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125 SMILES Strings for Phospholipase A2, major isoenzyme

Compound NameSMILES String
BDBM17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM18207 [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
BDBM23750 CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
BDBM23752 CCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
BDBM23753 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1
BDBM23754 CCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM23755 CCCCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM23756 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM23757 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
BDBM23758 CCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
BDBM23759 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)-c1nc(=O)o[nH]1
BDBM23760 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23761 CCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23762 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23763 CCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23764 CCCCCCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23765 CCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23766 CCCCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23767 CCCCCCCCCCCCCCCCCCN1CCN(CC1)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23768 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(CCc2nc(=O)o[nH]2)cc1
BDBM23769 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)c1ccc(CCCc2nc(=O)o[nH]2)cc1
BDBM23770 CCCCCCCCCCCCCCOc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM23771 CCc1c(CC(N)=O)c2cc(OCCCP(O)(O)=O)ccc2n1Cc1ccccc1
BDBM31768 CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
BDBM50004493 CCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OCC[N+](C)(C)C
BDBM50004494 CC(C)C[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)Cc1ccc2ccccc2c1
BDBM50004495 CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCCO)NC(=O)CCCCCCCCCCCCC
BDBM50004496 CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)CC(C)C
BDBM50004497 CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC
BDBM50004498 C[N+](C)(C)CCOP([O-])(=O)OCCNC(=O)c1ccc2ccccc2c1
BDBM50004499 CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C
BDBM50004500 CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(O)=O)Cc1ccccc1
BDBM50004501 CCCCC\C=C/CCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C
BDBM50004502 CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCO)CC(C)C
BDBM50004503 C[N+](C)(C)CCOP([O-])(=O)OCCNC(=O)Cc1ccc2ccccc2c1
BDBM50004504 CCCCCCCCCCCCCCCC(=O)N[C@H](C)COP([O-])(=O)OCC[N+](C)(C)C
BDBM50004505 CCCCCCCCCCCCCCCC(=O)N[C@H](COP([O-])(=O)OCC[N+](C)(C)C)CC(C)C
BDBM50004676 OC(Cn1ccnc1)(c1ccc(F)cc1)c1ccc(cc1)-c1ccncc1
BDBM50004677 COc1c(OC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O
BDBM50004678 Cc1ccc(cc1)C(O)(Cn1ccnc1)c1ccc(cc1)-c1ccncc1
BDBM50004679 Oc1c(Cc2ccccc2)ccc2ccccc12
BDBM50015214 CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
BDBM50031087 CS(=O)(=O)c1ccc(cc1)-c1[nH]c(SC#N)cc1-c1ccc(F)cc1
BDBM50055287 Cc1c(CC(N)=O)c2c(OCCCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055366 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055367 CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(Cl)c1
BDBM50055371 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1-c1ccccc1
BDBM50055383 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
BDBM50055384 Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1cccc(c1)-c1ccccc1
BDBM50119793 C(CCCCCC[n+]1ccccc1)CCCCC[n+]1ccccc1
BDBM50139529 CCCCCCCCNC(=O)Oc1ccccc1OC(=O)NCCCCCCCC
BDBM50139530 CCCCCCCCNC(=O)Oc1ccc(OC(=O)NCCCCCCCC)cc1
BDBM50139531 CCCCCCCCNC(=O)Oc1cccc(OC(=O)NCCCCCCCC)c1
BDBM50206918 CCCCCCCCCCCCCCOC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206919 CCCCCCCCCCCCCCOC(CO)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206920 CCCCCCCCCCCCCCOC(COc1ccc(cc1)-c1nc(=O)o[nH]1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
BDBM50206921 CCCCCCCCCCCCCCOC(COc1ccc(cc1)-c1nc(=O)o[nH]1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206922 CCCCCCCOCC(COc1ccc(cc1)-c1nc(=O)o[nH]1)OCCCCCCC
BDBM50206923 CCCCCCCCCCCCCCOCC(COc1ccc(cc1)-c1nc(=O)o[nH]1)Oc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206924 CCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)OCCCCCCC
BDBM50206904 CCCCCCCCCCCCCCOC(COCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206905 CCCCCCCCCCCCCCO[C@@H](COc1ccc(cc1)-c1nc(=O)o[nH]1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
BDBM50206906 CCCCCCCCCCCCCCOC(COCCCCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206907 O=c1nc([nH]o1)-c1ccc(OCC(COCCCCc2ccccc2)OCCCCc2ccccc2)cc1
BDBM50206908 CCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206909 CCCCCOC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206910 CCCCCCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206911 CCCCCCCCCCCCCCOC(COCCCCCCCCCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206912 CCCCCCCCCCCCCCOC(COCCCCc1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206913 CCCCCCCCCCCCCCOC(COC(c1ccccc1)c1ccccc1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206914 CCCCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)OCCCCCCCCC
BDBM50206915 CCCCCCCCCCCCCCOC(COCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50206916 CCCCCCCCCCCCCCOCC(COc1ccc(Cc2nc(=O)o[nH]2)cc1)Oc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50206917 CCCCCCCCCCCCCCOC(COCc1cccc(OC)c1)COc1ccc(cc1)-c1nc(=O)o[nH]1
BDBM50269843 COC1=CC(=O)C(=O)C(C[C@@]2(C)CC[C@@]3(C)[C@@H](CCC=C3C)[C@H]2C)C1=O |r,c:19,t:2|
BDBM50280984 CC(C)c1ccc2c(CC[C@H]3C(C)(CN)CCC[C@]23C)c1 |r|
BDBM50280985 CC(C)c1ccc2c(CCC3[C@](C)(CNCc4ccccc4C(O)=O)CCC[C@]23C)c1 |r|
BDBM50280986 CC(C)c1ccc2c(CCC3[C@](C)(CN(CCC(NC(C)=O)c4ccc(F)cc4)C(C)=O)CCC[C@]23C)c1
BDBM50280987 CC(N)CCCNC[C@]1(C)CCC[C@@]2(C)C1CCc1cc(ccc21)C(C)C |r|
BDBM50280988 CC(C)c1ccc2c(CCC3[C@](C)(CNCC4CCCN4)CCC[C@]23C)c1 |r|
BDBM50304125 Cc1cc[n+](CCCCCCCCCCCC[n+]2ccc(C)cc2)cc1
BDBM50304126 CCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CC)cc2)cc1
BDBM50304127 CC(C)(C)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(cc2)C(C)(C)C)cc1
BDBM50304128 CCCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCCC)cc2)cc1
BDBM50304129 C=CCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCC=C)cc2)cc1
BDBM50304130 CC(C)CCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCC(C)C)cc2)cc1
BDBM50304131 CCCCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCCCC)cc2)cc1
BDBM50304132 CC(C)CCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCC(C)C)cc2)cc1
BDBM50304133 C(CCCCCC[n+]1ccc(CCCc2ccccc2)cc1)CCCCC[n+]1ccc(CCCc2ccccc2)cc1
BDBM50304134 OCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCO)cc2)cc1
BDBM50304135 CCCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCCC)c(C)c2)cc1C
BDBM50304136 CCCCCc1cc[n+](CCCCCCCCCCCC[n+]2ccc(CCCCC)c(CCCCC)c2)cc1CCCCC
BDBM50304137 CCCCC(CCCC)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(cc2)C(CCCC)CCCC)cc1
BDBM50316457 CCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM50316458 CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316459 CCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316460 CCCCCCCCCCOc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316461 CCCCCCCCCCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316462 CCCCCCCCCCCCCCN1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316463 CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316464 CCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)Nc1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316465 CCCCCCCCCCCCCCCCCCN1CCN(C(C)C1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316466 CCCCCCCCCCCCCCCCCCN1CC(C)N(CC1C)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316467 CCCCCCCCCCCCCCN1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1=O
BDBM50316468 CCCCCCCCCCCCCCCCCCN1CCN(CC1=O)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316469 CCCCCCCCCCCCCCN1CCN(CC1=O)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316443 CCCCCCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316444 CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316445 CCCCCCCCCCCCCCCCCC(=O)N1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316446 CCCCCCCCCCCCCC(=O)N1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1
BDBM50316447 CCCCCCCCCCCCCCCCCCN1CC(=O)N(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1=O
BDBM50316448 CCCCCCCCCCCCCCN1CC(=O)N(Cc2ccc(cc2)-c2nc(=O)o[nH]2)CC1=O
BDBM50316449 CCCCCCCCCCCCCCN1CCN(Cc2ccc(cc2)-c2nc(=O)o[nH]2)C(=O)C1=O
BDBM50316450 CCCCCCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316451 CCCCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316452 CCCCCCCCCCCCCCCCCCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316453 CCCCCCCCCCCCCCOC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316454 CCCCCCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316455 CCCCCCCCCCCCCCNC(=O)N1CCN(CC1)C(=O)c1ccc(Cc2nc(=O)o[nH]2)cc1
BDBM50316456 CCCCCCCCCCCCCCCCCCOc1ccc(cc1)N1CCN(Cc2ccc(Cc3nc(=O)o[nH]3)cc2)CC1
BDBM50591711 O=c1[nH]c2ccccc2nc1N\N=C\c1cccs1
BDBM50591712 COc1cccc(\C=N\Nc2nc3ccccc3[nH]c2=O)c1
BDBM50591713 [O-][N+](=O)c1ccc(-c2ccc3n2c2ccccc2[nH]c3=O)c(c1)[N+]([O-])=O
BDBM50591714 Oc1ccc(-c2ccc3n2c2ccccc2[nH]c3=O)c(O)c1
BDBM50591715 Clc1ccc(cc1Cl)-c1ccc2n1c1ccccc1[nH]c2=O