2+] N-FORMIMINO-GLYCINE CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1O)COP(=O)([O-])[O-])O)O N-ACETYL-D-GALACTOSAMINE-6-PHOSPHATE C(CCC(=O)NCCCCCC(=O)[O-])CC[NH3+] N-6-AMINOHEXANOYL-6-AMINOHEXANOATE C[C@H]1[C@@H](N(c2c([nH]c(nc2=O)N)N1)C)[C@@H](C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])O[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O METHYL-THMPT *[C@@H](C(=O)NC(*)C(=O)N[C@@H](*)C(=O)O)NC(=O)C(CCSC)N METHIONYL-PEPTIDE C#N HCN C(CC(=O)N)[C@H](C(=O)[O-])[NH3+] GLUTAMIDE *[C@@H](C(=O)NC(*)C(=O)N[C@@H](*)C(=O)O)NC(=O)C(CCSC)NC=O FORMYL-L-METHIONYL-PEPTIDE C(=C(/C(=O)[O-])\O)\C(=O)[O-] ENOL-OXALOACETATE [C@H]1([C@H]([C@H]([C@H]([C@@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)O D-MYO-INOSITOL-1-MONOPHOSPHATE C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)[NH3+])O)O)OP(=O)([O-])[O-] D-GALACTOSAMINE-6-PHOSPHATE C(CC=O)CNC(=[NH2+])N CPD-825 C(CC(=O)C(=O)[O-])CNC(=[NH2+])N CPD-824 c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCC(CO)O)O)O CPD-606 C1=N=CNC1=O CPD-60 C(CC(=O)[O-])CNC(=[NH2+])N CPD-592 c1c([nH]c[nH+]1)N CPD-54 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2)C[C@H]([C@H]([C@H](CO)O)O)O CPD-316 C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)OP(=O)([O-])[O-] CPD-2961 N=N#N CPD-2841 C(C(C(=O)C(C(COP(=O)([O-])[O-])O)O)O)O CPD-26 C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-206 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)c4ccc(cc4)O)O CPD-201 CC(=O)CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD-20 CC(=O)CC(CC(=O)[O-])O CPD-19 C1C(CC(=O)C=C1O)O CPD-17 c1c(cc(cc1O)O)O CPD-16 CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)[O-])n2ccc(nc2=O)N)[NH3+])C(=[NH2+])N BLASTICIDIN-S CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])O[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)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C ACETYL-ETCETERA-GLUCOSAMINYLDIPHOSPHOUND CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C ACETYL-D-GLUCOSAMINYLDIPHOSPHO-UNDECAPRE c1[nH]c(c(n1)NC(=O)N)C(=O)[O-] 5-UREIDO-4-IMIDAZOLE_CARBOXYLATE C(C1C(C(C(O1)[NH3+])O)O)OP(=O)([O-])[O-] 5-P-BETA-D-RIBOSYL-AMINE c1[nH]c(c([nH+]1)C(=O)[O-])N 4-AMINO-5-IMIDAZOLE_CARBOXYLATE C(C(=O)C(=O)[O-])S(=O)[O-] 3-SULFINYL-PYRUVATE C(C(C(C1C(N(c2c(c(=O)[nH]c(n2)N)N1)O)O)O)O)OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] 2-AMINO-ETCETERA-TRIPHOSPHATE CC(=O)C(=O)C1=N[c-]2c(nc(nc2=O)N)N(C1O)O 2-AMINO-ETCETERA-DIHYDROXYPTERIDINE C(C(C(C1C(N(c2[c-](c(=O)nc(n2)N)N1)O)O)O)O)O 2-AMINO-4-OXO-6-123-TRIHYDROXYPROP C(C(C(C1(C(N(c2[c-](c(=O)nc(n2)N)N1O)O)O)O)O)O)O 2-AMINO-4-OXO-4-ALPHA-HYDROXY- c1c(cc(c(c1O)O)O)O 1235-TETRAHYDROXYBENZENE [Zn+2] ZN+2 C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)([O-])[O-] XYLULOSE-5-PHOSPHATE C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O XYLOSE C([C@H](C([C@H](CO)O)O)O)O XYLITOL c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)[nH]c(=O)[nH]c2=O XTP c1nc2c(n1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)[nH]c(=O)[nH]c2=O XANTHOSINE-5-PHOSPHATE c1nc2c(n1C3C(C(C(O3)CO)O)O)[nH]c(=O)[nH]c2=O XANTHOSINE c1[nH]c2c(n1)[nH]c(=O)[nH]c2=O XANTHINE [O-]P(=O)OP(=O)[O-] X-PYROPHOSPHATE-GROUP OP(=O)[O-] X-PHOSPHATE-GROUP O WATER COc1cc(ccc1O)C=O VANILLIN CC(C)[C@@H](C(=O)[O-])[NH3+] VAL c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O UTP c\1c\2/c(c(c(n2)/cc\3/c(c(c(n3)/cc\4/c(c(c(n4)/cc\5/c(c(c1n5)CCC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-] UROPORPHYRIN_III C1c2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c1[nH]5)CCC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-] UROPORPHYRINOGEN-III c1c(nc[nH]1)/C=C/C(=O)[O-] UROCANATE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O URIDINE C(=O)(N)N UREA c12c([nH]c(=O)[nH]1)[N-]C([N-]C2=O)O URATE c1c[nH]c(=O)[nH]c1=O URACIL CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C UNDECAPRENYL-P CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C UNDECAPRENYL-DIPHOSPHATE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O UMP CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)[NH3+])O UDP-OHMYR-GLUCOSAMINE CCCCCCCCCCC[C@H](CC(=O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C)O UDP-OHMYR-ACETYLGLUCOSAMINE C[C@H](C(=O)[O-])O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C UDP-N-ACETYLMURAMATE CC(=O)N[C@@H]1[C@H]([C@H]([C@H](OC1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)CO)O)O UDP-N-ACETYL-GALACTOSAMINE CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)CO)O)O UDP-N-ACETYL-D-GLUCOSAMINE C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C UDP-MURNAC-TETRAPEPTIDE CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)C(=O)[O-])O)O UDP-MANNACA CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)CO)O)O UDP-MANNAC c1c[n@@](c(=O)[nH]c1=O)C2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H](CO3)NC=O)O)O)O)O UDP-L-ARA4-FORMYL-N c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)[O-])O)O)O)O)O UDP-GLUCURONATE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O UDP-D-XYLOSE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H](O3)[C@@H](CO)O)O)O)O)O UDP-D-GALACTO-14-FURANOSE CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)CO)O)OC(=C)C(=O)[O-] UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C UDP-AAGM-DIAMINOHEPTANEDIOATE C[C@@H](C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C UDP-AA-GLUTAMATE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H](CO3)[NH3+])O)O)O)O UDP-4-AMINO-4-DEOXY-L-ARABINOSE c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O UDP 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 UBIQUINONE-8 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O TYR Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O TTP c1ccc2c(c1)c(c[nH]2)CC[NH3+] TRYPTAMINE C(CCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)[O-])[NH3+])C[NH2+]CCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)[O-])[NH3+] TRYPANOTHIONE c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)[O-])[NH3+] TRP C[S+](C)C TRIMETHYLSULFONIUM C[NH+](C)C TRIMETHYLAMINE CN(=O)(C)C TRIMENTHLAMINE-N-O C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O)O)O)O)O TREHALOSE-6P C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O TREHALOSE C/C(=C\C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)/CC(=O)[O-] TRANS-3-METHYL-GLUTACONYL-COA C1=C(C(=O)C=C(C1=O)[O-])C[C@@H](C=O)N TOPAQUINONE CC1=CC=C[C@@H]([C@@H]1O)O TOLUENECISDHDIOL Cc1ccccc1 TOLUENE Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O TMP Cc1c(scn1)CCOP(=O)([O-])[O-] THZ-P Cc1c(scn1)CCO THZ Cc1c[nH]c(=O)[nH]c1=O THYMINE Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)CO)O THYMIDINE C[C@H]([C@@H](C(=O)[O-])[NH3+])O THR [C-3]S THIOL-GROUP C(C(=O)[O-])S THIOGLYCOLATE Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)([O-])OP(=O)([O-])[O-] THIAMINE-PYROPHOSPHATE Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)([O-])[O-] THIAMINE-P Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO THIAMINE C(CSC[C@@H](C(=O)[O-])[NH3+])[NH3+] THIALYSINE c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NC[C@H]2CNc3c(c(=O)[nH]c(n3)N)N2 THF C1CCS(=O)C1 TETRAHYDROTHIOPHENE-1-OXIDE C1CCSC1 TETRAHYDROTHIOPHENE CC(C(C1CNc2c(c(=O)[nH]c(n2)N)N1)O)O TETRA-H-BIOPTERIN Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)NC(=O)C)O)O)O TDP-FUC4NAC Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)[NH3+])O)O)O TDP-D-FUCOSAMINE Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O TDP C(CS(=O)(=O)[O-])[NH3+] TAURINE C(=O)C(C(=O)[O-])O TARTRONATE-S-ALD [C@@H]([C@H](C(=O)[O-])O)(C(=O)[O-])O TARTRATE C([C@@H]1[C@@H]([C@@H](C(O1)(CO)O)O)O)OP(=O)([O-])[O-] TAGATOSE-6-PHOSPHATE C([C@@H]1[C@@H]([C@@H](C(O1)(COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-] TAGATOSE-1-6-DIPHOSPHATE CCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O T2-DECENOYL-COA CCCCC/C=C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@H]([C@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O T2-C4-DECADIENYL-COA [O-]=O SUPER-OXIDE [O-]S(=O)(=O)[O-] SULFATE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)CO)O)O)O)O SUCROSE-6P C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O SUCROSE C1=C[C@H]([C@H](C(=C1)C(=O)CCC(=O)[O-])C(=O)[O-])O SUCCINYL-OH-CYCLOHEXADIENE-COOH C(CC(=O)[O-])C=O SUCC-S-ALD CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-])O SUC-COA C(CC(=O)[O-])C(=O)[O-] SUC C1CCC2C(C1)CCC3C2CCC4C3CCC4 STERONE-RING CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O STEAROYL-COA CC(=CCC/C(=C/CC/C(=C\CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C)/C)/C)C SQUALENE CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)[NH3+])O SPHINGOSINE C(CC[NH2+]CCC[NH3+])C[NH2+]CCC[NH3+] SPERMINE C(CC[NH2+]CCC[NH3+])C[NH3+] SPERMIDINE C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O SORBITOL [O-]S(=O)[O-] SO3 C[C@]1(/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc(\[nH]2)/[C@H]1CCC(=O)[O-])C(=C5CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])/[C@@]([C@@H]3CCC(=O)[O-])(C)CC(=O)[O-])CC(=O)[O-] SIROHYDROCHLORIN C[C@@]1([C@@H](C2=CC3=N4C(=Cc5c(c(c6n5[Fe]47N2C1=CC8=N7C(=C6)C(=C8CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])[C@H]([C@]3(C)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] SIROHEME C1[C@H]([C@@H]([C@@H](C=C1C(=O)[O-])OP(=O)([O-])[O-])O)O SHIKIMATE-5P C1[C@H]([C@@H]([C@@H](C=C1C(=O)[O-])O)O)O SHIKIMATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OC(=O)[C@H](CO)N)O)O)N SERYL-AMP C([C@@H](C(=O)[O-])[NH3+])O SER OP(=[Se])([O-])[O-] SEPO3 C1C[Se][Se]C1CCCCC(=O)O SELENOLIPOATE C(C[Se])C(C(=O)[O-])[NH3+] SELENOHOMOCYSTEINE O[Se](=O)O SELENITE O[Se](=O)(=O)O SELENATE C(C[Se]CC(C(O)O)[NH3+])[NH3+] SELENALYSINE C[NH2+]CC(=O)[O-] SARCOSINE C(CC[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-])C[C@@H](C(=O)[O-])[NH3+] SACCHAROPINE [O-][SH-](=O)[SH-](=O)[O-] S2O4 [O-]S(=O)(=O)S S2O3 c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)[O-])[NH3+])O)O S-TUBERCIDINYLHOMOCYSTEINE CC(C(=O)SCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])O S-LACTOYL-GLUTATHIONE c1nc2c(c(n1)N)[nH]nc2C3C(C(C(O3)CSCCC(C(=O)O)N)O)O S-FORMYCINYLHOMOCYSTEINE C[C@@](CC(=O)[O-])(C(=O)[O-])O S-CITRAMALATE C(C(C(=O)[O-])[NH3+])SCC(=O)[O-] S-CARBOXYMETHYL-D-CYSTEINE C[S+](CCC(C(=O)[O-])[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S-ADENOSYLMETHIONINE C[S+](CCC[NH3+])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S-ADENOSYLMETHIONINAMINE C[S+](CCC(=O)C(=O)[O-])C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE CC(=O)SC(CCCCC(=O)N)CCS S-ACETYLDIHYDROLIPOAMIDE c1cc(c(cc1N(=O)=O)N(=O)=O)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] S-24-DINITROPHENYLGLUTATHIONE C([C@H]([C@H](C(=O)CO)O)O)OP(=O)([O-])[O-] RIBULOSE-5P C([C@@H]1[C@H]([C@H](C(O1)O)O)O)OP(=O)([O-])[O-] RIBOSE-5P C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O RIBOSE-1P C([C@@H]1[C@H]([C@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-] RIBOSE-15-BISPHOSPHATE Cc1cc2c(cc1C)n(c-3nc(=O)[n-]c(=O)c3n2)CC(C(C(CO)O)O)O RIBOFLAVIN C([C@H]([C@H]([C@H](CO)O)O)O)O RIBITOL C[C@@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O RHAMNULOSE-1P C[C@@H]([C@H]([C@@H](C(=O)CO)O)O)O RHAMNULOSE C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O RHAMNOSE CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C RETINAL Cc1c(c(c2ccccc2c1O)O)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 REDUCED-MENAQUINONE C(CC(=O)[O-])[C@H](C(=O)[O-])O R-2-HYDROXYGLUTARATE c1cc(c(nc1)C(=O)[O-])C(=O)[O-] QUINOLINATE C1[C@@](C[C@H]([C@@H]([C@@H]1O)O)O)(O)C(=O)[O-] QUINATE Cc1c(c(c(c(c1O)OC)OC)O)C/C=C(\C)/CCC=C(C)C QH2 OP(=O)([O-])[O-] Pi CC(=O)C(=O)[O-] PYRUVATE C1[C@H](C=N[C@@H]1C(=O)[O-])O PYRROLINE-HYDROXY-CARBOXYLATE OP(=O)([O-])OP(=O)([O-])[O-] PYROPHOSPHATE-GROUP c1cncnc1 PYRIMIDINE-RING Cc1c(c(c(cn1)COP(=O)([O-])[O-])CO)O PYRIDOXINE-5P Cc1c(c(c(cn1)CO)CO)O PYRIDOXINE Cc1c(c(c(cn1)COP(=O)([O-])[O-])C[NH3+])O PYRIDOXAMINE-5P Cc1c(c(c(cn1)CO)C[NH3+])O PYRIDOXAMINE Cc1c(c(c(cn1)COP(=O)([O-])[O-])C=O)O PYRIDOXAL_PHOSPHATE Cc1c(c(c(cn1)CO)C=O)O PYRIDOXAL c1ccncc1 PYRIDINE-RING c1c[nH]nc1 PYRAZOLE c1cnc(cn1)C(=O)[O-] PYRAZINOIC-ACID c1cnc(cn1)C(=O)N PYRAZINAMIDE C(CC[NH3+])C[NH3+] PUTRESCINE c1c2c(nc[nH]2)ncn1 PURINE-RING c1c2c([nH]cn2)ncn1 PURINE c1cnc2c(n1)cncn2 PTERIDINE-RING c1c(c(=O)[nH]c(=O)[nH]1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O PSEUDOURIDINE-5-P C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-] PRPP Cc1/c/2c/c3n/c(c\c4c(c(c([nH]4)/cc/5\nc(/cc(/c1CCC(=O)[O-])\[nH]2)C(=C5C)CCC(=O)[O-])C)C=C)/C(=C3C=C)C PROTOPORPHYRIN_IX Cc1c2[nH]c(c1CCC(=O)[O-])Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)C=C)C)C=C)C)CCC(=O)[O-] PROTOPORPHYRINOGEN [H+] PROTON Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Fe+2]n2c(c1CCC(=O)[O-])/cc/6\nc(\c5)C(=C6CCC(=O)[O-])C)C)C=C)C(=C3C=C)C PROTOHEME CCCCCC(/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)[O-])OO2)O PROSTAGLANDIN-H2 CCC(=O)OP(=O)([O-])[O-] PROPIONYL-P CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O PROPIONYL-COA CCC(=O)[O-] PROPIONATE CCCO PROPANOL C1C[C@H]([NH2+]C1)C(=O)[O-] PRO C1=C[C@@](C=C[C@@H]1O)(C(=O)[O-])CC(=O)C(=O)[O-] PREPHENATE 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)C)C PREGNENOLONE c1c2c([nH]c1C(=O)[O-])-c3c(cc(nc3C(=O)C2=O)C(=O)[O-])C(=O)[O-] PQQ OP(=O)([O-])OP(=O)([O-])[O-] PPI c1cc2cc3ccc(n3)cc4ccc(n4)cc5ccc(n5)cc1n2 PORPHYRIN-RING c1c(c(c([nH]1)C[NH3+])CC(=O)[O-])CCC(=O)[O-] PORPHOBILINOGEN CC(=CCC/C=C/COP(=O)([O-])OP(=O)([O-])[O-])C POLYPRENYL-PPI c1ccnc(c1)C(=O)[O-] PICOLINATE c1ccc(c(c1)C(=O)[O-])C(=O)[O-] PHTHALATE C(COP(=O)([O-])[O-])[NH3+] PHOSPHORYL-ETHANOLAMINE C[N+](C)(C)CCOP(=O)([O-])[O-] PHOSPHORYL-CHOLINE c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N/C=N\CC(=O)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O)C(=O)N PHOSPHORIBULOSYL-FORMIMINO-AICAR-P c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)/N=C/N[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)C(=O)N PHOSPHORIBOSYL-FORMIMINO-AICAR-P c1nc(c(n1C2C(C(C(O2)COP(=O)([O-])[O-])O)O)NC=O)C(=O)N PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N)C(=O)[O-] PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE c1nc2c(=N)n(cnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O PHOSPHORIBOSYL-ATP c1nc2c(=N)n(cnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O PHOSPHORIBOSYL-AMP C=C(C(=O)[O-])OP(=O)([O-])[O-] PHOSPHO-ENOL-PYRUVATE OP(=O)([O-])[O-] PHOSPHATE-GROUP c1ccc(cc1)C2C(=O)NC(=O)N2 PHENYLHYDANTOIN c1ccc(cc1)C(=O)C=O PHENYLGLYOXAL c1ccc(cc1)CC[NH3+] PHENYLETHYLAMINE c1ccc(cc1)C(C[NH3+])O PHENYLETHANOLAMINE c1ccc(cc1)CC(=O)[O-] PHENYLACETATE c1ccc(cc1)CC=O PHENYLACETALDEHYDE c1ccc(cc1)CC(=O)C(=O)[O-] PHENYL-PYRUVATE c1ccc(cc1)O PHENOL c1ccc2c(c1)ccc3c2cccc3 PHENANTHRENE-RING c1ccc(cc1)C[C@@H](C(=O)[O-])[NH3+] PHE C(C1C(C(C(O1)O)O)O)O PENTOSE-RING c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[O-] PENTACHLOROPHENOL CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-] PARATHION c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OS(=O)(=O)[O-])OP(=O)([O-])[O-])O)N PAPS CC1(COC(=O)[C@@H]1O)C PANTOYL-LACTONE CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O PANTOTHENATE CC(C)(COP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCS)O PANTETHEINE-P CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O PALMITYL-COA CCCCCCCCCCCCCCCC(=O)[O-] PALMITATE CCCCCCCCCCCCCCCC=O PALMITALDEHYDE [O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] P4I [O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] P3I c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N)C(=O)NC(CC(=O)[O-])C(=O)[O-] P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE c1cc(ccc1N(=O)=O)[O-] P-NITROPHENOL c1cc(ccc1CC(=O)C(=O)[O-])O P-HYDROXY-PHENYLPYRUVATE c1cc(ccc1C(=O)[O-])N P-AMINO-BENZOATE O=O OXYGEN-MOLECULE C=CCC(=O)C(=O)[O-] OXOPENTENOATE C(CC(=O)NC(CSSCC(C(=O)NCC(=O)[O-])NC(=O)CCC(C(=O)[O-])[NH3+])C(=O)NCC(=O)[O-])C(C(=O)[O-])[NH3+] OXIDIZED-GLUTATHIONE C(=O)(C(=O)[O-])N OXAMATE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C(=O)[O-])O OXALYL-COA C(C(C(=O)C(=O)[O-])C(=O)[O-])C(=O)[O-] OXALO-SUCCINATE C(=O)(C(=O)[O-])[O-] OXALATE C(C(=O)C(=O)[O-])C(=O)[O-] OXALACETIC_ACID c1c(n(c(=O)[nH]c1=O)C2C(C(C(O2)COP(=O)([O-])[O-])O)O)C(=O)[O-] OROTIDINE-5-PHOSPHATE c1c([nH]c(=O)[nH]c1=O)C(=O)[O-] OROTATE CCCCCCCC/C=C\CCCCCCCC(=O)[O-] OLEATE-CPD C(C(=O)C(=O)[O-])O OH-PYR CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O OH-MYRISTOYL [OH-] OH Cc1c(c(c(c(c1O)O)OC)O)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 OCTAPRENYL-METHYL-OH-METHOXY-BENZQ Cc1c(cc(c(c1C/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)O)OC)O OCTAPRENYL-METHYL-METHOXY-BENZQ CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(cc(c1O)OC)O)/C)/C)/C)/C)/C)/C)/C)C OCTAPRENYL-METHOXY-BENZOQUINONE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)C OCTAPRENYL-DIPHOSPHATE CCCCCCCCO OCTANOL c1ccc(c(c1)C(=O)CCC(=O)[O-])C(=O)[O-] O-SUCCINYLBENZOATE C(COC(=O)CCC(=O)[O-])C(C(=O)[O-])[NH3+] O-SUCCINYL-L-HOMOSERINE C(COP(=O)([O-])[O-])[C@@H](C(=O)[O-])[NH3+] O-PHOSPHO-L-HOMOSERINE c1cc2ccc3cccnc3c2nc1 O-PHENANTHROLINE C1C(C(C(O1)CO)O)O NUKED-PENTOSE-RING c1cc(c(cc1C(C[NH3+])O)O)O NOREPINEPHRINE CN(C)c1ccccc1 NN-DIMETHYLANILINE N#N=O NITROUS-OXIDE N#N NITROGEN-MOLECULE N(=O)[O-] NITRITE [N-]=O NITRIC-OXIDE N(=O)(=O)[O-] NITRATE c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])[O-])O)O)C(=O)[O-] NICOTINATE_NUCLEOTIDE c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N NICOTINAMIDE_RIBOSE c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)C(=O)N NICOTINAMIDE_NUCLEOTIDE c1cc(cnc1)C(=O)[O-] NIACINE c1cc(cnc1)C(=O)N NIACINAMIDE [Ni+2] NI+2 [NH4+].[OH-] NH4OH c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)[O-])O)O NARINGENIN-CMPD c1ccc2ccccc2c1 NAPHTHALENE c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)OP(=O)([O-])[O-])O)O)N)N(=O)=O NAIR c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)([O-])[O-])N NADPH c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O)C(=O)N NADP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N NADH c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OCC4C(C(CO4)O)O)O)O)N NAD-STEM-GROUP c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N NAD C[C@@H](C(=O)[O-])O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O NACMUR [Na+] NA+ CNC(=O)CC[C@@H](C(=O)[O-])[NH3+] N5-METHYLGLUTAMINE C[n+]1c(cc[nH]c1=O)N N3-METHYLCYTOSINE C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])C[NH3+] N2-SUCCINYLORNITHINE C(CC(=O)[O-])[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-] N2-SUCCINYLGLUTAMATE C[n+]1cnc2c(c1N)nc[nH]2 N1-METHYLADENINE CC(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+] N1-ACETYLSPERMINE C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])CC(=O)C(=O)[O-] N-SUCCINYL-2-AMINO-6-KETOPIMELATE C[NH2+]C(Cc1c[nH]c2c1cccc2)C(=O)[O-] N-METHYLTRYPTOPHAN C[NH2+]CC(c1ccccc1)O N-METHYLPHENYLETHANOLAMINE Cn1cc(nc1)CC[NH3+] N-METHYL-HISTAMINE CSCCC(C(=O)[O-])NC=O N-FORMYLMETHIONINE c1ccc(c(c1)C(=O)C[C@@H](C(=O)O)N)NCO N-FORMYLKYNURENINE C(CC(=O)[O-])[C@@H](C(=O)[O-])NC=[NH2+] N-FORMIMINO-L-GLUTAMATE CCN1C(=O)C=CC1=O N-ETHYLMALEIMIDE CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-] N-ALPHA-ACETYLORNITHINE CC(=O)NCCc1c[nH]c2c1cc(cc2)O N-ACETYL-SEROTONIN CC(=O)NCCC(C(=O)[O-])[NH3+] N-ACETYL-L-24-DIAMINOBUTANOATE CC(=O)NC(CCC(=O)OP(=O)([O-])[O-])C(=O)[O-] N-ACETYL-GLUTAMYL-P CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)([O-])[O-])O)O N-ACETYL-D-MANNOSAMINE-6P CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O N-ACETYL-D-MANNOSAMINE CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)([O-])[O-])O)O N-ACETYL-D-GLUCOSAMINE-6-P CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO)O)O N-ACETYL-D-GLUCOSAMINE-1-P CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O N-ACETYL-D-GLUCOSAMINE *C(=O)N[C@@H](CO[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[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O N-ACETYL-D-GALACTOSAMINYL-13-D-GALACT CC(=O)NCCc1c[nH]c2c1cc(cc2)OC N-ACETYL-5-METHOXY-TRYPTAMINE CSCCS(=O)(=O)[O-] Me-CoM [C@@H]1([C@@H]([C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)O)O MYO-INOSITOL COC(=O)/C(=C/C(=O)[O-])/CC(=O)[O-] MONOMETHYL-ESTER-OF-TRANS-ACONITATE [Mo+2] MO+2 [Mn+2] MN+2 [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-])OP(=O)([O-])[O-])O MI-PENTAKISPHOSPHATE [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-])OP(=O)([O-])[O-])OP(=O)([O-])[O-] MI-HEXAKISPHOSPHATE [Mg+2] MG+2 C[C@@](CCO)(CC(=O)[O-])O MEVALONATE CO METOH CSS(=O)(=O)C METHYLMETHANETHIOSULFONATE c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N2C[C@H]3CNc4c(c(=O)nc([nH]4)N)N3C2 METHYLENE-THF CC(C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O METHYL-MALONYL-COA C METHYL-GROUP CC(=O)C=O METHYL-GLYOXAL CC(=O)P(=O)([O-])OC METHYL-ACETYLPHOSPHONATE c1cc(ccc1CCNC(=O)CC[C@@H](C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)CCC([C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OCc2cc(oc2)C[NH3+] METHANOFURAN CC(=C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O METHACRYLYL-COA CSCC[C@@H](C(=O)[O-])[NH3+] MET [C@@H]([C@@H](C(=O)[O-])O)(C(=O)[O-])O MESO-TARTRATE C(C[C@H](C(=O)[O-])[NH3+])C[C@@H](C(=O)[O-])[NH3+] MESO-DIAMINOPIMELATE C/C(=C\C(=O)[O-])/C(=O)[O-] MESACONATE c1ccc(c(c1)CCC(=O)[O-])O MELILOTATE 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)O)O)O)O)O)O)O)O MELIBIOSE C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)([O-])[O-] MANNOSE-6P C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O MANNOSE-1P C([C@H]([C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O)O MANNITOL-1P C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O MANNITOL 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]2O)O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O MALTOTRIOSE 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]2O)O)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)CO)CO)CO)O)O)O)O MALTOTETRAOSE 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]2O)O)O)CO)O)O)O)O MALTOSE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)[O-])O MALONYL-COA C(C=O)C(=O)[O-] MALONATE-S-ALD C(C(=O)[O-])C(=O)[O-] MALONATE C(=C\C(=O)[O-])\C(=O)[O-] MALEATE C([C@@H](C(=O)[O-])O)C(=O)[O-] MAL C(CC[NH3+])C[C@@H](C(=O)[O-])[NH3+] LYS C(C[C@@H](C(=O)[O-])[NH3+])C[C@@H](C(=O)[O-])[NH3+] LL-DIAMINOPIMELATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OC(=O)CCCC[C@@H]4CCSS4)O)O)N LIPOYL-AMP c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OCCCCCC4CCSS4)O)O)N LIPOL-AMP C1CSS[C@@H]1CCCCC(=O)[O-] LIPOIC-ACID C1CSS[C@@H]1CCCCC(=O)N LIPOAMIDE CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O LIPID-IV-A c1cc(c(cc1Oc2c(cc(cc2I)C[C@@H](C(=O)[O-])[NH3+])I)I)O LIOTHYRONINE CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-] LINOLENIC_ACID CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] LEUKOTRIENE-C4 CC(C)C[C@@H](C(=O)[O-])[NH3+] LEU CC(C1[C@@]2([C@](C3=C([C@@]4(C([C@@]([C@H](CC4)O)(C)C)CC3)C)CC2)(CC1)C)C)CCC=C(C)C LANOSTEROL 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]2O)O)O)CO)O)O)O)O LACTOSE C[C@@H](C=O)O LACTALD C([C@@H]([C@H](C(=O)CO)O)O)OP(=O)([O-])[O-] L-XYLULOSE-5-P C([C@@H]([C@H](C(=O)CO)O)O)O L-XYLULOSE C(C(C(C(C=O)O)O)O)O L-XYLOSE c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)C[C@@H](C(=O)O)N L-THYROXINE C[C@@H]([C@@H](C(=O)[O-])N)C(=O)[O-] L-THREO-3-METHYL-ASPARTATE C([C@@H](C(=O)[O-])[NH3+])[Se] L-SELENOCYSTEINE C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)([O-])[O-] L-RIBULOSE-5-P C([C@@H]([C@@H](C(=O)CO)O)O)O L-RIBULOSE C1CC[NH2+][C@@H](C1)C(=O)[O-] L-PIPECOLATE CC(C)(CO)[C@H](C(=O)[O-])O L-PANTOATE C(C[C@@H](C(=O)[O-])[NH3+])C[NH3+] L-ORNITHINE C1[C@@H]([C@H]([C@H]([C@H](O1)O)O)O)O L-LYXOSE C[C@@H](C(=O)[O-])O L-LACTATE c1ccc(c(c1)C(=O)CC(C(=O)[O-])[NH3+])N L-KYNURENINE C([C@@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O L-IDONATE c1c(nc[nH]1)CC(COP(=O)([O-])[O-])[NH3+] L-HISTIDINOL-P C([C@@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O)O L-GULONATE C([C@@H](C=O)O)O L-GLYCERALDEHYDE C(CC(C(=O)[O-])[NH3+])C=O L-GLUTAMATE_GAMMA-SEMIALDEHYDE C(CC(=O)OP(=O)([O-])[O-])C(C(=O)[O-])[NH3+] L-GLUTAMATE-5-P C(CC(=O)NC(CS)C(=O)[O-])C(C(=O)[O-])[NH3+] L-GAMMA-GLUTAMYLCYSTEINE C[C@H]([C@H]([C@H](C(=O)CO)O)O)O L-FUCULOSE C([C@@H](C(=O)[O-])[NH3+])[C@H](C(=O)[O-])O L-ERYTHRO-4-HYDROXY-GLUTAMATE c1cc(c(cc1C[C@@H](C(=O)[O-])[NH3+])O)O L-DIHYDROXY-PHENYLALANINE C(C([C-]1C(=O)C(=O)C(=O)O1)O)O L-DEHYDRO-ASCORBATE C(CSC[C@@H](C(=O)[O-])[NH3+])[C@@H](C(=O)[O-])[NH3+] L-CYSTATHIONINE C(CC(C(=O)[O-])[NH3+])CNC(=O)N L-CITRULLINE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(C[N+](C)(C)C)O)O L-CARNITINYL-COA C([C@@H](C(=O)[O-])[NH3+])C(=O)OP(=O)([O-])[O-] L-BETA-ASPARTYL-P C(C(C(=O)[O-])[NH3+])OC(=O)C=[N+]=N L-AZASERINE C(C=O)[C@@H](C(=O)[O-])[NH3+] L-ASPARTATE-SEMIALDEHYDE C([C@@H](C(=O)[O-])[NH3+])C(=O)[O-] L-ASPARTATE C([C@@H](C1C(=C(C(=O)O1)O)[O-])O)OP(=O)([O-])[O-] L-ASCORBATE-6-PHOSPHATE C(CC(C(=O)[O-])[NH3+])CNC(=[NH2+])NC(CC(=O)[O-])C(=O)[O-] L-ARGININO-SUCCINATE C(O)[C@H](O)[C@@H](O)[C@@H](O)CO L-ARABITOL C[C@@H](C(=O)[O-])[NH3+] L-ALPHA-ALANINE C[C@@H]([C@@H](C(=O)[O-])[NH3+])O L-ALLO-THREONINE C[C@@H](C(=O)NC(CCC(=O)NC(CCC[C@@H](C(=O)[O-])[NH3+])C(=O)[O-])C(=O)[O-])[NH3+] L-ALA-GAMMA-D-GLU-DAP C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)[O-])C(=O)[O-])[NH3+] L-ALA-D-GLU-MESOA2PM CCC[C@@H](C(=O)O)N L-2-AMINOPENTANOIC-ACID C[N+](C)(C)CCOP(=O)([O-])OC[C@@H](CO)O L-1-GLYCERO-PHOSPHORYLCHOLINE CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O KDO2-PALMITOLEOYL-LIPID-IVA CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC KDO2-LIPID-IVA-COLD CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O KDO2-LIPID-IVA CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OP(=O)([O-])[O-])CO[C@@]2(C[C@H]([C@H]([C@H](O2)[C@@H](CO)O)O)O[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC KDO2-LIPID-A CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C@H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)[O-])C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O KDO2-LAUROYL-LIPID-IVA CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H]([C@H]([C@H](O3)[C@@H](CO)O)O)O)C(=O)[O-])OP(=O)([O-])[O-])OC(=O)C[C@@H](CCCCCCCCCCC)O)NC(=O)C[C@@H](CCCCCCCCCCC)O)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O KDO-LIPID-IVA C([C@H]([C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)O)C(=O)C(=O)[O-] KDO-8P C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)C(=O)[O-] KDO [K+] K+ c1[nH]c(=O)c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O ITP C=C(CC(=O)[O-])C(=O)[O-] ITACONATE CC(C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O ISOVALERYL-COA c1ccc(cc1)c2coc3ccccc3c2=O ISOFLAVONE C=C(C(=O)[O-])O[C@H]1C=CC=C([C@@H]1O)C(=O)[O-] ISOCHORISMATE CC(C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O ISOBUTYRYL-COA C(C(=O)[O-])I IODOACETATE [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 INOSITOL-1-3-4-TRIPHOSPHATE c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O INOSINE c1ccc2c(c1)c(c[nH]2)CC(=O)C(=O)[O-] INDOLE_PYRUVATE c1ccc2c(c1)c(c[nH]2)CC(=O)[O-] INDOLE_ACETATE_AUXIN c1ccc2c(c1)c(c[nH]2)CC=O INDOLE_ACETALDEHYDE c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O INDOLE-3-GLYCEROL-P c1ccc2c(c1)cc[nH]2 INDOLE c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O IMP C(C(=N)C(=O)[O-])C(=O)[O-] IMINOASPARTATE [C-2]=[NH2+] IMINO-GROUP c1cnc[nH]1 IMIDAZOLE-RING c1c(nc[nH]1)CC(=O)C(=O)[O-] IMIDAZOLE-PYRUVATE c1c(nc[nH]1)CC(C(=O)[O-])O IMIDAZOLE-LACTATE c1c(nc[nH]1)CC(=O)COP(=O)([O-])[O-] IMIDAZOLE-ACETOL-P CC[C@H](C)[C@@H](C(=O)[O-])[NH3+] ILE c1[nH]c2c(n1)c(=O)[nH]cn2 HYPOXANTHINE C(CS(=O)=O)[NH3+] HYPOTAURINE c1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)CO)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] HYDROXYMETHYLBILANE C(C(=O)[O-])(C(=O)[O-])O HYDROXYMALONATE NO HYDROXYLAMINE [C-3][OH2+] HYDROXYL-GROUP C/C(=C\COP(=O)([O-])OP(=O)([O-])[O-])/CO HYDROXY-METHYL-BUTENYL-DIP c1cc(ccc1O)O HYDROQUINONE OO HYDROGEN-PEROXIDE [HH] HYDROGEN-MOLECULE C(CC(=O)[O-])C1C(=O)NC(=O)N1 HYDANTOIN-5-PROPIONATE C(#N)[S-] HSCN S HS C1COC(=O)C1[NH3+] HOMOSERINE-LACTONE c1cc(c(cc1O)CC(=O)[O-])O HOMOGENTISATE C(CO)[C@@H](C(=O)[O-])[NH3+] HOMO-SER C(CS)[C@@H](C(=O)[O-])[NH3+] HOMO-CYS Cc1ncc(c(n1)N)CO HMP c1c(nc[nH]1)CC(CO)[NH3+] HISTIDINOL c1c(nc[nH]1)CC(C=O)[NH3+] HISTIDINAL c1c([nH]cn1)CC[NH3+] HISTAMINE c1c(nc[nH]1)C[C@@H](C(=O)[O-])[NH3+] HIS [Hg+2] HG+2 Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Fe]n2c(c1CCC(=O)[O-])/cc/6\nc(\c5)C(=C6CCC(=O)[O-])C)C)C(CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)C(=C3C=C)C HEME_O Cc1c2/cc/3\nc(/cc\4/c(c(c5/n4[Fe]n2c(c1CCC(=O)[O-])/cc/6\nc(\c5)[C@]([C@]6(CCC(=O)[O-])O)(C)O)C)C=C)C(=C3C=C)C HEME_D Cc1c2[nH]c(c1CCC(=O)[O-])C=C3C(=C(C(=CC4=C(C(=C(C)[S-])C(=CC5=C(C(=C(C)[S-])C(=C2)[NH2+]5)C)[NH2+]4)C)[NH2+]3)C)CCC(=O)[O-] HEME_C C(=O)(O)[O-] HCO3 Cl HCL C(=O)(O)O H2CO3 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O)O GUANOSINE_DIPHOSPHATE_FUCOSE c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)(O)[O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N GUANOSINE-5DP-3DP c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N GUANOSINE c1[nH]c2c(n1)c(=O)[nH]c(n2)N GUANINE C(C(=O)[O-])NC(=[NH2+])N GUANIDOACETIC_ACID c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N GTP c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N GMP C(=O)C(=O)[O-] GLYOX C(C(=O)[O-])O GLYCOLLATE C(C=O)O GLYCOLALDEHYDE C(CO)O GLYCOL 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 GLYCOCHOLIC_ACID C([C@H](COP(=O)([O-])[O-])O)O GLYCEROL-3P C(C(CO)O)O GLYCEROL C([C@H](C(=O)[O-])O)O GLYCERATE C([C@H](C=O)O)O GLYCERALD C(C(=O)[O-])[NH3+] GLY C(CC[NH2+]CCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)[O-])[NH3+])C[NH3+] GLUTATHIONYLSPERMIDINE C(CC(=O)NC(CS)C(=O)NCC(=O)[O-])C(C(=O)[O-])[NH3+] GLUTATHIONE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)[O-])O GLUTARYL-COA C(CC(=O)[O-])CC(=O)[O-] GLUTARATE C(CC(=O)[O-])[C@@H](C=O)[NH3+] GLUTAMATE-1-SEMIALDEHYDE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/CC(=O)[O-])O GLUTACONYL-COA C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])[NH3+])O)O)O GLUCOSAMINE-1P C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O GLUCONATE C(CC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] GLT CCCCCCC1C(C(=O)N(C(C(=O)NC(C(=O)NC(CC(=O)NC(C(=O)NCC(=O)O1)C(C)O)CO)C(C)CC)CC(C)C)C)C GLOBOMYCIN C(CC(=O)N)[C@@H](C(=O)[O-])[NH3+] GLN C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O GLC-D-LACTONE C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)([O-])[O-] GLC-6-P C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O GLC-1-P C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GLC CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)C GERANYLGERANYL-PP CC(=CCC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)C GERANYL-PP c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])OP(=O)([O-])OP(=O)(O)[O-])O)N GDP-TP c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N GDP-MANNOSE c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N GDP-D-GLUCOSE C[C@H]1C(=O)[C@@H]([C@H]([C@@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O GDP-4-DEHYDRO-6-L-DEOXYGALACTOSE C[C@@H]1C(=O)[C@@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N GDP C([C@H](C=O)O)OP(=O)([O-])[O-] GAP C1=C(C(C(C(C1Cl)Cl)Cl)Cl)Cl GAMMA-PENTACHLOROCYCLOHEXANE C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl GAMMA-HCH CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CCC[N+](C)(C)C)O GAMMA-BUTYROBETAINYL-COA C[N+](C)(C)CCCC(=O)[O-] GAMMA-BUTYROBETAINE C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])O)O)O)O GALACTOSE-1P C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O GALACTOSE C([C@H]([C@@H]([C@@H]([C@H](COP(=O)([O-])[O-])O)O)O)O)O GALACTITOL-1-PHOSPHATE C([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O GALACTITOL C([C@H](C(=O)[O-])O)OP(=O)([O-])[O-] G3P C(=C/C(=O)[O-])\C(=O)[O-] FUM C[C@H]([C@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)O FUCULOSE-1P C(CC[NH2+]CC(=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)C[C@@H](C(=O)[O-])[NH3+] FRUCTOSELYSINE-6-PHOSPHATE C(CC[NH2+]CC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)C[C@@H](C(=O)[O-])[NH3+] FRUCTOSELYSINE C([C@H]([C@H]([C@@H](C(=O)C[NH2+]CC(=O)[O-])O)O)O)O FRUCTOSEGLYCINE C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)([O-])[O-] FRUCTOSE-6P C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)([O-])[O-])O)O)O)OP(=O)([O-])[O-] FRUCTOSE-16-DIPHOSPHATE C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)([O-])[O-])O)O)O)O FRU1P c1cc(ccc1CCNC(=O)CC[C@@H](C(=O)[O-])NC(=O)CCC(C(=O)[O-])NC(=O)CCC([C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])OCc2cc(oc2)CNC=O FORMYL-METHANOFURAN CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC=O)O FORMYL-COA c1nc2c(c(n1)N)NNC2[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O FORMYCIN-A C(=O)[O-] FORMATE C(=O)N FORMAMIDE C=O FORMALDEHYDE c1c(c2c([nH]1)nc([nH]c2=O)N)CF FMPP Cc1cc2c(cc1C)N(c3c(c(=O)[nH]c(=O)[nH]3)N2)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O FMNH2 Cc1cc2c(cc1C)n(c-3nc(=O)[n-]c(=O)c3n2)C[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O FMN COc1cc(ccc1O)/C=C/C(=O)[O-] FERULIC-ACID c1cc2c3c(c1)O[Fe]456(O3)Oc7cccc(c7O4)C(=O)NC8COC(C(COC(C(COC8O)NC2=O)O)NC(=O)c9cccc(c9O5)O6)O FERRIC-ENTEROBACTIN-COMPLEX C1C(O[Fe]234(OC(CC1(C(O2)O)O)O)OC(CC(CC(O3)O)(C(O4)O)O)O)O FERRIC-CITRATE-COMPLEX [Fe+3] FE+3 [Fe+2] FE+2 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)C FARNESYLFARNESYLGERANIOL CC(=CCC/C(=C/CC/C(=C/COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C FARNESYL-PP Cc1cc2c(cc1C)N(c3c(c(=O)[nH]c(=O)[nH]3)N2)CC(C(C(COP(=O)([O-])OP(=O)([O-])OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O FADH2 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OCC(C(C(C[NH3+])O)O)O)O)O)N FAD-STEM-GROUP 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 FAD [F-] F- CCO ETOH CCOC(=[NH2+])C ETHYLACETIMIDATE CCOC(=O)CC(=O)C ETHYL-ACETOACETATE CCOC(=O)[C@H](C)[C@H](C)O ETHYL-2R-METHYL-3S-HYDROXYBUTANOATE CCOC(=O)[C@H](C)C(=O)C ETHYL-2-METHYLACETOACETATE C(CO)[NH3+] ETHANOL-AMINE CC12CCC3c4ccc(cc4CCC3C1CCC2=O)OS(=O)(=O)[O-] ESTRONE-SULFATE CC12CCC3c4ccc(cc4CCC3C1CCC2=O)O ESTRONE C([C@H]([C@H](C=O)O)O)OP(=O)([O-])[O-] ERYTHROSE-4P C(C(C(C(=O)[O-])O)O)OP(=O)([O-])[O-] ERYTHRONATE-4P c1cc(cnc1)/C=N\O EPYRIDALDOX CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@H]1C(O1)(C)C)/C)/C)C EPOXYSQUALENE c1cc(c(c(c1)O)O)C(=O)NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc(c4O)O ENTEROBACTIN c1ccc(cc1)/C=C(/C(=O)[O-])\O ENOL-PHENYLPYRUVATE C(COCCOCCN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-] EGTA C(CN(CC(=O)[O-])CC(=O)[O-])[NH+](CC(=O)[O-])CC(=O)[O-] EDTA CC1=[NH+]CCC(N1)C(=O)[O-] ECTOINE c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O DUTP c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O DUMP c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O DUDP Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)O DTDP-RHAMNOSE Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@H]3[C@@H]([C@@H](C(=O)[C@@H](O3)C)O)O)O DTDP-DEOH-DEOXY-MANNOSE Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H](C(=O)[C@H](O3)C)O)O)O DTDP-DEOH-DEOXY-GLUCOSE Cc1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O DTDP-D-GLUCOSE C(C(C(=O)OP(=O)([O-])[O-])O)OP(=O)([O-])[O-] DPG C1=CC(=O)C(=O)C=C1C[C@@H](C(=O)[O-])[NH3+] DOPAQUINONE c1cc(c(cc1CC[NH3+])O)O DOPAMINE CS(=O)C DMSO c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O DITP c1[nH]c(=O)c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])[O-])O DIMP COC(=N)CCCCCCC(=N)OC DIMETHYLSUBERIMIDATE Cc1cc2c(cc1C)nc[nH]2 DIMETHYLBENZIMIDAZOLE C[NH2+]C DIMETHYLAMINE C[NH+](C)CC(=O)[O-] DIMETHYL-GLYCINE Cc1c(n(c-2nc(=O)[n-]c(=O)c2n1)CC(C(C(CO)O)O)O)C DIMETHYL-D-RIBITYL-LUMAZINE c1ccc2c(c1)c(cc(c2O)C(=O)[O-])O DIHYDROXYNAPHTHOATE C(C(=O)CO)O DIHYDROXYACETONE CC(=O)C(COP(=O)([O-])[O-])O DIHYDROXY-BUTANONE-P C(C(=O)COP(=O)([O-])[O-])O DIHYDROXY-ACETONE-PHOSPHATE C[C@@]\1([C@@H](C\2=N/C1=C\c3c(c(c([nH]3)Cc4c(c(c([nH]4)/C=C\5/[C@H]([C@](/C(=C2)/[NH2+]5)(C)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-] DIHYDROSIROHYDROCHLORIN C1C(=Nc2c(=O)[nH]c(nc2N1)N)COP(=O)([O-])OP(=O)([O-])[O-] DIHYDROPTERIN-CH2OH-PP C1C(=Nc2c(=O)[nH]c(nc2N1)N)[C@@H]([C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O DIHYDRONEOPTERIN-P3 C1C(=Nc2c(=O)[nH]c(nc2N1)N)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O DIHYDRONEOPTERIN-P C1C(=Nc2c(=O)[nH]c(nc2N1)N)[C@@H]([C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O DIHYDROMONAPTERIN-TRIPHOSPHATE C(CCC(=O)N)C[C@H](CCS)S DIHYDROLIPOAMIDE c1cc(ccc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O DIHYDROKAEMPFEROL-CMPD c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NCC2=Nc3c([nH]c(nc3=O)N)NC2 DIHYDROFOLATE c1ccc2c(c1)CCC(=O)O2 DIHYDROCOUMARIN C1C(=Nc2c(=O)[nH]c(nc2N1)N)[C@@H]([C@@H](CO)O)O DIHYDRO-NEO-PTERIN C1=CC(C(C(=C1)C(=O)[O-])O)O DIHYDRO-DIOH-BENZOATE CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O DIGLUCODIACETYL-DOCOSANOATE CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)O)O)O DIGLUCOACETYL-DOCOSANOATE CCCCCCCCCC(CCCCCCCCCCCC(=O)[O-])O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O DIGLUCO-DOCOSANOATE CCOP(=S)([O-])OCC DIETHYLTHIOPHOSPHATE CCOP(=O)([O-])OCC DIETHYLPHOSPHATE c1ccc2c(c1)c(c(c(=O)o2)Cc3c(c4ccccc4oc3=O)[O-])[O-] DICOUMAROL CC(C(CCCCCC(=O)[O-])[NH3+])[NH3+] DIAMINONONANOATE C([C@@H]1[C@H]([C@H]([C@@H](O1)Nc2c(c(=O)[nH]c(n2)N)N)O)O)OP(=O)([O-])[O-] DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR CC(=O)C(=O)C DIACETYL C1CNC(=O)NC1=O DI-H-URACIL C1[C@H](NC(=O)NC1=O)C(=O)[O-] DI-H-OROTATE c1nc2c(=O)[nH]c(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N DGTP c1nc2c(=O)[nH]c(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])[O-])O)N DGMP c1nc2c(=O)[nH]c(nc2n1[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)N DGDP CC1C(NC(=O)N1)CCCCCC(=O)[O-] DETHIOBIOTIN CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H](C(=O)NCCC(=O)NCCS)O DEPHOSPHO-COA CC(=O)[C@H]([C@@H](COP(=O)([O-])[O-])O)O DEOXYXYLULOSE-5P c1cn(c(=O)[nH]c1=O)[C@H]2C[C@@H]([C@H](O2)CO)O DEOXYURIDINE *[NH2+]CC(=O)C(C(C(CO)O)O)O DEOXYMORPHOLINOFRUCTOSE c1[nH]c(=O)c2c(n1)n(cn2)C3CC(C(O3)CO)O DEOXYINOSINE c1nc2c(=O)[nH]c(nc2n1C3CC(C(O3)CO)O)N DEOXYGUANOSINE c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)CO)O DEOXYCYTIDINE c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O)N DEOXYADENOSINE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=CC(=O)c2ccccc2C1=O)/C)/C)/C)/C)/C)/C)/C)C DEMETHYLMENAQUINONE CCCCCCCCCCCCCCCC(=O)C(CO)[NH3+] DEHYDROSPHINGANINE C1[C@H]([C@@H](C(=O)C[C@]1(C(=O)[O-])O)O)O DEHYDROQUINATE C([C@H]([C@@H](COP(=O)([O-])[O-])O)O)C(=O)C(=O)[O-] DEHYDRO-DEOXY-GALACTONATE-PHOSPHATE c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)[O-] DEAMIDO-NAD C([C@H]([C@H](C(=O)CC(=O)[O-])O)O)O DE-O-K-GLUCONATE C([C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)[O-] DE-O-GLUCONATE c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O DCTP c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])[O-])O DCMP c1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O DCDP c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)N DATP c1cc([nH+]c(c1)N)N DAP c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])[O-])O)N DAMP c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)N DADP C([C@H]([C@@H](C(=O)CO)O)O)O D-XYLULOSE c1cc(ccc1C[C@H](C(=O)[O-])[NH3+])O D-TYROSINE C[C@@H]([C@H](C(=O)[O-])[NH3+])O D-THREONINE C(C(=O)[C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O D-TAGATURONATE C(C(C(C(C(COP(=O)([O-])[O-])O)O)O)O)O D-SORBITOL-6-P C([C@H](C(=O)[O-])[NH3+])O D-SERINE C([C@H]([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)O)OP(=O)([O-])[O-] D-SEDOHEPTULOSE-7-P C([C@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O)O D-RIBULOSE-1-P C1C[C@@H]([NH2+]C1)C(=O)[O-] D-PROLINE [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)O D-MYO-INOSITOL-4-PHOSPHATE C[C@H](C(=O)[O-])C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O D-METHYL-MALONYL-COA C([C@H]([C@H]([C@@H]([C@@H](C(=O)[O-])O)O)O)O)O D-MANNONATE C[C@H](C(=O)[O-])O D-LACTATE [C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O D-GLUCARATE C(CC(=O)[O-])[C@H](C(=O)[O-])[NH3+] D-GLT *C(=O)N[C@@H](CO[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[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O D-GALACTOSYL-14-D-GALACTOSYL-14-D- C([C@H]([C@@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O D-GALACTONATE [C@@H]([C@@H]([C@H](C(=O)[O-])O)O)([C@@H](C(=O)[O-])O)O D-GALACTARATE c1c(nc[nH]1)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O D-ERYTHRO-IMIDAZOLE-GLYCEROL-P C([C@H](C(=O)[O-])[NH3+])S D-CYSTEINE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)O D-CARNITINYL-COA C[N+](C)(C)C[C@H](CC(=O)[O-])O D-CARNITINE C([C@H]([C@H]([C@H]([C@@H](C(=O)[O-])O)O)O)O)O D-ALTRONATE C(C(C(C(C(=O)CO)O)O)O)OP(=O)([O-])[O-] D-ALLULOSE-6-PHOSPHATE C([C@@H]([C@@H]([C@@H]([C@@H](C=O)O)O)O)O)OP(=O)([O-])[O-] D-ALLOSE-6-PHOSPHATE C[C@H](C(=O)[O-])[NH3+] D-ALANINE C[C@H](C(=O)N[C@H](C)C(=O)[O-])[NH3+] D-ALA-D-ALA C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)OP(=O)([O-])[O-] D-6-P-GLUCONO-DELTA-LACTONE C(C(C(=O)[O-])O)C(=O)C(=O)[O-] D-4-HYDROXY-2-KETO-GLUTARATE C(CS(=O)(=O)[O-])S CoM c1c[nH]c(=O)nc1N CYTOSINE c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O CYTIDINE C(C(C(=O)[O-])[NH3+])SSCC(C(=O)[O-])[NH3+] CYSTINE C([C@@H](C(=O)[O-])[NH3+])S CYS [Cu+2] CU+2 [Cu+] CU+ c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O CTP C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CROTONYL-COA CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)/C=C/C[N+](C)(C)C)O CROTONOBETAINYL-COA C[N+](C)(C)C/C=C/C(=O)[O-] CROTONO-BETAINE CN1CC(=O)NC1=N CREATININE CN(CC(=O)[O-])C(=[NH2+])NP(=O)([O-])[O-] CREATINE-P CN(CC(=O)[O-])C(=[NH2+])N CREATINE c1ccc(c(c1)/C=C/C(=O)C(=O)[O-])O CPDN-385 c1ccc2c(c1)C=CC(O2)(C(=O)[O-])O CPDN-384 CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)O)O)O)CO)O)O CPD1G-2 Cc1c(n2c(c(c(=O)n2c1=O)C)CSC[C@@H](C(=O)[O-])NC(=O)C)C CPD1G-185 Cc1c(n2c(c(c(=O)n2c1=O)C)CBr)C CPD1G-159 Cc1c(n2c(c(c(=O)n2c1=O)C)CSC[C@H](C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@H]([C@H]([C@@H](C([C@@H]4O)O)O)O)O)CO)O)O)NC(=O)C)C CPD1G-130 CC(=O)N[C@@H](CSC=O)C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)O)O)O)CO)O)O CPD1G-121 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2O)O)O)O)O)NC(=O)[C@H](CS)[NH3+])O)O)O CPD1G-120 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]([C@@H]([C@@H]2O)O)O)O)O)CO)O)O CPD1G-1 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@@H]2O)O)O)O)O)[NH3+])O)O)O CPD1G-0 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)O)O)[O-])O CPD1F-90 c1cc(ccc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O CPD1F-453 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)[O-])O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O CPD1F-437 CC1=CC2=O[Fe]345(O=C(N(O3)CCCC6C(=O)NC(CCCN2O4)C(=O)N6)C=C(C)CCO)O=C(N(O5)CCC(CC(=O)OCC1)NC(=O)C)C=C(C)CCO CPD0-621 C(CN(C=O)O)CP(=O)(O)[O-] CPD0-441 C(CCC(=O)N)C[C@H](CCS)SC(=O)CCC(=O)[O-] CPD0-341 c1c(n(cn1)C2C(C(C(O2)COP(=O)([O-])[O-])O)O)NC(=O)[O-] CPD0-181 c1ccc(c(c1)/C(=C/C=C/C(=O)C(=O)[O-])/[O-])O CPD-928 c1ccc(c(c1)c2cccc(c2O)O)O CPD-927 c1ccc2c(c1)c3ccccc3o2 CPD-926 CC(=O)O[Hg]c1ccccc1 CPD-901 C[C@@H]1[C@@H](N(c2c([nH]c(nc2=O)N)N1)C)C(C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](COC4[C@@H]([C@@H](C(O4)COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O CPD-9 C(CCC(=O)[O-])CC[NH3+] CPD-884 CSCCC(=O)/C(=C/O)/[O-] CPD-85 C([C@H]([C@@H](C(=O)CO)O)O)C(=O)[O-] CPD-827 C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])C=O CPD-822 C[N+]1(CCCC1C(=O)[O-])C CPD-821 C(CC(=O)[O-])C(CC(=O)C(=O)[O-])O CPD-804 C[C@@H]1[C@@H](Nc2c([nH]c(nc2=O)N)N1)C(C)Nc3ccc(cc3)C[C@@H]([C@@H]([C@@H](COC4[C@@H]([C@@H](C(O4)COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])O)O)O)O)O CPD-8 C(/C=C/C=C(/C(=O)[O-])\O)C(=O)[O-] CPD-787 C(CC(=O)[O-])/C=C/C(=O)C(=O)[O-] CPD-786 C(C(/C=C/C(=O)C(=O)[O-])C(=O)[O-])C(=O)[O-] CPD-785 C(/C(=C\C=C(\C(=O)[O-])/O)/C(=O)[O-])C(=O)[O-] CPD-784 C(/C(=C/C=C(\C(=O)[O-])/O)/C=O)C(=O)[O-] CPD-783 c1cc(c(cc1CC(=O)[O-])O)O CPD-782 C(C(=O)[O-])P(=O)(O)[O-] CPD-764 O[As](O)[O-] CPD-763 C1=C(C(OC1=O)CC(=O)[O-])C(=O)[O-] CPD-761 C1=CC(=O)OC1CC(=O)[O-] CPD-741 C1[C@H]2[C@@H]([C@@H](S1=O)CCCCC(=O)[O-])NC(=O)N2 CPD-722 c1cc(ccc1C=O)[N+](=O)[O-] CPD-703 S12[Fe]3S4[Fe]1S5[Fe]2S3[Fe]45 CPD-7 CC1=C2N3[Co+]45[N+]6=C(C(=C7[N+]4=C([C@H]([C@@]7(CC(=O)N)C)CCC(=O)[O-])C=C8[N+]5=C1[C@H]([C@]8(C)C)CCC(=O)[O-])C)[C@H]([C@@]([C@@]6([C@H]3[C@@H]([C@]2(CCC(=O)[O-])C)CC(=O)[O-])C)(CC(=O)N)C)CCC(=O)[O-] CPD-694 CC1=C2N3[Co+]45([N+]6=C(C(=C7[N+]4=C([C@H]([C@@]7(CC(=O)N)C)CCC(=O)N)C=C8[N+]5=C1[C@H]([C@]8(C)C)CCC(=O)N)C)[C@H]([C@@]([C@@]6([C@H]3[C@@H]([C@]2(CCC(=O)[O-])C)CC(=O)N)C)(CC(=O)N)C)CCC(=O)N)CC9OC(C(C9O)O)n1c2ncnc(c2nc1)N CPD-691 C/C/1=C\2/N=C([C@H]([C@@]2(CC(=O)N)C)CCC(=O)[O-])/C=C/3\N=C(/C(=C/4\N([C@@H]([C@@]5(N=C1[C@H]([C@@]5(CC(=O)N)C)CCC(=O)[O-])C)[C@@H]([C@]4(CCC(=O)[O-])C)CC(=O)[O-])[Co+]CC6OC(C(C6O)O)n7c8ncnc(c8nc7)N)/C)[C@H]([C@]3(C)C)CCC(=O)[O-] CPD-690 C(#N)[O-] CPD-69 CC1=C2N3[Co+2]45[N+]6=C(C(=C7[N+]4=C([C@H]([C@@]7(CC(=O)N)C)CCC(=O)[O-])C=C8[N+]5=C1[C@H]([C@]8(C)C)CCC(=O)[O-])C)[C@H]([C@@]([C@@]6([C@H]3[C@@H]([C@]2(CCC(=O)[O-])C)CC(=O)[O-])C)(CC(=O)N)C)CCC(=O)[O-] CPD-689 C/C/1=C\2/[NH2+][C@@H]([C@@]3(N=C(/C(=C/4\N=C([C@H]([C@@]4(CC(=O)N)C)CCC(=O)[O-])/C=C/5\N=C1[C@H]([C@]5(C)C)CCC(=O)[O-])/C)[C@H]([C@@]3(CC(=O)N)C)CCC(=O)[O-])C)[C@@H]([C@]2(CCC(=O)[O-])C)CC(=O)[O-] CPD-688 C/C/1=C\2/[NH2+][C@@H]([C@@]3(N=C(/C(=C/4\N=C([C@H]([C@@]4(CC(=O)[O-])C)CCC(=O)[O-])/C=C/5\N=C1[C@H]([C@]5(C)C)CCC(=O)[O-])/C)[C@H]([C@@]3(CC(=O)[O-])C)CCC(=O)[O-])C)[C@@H]([C@]2(CCC(=O)[O-])C)CC(=O)[O-] CPD-687 CC1C2=NC(CC3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)[O-])CC(=O)[O-])([C@@]([C@@H]4CCC(=O)[O-])(C)CC(=O)[O-])C)/C)/[C@@]([C@@H]3CCC(=O)[O-])(C)CC(=O)[O-])(C(=C2CCC(=O)[O-])C)C CPD-686 C1CC1(C(=O)[O-])[NH3+] CPD-68 C[C@]1([C@H]([C@@H]2[C@]3([C@@]([C@@H](/C(=C/C4=NC(=C([C@]4(C)CC(=O)[O-])CCC(=O)[O-])CC5(C(=C(C(=N5)CC1=N2)CCC(=O)[O-])CC(=O)[O-])C)/[NH2+]3)CCC(=O)[O-])(C)CC(=O)[O-])C)CC(=O)[O-])CCC(=O)[O-] CPD-679 [Se] CPD-678 C[C@@]1(C\2=NC(=C1CC(=O)[O-])[C@]3([C@@]([C@@H](/C(=C/C4=NC(=C([C@]4(C)CC(=O)[O-])CCC(=O)[O-])CC5(C(=C(/C(=C2)/[NH2+]5)CCC(=O)[O-])CC(=O)[O-])C)/N3)CCC(=O)[O-])(C)CC(=O)[O-])C)CCC(=O)[O-] CPD-675 CC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[NH3+] CPD-672 c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NC[C@H]2CNc3c(c(=O)nc([nH]3)N)N2C=N CPD-671 C(C(=O)[O-])OP(=O)([O-])[O-] CPD-67 CC(=O)OCC[C@@H](C(=O)[O-])[NH3+] CPD-667 CCC=O CPD-665 CC(=O)[C@@]12C3=C([C@@](C(=N3)CC4=NC(CC5=C([C@](C(=N5)/C=C(\N1)/[C@H]([C@]2(C)CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])(C(=C4CCC(=O)[O-])CC(=O)[O-])C)(C)CCC(=O)[O-])CC(=O)[O-] CPD-662 C([C@H](C(=O)[O-])O)C(=O)[O-] CPD-660 C(C(=O)C(=O)[O-])(C(=O)[O-])O CPD-66 C1CC(=O)N[C@H]1C(=O)[O-] CPD-656 C(CC(=O)C(=O)[O-])C=O CPD-654 CC(=O)[C@@]12C3=C([C@@](C(=N3)Cc4c(c(c([nH]4)CC5=C([C@](C(=N5)/C=C(\N1)/[C@H]([C@]2(C)CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-] CPD-651 C[C@H](CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O CPD-650 CCCCCCCCCCCCCCCC(C(COP(=O)([O-])[O-])[NH3+])O CPD-649 C([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)C(=O)[O-] CPD-645 C[C@@]12CC(=O)OC13C(c4c(c(c([nH]4)Cc5c(c(c([nH]5)CC6=C([C@](C(=N6)/C=C(/[C@H]2CCC(=O)[O-])\N3)(C)CC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])(C)O CPD-643 C/C/1=C/2\[C@@]([C@@H](/C(=C/C3=N/C(=C\c4c(c(c([nH]4)Cc5c(c(c1[nH]5)CC(=O)[O-])CCC(=O)[O-])CCC(=O)[O-])CC(=O)[O-])/[C@H]([C@]3(C)CC(=O)[O-])CCC(=O)[O-])/[NH2+]2)CCC(=O)[O-])(C)CC(=O)[O-] CPD-642 C[C@@](CCOP(=O)([O-])OP(=O)([O-])[O-])(CC(=O)[O-])O CPD-641 COc1cc(cc(c1OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/CO CPD-63 C[C@H](C(=O)[O-])[C@@](CC(=O)[O-])(C(=O)[O-])O CPD-622 c1cc(c(c(c1)O)O)C(=O)OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O CPD-62 C[C@@]([C@H](CC(=O)[O-])C(=O)[O-])(C(=O)[O-])O CPD-618 Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-] CPD-611 [O-]P1(=O)OP(=O)(OP(=O)(O1)[O-])[O-] CPD-610 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5nc([nH]c6=O)N)O)O)O)O)N CPD-609 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)N CPD-607 Cc1cc2c(cc1C)nc3c(n2)c(=O)[nH]c(=O)[nH]3 CPD-605 C([C@@H]1[C@H]([C@H]([C@@H](O1)Nc2c(c(=O)[nH]c(=O)[nH]2)N)O)O)OP(=O)([O-])[O-] CPD-602 S1[Fe-]S[Fe]1 CPD-6 C(CCNC(=O)N)C[NH3+] CPD-597 CN(C)C(=[NH2+])NCCC[C@@H](C(=O)[O-])[NH3+] CPD-596 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OCC4C5=C(C6C(O4)Nc7c(c(=O)[nH]c(n7)N)N6)S[Mo](=O)(=O)S5)O)O)N CPD-582 C1[C@@H]2[C@H]([C@H](S1)CCCCC(=O)N)NC(=O)N2 CPD-574 CC(=O)NCCC[NH2+]CCCC[NH3+] CPD-568 CSC[C@@H]1[C@H]([C@H](C(O1)O)O)O CPD-560 [O-]S(=O)(=O)SS(=O)(=O)[O-] CPD-552 C(C=O)P(=O)(O)[O-] CPD-551 C(CC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)[O-])[C@@H](C(=O)[O-])[NH3+] CPD-548 CC(C(=O)[O-])C(=O)[O-] CPD-546 C[N+](C)(C)CCOS(=O)(=O)[O-] CPD-543 C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)OP(=O)([O-])[O-])O)O)OP(=O)([O-])[O-] CPD-535 [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-])OP(=O)([O-])[O-])O CPD-534 C([C@@H]([C@H]([C@@H](C(=O)COP(=O)([O-])[O-])O)O)O)O CPD-531 c1cc(c(cc1c2c(c(=O)c3c(cc(cc3o2)O)O)[O-])O)O CPD-520 CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCS)O CPD-511 [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-])O)OP(=O)([O-])[O-])O CPD-506 [C@H]1([C@H]([C@@H]([C@@H]([C@@H]([C@H]1OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O CPD-505 *C(=O)NC(COP(=O)([O-])[O-])C(/C=C/CCCCCCCCCCCCC)O CPD-502 S=[Fe] CPD-5 C[C@@](CCOP(=O)([O-])[O-])(CC(=O)[O-])O CPD-499 C[C@]1(CC(=O)C=C2[C@@H]1[C@@H]([C@]34[C@H]2CC[C@H](C3)C(=C)C4)C(=O)[O-])C(=O)[O-] CPD-498 C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O CPD-488 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(N)[O-])O)O)N CPD-487 C[C@]12C[C@H](C[C@@]3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)C(=C)C5)C(=O)[O-])OC2=O)O CPD-482 CSCCC(=O)C(=O)[O-] CPD-479 c1ccc(c(c1)C(=O)CC(=O)C(=O)[O-])N CPD-476 c1cc(c(cc1[C@@H]2[C@H](C(=O)c3c(cc(cc3O2)[O-])O)O)O)O CPD-474 C(C[NH3+])[C@@H](C(=O)[O-])[NH3+] CPD-470 C(C[C@@H](C(=O)[O-])[NH3+])CC(=O)[O-] CPD-468 CC(=CCC/C(=C/CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC/C=C(\C)/CCC=C(C)C)COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)C CPD-465 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/[C@H]1[C@@H]([C@@]1(C)CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)C CPD-464 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OP(=O)([O-])[O-])O)O)O)O CPD-448 CSC[C@@H]1[C@H]([C@H](C(O1)OP(=O)([O-])[O-])O)O CPD-444 c1ccc(cc1)C(=O)NCC(=O)[O-] CPD-425 C(C[C@@H](C(=O)[O-])NC(=O)CCC(=O)[O-])CNC(=[NH2+])N CPD-421 CCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C CPD-419 COc1ccccc1O CPD-400 C(C1C(=C(C2C(O1)Nc3c(c(=O)[nH]c(n3)N)N2)S)[S-])OP(=O)([O-])[O-] CPD-4 C[S+](C)CC[C@@H](C(=O)[O-])[NH3+] CPD-397 C[n+]1cccc(c1)C(=O)N CPD-396 C(=O)(C(=O)[O-])NC(=O)N CPD-389 [I-] CPD-387 C([C@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O)O CPD-377 C[C@@H](C(=O)C1=N[c-]2c(nc(nc2=O)N)NC1)O CPD-374 CCCCCCCC=O CPD-371 C([C@@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O CPD-369 [C@H]1([C@H]([C@H](C(=O)[C@@H]([C@H]1O)O)O)O)O CPD-365 C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3nc([nH]c4=O)N)O)O)O)O)O CPD-353 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O CPD-352 C[C@](CCO)(CC(=O)[O-])O CPD-350 CC12CCC(=O)C[C@@H]1CCC3C2CCC4(C3CCC4=O)C CPD-342 C([C@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O)OP(=O)([O-])[O-] CPD-339 C[C@H](CC(=O)[O-])O CPD-335 C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C CPD-323 C(C[NH3+])C[NH3+] CPD-313 CC(C(=O)[O-])[NH2+][C@@H](CCCNC(=[NH2+])N)C(=O)[O-] CPD-309 C(C[C@H](C(=O)[O-])[NH2+]C(CCC(=O)[O-])C(=O)[O-])CNC(=[NH2+])N CPD-308 C([C@H](C(=O)[O-])[NH3+])C(=O)[O-] CPD-302 [O-][Mo](=O)(=O)[O-] CPD-3 CC(=O)C[C@H](C(=O)[O-])[NH3+] CPD-299 C(CCC(=O)[O-])C[C@H](CCS)S CPD-296 C(C(=O)/C=C\C(=O)[O-])C(=O)[O-] CPD-294 C1=C[C@H]([C@@H](C=C1)O)O CPD-289 C(=C\C(=O)[O-])\C(=C/C(=O)[O-])\Cl CPD-279 [O-]P=O CPD-27 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)O)C)O)C CPD-266 C(CCNO)C[C@@H](C(=O)[O-])[NH3+] CPD-265 c1cc(ccc1N)O CPD-259 C[C@]1(CC(=O)C=C2[C@@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C(=O)[O-])C(=O)[O-] CPD-251 C1[C@H](C(=O)[N-]O1)[NH3+] CPD-2482 c1ccc(c(c1)C=O)NC=O CPD-248 C(=C\C(=O)[O-])\C(=C/C(=O)[O-])\C(=O)[O-] CPD-245 CC(C)[N+](=O)[O-] CPD-244 c1ccc2c(c1)c(c[nH]2)CC(=O)N CPD-237 C(C(C(C(=O)C(C(=O)[O-])O)O)O)OP(=O)([O-])[O-] CPD-2343 C(C[C@@H](CC(=O)[O-])[NH3+])C[NH3+] CPD-233 C1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O CPD-227 C(/C(=C\C(=O)[O-])/C(=O)[O-])C(=O)[O-] CPD-225 C[C@@H](CC/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)\CC/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)CCOP(=O)([O-])OP(=O)([O-])[O-] CPD-224 c1cn(c(=O)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)C(=O)[O-])O)O)O)O)O CPD-223 C(C[C@H](C(=O)[O-])[NH3+])C[NH3+] CPD-217 [Tl+] CPD-21 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)C[C@@H](C(=O)[O-])O)O CPD-208 CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCSC(=O)Cc4ccccc4)O CPD-207 C(CCC(=O)[O-])CCC(=O)[O-] CPD-205 CCCC(C(=O)[O-])[NH2+]C(C)C(=O)[O-] CPD-2022 CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)[C@H]4CC[C@@H]5[C@@]4([C@H](C[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)O)C CPD-202 CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-196 CCCCCCCC(=O)[O-] CPD-195 c1cc(ccc1N(=O)=O)OP(=O)([O-])[O-] CPD-194 CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C CPD-188 C(/C(=C/C(=O)C(=O)[O-])/C(=O)[O-])C(=O)[O-] CPD-186 c1c(cc(=O)oc1C(=O)[O-])C(=O)[O-] CPD-184 C(#CC(=O)[O-])C(=O)[O-] CPD-1831 c1c(cc(c(c1O)O)O)C(=O)[O-] CPD-183 c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC4[C@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)O)N CPD-1828 C(CC[NH2+]CCCC[NH3+])C[NH3+] CPD-1821 Cc1cc(=O)oc2c1ccc(c2)O CPD-182 Cc1cc(=O)oc2c1ccc(c2)OC(=O)C CPD-181 CCCCC/C=C\C/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O CPD-18 C(C(C(=O)[O-])N)[NH3+] CPD-1782 C(C=O)[NH3+] CPD-1772 C[C@@H](CC(=O)CC(=O)[O-])[NH3+] CPD-159 C1=C(C(C=C(C1Cl)Cl)Cl)Cl CPD-15 [Be+2] CPD-1492 [Sn+2] CPD-1490 [Ag+2] CPD-1486 [Al+3] CPD-1484 CCCCCCCC CPD-148 c1cc(ccc1C(=O)C(=O)[O-])O CPD-142 CN1c2c([nH]c(nc2=O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O CPD-1302 c1cc(ccc1C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)NC[C@H]2CNc3c(c(=O)nc([nH]3)N)N2 CPD-1301 C[C@H]([C@@H](C(=O)[O-])NC(=O)CCCCCCSSCCS(=O)(=O)[O-])OP(=O)([O-])[O-] CPD-1282 C[C@H]([C@@H](C(=O)[O-])NC(=O)CCCCCCS)OP(=O)([O-])[O-] CPD-1281 C([C@@H]1[C@@H](C(=O)[C@H]([C@@H](O1)O)O)O)O CPD-1242 c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O CPD-1181 c1cc(ccc1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)O CPD-1162 c1ccc(c(c1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O CPD-1142 C/C(=C(\CC(=O)[O-])/C(=O)[O-])/C(=O)[O-] CPD-1136 C1[C@@H]([C@H]([C@@H](C(=O)C1=O)O)O)O CPD-1133 [C@@H]1([C@@H]([C@H]([C@H]2[C@@H]([C@@H]1O)OP(=O)(O2)[O-])O)O)O CPD-1121 Cc1cccc(c1)O CPD-112 c1c(cc(c(c1O)O)O)C(=O)Oc2cc(cc(c2O)O)C(=O)[O-] CPD-1118 Cc1cccc(c1O)O CPD-111 C(CP(=O)(O)[O-])[NH3+] CPD-1106 c1ccc(c(c1)C(=O)[O-])O CPD-110 Cc1cn(c(=O)nc1N)[C@H]2C[C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O CPD-1094 CC(=O)C(C(CO)O)O CPD-1093 [C@H](C(=O)[O-])(NC(=O)N)O CPD-1091 Cc1ccccc1O CPD-109 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 CPD-1087 C([C@H]([C@@H]([C@H](COP(=O)([O-])[O-])O)O)O)Nc1c(c(=O)[nH]c(=O)[nH]1)N CPD-1086 COc1cc(ccc1O)C=C CPD-1072 C[C@@H](C[C@@H](CC(=O)[O-])[NH3+])[NH3+] CPD-1067 CSC[C@H]([C@H](C(=O)COP(=O)([O-])[O-])O)O CPD-1063 c1cc(ccc1[C@@H](C(=O)[O-])O)O CPD-106 c1cc(ccc1[C@H](C(=O)[O-])O)O CPD-105 c1c2c(c3c(cc(nc3c(c2O)O)C(=O)[O-])C(=O)[O-])[nH]c1C(=O)[O-] CPD-104 CC(C)c1ccc(cc1)C=O CPD-1003 CC(C)c1ccc(cc1)CO CPD-1002 c1cc(ccc1/C=C/C(=O)[O-])O COUMARATE Cc1c2[nH]c(c1CCC(=O)[O-])Cc3c(c(c([nH]3)Cc4c(c(c([nH]4)Cc5c(c(c([nH]5)C2)C)CCC(=O)[O-])CCC(=O)[O-])C)CCC(=O)[O-])C COPROPORPHYRINOGEN_III c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)[NH+]=CNC[C@H]2O COFORMYCIN CC1=C2[C@@]([C@@H](C3=[N+]2[Co+2]45N6[C@H]([C@@H]([C@@](C6=C(C7=[N+]4C(=C3)C([C@@H]7CCC(=O)N)(C)C)C)(C)CCC(=O)NC[C@@H](C)O)CC(=O)N)[C@@]8([N+]5=C1[C@H]([C@]8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N COBINAMIDE Cc1cc2c(cc1C)N3C=N2[Co]456N7[C@@H]8[C@@H]([C@](C7=C(C9=[N+]4C(=CC1=[N+]5C(=C(C2=[N+]6[C@@]8([C@@]([C@@H]2CCC(=O)N)(C)CC(=O)N)C)C)[C@@]([C@@H]1CCC(=O)N)(C)CC(=O)N)C([C@@H]9CCC(=O)N)(C)C)C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]1[C@H](O[C@H]3[C@@H]1O)CO)[O-])C)C)CC(=O)N COB-I-ALAMIN CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCS)O COA-GROUP CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)NCCS)O CO-A [Co+2] CO+2 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(nc3=O)N)O)O)O CMP-N-ACETYL-NEURAMINATE c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O[C@]3(C[C@H]([C@H](C(O3)C(CO)O)O)O)C(=O)[O-])O)O CMP-KDO c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O CMP [Cl-] CL- C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O CIT CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)C[C@]4(C=CC=C[C@@H]4O)O)O CIS-DIHYDRODIOL-DERIV-PHEAC C(=C\C(=O)[O-])\C=C/C(=O)[O-] CIS-CIS-MUCONATE C(/C(=C/C(=O)[O-])/C(=O)[O-])C(=O)[O-] CIS-ACONITATE c1ccc(cc1)/C=C/CO CINNAMYL-ALC c1ccc(cc1)/C=C/C=O CINNAMALDEHYDE C=C(C(=O)[O-])O[C@@H]1C=C(C=C[C@H]1O)C(=O)[O-] CHORISMATE C[N+](C)(C)CCO CHOLINE 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 CHOLESTEROL C[C@H](CCC(=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 CHOLATE C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C CHOLANATE2 c1cc(c(cc1O)Cl)O CHLOROHYDROQUINONE C(C(=O)[O-])Cl CHLOROACETIC-ACID C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl CHLORDECONE c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)N(=O)=O CHLORAMPHENICOL C CH4 C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O CH33ADO C[C@@H](C=O)C(=O)[O-] CH3-MALONATE-S-ALD c1nc2c(=O)[nH]c(nc2n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])O)N CGMP 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]2O)O)O)CO)O)O)O)O CELLOBIOSE c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OCC[NH3+])O)O CDP-ETHANOLAMINE c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O CDP-D-GLUCOSE 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 CDP-CHOLINE c1cn(c(=O)nc1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])[O-])O)O CDP [Cd+2] CD+2 c1ccc(c(c1)O)O CATECHOL C[N+](C)(C)C[C@@H](CC(=O)[O-])O CARNITINE c1ccc(c(c1)C(=O)[O-])NCC(=O)[C@@H]([C@@H](COP(=O)([O-])[O-])O)O CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P C(C(=O)[O-])ON CARBOXYMETHOXYLAMINE C(=O)[O-] CARBOXYL-GROUP C1=C[C@H]([C@H](C(=C1)CCC(=O)[O-])O)O CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL *C(=O)* CARBONYL-GROUP [C-]#[O+] CARBON-MONOXIDE C(=O)=O CARBON-DIOXIDE C(C(C(=O)[O-])NC(=O)N)C(=O)[O-] CARBAMYUL-L-ASPARTATE C(=O)(N)OP(=O)([O-])[O-] CARBAMOYL-P C(=O)(N)[O-] CARBAMATE C(CONC(=[NH2+])N)C(C(=O)[O-])[NH3+] CANAVANINE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)[O-])O)N CAMP C(CC[NH3+])CC[NH3+] CADAVERINE [Ca+2] CA+2 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)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)CO)O)O)NC(=O)C)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C C6 C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@@H]([C@@H](O[C@@H]2C(=O)[O-])O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CO)NC(=O)C)O)O)O)NC(=O)C C55-PP-GLCNAC-MANNACA-FUC4NAC CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)([O-])OP(=O)([O-])O[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)C(=O)[O-])O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C C55-PP-GLCNAC-MANNACA C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C C5 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC/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)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)NC(=O)C C4 C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C C3 C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-])NC(=O)[C@@H](C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)NC(=O)C C1 CCCC(=O)OP(=O)([O-])[O-] BUTYRYL-P CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)[C@@](COP(=O)(OP(=O)(OC[C@@H]1O[C@@H](C(C1OP(=O)([O-])[O-])O)n2c3ncnc(c3nc2)N)[O-])[O-])(C)C BUTYRYL-COA CCCC(=O)[O-] BUTYRIC_ACID CCCCO BUTANOL C[C@H]([C@@H](C)O)O BUTANEDIOL CCCC=O BUTANAL [Br-] BR- CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])[O-])CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O BISOHMYR-GLUCOSAMINYL-1P CCCCCCCCCCC[C@H](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)OP(=O)([O-])[O-])NC(=O)C[C@@H](CCCCCCCCCCC)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O)CO)O)OC(=O)C[C@@H](CCCCCCCCCCC)O)O BISOHMYR-GLC c1cc(ccc1N(=O)=O)OP(=O)([O-])Oc2ccc(cc2)N(=O)=O BIS-P-NITROPHENOLPHOSPHATE c1ccc(cc1)c2cccc(c2O)O BIPHENYL-23-DIOL C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)[O-])NC(=O)N2 BIOTIN CC(C(C1=Nc2c(=O)[nH]c(nc2NC1)N)O)O BIOPTERIN c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OC(=O)CCCC[C@H]4C5C(CS4)NC(=O)N5)O)O)N BIO-5-AMP 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-] BILIVERDINE Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C)C=C)C)CCC(=O)[O-])CCC(=O)[O-] BILIRUBIN [BH4-].[Na+] BH4NA C[N+](C)(C)CC=O BETAINE_ALDEHYDE C[N+](C)(C)CC(=O)[O-] BETAINE c1ccc(cc1)CO BENZYL-ALCOHOL c1ccc(cc1)C(=O)[O-] BENZOATE c1ccccc1 BENZENE c1ccc(cc1)C=O BENZALDEHYDE COc1ncc(c(n1)N)CO BACIMETHRIN [Ba+2] BA+2 C(C[NH3+])C(=O)[O-] B-ALANINE 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 ATP CC[NH+](CC)CCCC(C)Nc1c2ccc(cc2[nH+]c3c1cc(cc3)OC)Cl ATABRINE C([C@@H](C(=O)[O-])[NH3+])C(=O)N ASN C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O ASCORBATE O[As](=O)([O-])[O-] ARSENATE C(C[C@@H](C(=O)[O-])[NH3+])CNC(=[NH2+])N ARG CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-] ARACHIDONIC_ACID C([C@H]([C@H]([C@@H](C=O)O)O)O)OP(=O)([O-])[O-] ARABINOSE-5P C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O ARABINOSE c1nc(c2c(n1)n(cn2)[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)([O-])OS(=O)(=O)[O-])O)O)N APS c1cc(ccc1/C=C/C(=O)c2c(cc(cc2O)O)O)O APIGENIN c1ccc(c(c1)C(=O)[O-])N ANTHRANILATE CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O ANDROSTERONE c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O)N AMP-GROUP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N AMP [NH4+] AMMONIUM N AMMONIA C([C@H]([C@@H]([C@H](CO)O)O)O)Nc1c(c(=O)[nH]c(=O)[nH]1)N AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE CC(=O)[C@@H](C(=O)[O-])N AMINO-OXOBUT C1C(=Nc2c(=O)[nH]c(nc2N1)N)CO AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE Cc1ncc(c(n1)N)COP(=O)([O-])OP(=O)([O-])[O-] AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP Cc1ncc(c(n1)N)COP(=O)([O-])[O-] AMINO-HYDROXYMETHYL-METHYL-PYR-P [C-3][NH3+] AMINO-GROUP CC(=O)C[NH3+] AMINO-ACETONE Cc1cc2c(cc1C)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O ALPHA-RIBAZOLE-5-P Cc1cc2c(cc1C)n(cn2)[C@@H]3C(C([C@H](O3)CO)O)O ALPHA-RIBAZOLE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O ALPHA-GLUCOSE C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O ALPHA-D-GALACTOSE C(CC=O)C[C@@H](C(=O)[O-])[NH3+] ALLYSINE C([C@@H]1[C@H]([C@H]([C@H](C(O1)O)O)O)O)O ALLOSE 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)O)O)O)O)O)O)O)O ALLOLACTOSE C1(C(=O)NC(=O)N1)NC(=O)N ALLANTOIN C(C(=O)[O-])(NC(=O)N)NC(=O)N ALLANTOATE c1nc(c(n1C2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N)C(=O)N AICAR C(CCNC(=[NH2+])N)C[NH3+] AGMATHINE c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N ADP-GROUP c1nc(c2c(n1)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)N ADP-D-GLUCOSE 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 ADP C(CCC(=O)[O-])CC(=O)[O-] ADIPATE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N[C@@H](CC(=O)[O-])C(=O)[O-] ADENYLOSUCC CC1=C2N3[Co+]45([N+]6=C(C(=C7[N+]4=C([C@H]([C@@]7(CC(=O)N)C)CCC(=O)N)C=C8[N+]5=C1[C@H]([C@]8(C)C)CCC(=O)N)C)[C@H]([C@@]([C@@]6([C@H]3[C@@H]([C@]2(CCC(=O)NC[C@H](OP(=O)([O-])[O-])C)C)CC(=O)N)C)(CC(=O)N)C)CCC(=O)N)CC9OC(C(C9O)O)n1c2ncnc(c2nc1)N ADENOSYLCOBINAMIDE-P CC1=C2[C@@]([C@@H](C3=[N+]2[Co+]45(N6[C@H]([C@@H]([C@@](C6=C(C7=[N+]4C(=C3)C([C@@H]7CCC(=O)N)(C)C)C)(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])OP(=O)([O-])OC[C@@H]8[C@H]([C@H]([C@@H](O8)n9cnc2c9nc([nH]c2=O)N)O)O)CC(=O)N)[C@@]2([N+]5=C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O)CCC(=O)N)(C)CC(=O)N ADENOSYLCOBINAMIDE-GDP CC1=C2N3[Co+]45([N+]6=C(C(=C7[N+]4=C([C@H]([C@@]7(CC(=O)N)C)CCC(=O)N)C=C8[N+]5=C1[C@H]([C@]8(C)C)CCC(=O)N)C)[C@H]([C@@]([C@@]6([C@H]3[C@@H]([C@]2(CCC(=O)NC[C@H](O)C)C)CC(=O)N)C)(CC(=O)N)C)CCC(=O)N)CC9OC(C(C9O)O)n1c2ncnc(c2nc1)N ADENOSYLCOBINAMIDE Cc1cc2c(cc1C)N3C=N2[Co+](N\4[C@@H]5[C@@H]([C@](/C4=C(/C6=N/C(=C\C7=N/C(=C(\C8=N[C@@]5([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)/C)/[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)/C([C@@H]6CCC(=O)N)(C)C)\C)(CCC(=O)NC[C@H](OP(=O)(O[C@@H]9[C@H](O[C@H]3[C@@H]9O)COP(=O)(O)O)[O-])C)C)CC(=O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O ADENOSYLCOBALAMIN-5-P Cc1cc2c(cc1C)N3C=N2[Co+](N\4[C@@H]5[C@@H]([C@@](/C4=C(/C6=N/C(=C\C7=N/C(=C(\C8=N[C@@]5([C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)/C)/[C@@]([C@@H]7CCC(=O)N)(C)CC(=O)N)/C([C@@H]6CCC(=O)N)(C)C)\C)(CCC(=O)NC[C@@H](OP(=O)(O[C@@H]9[C@H](O[C@H]3[C@@H]9O)CO)[O-])C)C)CC(=O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O ADENOSYLCOBALAMIN c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N ADENOSYL-P4 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCC(C(=O)[O-])[NH3+])O)O)N ADENOSYL-HOMO-CYS c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H](C(O4)O)O)O)O)O)N ADENOSINE_DIPHOSPHATE_RIBOSE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N ADENOSINE5TRIPHOSPHO5ADENOSINE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N ADENOSINE c1[nH]c2c(ncnc2n1)N ADENINE-RING c1[nH]c2c(ncnc2n1)N ADENINE CC(=O)OCC(C(=O)[O-])[NH3+] ACETYLSERINE CC(=O)O[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)O)O)O ACETYLMALTOSE CC(=O)OCC[N+](C)(C)C ACETYLCHOLINE CC(=O)OP(=O)([O-])[O-] ACETYL-P CC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ACETYL-GLU CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O ACETYL-COA CC(=O)C ACETONE CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O ACETOACETYL-COA CC(=O)N ACETAMIDE CC=O ACETALD CC(=O)[O-] ACET C(CCCC(=O)[O-])CCCS 8-THIO-OCTANOATE C(CCCC(=O)[O-])CCC[Se] 8-SELENO-OCTANOATE C1C(C(OC1n2c3c(c(=O)[nH]c(n3)N)nc2O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O 8-HYDROXYDEOXYGUANOSINE-5-TRIPHOSPHAT CC(C(=O)CCCCCC(=O)[O-])[NH3+] 8-AMINO-7-OXONONANOATE c1c(c2c([nH]1)nc([nH]c2=O)N)C[NH3+] 7-AMINOMETHYL-7-DEAZAGUANINE CCCCC/C=C\CC(/C=C/C=C/C=C\C(CCCC(=O)[O-])O)O 6Z8E10E14Z-5S12R-512-DIHYDROXYI CP(=O)([O-])O[C@H]1C=C([C@@H]([C@H]([C@@H]1O)OC(=O)C(=C)[O-])F)C(=O)[O-] 6S-6-FLUORO-EPSP CP(=O)([O-])O[C@H]1C=C([C@H]([C@H]([C@@H]1O)OC(=O)C(=C)[O-])F)C(=O)[O-] 6R-6-FLUORO-EPSP c1c2=NCCN=c2ncn1 67-DIHYDROPTERIDINE CCC(CCCCC(=O)[O-])S 6-THIO-OCTANOATE CCC(CCCCC(=O)[O-])[Se] 6-SELENO-OCTANOATE CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)[NH3+])C(=O)[O-])C 6-AMINOPENICILLANATE CCCCC[C@H](/C=C/[C@@H]1[C@H]([C@H](CC1=O)O)C/C=C/CCCC(=O)[O-])O 5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)[O-])O)O)O 5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C/C(=C\CCCC(=O)[O-])/O2)O)O 5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA c1c2c(ncn1)NCCN2 5678-TETRAHYDROPTERIDINE C(C1C(C(C(O1)NC(=[NH2+])CNC=O)O)O)OP(=O)([O-])[O-] 5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE c1c(n(c[nH+]1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)N 5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE C(C1C(C(C(O1)NC(=O)C[NH3+])O)O)OP(=O)([O-])[O-] 5-PHOSPHO-RIBOSYL-GLYCINEAMIDE C(C1C(C(C(O1)NC(=O)CNC=O)O)O)OP(=O)([O-])[O-] 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE c1cc(ccc1[N+](=O)[O-])SC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O 5-P-NITROPHENYLTHIOADENOSINE CCCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5-N-PROPYLTHIOADENOSINE CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc3c2ncnc3N)O)O 5-METHYLTHIOTUBERCIDIN CSC[C@@H]1[C@H]([C@H]([C@@H](O1)c2c3c(c(ncn3)N)[nH]n2)O)O 5-METHYLTHIOFORMYCIN CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5-METHYLTHIOADENOSINE C[NH2+]Cc1cn(c(=S)[nH]c1=O)C2C(C(C(O2)CO)O)O 5-METHYLAMINOMETHYL-2-THIOURIDINE C[NH2+]Cc1cn(c(=[Se])[n-]c1=O)C2C(C(C(O2)CO)O)O 5-METHYLAMINOMETHYL-2-SELENOURIDINE CN1c2c([nH]c(nc2=O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] 5-METHYL-THF C([C@@H]([C@H](C(=O)[O-])O)O)C(=O)C(=O)[O-] 5-KETO-4-DEOXY-D-GLUCARATE c1cc2c(cc1O)c(c[nH]2)CC(C(=O)[O-])[NH3+] 5-HYDROXY-TRYPTOPHAN c1c(c(nc(=O)n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N)O 5-HYDROXY-CTP c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])NC[C@H]2CNc3c(c(=O)nc([nH]3)N)N2C=O 5-FORMYL-THF CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O 5-ETHYLTHIOADENOSINE C([C@@H]1[C@H]([C@H]([C@@H](O1)c2c3c(c(nc(n3)Cl)N)[nH]n2)O)O)O 5-CHLOROFORMYCIN c1c[n@@](c(=O)[nH]c1=O)C2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])O[C@@H]3[C@@H]([C@H](C(=O)CO3)O)O)O)O 5-BETA-L-THREO-PENTAPYRANOSYL-4-ULOSE- C(CC[NH3+])CC(=O)[O-] 5-AMINOPENTANOATE C(CC(=O)[O-])C(=O)C[NH3+] 5-AMINO-LEVULINATE c1cc(ccc1C(=O)[O-])O 4-hydroxybenzoate CC(C)(COP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)[O-])O 4-P-PANTOTHENATE C(C(=O)C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O 4-OH-4-ACETYL-2-OXOGLUTARATE CC(C)CCC=O 4-METHYLPENTANAL C(C(=O)CC(=O)[O-])C(=O)/C=C\C(=O)[O-] 4-MALEYL-ACETOACETATE c1[nH][c-](c(=O)n1)CCC(=O)[O-] 4-IMIDAZOLONE-5-PROPIONATE c1cc(ccc1CC(=O)[O-])O 4-HYDROXYPHENYLACETATE c1cc(ccc1C=O)O 4-HYDROXYBENZALDEHYDE c1cc(ccc1CO)O 4-HYDROXY-BENZYL-ALCOHOL C[C@@H](CC(=O)C(=O)[O-])O 4-HYDROXY-2-KETOVALERATE C(C(=O)CC(=O)[O-])C(=O)/C=C/C(=O)[O-] 4-FUMARYL-ACETOACETATE C\1=CC(=O)O/C1=C/C(=O)[O-] 4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE C(CC(=O)[O-])C[NH3+] 4-AMINO-BUTYRATE C(CC=O)C[NH3+] 4-AMINO-BUTYRALDEHYDE C=C(C(=O)[O-])O[C@@H]1C=C(C=CC1[NH3+])C(=O)[O-] 4-AMINO-4-DEOXYCHORISMATE C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)[NH3+] 4-AMINO-4-DEOXY-L-ARABINOSE C(C(C(=O)C(=O)[O-])O)OP(=O)([O-])[O-] 3OH-4P-OH-ALPHA-KETOBUTYRATE C(CNC(=O)N)C(=O)[O-] 3-UREIDO-PROPIONATE C([C@@H](C(=O)[O-])[NH3+])S(=O)[O-] 3-SULFINOALANINE c1ccc(cc1)CCC(=O)[O-] 3-PHENYLPROPIONATE C([C@@H](C(=O)[O-])[NH3+])OP(=O)([O-])[O-] 3-P-SERINE C(C(=O)C(=O)[O-])OP(=O)([O-])[O-] 3-P-HYDROXYPYRUVATE C1C=C(OC1=O)CC(=O)[O-] 3-OXOADIPATE-ENOL-LACTONE CC(CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C4CCC5C4(C(CC6C5C(CC7C6(CCC(=O)C7)C)O)O)C 3-OXO-CHOLYL-COA c1cc(cc(c1)O)CO 3-OH-BENZYL-ALCOHOL c1cc(cc(c1)O)C=O 3-OH-BENZALDEHYDE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cc(ccc1O)C(=O)[O-])/C)/C)/C)/C)/C)/C)/C)C 3-OCTAPRENYL-4-HYDROXYBENZOATE CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)C 3-METHYL-CROTONYL-COA C(C(=O)C(=O)[O-])S 3-MERCAPTO-PYRUVATE C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O[C@H]2[C@@H](C(=O)[C@H]([C@H](O2)CO)O)O)O 3-KETOLACTOSE CC(=O)CC(=O)[O-] 3-KETOBUTYRATE C([C@@H]([C@H](C(=O)[C@@H](C(=O)[O-])O)O)O)O 3-KETO-L-GULONATE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)[O-])O 3-KETO-ADIPYL-COA C(CC(=O)[O-])C(=O)CC(=O)[O-] 3-KETO-ADIPATE c1cc(cc(c1)O)CCC(=O)[O-] 3-HYDROXYPHENYL-PROPIONATE CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(CCC(=O)[O-])O)O 3-HYDROXYADIPYL-COA c1cc(c(c(c1)O)N)C(=O)CC(C(=O)[O-])[NH3+] 3-HYDROXY-L-KYNURENINE c1cc(c(c(c1)O)N)C(=O)[O-] 3-HYDROXY-ANTHRANILATE C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O 3-HYDROXY-3-METHYL-GLUTARYL-COA C(C(=O)C(=O)[O-])P(=O)[O-] 3-HYDROHYDROXYPHOSPHORYLPYRUVATE C=C(C(=O)[O-])O[C@@H]1CC(=C[C@H]([C@H]1O)OP(=O)([O-])[O-])C(=O)[O-] 3-ENOLPYRUVYL-SHIKIMATE-5P C([C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)C(=O)C(=O)[O-] 3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P C1[C@H]([C@@H](C(=O)C=C1C(=O)[O-])O)O 3-DEHYDRO-SHIKIMATE c1cc(cnc1)C#N 3-CYANOPYRIDINE C([C@@H](C(=O)O)N)Cl 3-CHLORO-D-ALANINE CC(C)C(CC(=O)[O-])(C(=O)[O-])O 3-CARBOXY-3-HYDROXY-ISOCAPROATE C(C(=O)C(=O)[O-])Br 3-BROMOPYRUVATE C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O)C 3-BETA-HYDROXYANDROST-5-EN-17-ONE c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-])O)N 3-5-ADP C(CC(=O)C(=O)[O-])CC(=O)[O-] 2K-ADIPATE CC(C)CC(=O)C(=O)[O-] 2K-4CH3-PENTANOATE CC(=O)/C=C\C=C(/C(=O)[O-])\O 2H6OH2-4DIENOATE C[C@@]1([C@@H](COP(=O)(OP(=O)(O1)[O-])[O-])O)CO 2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE c1cc(c(cc1Cl)[O-])Cl 25-DICHLOROPHENOL c1c(c(cc(c1Cl)O)Cl)O 25-DICHLOROHYDROQUINONE C1=C(C(C=C(C1O)Cl)O)Cl 25-DDOL C[C@H](C[C@@H](C(=O)[O-])[NH3+])[NH3+] 24DINH2-PENTANOATE C1=C(C(C=C(C1O)Cl)Cl)Cl 245-DNOL c1cn(c(=S)[nH]c1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O 2-THIOURIDINE C([C@H](C(=O)[O-])OP(=O)([O-])[O-])O 2-PG CCC(=O)C(=O)[O-] 2-OXOBUTANOATE CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1ccccc1O)/C)/C)/C)/C)/C)/C)/C)C 2-OCTAPRENYLPHENOL CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)OC)/C)/C)/C)/C)/C)/C)/C)C 2-OCTAPRENYL-6-METHOXYPHENOL CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/Cc1cccc(c1O)O)/C)/C)/C)/C)/C)/C)/C)C 2-OCTAPRENYL-6-HYDROXYPHENOL C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(CO)C(=O)[O-])O)O)O)O 2-O-ALPHA-MANNOSYL-D-GLYCERATE CCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 2-METHYL-BUTYRYL-COA CC(C(=O)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 2-METHYL-ACETO-ACETYL-COA CC(C(C)O)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O 2-METHYL-3-HYDROXY-BUTYRYL-COA C(CC(=O)[O-])C(=O)C(=O)[O-] 2-KETOGLUTARATE CC(C)C(=O)C(=O)[O-] 2-KETO-ISOVALERATE C(CC(=O)N)C(=O)C(=O)[O-] 2-KETO-GLUTARAMATE CC[C@H](C)C(=O)C(=O)[O-] 2-KETO-3-METHYL-VALERATE C([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)C(=O)C(=O)[O-] 2-KETO-3-DEOXY-6-P-GLUCONATE c1nc2c(nc(nc2n1C3CC(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)O)N 2-HYDROXYDEOXYADENOSINE-5-TRIPHOSPHATE CSCCC(=O)/C(=C/OP(=O)([O-])[O-])/[O-] 2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP C1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O 2-DEOXY-D-GLUCOSE CC1(COC(=O)C1=O)C 2-DEHYDROPANTOYL-LACTONE CC(C)(CO)C(=O)C(=O)[O-] 2-DEHYDROPANTOATE C([C@@H]([C@@H](CO)O)O)C(=O)C(=O)[O-] 2-DEHYDRO-3-DEOXY-D-GLUCONATE C([C@H]([C@@H](CO)O)O)C(=O)C(=O)[O-] 2-DEHYDRO-3-DEOXY-D-GALACTONATE CC(C)[C@@H]([C@H](C(=O)[O-])O)C(=O)[O-] 2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE C1=C[C@@](OC1=O)(CC(=O)[O-])Cl 2-CL-5-OXO-2-5-DIH-FURAN-2-ACETATE C(CCl)O 2-CHLOROETHANOL CC(CO)(C(COP(=O)([O-])[O-])O)O 2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE C(=C\C=O)\C=C(/C(=O)[O-])\N 2-AMINOMUCONATE_SEMIALDEHYDE C(=O)[C@@H](C(=O)[O-])N 2-AMINOMALONATE-SEMIALDEHYDE C(=C\C(=O)[O-])\C=C(/C(=O)[O-])\N 2-AMINO-MUCONATE CC(=O)[C@@](C)(C(=O)[O-])O 2-ACETO-LACTATE CCC(C(=O)C)(C(=O)[O-])O 2-ACETO-2-HYDROXY-BUTYRATE CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3C2N=C[NH+]=C3N)O[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])[O-])O)O)C(C(=O)NCCC(=O)NCCS)O 2-5-PHOSPHORIBOSYL-3-DEPHOSPHO-COA c1cc(c(c(c1)O)O)CCC(=O)[O-] 2-3-DIHYDROXYPHENYL-PROPIONATE c1cc(c(c(c1)O)O)C(=O)[O-] 2-3-DIHYDROXYBENZOATE CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C 17-BETA-HYDROXYANDROSTAN-3-ONE c1cc(c(cc1Cl)Cl)Cl 124-TCB C(CCl)Cl 12-DICHLOROETHANE c1cc(ccc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])N(C[C@H]2CNc3c(c(=O)nc([nH]3)N)N2)C=O 10-FORMYL-THF [C@H]1([C@H]([C@@H]([C@H]([C@H]([C@H]1O)O)OP(=O)([O-])[O-])O)O)O 1-L-MYO-INOSITOL-1-P CCC(C)(C(C(=O)[O-])O)O 1-KETO-2-METHYLVALERATE CCn1cnc2c1ncnc2N 1-ETHYLADENINE c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])Cl 1-CHLORO-24-DINITROBENZENE C(C(=O)COP(=O)([O-])[O-])[NH3+] 1-AMINO-PROPAN-2-ONE-3-PHOSPHATE CC(C[NH3+])O 1-AMINO-PROPAN-2-OL