smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C2=CC(=C3SC(=S)NC3=O)c3ccccc3O2)cc1OC ZINC000002340831 855251186 /nfs/dbraw/zinc/25/11/86/855251186.db2.gz RMSMMRWANZZFPW-AQTBWJFISA-N -1 0 397.477 3.996 50 10 GHCARM O=c1oc2c(ccc([O-])c2CN2CCOCC2)cc1-c1nc2ccccc2s1 ZINC000019789421 860367200 /nfs/dbraw/zinc/36/72/00/860367200.db2.gz WWGFPAXYGPAIKE-UHFFFAOYSA-N -1 0 394.452 3.608 50 10 biogenic GHCARM Cc1cccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1C ZINC000004660852 204061019 /nfs/dbraw/zinc/06/10/19/204061019.db2.gz CGZNVBGGHFDXFV-UHFFFAOYSA-N -1 0 391.448 3.880 50 10 GHCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O ZINC000004982679 204099370 /nfs/dbraw/zinc/09/93/70/204099370.db2.gz SVYUZGYWSVPZNO-BOPFTXTBSA-N -1 0 380.404 3.939 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(F)c(Oc3ccccc3)c2)SC1=S ZINC000009310623 204307547 /nfs/dbraw/zinc/30/75/47/204307547.db2.gz STARRZHAQIKULS-OQLLNIDSSA-N -1 0 389.429 3.904 50 10 GHCARM COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)cc1 ZINC000012296397 204389475 /nfs/dbraw/zinc/38/94/75/204389475.db2.gz QNGRYTQBOXEJHD-KRWDZBQOSA-N -1 0 390.439 3.743 50 10 biogenic GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000002915399 136196522 /nfs/dbraw/zinc/19/65/22/136196522.db2.gz HTXKOWACANYTOR-NTUHNPAUSA-N -1 0 393.251 3.530 50 10 GHCARM CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000012413849 136200189 /nfs/dbraw/zinc/20/01/89/136200189.db2.gz TYRNLDGETXLMHF-XDHOZWIPSA-N -1 0 387.439 3.944 50 10 GHCARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000226090002 527612486 /nfs/dbraw/zinc/61/24/86/527612486.db2.gz LOWRMFOZCMJCQZ-JZKQVHKSSA-N -1 0 382.847 3.981 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 ZINC000001774376 570423133 /nfs/dbraw/zinc/42/31/33/570423133.db2.gz YGOHAESPIBTEAU-ZROIWOOFSA-N -1 0 386.410 3.699 50 10 GHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001281967 570565833 /nfs/dbraw/zinc/56/58/33/570565833.db2.gz XPMUWHVBFWYFSV-MFVBVHDHSA-N -1 0 399.493 3.940 50 10 GHCARM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1 ZINC000001072029 570748973 /nfs/dbraw/zinc/74/89/73/570748973.db2.gz DRGGVPQBXLTNCR-UHFFFAOYSA-N -1 0 382.368 3.789 50 10 GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccs1 ZINC000001105346 570755043 /nfs/dbraw/zinc/75/50/43/570755043.db2.gz ILEJGRWUYXCAPU-VQHVLOKHSA-N -1 0 383.281 3.886 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1OC ZINC000009012298 856701803 /nfs/dbraw/zinc/70/18/03/856701803.db2.gz CGRVRFJWRGJDOF-PTNGSMBKSA-N -1 0 396.399 3.528 50 10 GHCARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)[N-]C2=S)cc1 ZINC000004723881 204069887 /nfs/dbraw/zinc/06/98/87/204069887.db2.gz JOOVAYYQSGPSJF-UKTHLTGXSA-N -1 0 392.889 3.632 50 10 GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)c1 ZINC000004746623 204073655 /nfs/dbraw/zinc/07/36/55/204073655.db2.gz GAGKMKXHFZVMHV-CXUHLZMHSA-N -1 0 399.449 3.562 50 10 GHCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000005727302 204149246 /nfs/dbraw/zinc/14/92/46/204149246.db2.gz YWSCJWUUMPSIIH-VXGBXAGGSA-N -1 0 379.478 3.632 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000005650165 204144013 /nfs/dbraw/zinc/14/40/13/204144013.db2.gz ZKWUADZMZJNPSZ-FMIVXFBMSA-N -1 0 376.199 3.572 50 10 GHCARM COc1ccc(C(=O)[O-])cc1NC1(c2ccccc2)C(=O)c2ccccc2C1=O ZINC000006901859 204222922 /nfs/dbraw/zinc/22/29/22/204222922.db2.gz LDCPJTULYVPPRH-UHFFFAOYSA-N -1 0 387.391 3.780 50 10 GHCARM O=C([O-])c1ccc(NC=C2SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000009422153 204310971 /nfs/dbraw/zinc/31/09/71/204310971.db2.gz HYORKLALNQEAEK-FOWTUZBSSA-N -1 0 384.482 3.741 50 10 GHCARM Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3CN3CCOCC3)c2=O)c1 ZINC000019791713 204684935 /nfs/dbraw/zinc/68/49/35/204684935.db2.gz QIPFWXQPWWTYGG-UHFFFAOYSA-N -1 0 381.428 3.740 50 10 biogenic GHCARM O=C([O-])CCCN1C(=O)/C(=C\c2cc(Br)cs2)SC1=S ZINC000021271751 205930870 /nfs/dbraw/zinc/93/08/70/205930870.db2.gz ZQBJNZJSNKIQGM-WEVVVXLNSA-N -1 0 392.321 3.577 50 10 GHCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000000723635 525433717 /nfs/dbraw/zinc/43/37/17/525433717.db2.gz OPOYKSDYXQJOIA-GZTJUZNOSA-N -1 0 375.453 3.616 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)s1 ZINC000000636306 570212440 /nfs/dbraw/zinc/21/24/40/570212440.db2.gz VGISSPXECNEJOX-YRNVUSSQSA-N -1 0 383.281 3.886 50 10 GHCARM CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000000966866 570232288 /nfs/dbraw/zinc/23/22/88/570232288.db2.gz IJBPVOAGCXNHQE-YBEGLDIGSA-N -1 0 384.482 3.857 50 10 GHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000000708688 570297956 /nfs/dbraw/zinc/29/79/56/570297956.db2.gz LBUSALIXDQYYMD-XSFVSMFZSA-N -1 0 388.398 3.866 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S ZINC000000967016 570535219 /nfs/dbraw/zinc/53/52/19/570535219.db2.gz XRUZQMALKZLVGA-SFQUDFHCSA-N -1 0 399.493 3.942 50 10 GHCARM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000012414028 570656939 /nfs/dbraw/zinc/65/69/39/570656939.db2.gz DKSVZDXHTUQSSD-ZROIWOOFSA-N -1 0 376.243 3.521 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1C ZINC000001176817 570790380 /nfs/dbraw/zinc/79/03/80/570790380.db2.gz LZQFSDUPASUUOZ-QGOAFFKASA-N -1 0 393.443 3.553 50 10 GHCARM CCOc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000001188921 570792122 /nfs/dbraw/zinc/79/21/22/570792122.db2.gz PLEQYPZJKNFKOE-KPKJPENVSA-N -1 0 393.226 3.559 50 10 GHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000014011199 570814375 /nfs/dbraw/zinc/81/43/75/570814375.db2.gz IOCDFCKTUPJQFP-XMHGGMMESA-N -1 0 377.444 3.508 50 10 GHCARM CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1 ZINC000031849056 862716258 /nfs/dbraw/zinc/71/62/58/862716258.db2.gz FETUUSLUZVLSPQ-PNZWKLPWSA-N -1 0 394.412 3.674 50 10 GHCARM CCOc1ccc(Br)cc1C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000004843079 204081799 /nfs/dbraw/zinc/08/17/99/204081799.db2.gz QVGOJGMHRDDVBL-UHFFFAOYSA-N -1 0 380.194 3.504 50 10 GHCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000005671868 204146141 /nfs/dbraw/zinc/14/61/41/204146141.db2.gz RWXCOFRIOVUJLK-ZROIWOOFSA-N -1 0 377.625 3.564 50 10 GHCARM O=C([O-])CCCCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S ZINC000007166310 204234604 /nfs/dbraw/zinc/23/46/04/204234604.db2.gz YYSJOVLIILHPHL-FMIVXFBMSA-N -1 0 387.429 3.744 50 10 GHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1 ZINC000008994663 136195931 /nfs/dbraw/zinc/19/59/31/136195931.db2.gz WXKKRFFTBPALMC-BOPFTXTBSA-N -1 0 375.384 3.694 50 10 GHCARM CCN1c2ccccc2S/C1=C\C=C1\C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000100856086 136196018 /nfs/dbraw/zinc/19/60/18/136196018.db2.gz OVVBVPYYWHASTA-MIXLFBTASA-N -1 0 391.452 3.669 50 10 GHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)cc2Cl)C1=O ZINC000000755196 524535067 /nfs/dbraw/zinc/53/50/67/524535067.db2.gz WCILWGNXVSBSEY-XYOKQWHBSA-N -1 0 391.210 3.668 50 10 GHCARM COC(=O)c1ccc(N=C(C)c2c(C)[n-]n(-c3ccc(OC)cc3)c2=O)cc1 ZINC000100136012 570305444 /nfs/dbraw/zinc/30/54/44/570305444.db2.gz CQBBINNXBUWCBQ-UYRXBGFRSA-N -1 0 379.416 3.590 50 10 GHCARM COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000005798243 570500289 /nfs/dbraw/zinc/50/02/89/570500289.db2.gz AXCHZRHSKGTLIT-WWMYMODYSA-N -1 0 379.412 3.763 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000015659261 570901063 /nfs/dbraw/zinc/90/10/63/570901063.db2.gz DUKFVQOOMKTADZ-ZGCWVLQWSA-N -1 0 377.356 3.966 50 10 GHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC ZINC000017015547 570936994 /nfs/dbraw/zinc/93/69/94/570936994.db2.gz RSUKLBPOHBYYOR-NTEUORMPSA-N -1 0 396.399 3.528 50 10 GHCARM CC(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000016213155 845295359 /nfs/dbraw/zinc/29/53/59/845295359.db2.gz DEIODCKMINVTTP-UYRXBGFRSA-N -1 0 380.419 3.654 50 10 GHCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000015658693 919381377 /nfs/dbraw/zinc/38/13/77/919381377.db2.gz HPGOEMPZEYJQGE-DHDCSXOGSA-N -1 0 385.763 3.753 50 10 GHCARM O=C([O-])COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 ZINC000004700609 204065695 /nfs/dbraw/zinc/06/56/95/204065695.db2.gz RCEMAGHDWMKMRP-DHDCSXOGSA-N -1 0 389.429 3.695 50 10 GHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c2ccccc21 ZINC000005031604 204104242 /nfs/dbraw/zinc/10/42/42/204104242.db2.gz NLCOXTHZTZQHRI-LDADJPATSA-N -1 0 389.411 3.541 50 10 GHCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000005727300 204149256 /nfs/dbraw/zinc/14/92/56/204149256.db2.gz YWSCJWUUMPSIIH-NEPJUHHUSA-N -1 0 379.478 3.632 50 10 GHCARM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000001213151 136196125 /nfs/dbraw/zinc/19/61/25/136196125.db2.gz SRQIODOTYGGWNA-MHWRWJLKSA-N -1 0 384.819 3.632 50 10 GHCARM Cc1cc(C)cc(Oc2coc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)c1 ZINC000019791715 570219449 /nfs/dbraw/zinc/21/94/49/570219449.db2.gz TUFJGBKTMOWPPD-UHFFFAOYSA-N -1 0 394.471 3.655 50 10 biogenic GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 ZINC000000974440 570232593 /nfs/dbraw/zinc/23/25/93/570232593.db2.gz VYLVQHCHCKOKFL-CHHVJCJISA-N -1 0 385.422 3.519 50 10 GHCARM COc1ccc([C@@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1 ZINC000012381915 570321866 /nfs/dbraw/zinc/32/18/66/570321866.db2.gz RUEYMBHMDRYCAS-GOSISDBHSA-N -1 0 395.415 3.719 50 10 GHCARM COc1cccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)c1 ZINC000026771429 570428601 /nfs/dbraw/zinc/42/86/01/570428601.db2.gz FRGLILMWKNDEJO-WLSWZUKCSA-N -1 0 399.493 3.592 50 10 GHCARM COc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1O ZINC000013058267 570744386 /nfs/dbraw/zinc/74/43/86/570744386.db2.gz MLBIXYSBUNQOPP-DHDCSXOGSA-N -1 0 387.438 3.505 50 10 GHCARM Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc4nsnc43)c2)cs1 ZINC000019104330 570813897 /nfs/dbraw/zinc/81/38/97/570813897.db2.gz TUKKEIYMNAVXDS-UHFFFAOYSA-N -1 0 388.499 3.924 50 10 GHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000002371941 856982492 /nfs/dbraw/zinc/98/24/92/856982492.db2.gz HTSQRJIYJFZJLK-RVDMUPIBSA-N -1 0 377.375 3.671 50 10 GHCARM CCN(CC)c1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000033696473 885044797 /nfs/dbraw/zinc/04/47/97/885044797.db2.gz SGJLFPWANRLALC-NTCAYCPXSA-N -1 0 378.519 3.599 50 10 GHCARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)c2ccccc2)cc1 ZINC000000625005 203841376 /nfs/dbraw/zinc/84/13/76/203841376.db2.gz UNLFTWXGUFGGQA-UHFFFAOYSA-N -1 0 394.452 3.677 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000004291922 204036653 /nfs/dbraw/zinc/03/66/53/204036653.db2.gz JXLFVINTYJJOLS-NEPJUHHUSA-N -1 0 379.478 3.633 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000004291923 204036917 /nfs/dbraw/zinc/03/69/17/204036917.db2.gz JXLFVINTYJJOLS-RYUDHWBXSA-N -1 0 379.478 3.633 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000003634129 204016794 /nfs/dbraw/zinc/01/67/94/204016794.db2.gz OKQSNZTXVSFHIS-OLZOCXBDSA-N -1 0 391.489 3.799 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(Cl)c3)C2=O)cc1 ZINC000004703320 204066824 /nfs/dbraw/zinc/06/68/24/204066824.db2.gz RQAOEYPRRYGALX-GDNBJRDFSA-N -1 0 384.819 3.577 50 10 GHCARM CCOc1ccc(NC(=O)c2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC000004565312 204052943 /nfs/dbraw/zinc/05/29/43/204052943.db2.gz TYMGANZSRMQTAH-UHFFFAOYSA-N -1 0 387.391 3.819 50 10 GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000005178551 204116124 /nfs/dbraw/zinc/11/61/24/204116124.db2.gz UWFQYCKTRNOFEF-RIYZIHGNSA-N -1 0 386.410 3.699 50 10 GHCARM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 ZINC000005260165 204122286 /nfs/dbraw/zinc/12/22/86/204122286.db2.gz JRLOPDUBGLDLBX-UHFFFAOYSA-N -1 0 396.424 3.935 50 10 GHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc4ccccc34)C2=O)cc1 ZINC000005028687 204104785 /nfs/dbraw/zinc/10/47/85/204104785.db2.gz RKLGYXVXOKGZCV-ZHZULCJRSA-N -1 0 386.407 3.905 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000005717922 204148857 /nfs/dbraw/zinc/14/88/57/204148857.db2.gz KNTLMNCJNFJXAY-UPJWGTAASA-N -1 0 393.505 3.879 50 10 GHCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])CCC2 ZINC000005408482 204130259 /nfs/dbraw/zinc/13/02/59/204130259.db2.gz FELSALOMWGPMNN-KGLIPLIRSA-N -1 0 391.489 3.799 50 10 GHCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])CCC2 ZINC000005408484 204130309 /nfs/dbraw/zinc/13/03/09/204130309.db2.gz FELSALOMWGPMNN-KBPBESRZSA-N -1 0 391.489 3.799 50 10 GHCARM CCCCCCN1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(OC)c2OC)C1=O ZINC000006782988 204204070 /nfs/dbraw/zinc/20/40/70/204204070.db2.gz WELAFDKRYAOTDV-OWBHPGMISA-N -1 0 390.436 3.595 50 10 GHCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(CC)CC)o2)C1=O ZINC000008914648 204293221 /nfs/dbraw/zinc/29/32/21/204293221.db2.gz PPRVOQQNPUZYPL-DTQAZKPQSA-N -1 0 381.432 3.559 50 10 GHCARM Cc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000013130539 204482502 /nfs/dbraw/zinc/48/25/02/204482502.db2.gz MGJOLBLDGBXFNU-BQGMYUGNSA-N -1 0 383.494 3.892 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3F)s2)SC1=S ZINC000024751521 527608433 /nfs/dbraw/zinc/60/84/33/527608433.db2.gz WVVWZXRTOQJJFD-NTUHNPAUSA-N -1 0 379.459 3.840 50 10 GHCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100044299 570238283 /nfs/dbraw/zinc/23/82/83/570238283.db2.gz QZNVSTWGPWBZAO-ZDLGFXPLSA-N -1 0 395.375 3.838 50 10 GHCARM O=C([O-])COc1ccc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)cc1 ZINC000001127961 570244837 /nfs/dbraw/zinc/24/48/37/570244837.db2.gz WQMVKPFVOUTWLF-WJDWOHSUSA-N -1 0 391.514 3.932 50 10 GHCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000002103073 570274896 /nfs/dbraw/zinc/27/48/96/570274896.db2.gz IBSWYWFRZRNCFM-VXGBXAGGSA-N -1 0 379.478 3.633 50 10 GHCARM COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000006174114 570281011 /nfs/dbraw/zinc/28/10/11/570281011.db2.gz PFRHTNIOHQELCG-LDADJPATSA-N -1 0 377.396 3.570 50 10 GHCARM Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000002469613 570287895 /nfs/dbraw/zinc/28/78/95/570287895.db2.gz DRCWRKIFOBIOQG-UHFFFAOYSA-N -1 0 375.431 3.828 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002486397 570288169 /nfs/dbraw/zinc/28/81/69/570288169.db2.gz OKQSNZTXVSFHIS-QWHCGFSZSA-N -1 0 391.489 3.799 50 10 GHCARM CCN(CC)c1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000057122058 570701244 /nfs/dbraw/zinc/70/12/44/570701244.db2.gz KAMRWMOLBWEGHL-UHFFFAOYSA-N -1 0 383.492 3.680 50 10 GHCARM O=C1[N-]C(=O)C(=Cc2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N1 ZINC000001168722 570763624 /nfs/dbraw/zinc/76/36/24/570763624.db2.gz IBDFZJUSRSAQNR-UHFFFAOYSA-N -1 0 395.418 3.592 50 10 GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)cc1 ZINC000001184280 570791882 /nfs/dbraw/zinc/79/18/82/570791882.db2.gz PFZYHGCTZCRRQJ-DHZHZOJOSA-N -1 0 393.251 3.530 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNN1CCCCCC1 ZINC000002406268 858335593 /nfs/dbraw/zinc/33/55/93/858335593.db2.gz QNNLFQLGDDQWCN-SAPNQHFASA-N -1 0 378.432 3.527 50 10 GHCARM O=C([O-])CNc1cc(N2CCCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002457321 859913771 /nfs/dbraw/zinc/91/37/71/859913771.db2.gz DUECPGZZQNPHOE-UHFFFAOYSA-N -1 0 391.427 3.916 50 10 GHCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/c1cccc2ccccc12 ZINC000095346040 860552233 /nfs/dbraw/zinc/55/22/33/860552233.db2.gz SOOHHFKPYUPHAX-XSFVSMFZSA-N -1 0 388.398 3.683 50 10 GHCARM Cc1ccc(C)c([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000004289699 204036758 /nfs/dbraw/zinc/03/67/58/204036758.db2.gz PEIRUDDLVWFUTA-UHFFFAOYSA-N -1 0 391.448 3.880 50 10 GHCARM O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000004313805 204038422 /nfs/dbraw/zinc/03/84/22/204038422.db2.gz PKOFORSQGWYQOX-UHFFFAOYSA-N -1 0 397.839 3.916 50 10 GHCARM Cc1ccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000003877685 204021134 /nfs/dbraw/zinc/02/11/34/204021134.db2.gz HKHCPDXPVWSYRP-UHFFFAOYSA-N -1 0 377.421 3.571 50 10 GHCARM CC(C)C[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000004026331 204024046 /nfs/dbraw/zinc/02/40/46/204024046.db2.gz KKAMOXGUTPOGNY-GOSISDBHSA-N -1 0 381.428 3.755 50 10 biogenic GHCARM COc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1 ZINC000005000380 204101479 /nfs/dbraw/zinc/10/14/79/204101479.db2.gz JUOAWQDUJXKCCD-UHFFFAOYSA-N -1 0 378.428 3.820 50 10 GHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000005032421 204104836 /nfs/dbraw/zinc/10/48/36/204104836.db2.gz VFWZCEBSMLJBQZ-ZJTXEKFPSA-N -1 0 377.418 3.760 50 10 GHCARM O=C1[N-]C(=O)N(C2CCCCCC2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000005050924 204107690 /nfs/dbraw/zinc/10/76/90/204107690.db2.gz JJUXUMQDNJTBOP-RVDMUPIBSA-N -1 0 395.381 3.802 50 10 GHCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)c(Br)c1 ZINC000009059100 204298992 /nfs/dbraw/zinc/29/89/92/204298992.db2.gz IVMPSQAPIZZBLP-UHFFFAOYSA-N -1 0 375.178 3.607 50 10 GHCARM COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3[O-])SC2=S)cc1 ZINC000016671530 204597872 /nfs/dbraw/zinc/59/78/72/204597872.db2.gz BUEOAQGGUKGIOA-OQLLNIDSSA-N -1 0 388.426 3.715 50 10 GHCARM Cc1ccsc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000006173941 136196865 /nfs/dbraw/zinc/19/68/65/136196865.db2.gz YPFRXISDLHVRBL-WQLSENKSSA-N -1 0 376.890 3.850 50 10 GHCARM Cc1ccc(COc2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)cc2)cc1 ZINC000001476369 570242051 /nfs/dbraw/zinc/24/20/51/570242051.db2.gz QIVMWZQWLBIQQQ-YVLHZVERSA-N -1 0 399.493 3.860 50 10 GHCARM COC(=O)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001206090 570257667 /nfs/dbraw/zinc/25/76/67/570257667.db2.gz KNAXCEXZDODURQ-XNTDXEJSSA-N -1 0 384.775 3.633 50 10 GHCARM COc1ccccc1/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000001786531 570268473 /nfs/dbraw/zinc/26/84/73/570268473.db2.gz URPNZLDYZKVEOI-YSKWHIJTSA-N -1 0 399.493 3.592 50 10 GHCARM O=C([O-])c1cccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000002987944 570323718 /nfs/dbraw/zinc/32/37/18/570323718.db2.gz RADCHQLYGNHSHT-RIYZIHGNSA-N -1 0 386.410 3.699 50 10 GHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000027533788 570435140 /nfs/dbraw/zinc/43/51/40/570435140.db2.gz FTUMZFGDFHFZCL-HFQYIWAZSA-N -1 0 395.465 3.590 50 10 GHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000013683785 570773989 /nfs/dbraw/zinc/77/39/89/570773989.db2.gz TZYRCAXEVDGTMZ-CQSZACIVSA-N -1 0 392.411 3.591 50 10 GHCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3cccc4ccccc34)C2=O)cc1 ZINC000001197363 570792989 /nfs/dbraw/zinc/79/29/89/570792989.db2.gz CEACBNGIRLZOIZ-DEDYPNTBSA-N -1 0 386.407 3.510 50 10 GHCARM CCN(C)c1ccc(/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000017150073 570942340 /nfs/dbraw/zinc/94/23/40/570942340.db2.gz BWMCEQSCHBLFLB-IUXPMGMMSA-N -1 0 390.270 3.911 50 10 GHCARM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1O ZINC000001299852 570956850 /nfs/dbraw/zinc/95/68/50/570956850.db2.gz KSRMNXKLEPFIBM-GXDHUFHOSA-N -1 0 382.441 3.771 50 10 GHCARM COc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1O ZINC000001235933 905255026 /nfs/dbraw/zinc/25/50/26/905255026.db2.gz MZAQEGZNQJSDIL-OVCLIPMQSA-N -1 0 387.438 3.505 50 10 GHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000001192449 918514461 /nfs/dbraw/zinc/51/44/61/918514461.db2.gz APNSYCDVMRZNKG-ANSBUGDOSA-N -1 0 393.355 3.666 50 10 GHCARM CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002086584 203925752 /nfs/dbraw/zinc/92/57/52/203925752.db2.gz DLCAKYXPUCYWGE-CHWSQXEVSA-N -1 0 391.489 3.799 50 10 GHCARM COc1ccccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000004784044 204075426 /nfs/dbraw/zinc/07/54/26/204075426.db2.gz ZFMUWCMTEUUFTQ-UHFFFAOYSA-N -1 0 384.457 3.881 50 10 GHCARM COc1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)o2)cc1 ZINC000005032396 204104807 /nfs/dbraw/zinc/10/48/07/204104807.db2.gz HLRKUPNNEHAWGW-GDNBJRDFSA-N -1 0 389.454 3.631 50 10 GHCARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](c1ccccc1)C2 ZINC000006179793 204170099 /nfs/dbraw/zinc/17/00/99/204170099.db2.gz JWQDYWSEMAUTKI-ZDUSSCGKSA-N -1 0 387.457 3.611 50 10 GHCARM COc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2ccc(F)cc2)cc1 ZINC000006811740 204211004 /nfs/dbraw/zinc/21/10/04/204211004.db2.gz AVWHFXGUCHPZIW-UHFFFAOYSA-N -1 0 396.418 3.959 50 10 GHCARM CC(C)CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)SC1=S ZINC000002818497 570304679 /nfs/dbraw/zinc/30/46/79/570304679.db2.gz NXXFBZACGSCKKE-MLPAPPSSSA-N -1 0 385.894 3.661 50 10 GHCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000004701873 570395037 /nfs/dbraw/zinc/39/50/37/570395037.db2.gz QQXQGNPOHNNPGG-NSHDSACASA-N -1 0 381.494 3.879 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000002915915 570520906 /nfs/dbraw/zinc/52/09/06/570520906.db2.gz KXJAXAPJZLOCDE-MDWZMJQESA-N -1 0 393.251 3.530 50 10 GHCARM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000000980745 570742969 /nfs/dbraw/zinc/74/29/69/570742969.db2.gz NXJQNKIWOBBRPO-SFQUDFHCSA-N -1 0 389.367 3.625 50 10 GHCARM Cc1cccc(Cn2cccc2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1 ZINC000013550102 570757898 /nfs/dbraw/zinc/75/78/98/570757898.db2.gz IEBVSBAHUNWETM-XDHOZWIPSA-N -1 0 389.411 3.940 50 10 GHCARM COC(=O)c1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000001207951 570794102 /nfs/dbraw/zinc/79/41/02/570794102.db2.gz GZBVHNPYLFWXPX-GZTJUZNOSA-N -1 0 378.384 3.597 50 10 GHCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=CNc1ccccc1 ZINC000110373557 570935055 /nfs/dbraw/zinc/93/50/55/570935055.db2.gz DPEDCRWXVQTBQF-ZROIWOOFSA-N -1 0 392.267 3.737 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(F)c(-c3cccs3)c2)SC1=S ZINC000055038008 205140771 /nfs/dbraw/zinc/14/07/71/205140771.db2.gz IPMJOEYTEYAKPE-QPEQYQDCSA-N -1 0 379.459 3.840 50 10 GHCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cccnc1 ZINC000085875121 205130111 /nfs/dbraw/zinc/13/01/11/205130111.db2.gz ZCSNUFPPPYMLMZ-UHFFFAOYSA-N -1 0 376.372 3.678 50 10 biogenic GHCARM CC(C)[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 ZINC000096115761 206118352 /nfs/dbraw/zinc/11/83/52/206118352.db2.gz BTPCABAYRDUCFJ-NSHDSACASA-N -1 0 382.368 3.626 50 10 biogenic GHCARM COc1ccccc1/C=C1/SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000001452291 570226707 /nfs/dbraw/zinc/22/67/07/570226707.db2.gz LAVUPXNADVCYTE-RBFDBLARSA-N -1 0 385.466 3.722 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000000974453 570232574 /nfs/dbraw/zinc/23/25/74/570232574.db2.gz INJJOSSFKRLYRY-NVNXTCNLSA-N -1 0 385.422 3.519 50 10 GHCARM COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002174034 570277204 /nfs/dbraw/zinc/27/72/04/570277204.db2.gz PFRHTNIOHQELCG-PDGQHHTCSA-N -1 0 377.396 3.570 50 10 GHCARM O=C(COc1ccc(Nc2ccccc2)cc1)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000034852213 570544879 /nfs/dbraw/zinc/54/48/79/570544879.db2.gz IXVRWBKWQDERNA-UHFFFAOYSA-N -1 0 393.399 3.739 50 10 GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\C=C\c1ccco1 ZINC000012363095 570646156 /nfs/dbraw/zinc/64/61/56/570646156.db2.gz XPWBUEHPRHCINX-PZXDNKHOSA-N -1 0 393.251 3.974 50 10 GHCARM CCOc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000013343103 570753496 /nfs/dbraw/zinc/75/34/96/570753496.db2.gz PQYWGMWQZITRDB-QINSGFPZSA-N -1 0 379.503 3.932 50 10 GHCARM CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000004458257 570785531 /nfs/dbraw/zinc/78/55/31/570785531.db2.gz YCOCDCFOQOHGOO-WQLSENKSSA-N -1 0 379.199 3.735 50 10 GHCARM C[C@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4cc(Cl)cc(Cl)c4)C3=O)ccc2O1 ZINC000013897551 570799998 /nfs/dbraw/zinc/79/99/98/570799998.db2.gz DKYLXPXPXYCNBP-KCUAXXGYSA-N -1 0 389.238 3.778 50 10 GHCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000102570567 570852271 /nfs/dbraw/zinc/85/22/71/570852271.db2.gz CPTKRDAXBDAYQM-YRNVUSSQSA-N -1 0 389.202 3.573 50 10 GHCARM CCc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)s2)C(=O)[N-]C1=S ZINC000004819586 204079264 /nfs/dbraw/zinc/07/92/64/204079264.db2.gz GTJLLMBUXAFLPA-XFXZXTDPSA-N -1 0 376.890 3.795 50 10 GHCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1 ZINC000003771810 206213869 /nfs/dbraw/zinc/21/38/69/206213869.db2.gz VKOZIABZEIFGNX-GZTJUZNOSA-N -1 0 376.416 3.778 50 10 GHCARM COc1ccccc1-c1coc2c(ccc([O-])c2CN2C[C@H](C)O[C@@H](C)C2)c1=O ZINC000019898416 570228460 /nfs/dbraw/zinc/22/84/60/570228460.db2.gz ZPGSJCYMESNSHN-GJZGRUSLSA-N -1 0 395.455 3.783 50 10 biogenic GHCARM COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1O ZINC000000997437 570234460 /nfs/dbraw/zinc/23/44/60/570234460.db2.gz RCQJWWJVZGUTMI-NSIKDUERSA-N -1 0 386.791 3.559 50 10 GHCARM CN(C)c1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000001296410 570260474 /nfs/dbraw/zinc/26/04/74/570260474.db2.gz KWOGVNJDORJLAR-CXUHLZMHSA-N -1 0 379.243 3.915 50 10 GHCARM O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c([O-])c(Cl)cc(Cl)c3[O-])CC2)cc1 ZINC000025059873 570404735 /nfs/dbraw/zinc/40/47/35/570404735.db2.gz ZCHMRIJWYZYVFT-UHFFFAOYSA-N -1 0 398.246 3.635 50 10 GHCARM Cc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000001786548 570585898 /nfs/dbraw/zinc/58/58/98/570585898.db2.gz MGJOLBLDGBXFNU-WLSWZUKCSA-N -1 0 383.494 3.892 50 10 GHCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(F)c1)N2 ZINC000103020652 570873583 /nfs/dbraw/zinc/87/35/83/570873583.db2.gz DNWUTOQEGRTHMD-WWMYMODYSA-N -1 0 380.419 3.857 50 10 GHCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000017056866 570938012 /nfs/dbraw/zinc/93/80/12/570938012.db2.gz KGTJSWPVNAODTO-PTNGSMBKSA-N -1 0 387.823 3.650 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1 ZINC000001181265 918489590 /nfs/dbraw/zinc/48/95/90/918489590.db2.gz OINVQDVVQWTWJM-WOJGMQOQSA-N -1 0 384.395 3.959 50 10 GHCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000001192759 918514546 /nfs/dbraw/zinc/51/45/46/918514546.db2.gz IOCDFCKTUPJQFP-RGEXLXHISA-N -1 0 377.444 3.508 50 10 GHCARM COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000003889830 204021786 /nfs/dbraw/zinc/02/17/86/204021786.db2.gz NOVSSPYGFPZSIQ-RGEXLXHISA-N -1 0 395.455 3.948 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S ZINC000005028576 204104592 /nfs/dbraw/zinc/10/45/92/204104592.db2.gz LSOPXFMCYXTKBT-JYRVWZFOSA-N -1 0 391.495 3.858 50 10 GHCARM COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(Cl)c1O ZINC000005034509 204105280 /nfs/dbraw/zinc/10/52/80/204105280.db2.gz JGPNMRDRBDATOL-AUWJEWJLSA-N -1 0 386.791 3.559 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(Sc2ccccc2)o1 ZINC000008914107 204292892 /nfs/dbraw/zinc/29/28/92/204292892.db2.gz XZWGZXRTYIBFOH-WJDWOHSUSA-N -1 0 394.408 3.890 50 10 GHCARM O=C(c1ccco1)N1N=C(c2cccs2)C[C@@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000036055739 205003385 /nfs/dbraw/zinc/00/33/85/205003385.db2.gz BYZUFJDZLGEQJG-CQSZACIVSA-N -1 0 383.385 3.946 50 10 GHCARM C[C@@H](Oc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])cn1)c1ccccc1 ZINC000065607986 205238985 /nfs/dbraw/zinc/23/89/85/205238985.db2.gz GDKYDDVUXQPBQM-CQSZACIVSA-N -1 0 393.399 3.765 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1cnc(-c2ccccc2)nc1 ZINC000001180674 206212161 /nfs/dbraw/zinc/21/21/61/206212161.db2.gz HCSGRABLSNGLNO-WOJGMQOQSA-N -1 0 384.395 3.646 50 10 GHCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000005010286 206214684 /nfs/dbraw/zinc/21/46/84/206214684.db2.gz FFAONVWNCQONAF-PDGQHHTCSA-N -1 0 389.367 3.625 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000000658321 136192877 /nfs/dbraw/zinc/19/28/77/136192877.db2.gz LRTXGQIRTUIELX-SFQUDFHCSA-N -1 0 392.411 3.917 50 10 GHCARM Cc1ccc(COc2cccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c2)cc1 ZINC000001455452 570227004 /nfs/dbraw/zinc/22/70/04/570227004.db2.gz KGYHXMBWRQTXRK-YVLHZVERSA-N -1 0 399.493 3.860 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1 ZINC000001174043 570253641 /nfs/dbraw/zinc/25/36/41/570253641.db2.gz FLPDOGWCTAKDHM-HMMYKYKNSA-N -1 0 385.423 3.706 50 10 GHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1 ZINC000001445457 570263325 /nfs/dbraw/zinc/26/33/25/570263325.db2.gz DFTBLBLATSUWBL-LICLKQGHSA-N -1 0 375.384 3.694 50 10 biogenic GHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000001197465 570792967 /nfs/dbraw/zinc/79/29/67/570792967.db2.gz YKRRTGZXVNZKSZ-KVDBUQHUSA-N -1 0 379.397 3.823 50 10 GHCARM CCCC(=O)N[C@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000027571754 855205029 /nfs/dbraw/zinc/20/50/29/855205029.db2.gz SWOBWAGZEWEABU-LJQANCHMSA-N -1 0 395.415 3.863 50 10 GHCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)o1 ZINC000015836332 1021291422 /nfs/dbraw/zinc/29/14/22/1021291422.db2.gz RKTADGAEHCYLEY-QPEQYQDCSA-N -1 0 381.240 3.726 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000000967110 203869073 /nfs/dbraw/zinc/86/90/73/203869073.db2.gz DHUZZZSRYGMFNN-YBEGLDIGSA-N -1 0 385.466 3.551 50 10 GHCARM CCC[C@H]([NH2+]Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-])C(=O)[O-] ZINC000004540335 204050695 /nfs/dbraw/zinc/05/06/95/204050695.db2.gz MIAYPQQSTPAUKY-KRWDZBQOSA-N -1 0 381.428 3.817 50 10 GHCARM Cc1ccc(N2C(=O)C(=CNc3ccc4c(c3)CCC4)C(=O)[N-]C2=S)cc1C ZINC000009111056 204299739 /nfs/dbraw/zinc/29/97/39/204299739.db2.gz YENZZDDMEZBLEB-XDHOZWIPSA-N -1 0 391.496 3.536 50 10 GHCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000005541393 206215682 /nfs/dbraw/zinc/21/56/82/206215682.db2.gz YPMUKGGDCGLBHG-PDGQHHTCSA-N -1 0 389.367 3.625 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3)C2=O)cc1 ZINC000005033877 536184345 /nfs/dbraw/zinc/18/43/45/536184345.db2.gz UJYUIVVOBQNISJ-QNGOZBTKSA-N -1 0 399.450 3.765 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000001173969 570253644 /nfs/dbraw/zinc/25/36/44/570253644.db2.gz KSMSAZUYLGEKPG-QGOAFFKASA-N -1 0 391.814 3.797 50 10 GHCARM CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002086583 570274291 /nfs/dbraw/zinc/27/42/91/570274291.db2.gz DLCAKYXPUCYWGE-QWHCGFSZSA-N -1 0 391.489 3.799 50 10 GHCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000000694619 570292930 /nfs/dbraw/zinc/29/29/30/570292930.db2.gz IJSNECNIBOMXHU-ZROIWOOFSA-N -1 0 377.625 3.564 50 10 GHCARM COc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000002873531 570314256 /nfs/dbraw/zinc/31/42/56/570314256.db2.gz HXJAIQJWBKQZLU-PDGQHHTCSA-N -1 0 380.469 3.650 50 10 GHCARM COc1cccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c1OC ZINC000012625270 570691503 /nfs/dbraw/zinc/69/15/03/570691503.db2.gz LQIIUTOFNVIWSN-KAMYIIQDSA-N -1 0 395.502 3.550 50 10 GHCARM COc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000013124186 570747425 /nfs/dbraw/zinc/74/74/25/570747425.db2.gz ICUTYELDIHZELF-WISAJEAXSA-N -1 0 399.493 3.592 50 10 GHCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000001059636 570749343 /nfs/dbraw/zinc/74/93/43/570749343.db2.gz OIMYEUGBINLUFN-ZROIWOOFSA-N -1 0 377.625 3.564 50 10 GHCARM CC1=NN(c2ccc(F)cc2)C(=O)C1=CN=c1[nH]c2ccc(C(=O)[O-])cc2s1 ZINC000101124869 570815760 /nfs/dbraw/zinc/81/57/60/570815760.db2.gz PREAFBJMAFZOLV-NTEUORMPSA-N -1 0 396.403 3.852 50 10 GHCARM CCOc1cc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)ccc1OC ZINC000027571849 855204552 /nfs/dbraw/zinc/20/45/52/855204552.db2.gz PPZRMAKENVQECL-LICLKQGHSA-N -1 0 398.440 3.875 50 10 GHCARM COc1ccc(OC)c(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c1 ZINC000013402131 859909317 /nfs/dbraw/zinc/90/93/17/859909317.db2.gz JOTJXNHKWYJEFW-PTNGSMBKSA-N -1 0 395.502 3.550 50 10 GHCARM COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)c(OC)c1 ZINC000217597305 894036227 /nfs/dbraw/zinc/03/62/27/894036227.db2.gz SSLYXMZYYWMVTK-UHFFFAOYSA-N -1 0 377.356 3.953 50 10 biogenic GHCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S ZINC000002209520 203931670 /nfs/dbraw/zinc/93/16/70/203931670.db2.gz QGVJPYKOIXGERW-FLIBITNWSA-N -1 0 375.393 3.771 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000004703286 204066155 /nfs/dbraw/zinc/06/61/55/204066155.db2.gz ONVWZJGXPPJZBL-UYRXBGFRSA-N -1 0 387.439 3.716 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000004704532 204066494 /nfs/dbraw/zinc/06/64/94/204066494.db2.gz GOIPAJDVCSPIHE-VBKFSLOCSA-N -1 0 399.834 3.590 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000005013968 204102547 /nfs/dbraw/zinc/10/25/47/204102547.db2.gz XKYOTPNVJLREHV-ZROIWOOFSA-N -1 0 377.418 3.762 50 10 GHCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cccc(Br)c3)C2=O)cc1Cl ZINC000005547192 204138253 /nfs/dbraw/zinc/13/82/53/204138253.db2.gz QMZUKGXWUBUGHG-ZSOIEALJSA-N -1 0 391.652 3.872 50 10 GHCARM CCc1ccccc1N1C(=O)/C(=C\c2ccc(N(CC)CC)o2)C(=O)[N-]C1=S ZINC000012363646 204399826 /nfs/dbraw/zinc/39/98/26/204399826.db2.gz ZFNCLGWFRNJEBG-SSZFMOIBSA-N -1 0 397.500 3.520 50 10 GHCARM O=c1c(C=Nc2cccc(F)c2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1 ZINC000100057188 570265744 /nfs/dbraw/zinc/26/57/44/570265744.db2.gz GNKGXLMEMWQTLO-ZROIWOOFSA-N -1 0 394.284 3.995 50 10 GHCARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000100316588 570270927 /nfs/dbraw/zinc/27/09/27/570270927.db2.gz DLLGCTNXMGUYPC-GDNBJRDFSA-N -1 0 386.795 3.975 50 10 GHCARM CCCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002086585 570274203 /nfs/dbraw/zinc/27/42/03/570274203.db2.gz DLCAKYXPUCYWGE-STQMWFEESA-N -1 0 391.489 3.799 50 10 GHCARM O=C([O-])C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000001787852 570424835 /nfs/dbraw/zinc/42/48/35/570424835.db2.gz ZBJMXVOFRVUGRG-HEUOVEHFSA-N -1 0 385.466 3.809 50 10 GHCARM CCOC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000103250460 570880442 /nfs/dbraw/zinc/88/04/42/570880442.db2.gz RJBLFNZKGJEULE-SFQUDFHCSA-N -1 0 393.399 3.591 50 10 GHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000027532433 855093671 /nfs/dbraw/zinc/09/36/71/855093671.db2.gz NMWMCICEYSCGNY-UHFFFAOYSA-N -1 0 380.400 3.562 50 10 GHCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2Cl)C1=O ZINC000001142731 918462326 /nfs/dbraw/zinc/46/23/26/918462326.db2.gz QQEOYQUFAQVVQE-GXDHUFHOSA-N -1 0 395.871 3.961 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000000974098 203868648 /nfs/dbraw/zinc/86/86/48/203868648.db2.gz RDJKMVNGMRPGAI-QPEQYQDCSA-N -1 0 379.846 3.886 50 10 GHCARM Cc1ccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c(C)c1 ZINC000004289698 204037099 /nfs/dbraw/zinc/03/70/99/204037099.db2.gz SXEAIGBOHRQSJH-UHFFFAOYSA-N -1 0 391.448 3.880 50 10 GHCARM Cc1c(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c2ccccc2n1C ZINC000004649284 204058962 /nfs/dbraw/zinc/05/89/62/204058962.db2.gz XUVGFTUJMICVKP-PDGQHHTCSA-N -1 0 389.480 3.626 50 10 GHCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000004982690 204100073 /nfs/dbraw/zinc/10/00/73/204100073.db2.gz JVVHPNKRXXLKBZ-GDNBJRDFSA-N -1 0 386.795 3.975 50 10 GHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000005032410 204104845 /nfs/dbraw/zinc/10/48/45/204104845.db2.gz MUFFOAIRBWYSLL-ZJTXEKFPSA-N -1 0 377.418 3.760 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(O)cc1 ZINC000008995738 204296176 /nfs/dbraw/zinc/29/61/76/204296176.db2.gz NCKKOWAMSCMEQF-ZROIWOOFSA-N -1 0 387.189 3.661 50 10 GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)c1 ZINC000013735293 204510700 /nfs/dbraw/zinc/51/07/00/204510700.db2.gz BGJDWLZVDPOAOK-GDNBJRDFSA-N -1 0 393.449 3.734 50 10 GHCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cccc(O)c1 ZINC000085876973 205130886 /nfs/dbraw/zinc/13/08/86/205130886.db2.gz QQFCFBFWEUEDKA-UHFFFAOYSA-N -1 0 391.383 3.989 50 10 biogenic GHCARM CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000000680374 205693654 /nfs/dbraw/zinc/69/36/54/205693654.db2.gz PJJVEPDMFBFKNJ-FRKPEAEDSA-N -1 0 376.243 3.521 50 10 GHCARM CCCCCCNC=C1C(=O)[N-]C(=S)N(c2cccc3ccccc32)C1=O ZINC000101042904 136195942 /nfs/dbraw/zinc/19/59/42/136195942.db2.gz FKOKVOSXLMGERG-VKAVYKQESA-N -1 0 381.501 3.641 50 10 GHCARM COc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S ZINC000001302431 136196457 /nfs/dbraw/zinc/19/64/57/136196457.db2.gz XBXSMLAXYWZVGC-RVDMUPIBSA-N -1 0 391.452 3.859 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000001067029 570240361 /nfs/dbraw/zinc/24/03/61/570240361.db2.gz GJNYBCDCNZQDMW-SDKHNTRVSA-N -1 0 377.356 3.966 50 10 GHCARM CN(c1ccccc1)c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000001139940 570247345 /nfs/dbraw/zinc/24/73/45/570247345.db2.gz ZGDGOTJJCYDFKM-LFIBNONCSA-N -1 0 384.482 3.740 50 10 GHCARM O=S(=O)([N-]c1nccs1)c1ccc(NCc2cc(Cl)ccc2O)cc1 ZINC000000793992 570334428 /nfs/dbraw/zinc/33/44/28/570334428.db2.gz ZYXOXRVBILGFMQ-UHFFFAOYSA-N -1 0 395.893 3.915 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)c1C ZINC000001180398 570791454 /nfs/dbraw/zinc/79/14/54/570791454.db2.gz MVIDNXXZGAWGFL-GHRIWEEISA-N -1 0 393.443 3.553 50 10 GHCARM O=C([O-])c1cccc(N2N=C(C(F)(F)F)/C(=C/C=C/c3ccco3)C2=O)c1 ZINC000017150179 570942349 /nfs/dbraw/zinc/94/23/49/570942349.db2.gz KGQOXNCSLLHZTQ-NTOUICHMSA-N -1 0 376.290 3.883 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000013062620 840622862 /nfs/dbraw/zinc/62/28/62/840622862.db2.gz UFWMPQNXIXEGJU-XQQFMLRXSA-N -1 0 391.489 3.655 50 10 GHCARM COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000004699098 204065061 /nfs/dbraw/zinc/06/50/61/204065061.db2.gz MFCSCUOTWJKZTK-PTNGSMBKSA-N -1 0 397.814 3.915 50 10 GHCARM COc1ccccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccccc1 ZINC000004784046 204075297 /nfs/dbraw/zinc/07/52/97/204075297.db2.gz DZARDFWHLQDPBP-UHFFFAOYSA-N -1 0 378.428 3.820 50 10 GHCARM CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000000665247 570215046 /nfs/dbraw/zinc/21/50/46/570215046.db2.gz KSPLLJHNASWJRT-DHZHZOJOSA-N -1 0 379.199 3.735 50 10 GHCARM COc1ccc(-n2[n-]c(C)c(C(C)=Nc3cccc(OC)c3OC)c2=O)cc1 ZINC000100423141 570359969 /nfs/dbraw/zinc/35/99/69/570359969.db2.gz IOAKHOOONZSUSQ-UYRXBGFRSA-N -1 0 381.432 3.821 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000002810661 570519229 /nfs/dbraw/zinc/51/92/29/570519229.db2.gz YXEMCNXGXDEDFU-LFIBNONCSA-N -1 0 384.819 3.577 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000000903141 570724192 /nfs/dbraw/zinc/72/41/92/570724192.db2.gz GOIPAJDVCSPIHE-FOWTUZBSSA-N -1 0 399.834 3.590 50 10 GHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000000966991 570739584 /nfs/dbraw/zinc/73/95/84/570739584.db2.gz JXPDZYUODGTZMZ-GPLLRDDGSA-N -1 0 399.493 3.940 50 10 GHCARM CC(C)CCN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1 ZINC000013800282 570791225 /nfs/dbraw/zinc/79/12/25/570791225.db2.gz LCXBESUVNGDHSN-ZHZULCJRSA-N -1 0 381.451 3.769 50 10 GHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000001202589 570793870 /nfs/dbraw/zinc/79/38/70/570793870.db2.gz FWNWTICDDOFBGU-XSFVSMFZSA-N -1 0 388.398 3.866 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1Cc1ccccc1F ZINC000013896914 570799984 /nfs/dbraw/zinc/79/99/84/570799984.db2.gz IRZWBSFVDXWTFQ-GZTJUZNOSA-N -1 0 393.374 3.771 50 10 GHCARM CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000016116121 570914089 /nfs/dbraw/zinc/91/40/89/570914089.db2.gz PJJVEPDMFBFKNJ-APSNUPSMSA-N -1 0 376.243 3.521 50 10 GHCARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Cl)cc(Cl)c2[O-])[NH2+]1 ZINC000000754317 918039068 /nfs/dbraw/zinc/03/90/68/918039068.db2.gz AKQJKFSWUKPUMJ-GOEBONIOSA-N -1 0 377.227 3.869 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000004291924 204036511 /nfs/dbraw/zinc/03/65/11/204036511.db2.gz JXLFVINTYJJOLS-VXGBXAGGSA-N -1 0 379.478 3.633 50 10 GHCARM CC[C@H](C)Oc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000004723732 204069471 /nfs/dbraw/zinc/06/94/71/204069471.db2.gz SQFQNHXGCQXWSD-IGWPVBGESA-N -1 0 398.459 3.834 50 10 GHCARM CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1Cl ZINC000004682276 204062735 /nfs/dbraw/zinc/06/27/35/204062735.db2.gz ATNCNVASFPJZIE-DGGAMASNSA-N -1 0 399.834 3.579 50 10 GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000005756970 204149925 /nfs/dbraw/zinc/14/99/25/204149925.db2.gz SIHIPCSMDSDSMP-WUXMJOGZSA-N -1 0 393.251 3.530 50 10 GHCARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000059475180 205178515 /nfs/dbraw/zinc/17/85/15/205178515.db2.gz RWXCOFRIOVUJLK-NTEUORMPSA-N -1 0 377.625 3.564 50 10 GHCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C ZINC000001219485 136196196 /nfs/dbraw/zinc/19/61/96/136196196.db2.gz GMJSEXYFGNBLAV-XYOKQWHBSA-N -1 0 392.242 3.615 50 10 GHCARM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000000661039 570215132 /nfs/dbraw/zinc/21/51/32/570215132.db2.gz XMGJHEMANGCLIB-QZRSKMOPSA-N -1 0 392.480 3.700 50 10 GHCARM Cc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCCCC3)cc1 ZINC000000995057 570234553 /nfs/dbraw/zinc/23/45/53/570234553.db2.gz HJBKZQDOUPLIBK-UHFFFAOYSA-N -1 0 378.519 3.615 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S ZINC000001907738 570270131 /nfs/dbraw/zinc/27/01/31/570270131.db2.gz YPGDHNMSGUBRQU-FLIBITNWSA-N -1 0 386.292 3.515 50 10 GHCARM COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)cc1O ZINC000012297006 570293836 /nfs/dbraw/zinc/29/38/36/570293836.db2.gz ZCOWMEDZXJULJW-CQSZACIVSA-N -1 0 394.427 3.577 50 10 biogenic GHCARM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(Br)cc1Cl ZINC000005121229 570420556 /nfs/dbraw/zinc/42/05/56/570420556.db2.gz SVIVUWMNACYVKQ-UHFFFAOYSA-N -1 0 390.642 3.632 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000004703303 204066168 /nfs/dbraw/zinc/06/61/68/204066168.db2.gz NWJUCMHYYKSGBP-KPKJPENVSA-N -1 0 379.174 3.799 50 10 GHCARM CN(C)c1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004869418 204084580 /nfs/dbraw/zinc/08/45/80/204084580.db2.gz CGFOHMURZJRDKX-HXUWFJFHSA-N -1 0 379.460 3.685 50 10 GHCARM O=C1[N-]C(=O)C(=C/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1 ZINC000004536197 204050984 /nfs/dbraw/zinc/05/09/84/204050984.db2.gz FMAFXJUEXNHKBM-OWOJBTEDSA-N -1 0 377.183 3.559 50 10 GHCARM CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000005093928 204111477 /nfs/dbraw/zinc/11/14/77/204111477.db2.gz SKOBCJANFQIDRJ-QWHCGFSZSA-N -1 0 391.489 3.798 50 10 GHCARM COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc([N+](=O)[O-])c1[O-] ZINC000036143498 205007305 /nfs/dbraw/zinc/00/73/05/205007305.db2.gz SBFVPYOZTFJZNT-LZYBPNLTSA-N -1 0 381.388 3.732 50 10 GHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000022184949 570306894 /nfs/dbraw/zinc/30/68/94/570306894.db2.gz IUVHEGUATWJXPO-YRNVUSSQSA-N -1 0 381.240 3.726 50 10 GHCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2 ZINC000217683740 570320074 /nfs/dbraw/zinc/32/00/74/570320074.db2.gz DNWUTOQEGRTHMD-CBGDNZLLSA-N -1 0 380.419 3.857 50 10 GHCARM COc1ccc([C@H](NC(=O)C(C)C)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1 ZINC000012381914 570321895 /nfs/dbraw/zinc/32/18/95/570321895.db2.gz RUEYMBHMDRYCAS-SFHVURJKSA-N -1 0 395.415 3.719 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCCc3ccccc3)cc2)SC1=S ZINC000004723483 570862362 /nfs/dbraw/zinc/86/23/62/570862362.db2.gz NHLPUJOIZWQBTM-SFQUDFHCSA-N -1 0 399.493 3.594 50 10 GHCARM O=C([N-]N1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1cccs1 ZINC000001412535 570990005 /nfs/dbraw/zinc/99/00/05/570990005.db2.gz DRISUHCIBKPHCX-XYOKQWHBSA-N -1 0 380.903 3.948 50 10 GHCARM O=C([O-])CCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000002672398 861504721 /nfs/dbraw/zinc/50/47/21/861504721.db2.gz OSAXJIQYXBIGMP-WJDWOHSUSA-N -1 0 389.498 3.852 50 10 GHCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C ZINC000000642268 206311655 /nfs/dbraw/zinc/31/16/55/206311655.db2.gz PFRLERCKNRZMFC-YVLHZVERSA-N -1 0 385.464 3.656 50 10 GHCARM CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(CC)c2C)C(=O)[N-]C1=S ZINC000001126931 206356368 /nfs/dbraw/zinc/35/63/68/206356368.db2.gz JBDHIEGRCBQLIF-SFQUDFHCSA-N -1 0 381.501 3.519 50 10 GHCARM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)[N-]C1=S ZINC000001134131 206357690 /nfs/dbraw/zinc/35/76/90/206357690.db2.gz BKZCGDDUMIFZFE-NTEUORMPSA-N -1 0 395.871 3.961 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(F)c2)o1 ZINC000002099499 206398697 /nfs/dbraw/zinc/39/86/97/206398697.db2.gz QCPCFLRTZVCUPT-SFQUDFHCSA-N -1 0 392.411 3.917 50 10 GHCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000004649604 206537720 /nfs/dbraw/zinc/53/77/20/206537720.db2.gz NBKUKCKAJFELCL-WCWDXBQESA-N -1 0 376.342 3.918 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000017080415 207083691 /nfs/dbraw/zinc/08/36/91/207083691.db2.gz KNTLMNCJNFJXAY-XQQFMLRXSA-N -1 0 393.505 3.879 50 10 GHCARM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000057372505 132451207 /nfs/dbraw/zinc/45/12/07/132451207.db2.gz QKGPGZONIWNWKU-BETUJISGSA-N -1 0 392.858 3.728 50 10 GHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001806842 570268924 /nfs/dbraw/zinc/26/89/24/570268924.db2.gz YXNAFKSTVBIXPB-JFBXQDQPSA-N -1 0 375.496 3.645 50 10 GHCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000035686307 570417808 /nfs/dbraw/zinc/41/78/08/570417808.db2.gz SFOHVNOYPYRRLD-LJQANCHMSA-N -1 0 395.455 3.627 50 10 GHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000008739022 570538885 /nfs/dbraw/zinc/53/88/85/570538885.db2.gz FAPBNGWVELSHKL-GDNBJRDFSA-N -1 0 399.834 3.921 50 10 GHCARM O=C([O-])c1cc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)ccc1O ZINC000005345826 570561145 /nfs/dbraw/zinc/56/11/45/570561145.db2.gz RIMNAIQAFKNDIH-APSNUPSMSA-N -1 0 396.449 3.978 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C\c2csc(Br)c2)SC1=S ZINC000032789558 570814329 /nfs/dbraw/zinc/81/43/29/570814329.db2.gz RDBDTOIUZUXWPL-XBXARRHUSA-N -1 0 392.321 3.577 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000101350293 570821096 /nfs/dbraw/zinc/82/10/96/570821096.db2.gz XBDCXQZGKOSZOZ-UKTHLTGXSA-N -1 0 390.226 3.881 50 10 GHCARM Cc1cc2oc(=O)cc(-c3ccccc3)c2c([O-])c1C[NH2+][C@H](C(=O)[O-])C(C)C ZINC000004540331 570851457 /nfs/dbraw/zinc/85/14/57/570851457.db2.gz ZKHLJRPPHRLYGR-FQEVSTJZSA-N -1 0 381.428 3.673 50 10 GHCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cccnc1Sc1ccccc1 ZINC000012783072 571036283 /nfs/dbraw/zinc/03/62/83/571036283.db2.gz FJLOPMHWDPUWRT-UHFFFAOYSA-N -1 0 381.413 3.777 50 10 GHCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc2c1OCO2 ZINC000217718807 894288080 /nfs/dbraw/zinc/28/80/80/894288080.db2.gz HIBVUNCNAGGQBD-UHFFFAOYSA-N -1 0 391.339 3.673 50 10 biogenic GHCARM COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)ccc1OCC(=O)[O-] ZINC000016915417 206256278 /nfs/dbraw/zinc/25/62/78/206256278.db2.gz IKNXSMXFYRBJHP-LICLKQGHSA-N -1 0 398.440 3.549 50 10 GHCARM COc1ccc(N2C(=O)C(=Cc3cccn3C(C)(C)C)C(=O)[N-]C2=S)cc1 ZINC000000642269 206312175 /nfs/dbraw/zinc/31/21/75/206312175.db2.gz RYRHKOMWUNSCET-VBKFSLOCSA-N -1 0 383.473 3.923 50 10 GHCARM Cc1c(Cc2ccccc2)sc([N-]S(=O)(=O)c2ccccc2)c1C(N)=O ZINC000001088060 206350909 /nfs/dbraw/zinc/35/09/09/206350909.db2.gz BVCZYMYIMDOSME-UHFFFAOYSA-N -1 0 386.498 3.547 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000001105111 206351926 /nfs/dbraw/zinc/35/19/26/206351926.db2.gz IRBFROZAKSDDSZ-RVDMUPIBSA-N -1 0 394.333 3.891 50 10 GHCARM COc1ccccc1/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000001786536 206392398 /nfs/dbraw/zinc/39/23/98/206392398.db2.gz URPNZLDYZKVEOI-YHZJOHHESA-N -1 0 399.493 3.592 50 10 GHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=NNc3cccc4ccccc43)C2=O)cc1 ZINC000004657343 206537700 /nfs/dbraw/zinc/53/77/00/206537700.db2.gz HCOBGICBUPMEEQ-WCWDXBQESA-N -1 0 388.383 3.809 50 10 GHCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccccc1 ZINC000017299994 207088606 /nfs/dbraw/zinc/08/86/06/207088606.db2.gz SPXGKDMELWNCBN-XSFVSMFZSA-N -1 0 391.471 3.889 50 10 GHCARM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCSCC3)c2=O)cc1 ZINC000085879540 208101457 /nfs/dbraw/zinc/10/14/57/208101457.db2.gz BPMPOUSHENUIGR-UHFFFAOYSA-N -1 0 383.469 3.723 50 10 biogenic GHCARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000007990570 221022584 /nfs/dbraw/zinc/02/25/84/221022584.db2.gz DZLQIXMVDVWVMU-UHFFFAOYSA-N -1 0 387.486 3.878 50 10 GHCARM Cc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C ZINC000005784031 136195024 /nfs/dbraw/zinc/19/50/24/136195024.db2.gz FHZCDUNBOZHNJT-PDGQHHTCSA-N -1 0 389.480 3.626 50 10 GHCARM CN1c2ccccc2C(C)(C)/C1=C\C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000004782588 570405288 /nfs/dbraw/zinc/40/52/88/570405288.db2.gz JVWYTZGULFPUKA-VOMDNODZSA-N -1 0 388.514 3.517 50 10 GHCARM CCn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000013553121 570758242 /nfs/dbraw/zinc/75/82/42/570758242.db2.gz IGNSBUAPDSWGHL-PTNGSMBKSA-N -1 0 393.443 3.632 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C/c2cc(Br)cs2)SC1=S ZINC000040161153 856691611 /nfs/dbraw/zinc/69/16/11/856691611.db2.gz ZQBJNZJSNKIQGM-UITAMQMPSA-N -1 0 392.321 3.577 50 10 GHCARM CC[C@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21)C(=O)[O-] ZINC000020111208 860489371 /nfs/dbraw/zinc/48/93/71/860489371.db2.gz IJAAWTXJFCQYFT-ORAYPTAESA-N -1 0 397.427 3.880 50 10 biogenic GHCARM Cc1oc2c(ccc([O-])c2CN2CCOCC2)c(=O)c1-c1ccc(Cl)cc1 ZINC000020358265 206296937 /nfs/dbraw/zinc/29/69/37/206296937.db2.gz QMOAHJJCHBVZHQ-UHFFFAOYSA-N -1 0 385.847 3.960 50 10 GHCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000000665192 206313893 /nfs/dbraw/zinc/31/38/93/206313893.db2.gz NYIVNNBOJCGRQK-MOSHPQCFSA-N -1 0 391.471 3.882 50 10 GHCARM CCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=N)S1 ZINC000004548179 206528023 /nfs/dbraw/zinc/52/80/23/206528023.db2.gz MTHVSMCZGXHTMW-PNZWKLPWSA-N -1 0 394.412 3.674 50 10 GHCARM COc1ccccc1/C=C1\SC(=S)N([C@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000013576657 206981704 /nfs/dbraw/zinc/98/17/04/206981704.db2.gz URPNZLDYZKVEOI-UHVIJJLKSA-N -1 0 399.493 3.592 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000017194683 207086783 /nfs/dbraw/zinc/08/67/83/207086783.db2.gz MJTKRVDUVQKIIJ-XFXZXTDPSA-N -1 0 386.404 3.515 50 10 GHCARM CN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000020101334 207177177 /nfs/dbraw/zinc/17/71/77/207177177.db2.gz GMPHDVGWIINCED-CQSZACIVSA-N -1 0 384.288 3.603 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Cl ZINC000100401301 136189131 /nfs/dbraw/zinc/18/91/31/136189131.db2.gz RMRZBSUUEZCSMY-XFXZXTDPSA-N -1 0 376.199 3.572 50 10 GHCARM COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)cc1 ZINC000012296398 570293912 /nfs/dbraw/zinc/29/39/12/570293912.db2.gz QNGRYTQBOXEJHD-QGZVFWFLSA-N -1 0 390.439 3.743 50 10 biogenic GHCARM Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1 ZINC000004952458 570419500 /nfs/dbraw/zinc/41/95/00/570419500.db2.gz ADVMFJNIQLFCPI-ATVHPVEESA-N -1 0 389.367 3.625 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)cc1 ZINC000013734057 570783535 /nfs/dbraw/zinc/78/35/35/570783535.db2.gz JRIPEOFONMPLHO-MHWRWJLKSA-N -1 0 393.449 3.734 50 10 GHCARM CC[C@@H](C)Oc1ccccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000004723731 570862408 /nfs/dbraw/zinc/86/24/08/570862408.db2.gz SQFQNHXGCQXWSD-KAECEXQPSA-N -1 0 398.459 3.834 50 10 GHCARM Nc1[n-]n2c(nc3c(c2=O)CCCC3)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000334159052 841153799 /nfs/dbraw/zinc/15/37/99/841153799.db2.gz NBKUKCKAJFELCL-UHFFFAOYSA-N -1 0 376.342 3.918 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3cccs3)cc2F)SC1=S ZINC000055038004 855248491 /nfs/dbraw/zinc/24/84/91/855248491.db2.gz BNNLXOWWVUFLEC-QPEQYQDCSA-N -1 0 379.459 3.840 50 10 GHCARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(-n2c(C)ccc2C)cc1 ZINC000003997653 862697845 /nfs/dbraw/zinc/69/78/45/862697845.db2.gz DLDNFAPIBXTKPD-UHFFFAOYSA-N -1 0 384.457 3.682 50 10 GHCARM CCCn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000002375266 857054538 /nfs/dbraw/zinc/05/45/38/857054538.db2.gz FLEUZOSQWCXRON-CPNJWEJPSA-N -1 0 387.439 3.918 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000001195084 918516941 /nfs/dbraw/zinc/51/69/41/918516941.db2.gz OSKHGEDXRLITPG-MDWZMJQESA-N -1 0 377.252 3.825 50 10 GHCARM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000001197459 206367050 /nfs/dbraw/zinc/36/70/50/206367050.db2.gz OHSGJXJUWYJXHH-QGOAFFKASA-N -1 0 388.448 3.680 50 10 GHCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])CCCC2 ZINC000004651475 206536467 /nfs/dbraw/zinc/53/64/67/206536467.db2.gz FNFQUUVVMMQRLD-KGLIPLIRSA-N -1 0 391.489 3.799 50 10 GHCARM CCOc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000009310655 206782124 /nfs/dbraw/zinc/78/21/24/206782124.db2.gz LHENNNSDSWTPTL-OQLLNIDSSA-N -1 0 389.454 3.631 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3C)C2=O)c(C)c1 ZINC000017198552 207086802 /nfs/dbraw/zinc/08/68/02/207086802.db2.gz QMAOYJISILWJKJ-GDNBJRDFSA-N -1 0 383.835 3.844 50 10 GHCARM COc1ccccc1-c1coc2c(ccc([O-])c2CN2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000019898417 207169929 /nfs/dbraw/zinc/16/99/29/207169929.db2.gz ZPGSJCYMESNSHN-HUUCEWRRSA-N -1 0 395.455 3.783 50 10 biogenic GHCARM COc1ccccc1-c1coc2c(ccc([O-])c2CN2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000019898415 207170408 /nfs/dbraw/zinc/17/04/08/207170408.db2.gz ZPGSJCYMESNSHN-GASCZTMLSA-N -1 0 395.455 3.783 50 10 biogenic GHCARM Cc1ccc(O)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)[O-])c1 ZINC000080316238 208076283 /nfs/dbraw/zinc/07/62/83/208076283.db2.gz WYKJGHKPMLYESS-QGZVFWFLSA-N -1 0 386.835 3.897 50 10 GHCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2 ZINC000217683666 208830223 /nfs/dbraw/zinc/83/02/23/208830223.db2.gz DNWUTOQEGRTHMD-LLGFUMIMSA-N -1 0 380.419 3.857 50 10 GHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c1 ZINC000008994361 136195874 /nfs/dbraw/zinc/19/58/74/136195874.db2.gz DFTBLBLATSUWBL-YVLHZVERSA-N -1 0 375.384 3.694 50 10 GHCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2C)C1=O ZINC000001134951 136195969 /nfs/dbraw/zinc/19/59/69/136195969.db2.gz KJXXJPCYTPQLKR-DHZHZOJOSA-N -1 0 376.890 3.850 50 10 GHCARM CC(C)C[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000004026330 570354724 /nfs/dbraw/zinc/35/47/24/570354724.db2.gz KKAMOXGUTPOGNY-SFHVURJKSA-N -1 0 381.428 3.755 50 10 biogenic GHCARM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000004050220 570355592 /nfs/dbraw/zinc/35/55/92/570355592.db2.gz NHCACBWUUHBNDM-UHFFFAOYSA-N -1 0 377.183 3.535 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000004704560 570395852 /nfs/dbraw/zinc/39/58/52/570395852.db2.gz LQQZJSSQTYPPRT-RIYZIHGNSA-N -1 0 375.211 3.968 50 10 GHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccc(N(C)C)cc3)C2=O)c1 ZINC000005025987 570424610 /nfs/dbraw/zinc/42/46/10/570424610.db2.gz AOXQMDNIXINZBX-RGQKVHTQSA-N -1 0 389.455 3.796 50 10 GHCARM C[C@H]1CN(c2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2F)C[C@H](C)O1 ZINC000057372507 862065636 /nfs/dbraw/zinc/06/56/36/862065636.db2.gz QKGPGZONIWNWKU-STQMWFEESA-N -1 0 392.858 3.728 50 10 GHCARM COc1cccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000002277815 856360406 /nfs/dbraw/zinc/36/04/06/856360406.db2.gz AISIGWPPWNAELV-YVLHZVERSA-N -1 0 391.452 3.859 50 10 GHCARM COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)ccc1OCC(=O)[O-] ZINC000016915413 206257144 /nfs/dbraw/zinc/25/71/44/206257144.db2.gz NWIZDYOPPOQIOO-LICLKQGHSA-N -1 0 398.440 3.549 50 10 GHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)c1 ZINC000001206864 206366176 /nfs/dbraw/zinc/36/61/76/206366176.db2.gz JHIXMTCZKCSBJZ-MHWRWJLKSA-N -1 0 399.244 3.732 50 10 GHCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000002084009 206398942 /nfs/dbraw/zinc/39/89/42/206398942.db2.gz LDXQJMVOLDCGAV-ZROIWOOFSA-N -1 0 390.226 3.881 50 10 GHCARM COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000005032391 208666412 /nfs/dbraw/zinc/66/64/12/208666412.db2.gz ORTUCGOLAGIHNM-XBDQXEDDSA-N -1 0 389.454 3.630 50 10 GHCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000013765465 136201421 /nfs/dbraw/zinc/20/14/21/136201421.db2.gz LLHHPEPZXVMQSR-DHDCSXOGSA-N -1 0 396.399 3.528 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1C ZINC000004704715 570395801 /nfs/dbraw/zinc/39/58/01/570395801.db2.gz XNPOHOYZTGZBJV-XSFVSMFZSA-N -1 0 389.455 3.570 50 10 GHCARM COC(=O)c1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(OC)cc2)c1 ZINC000002621729 570500935 /nfs/dbraw/zinc/50/09/35/570500935.db2.gz MNRILLBYKFMTTO-UHFFFAOYSA-N -1 0 379.412 3.957 50 10 GHCARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000036352575 570634209 /nfs/dbraw/zinc/63/42/09/570634209.db2.gz OTTPLIHHELSPSX-UHFFFAOYSA-N -1 0 377.853 3.649 50 10 GHCARM CC(C)c1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1 ZINC000005653000 570680378 /nfs/dbraw/zinc/68/03/78/570680378.db2.gz KKZUJEVEEMNEDS-LBPRGKRZSA-N -1 0 392.546 3.896 50 10 GHCARM COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1 ZINC000004356733 570696475 /nfs/dbraw/zinc/69/64/75/570696475.db2.gz UTODQUACKLHOJH-NVNXTCNLSA-N -1 0 387.438 3.505 50 10 GHCARM CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1O ZINC000013343114 570753629 /nfs/dbraw/zinc/75/36/29/570753629.db2.gz ZIOOTNADEVWEKM-PTNGSMBKSA-N -1 0 395.502 3.637 50 10 GHCARM O=C([O-])CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(F)c1)N2 ZINC000103020655 570873576 /nfs/dbraw/zinc/87/35/76/570873576.db2.gz DNWUTOQEGRTHMD-LZJOCLMNSA-N -1 0 380.419 3.857 50 10 GHCARM Cc1oc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(=O)c1Oc1ccccc1 ZINC000004025669 570904008 /nfs/dbraw/zinc/90/40/08/570904008.db2.gz HCLIJTCRAIZVIZ-QGZVFWFLSA-N -1 0 395.411 3.648 50 10 biogenic GHCARM CCOc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)[N-]C2=S)cc1 ZINC000002878825 847733072 /nfs/dbraw/zinc/73/30/72/847733072.db2.gz RNAGMMKYUYYYFQ-LFIBNONCSA-N -1 0 386.860 3.570 50 10 GHCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc12 ZINC000012420209 883159722 /nfs/dbraw/zinc/15/97/22/883159722.db2.gz MSDQEWXQAWPSIE-AQTBWJFISA-N -1 0 388.448 3.680 50 10 GHCARM CCCCCCNC=C1C(=O)[N-]C(=S)N(c2cccc3ccccc32)C1=O ZINC000001758529 206391387 /nfs/dbraw/zinc/39/13/87/206391387.db2.gz FKOKVOSXLMGERG-SAPNQHFASA-N -1 0 381.501 3.641 50 10 GHCARM COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002089278 206398214 /nfs/dbraw/zinc/39/82/14/206398214.db2.gz YKLBUULVPFDCDT-BOPFTXTBSA-N -1 0 397.814 3.915 50 10 GHCARM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000014011097 207008505 /nfs/dbraw/zinc/00/85/05/207008505.db2.gz FSJQEJIEKOUJCC-ZROIWOOFSA-N -1 0 391.210 3.668 50 10 GHCARM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000014011121 207007696 /nfs/dbraw/zinc/00/76/96/207007696.db2.gz SRQIODOTYGGWNA-YBEGLDIGSA-N -1 0 384.819 3.632 50 10 GHCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2ccc(C)c(C)c2)c1=O ZINC000096793232 208324025 /nfs/dbraw/zinc/32/40/25/208324025.db2.gz SVYUZGYWSVPZNO-GZTJUZNOSA-N -1 0 380.404 3.939 50 10 GHCARM CCN1C(=O)/C(=C\c2ccc(-c3ccc([O-])c([N+](=O)[O-])c3)o2)SC1=S ZINC000098086321 208367287 /nfs/dbraw/zinc/36/72/87/208367287.db2.gz VMMJQLGTHNLJIZ-RIYZIHGNSA-N -1 0 376.415 3.782 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1 ZINC000100391848 136189101 /nfs/dbraw/zinc/18/91/01/136189101.db2.gz ZKWUADZMZJNPSZ-XFXZXTDPSA-N -1 0 376.199 3.572 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=CC=Cc1ccccc1 ZINC000008971680 136195846 /nfs/dbraw/zinc/19/58/46/136195846.db2.gz NLVMTXFZKYDHPR-QSJINSDNSA-N -1 0 397.228 3.876 50 10 GHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Br)C2=O)c1 ZINC000001214928 136196234 /nfs/dbraw/zinc/19/62/34/136196234.db2.gz PNDRXYBXQGFGIG-XNTDXEJSSA-N -1 0 399.244 3.732 50 10 GHCARM COc1cc(C)c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1C(C)C ZINC000002833071 570305719 /nfs/dbraw/zinc/30/57/19/570305719.db2.gz HMIQJJBRTYEUAK-OQLLNIDSSA-N -1 0 379.503 3.803 50 10 GHCARM Cc1ccc(C)n1-c1ccc(C(=O)OCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000005174320 570659883 /nfs/dbraw/zinc/65/98/83/570659883.db2.gz QROFUFROOUTCAT-UHFFFAOYSA-N -1 0 379.441 3.749 50 10 GHCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)ccc1Cl ZINC000036622629 570766792 /nfs/dbraw/zinc/76/67/92/570766792.db2.gz FAYWWNCPTIDCBX-UHFFFAOYSA-N -1 0 385.601 3.646 50 10 GHCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000005727310 570904635 /nfs/dbraw/zinc/90/46/35/570904635.db2.gz YWSCJWUUMPSIIH-NWDGAFQWSA-N -1 0 379.478 3.632 50 10 GHCARM Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000001249219 570950300 /nfs/dbraw/zinc/95/03/00/570950300.db2.gz RPAGJXAPAFJSHC-GXDHUFHOSA-N -1 0 379.416 3.989 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000002287094 854923158 /nfs/dbraw/zinc/92/31/58/854923158.db2.gz BINVLJAEFMLKBL-MBXCTOFRSA-N -1 0 386.329 3.928 50 10 GHCARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CCN3CCCC)C1=O ZINC000009111246 856802721 /nfs/dbraw/zinc/80/27/21/856802721.db2.gz QSUQSTYGEIZELC-KNTRCKAVSA-N -1 0 397.519 3.891 50 10 GHCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000015723338 919382337 /nfs/dbraw/zinc/38/23/37/919382337.db2.gz XTVGPQCYOHVBHL-SXGWCWSVSA-N -1 0 385.217 3.953 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)s2)SC1=S ZINC000014177079 206246725 /nfs/dbraw/zinc/24/67/25/206246725.db2.gz KKJAWNQPCBISRG-NTUHNPAUSA-N -1 0 379.459 3.840 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cccs1 ZINC000000657179 206312958 /nfs/dbraw/zinc/31/29/58/206312958.db2.gz YTMGVGLVYQSCEK-JXMROGBWSA-N -1 0 383.281 3.886 50 10 GHCARM Cc1c(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1C ZINC000000654844 206313233 /nfs/dbraw/zinc/31/32/33/206313233.db2.gz QPMJXHFLSUQFFN-BOPFTXTBSA-N -1 0 393.830 3.807 50 10 GHCARM COc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1 ZINC000032707955 207401663 /nfs/dbraw/zinc/40/16/63/207401663.db2.gz NGBAEILFTMJJAC-OVCLIPMQSA-N -1 0 387.438 3.505 50 10 GHCARM Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001786860 208499223 /nfs/dbraw/zinc/49/92/23/208499223.db2.gz CBTHGXMOCMDMFR-UHFFFAOYSA-N -1 0 391.456 3.756 50 10 GHCARM CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(CC)CC)o2)C(=O)[N-]C1=S ZINC000001186439 136196127 /nfs/dbraw/zinc/19/61/27/136196127.db2.gz ZFNCLGWFRNJEBG-DTQAZKPQSA-N -1 0 397.500 3.520 50 10 GHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)o1 ZINC000001198331 136196254 /nfs/dbraw/zinc/19/62/54/136196254.db2.gz SYYBXSNDBWGPQN-YRNVUSSQSA-N -1 0 381.240 3.726 50 10 GHCARM O=C1N[C@H](c2cc(Br)cc(Br)c2[O-])Nc2ccccc21 ZINC000049537144 570268470 /nfs/dbraw/zinc/26/84/70/570268470.db2.gz UZUICZNQVRKNHR-CYBMUJFWSA-N -1 0 398.054 3.771 50 10 GHCARM Cc1cc2oc(=O)cc(C)c2c([O-])c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1 ZINC000012296424 570293917 /nfs/dbraw/zinc/29/39/17/570293917.db2.gz LIURVZZZOFUGCO-INIZCTEOSA-N -1 0 377.444 3.620 50 10 biogenic GHCARM COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1[O-] ZINC000013548738 570757486 /nfs/dbraw/zinc/75/74/86/570757486.db2.gz VJMQTQRNBZUCRH-RIYZIHGNSA-N -1 0 388.426 3.715 50 10 GHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013773725 570788890 /nfs/dbraw/zinc/78/88/90/570788890.db2.gz WELUUSWIZNGHRN-YVLHZVERSA-N -1 0 377.375 3.820 50 10 GHCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000102653652 570855946 /nfs/dbraw/zinc/85/59/46/570855946.db2.gz NCMUPEKWOMUHJR-YRNVUSSQSA-N -1 0 389.202 3.573 50 10 GHCARM O=C([O-])CNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000226089988 861406693 /nfs/dbraw/zinc/40/66/93/861406693.db2.gz LOWRMFOZCMJCQZ-CKNLXJGOSA-N -1 0 382.847 3.981 50 10 GHCARM O=C(OCc1ccccc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000003220241 862260832 /nfs/dbraw/zinc/26/08/32/862260832.db2.gz MOOSGGCYTIBLFY-UHFFFAOYSA-N -1 0 389.454 3.612 50 10 GHCARM Cc1oc2c(ccc([O-])c2CN2CCN(C)CC2)c(=O)c1-c1ccc(Cl)cc1 ZINC000020439627 206296077 /nfs/dbraw/zinc/29/60/77/206296077.db2.gz UXLJUUYMZSLDDZ-UHFFFAOYSA-N -1 0 398.890 3.875 50 10 GHCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)CC1 ZINC000020395325 206296282 /nfs/dbraw/zinc/29/62/82/206296282.db2.gz JTLYLIWWPNIZKT-UHFFFAOYSA-N -1 0 378.472 3.612 50 10 biogenic GHCARM O=C([O-])CSc1cc(NS(=O)(=O)c2ccccc2)c2ccccc2c1O ZINC000000645676 206312195 /nfs/dbraw/zinc/31/21/95/206312195.db2.gz WOOMMHUHOYPAOS-UHFFFAOYSA-N -1 0 389.454 3.523 50 10 GHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC(C)C)cc3)C2=O)c1 ZINC000001214274 206368492 /nfs/dbraw/zinc/36/84/92/206368492.db2.gz QRODMFTYJGXFMP-XDHOZWIPSA-N -1 0 378.428 3.757 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1Cl ZINC000016662460 207076403 /nfs/dbraw/zinc/07/64/03/207076403.db2.gz RMRZBSUUEZCSMY-FMIVXFBMSA-N -1 0 376.199 3.572 50 10 GHCARM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000017299979 207087791 /nfs/dbraw/zinc/08/77/91/207087791.db2.gz OVVBIPWODFLCHE-QGOAFFKASA-N -1 0 378.428 3.643 50 10 GHCARM CCCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000027571750 207326902 /nfs/dbraw/zinc/32/69/02/207326902.db2.gz SWOBWAGZEWEABU-IBGZPJMESA-N -1 0 395.415 3.863 50 10 GHCARM Cc1ccc(O)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)/C=C\C(=O)[O-])c1 ZINC000080316250 208077630 /nfs/dbraw/zinc/07/76/30/208077630.db2.gz GCDGNYGEFLSAQN-XZVRFQMRSA-N -1 0 384.819 3.673 50 10 GHCARM COc1cc(C)c(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)c(C)c1 ZINC000095349930 208156927 /nfs/dbraw/zinc/15/69/27/208156927.db2.gz FTJPALUJPDWRJD-UHFFFAOYSA-N -1 0 375.475 3.631 50 10 GHCARM COc1cc(NC(C)=C2C(C)=NN(c3ccc(F)cc3)C2=O)cc(OC)c1OC ZINC000100423037 208375399 /nfs/dbraw/zinc/37/53/99/208375399.db2.gz OHARCYGBIXDPQD-UNOMPAQXSA-N -1 0 399.422 3.960 50 10 GHCARM Cc1ccc(N2C(=O)C(=CNc3ccc4c(c3)CCC4)C(=O)[N-]C2=S)cc1C ZINC000101072488 136196284 /nfs/dbraw/zinc/19/62/84/136196284.db2.gz YENZZDDMEZBLEB-UNOMPAQXSA-N -1 0 391.496 3.536 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000002250517 570280440 /nfs/dbraw/zinc/28/04/40/570280440.db2.gz WXLHNZZHYWXAIN-LDADJPATSA-N -1 0 381.391 3.988 50 10 GHCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000100106641 570290157 /nfs/dbraw/zinc/29/01/57/570290157.db2.gz LDXQJMVOLDCGAV-NTEUORMPSA-N -1 0 390.226 3.881 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000002892788 570317372 /nfs/dbraw/zinc/31/73/72/570317372.db2.gz VKGZTEVOMHJBMV-ZROIWOOFSA-N -1 0 392.267 3.737 50 10 GHCARM O=C([O-])COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1 ZINC000003000989 570325436 /nfs/dbraw/zinc/32/54/36/570325436.db2.gz FZANMGCHCNTAJS-DHDCSXOGSA-N -1 0 389.429 3.695 50 10 GHCARM CN(C)c1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCCC(=O)[O-])cc1 ZINC000004869417 570351721 /nfs/dbraw/zinc/35/17/21/570351721.db2.gz CGFOHMURZJRDKX-FQEVSTJZSA-N -1 0 379.460 3.685 50 10 GHCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000005034470 570402344 /nfs/dbraw/zinc/40/23/44/570402344.db2.gz RVSGHJRMKCMCIP-CPOQMQJTSA-N -1 0 391.471 3.933 50 10 GHCARM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O ZINC000033343653 570644970 /nfs/dbraw/zinc/64/49/70/570644970.db2.gz PYNCSKTWUGLVCT-PDGQHHTCSA-N -1 0 378.815 3.963 50 10 GHCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)s1 ZINC000013773606 570788977 /nfs/dbraw/zinc/78/89/77/570788977.db2.gz BMFVJUHCULECMA-JYRVWZFOSA-N -1 0 380.347 3.742 50 10 GHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000013775398 570789444 /nfs/dbraw/zinc/78/94/44/570789444.db2.gz LSOQJRLDRFPCRI-PDGQHHTCSA-N -1 0 391.402 3.862 50 10 GHCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000102570493 570852446 /nfs/dbraw/zinc/85/24/46/570852446.db2.gz FSMXTXYEMXAQIB-YRNVUSSQSA-N -1 0 389.202 3.573 50 10 GHCARM CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000013343513 837582568 /nfs/dbraw/zinc/58/25/68/837582568.db2.gz VRQDQAOHZIBDSQ-WJDWOHSUSA-N -1 0 387.482 3.914 50 10 GHCARM Cc1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000005614043 887391969 /nfs/dbraw/zinc/39/19/69/887391969.db2.gz JEOSHHADGPASFG-SFQUDFHCSA-N -1 0 389.367 3.625 50 10 GHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)s1 ZINC000000686749 206316985 /nfs/dbraw/zinc/31/69/85/206316985.db2.gz HUOYRIMDXKBRKL-MDWZMJQESA-N -1 0 376.890 3.850 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)c1 ZINC000001179606 206363741 /nfs/dbraw/zinc/36/37/41/206363741.db2.gz SHAAQEGZPYSJEA-WOJGMQOQSA-N -1 0 384.395 3.959 50 10 GHCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001200809 206366860 /nfs/dbraw/zinc/36/68/60/206366860.db2.gz CBVLBJOCCWBENM-CPNJWEJPSA-N -1 0 378.428 3.875 50 10 GHCARM O=C1[N-]N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000001216427 206367627 /nfs/dbraw/zinc/36/76/27/206367627.db2.gz KSEWVAJJCIRFDQ-GHXNOFRVSA-N -1 0 395.615 3.703 50 10 GHCARM CC(C)OC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000001217717 206369510 /nfs/dbraw/zinc/36/95/10/206369510.db2.gz SKOBCJANFQIDRJ-STQMWFEESA-N -1 0 391.489 3.798 50 10 GHCARM CCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)ccc21 ZINC000001846621 206393480 /nfs/dbraw/zinc/39/34/80/206393480.db2.gz KWSJOKWOLFZBDQ-ATVHPVEESA-N -1 0 379.391 3.715 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000005020621 206583422 /nfs/dbraw/zinc/58/34/22/206583422.db2.gz UFWMPQNXIXEGJU-JHJVBQTASA-N -1 0 391.489 3.655 50 10 GHCARM CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000014009211 207007644 /nfs/dbraw/zinc/00/76/44/207007644.db2.gz UNGCOZQVRKBFPA-AQTBWJFISA-N -1 0 377.396 3.652 50 10 GHCARM CCCCS(CCCC)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000016662493 207076118 /nfs/dbraw/zinc/07/61/18/207076118.db2.gz IELJMNQRRRMVFJ-UHFFFAOYSA-N -1 0 382.913 3.964 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000017056775 207082573 /nfs/dbraw/zinc/08/25/73/207082573.db2.gz OCWNCUYFVLYVNV-XNTDXEJSSA-N -1 0 380.400 3.827 50 10 GHCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000000725518 570306706 /nfs/dbraw/zinc/30/67/06/570306706.db2.gz OZTRYSPPKYVFKP-RIYZIHGNSA-N -1 0 377.625 3.564 50 10 GHCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(OC)c(Cl)c2)C1=O ZINC000004471868 570376235 /nfs/dbraw/zinc/37/62/35/570376235.db2.gz JRBOOFMWWMZHCU-UVTDQMKNSA-N -1 0 384.819 3.577 50 10 GHCARM COCCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1C ZINC000009013360 570546361 /nfs/dbraw/zinc/54/63/61/570546361.db2.gz CHOSKRBPZYPNAV-LDADJPATSA-N -1 0 397.500 3.731 50 10 GHCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000004545047 570856514 /nfs/dbraw/zinc/85/65/14/570856514.db2.gz REOJGFICRHLHSD-KGHZBTQCSA-N -1 0 389.337 3.654 50 10 GHCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000015658575 570901069 /nfs/dbraw/zinc/90/10/69/570901069.db2.gz VUQMMYJQLFDHKR-YBEGLDIGSA-N -1 0 385.217 3.953 50 10 GHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000004046433 570925010 /nfs/dbraw/zinc/92/50/10/570925010.db2.gz BTFFHRPQBYDBKY-WOJGMQOQSA-N -1 0 399.878 3.656 50 10 GHCARM Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c1 ZINC000003363428 901146660 /nfs/dbraw/zinc/14/66/60/901146660.db2.gz VBEJPQIOOSEMCS-XMHGGMMESA-N -1 0 385.423 3.761 50 10 GHCARM COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCCOC2)c1=O ZINC000032501402 206303922 /nfs/dbraw/zinc/30/39/22/206303922.db2.gz SJAWZPGSVGHGGO-UHFFFAOYSA-N -1 0 381.428 3.662 50 10 GHCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)c2ccccc12 ZINC000001066757 206348992 /nfs/dbraw/zinc/34/89/92/206348992.db2.gz SCPJKZYVPFLXRO-QGOAFFKASA-N -1 0 386.407 3.823 50 10 GHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000001095359 206352068 /nfs/dbraw/zinc/35/20/68/206352068.db2.gz NPVMAJPOEZXPGG-JXMROGBWSA-N -1 0 381.240 3.726 50 10 GHCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000001206621 206366597 /nfs/dbraw/zinc/36/65/97/206366597.db2.gz SXXFQZCGHMWNGW-ZHZULCJRSA-N -1 0 385.423 3.761 50 10 GHCARM Cc1ccc(O)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)/C=C\C(=O)[O-])c1 ZINC000080316246 208076762 /nfs/dbraw/zinc/07/67/62/208076762.db2.gz GCDGNYGEFLSAQN-JJEJIETFSA-N -1 0 384.819 3.673 50 10 GHCARM COc1cc(NC(C)=C2C(C)=NN(c3ccccc3)C2=O)cc(OC)c1OC ZINC000100423028 208377434 /nfs/dbraw/zinc/37/74/34/208377434.db2.gz UMBNZCREXNSTMY-UYRXBGFRSA-N -1 0 381.432 3.821 50 10 GHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 ZINC000004182162 208538238 /nfs/dbraw/zinc/53/82/38/208538238.db2.gz QLZKGCFIIUJKMX-MHWRWJLKSA-N -1 0 383.835 3.910 50 10 GHCARM CCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1 ZINC000002969258 136196553 /nfs/dbraw/zinc/19/65/53/136196553.db2.gz AWYCNYSLLONIDF-NTCAYCPXSA-N -1 0 384.819 3.795 50 10 GHCARM CC(=O)Nc1cccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000100069900 570253002 /nfs/dbraw/zinc/25/30/02/570253002.db2.gz BSPUZAZSCCHEJY-MHWRWJLKSA-N -1 0 398.806 3.718 50 10 GHCARM O=C([O-])c1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000004819914 570408587 /nfs/dbraw/zinc/40/85/87/570408587.db2.gz LESMTMGPHJCQFR-NTEUORMPSA-N -1 0 386.410 3.699 50 10 GHCARM Cc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000001786553 570585823 /nfs/dbraw/zinc/58/58/23/570585823.db2.gz MGJOLBLDGBXFNU-QRYYFKOISA-N -1 0 383.494 3.892 50 10 GHCARM COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)c(OC)c1 ZINC000012390576 570643032 /nfs/dbraw/zinc/64/30/32/570643032.db2.gz RYWHQQNPZUYHIE-HNNXBMFYSA-N -1 0 394.427 3.571 50 10 GHCARM Cc1cccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000006898280 570694941 /nfs/dbraw/zinc/69/49/41/570694941.db2.gz JJZSWDZHSAZVDN-BOPFTXTBSA-N -1 0 375.453 3.729 50 10 GHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000001200421 570713757 /nfs/dbraw/zinc/71/37/57/570713757.db2.gz YFMUTBKOQXAFGM-KGENOOAVSA-N -1 0 388.398 3.866 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccccc2Cl)o1 ZINC000013661273 570767779 /nfs/dbraw/zinc/76/77/79/570767779.db2.gz ZOSROTOQIPMLSC-GDNBJRDFSA-N -1 0 396.786 3.855 50 10 GHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000101346798 570821009 /nfs/dbraw/zinc/82/10/09/570821009.db2.gz VAKGBAJIHLXWCS-XNTDXEJSSA-N -1 0 381.348 3.530 50 10 GHCARM O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1O ZINC000004536613 570847180 /nfs/dbraw/zinc/84/71/80/570847180.db2.gz JPKJEDAPALOKGZ-RVDMUPIBSA-N -1 0 388.470 3.605 50 10 GHCARM O=C([O-])COc1cccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000003768173 570883301 /nfs/dbraw/zinc/88/33/01/570883301.db2.gz XVDTWXMTENSYSD-XNTDXEJSSA-N -1 0 377.487 3.684 50 10 GHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccccc43)C2=O)c1 ZINC000008994469 856694967 /nfs/dbraw/zinc/69/49/67/856694967.db2.gz AIGFYEPWDRGOOW-BOPFTXTBSA-N -1 0 375.384 3.992 50 10 GHCARM CCOc1ccc(-c2[nH]nc3nc(-c4ccc(O)c(O)c4)cc(C(=O)[O-])c32)cc1 ZINC000009597479 857248854 /nfs/dbraw/zinc/24/88/54/857248854.db2.gz PVRIOYQAHWVTTN-UHFFFAOYSA-N -1 0 391.383 3.800 50 10 GHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000001225714 918544649 /nfs/dbraw/zinc/54/46/49/918544649.db2.gz TYHIJQRUCOOSRI-NBVRZTHBSA-N -1 0 377.444 3.508 50 10 GHCARM CCN1C(=O)[N-]C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O ZINC000000665128 206314451 /nfs/dbraw/zinc/31/44/51/206314451.db2.gz YCOCDCFOQOHGOO-XYOKQWHBSA-N -1 0 379.199 3.735 50 10 GHCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\c1cccc2ccccc12 ZINC000001070393 206348288 /nfs/dbraw/zinc/34/82/88/206348288.db2.gz SOOHHFKPYUPHAX-ZHZULCJRSA-N -1 0 388.398 3.683 50 10 GHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])C1=O ZINC000001192557 206365314 /nfs/dbraw/zinc/36/53/14/206365314.db2.gz RVXUWRSMXZKHEE-UJHPFZFGSA-N -1 0 377.356 3.966 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S ZINC000001211327 206367679 /nfs/dbraw/zinc/36/76/79/206367679.db2.gz FHIYHGBICRFANO-FLIBITNWSA-N -1 0 386.292 3.515 50 10 GHCARM COc1cccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccccc2)c1 ZINC000005000386 206582666 /nfs/dbraw/zinc/58/26/66/206582666.db2.gz FTYDJCLEAIJFAY-UHFFFAOYSA-N -1 0 378.428 3.820 50 10 GHCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000017299985 207088649 /nfs/dbraw/zinc/08/86/49/207088649.db2.gz NYIVNNBOJCGRQK-DEDYPNTBSA-N -1 0 391.471 3.882 50 10 GHCARM Cc1nc2c(C(=O)NC3CCC(C)CC3)c[n-]n2c(=O)c1Cc1ccccc1F ZINC000020136924 207178480 /nfs/dbraw/zinc/17/84/80/207178480.db2.gz ICWZANDCTBPDDD-UHFFFAOYSA-N -1 0 396.466 3.782 50 10 GHCARM CC1=CN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1 ZINC000020325215 207188439 /nfs/dbraw/zinc/18/84/39/207188439.db2.gz OUJLNTLCPMNTPV-CLFJUMGRSA-N -1 0 379.397 3.812 50 10 GHCARM O=S(=O)(Nc1c(F)c(F)c([O-])c(F)c1F)c1ccc2c(c1)CCCC2 ZINC000095426628 208181021 /nfs/dbraw/zinc/18/10/21/208181021.db2.gz XMMIZMAIGVQFBS-UHFFFAOYSA-N -1 0 375.343 3.628 50 10 GHCARM Cc1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O ZINC000017044923 221375691 /nfs/dbraw/zinc/37/56/91/221375691.db2.gz ZUEBZDGNHIXBJM-LDADJPATSA-N -1 0 391.402 3.524 50 10 GHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000006133312 570276234 /nfs/dbraw/zinc/27/62/34/570276234.db2.gz YXNAFKSTVBIXPB-PCRWRXJSSA-N -1 0 375.496 3.645 50 10 GHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000005032407 570401347 /nfs/dbraw/zinc/40/13/47/570401347.db2.gz MUFFOAIRBWYSLL-JNNKLVPLSA-N -1 0 377.418 3.760 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000005717926 570453047 /nfs/dbraw/zinc/45/30/47/570453047.db2.gz KNTLMNCJNFJXAY-JHJVBQTASA-N -1 0 393.505 3.879 50 10 GHCARM CCn1cc(/C=C2\C(=O)[N-]C(=O)N([C@@H](C)c3ccccc3)C2=O)c2ccccc21 ZINC000005478040 570608159 /nfs/dbraw/zinc/60/81/59/570608159.db2.gz SDOHFGKMYDTTDO-SJPXOZHESA-N -1 0 387.439 3.884 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000013660039 570767791 /nfs/dbraw/zinc/76/77/91/570767791.db2.gz GMMISOORLXTWLH-YBEGLDIGSA-N -1 0 396.786 3.855 50 10 GHCARM Cc1cccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c1 ZINC000004747740 570959544 /nfs/dbraw/zinc/95/95/44/570959544.db2.gz BUDXHUZGHISUJY-XMHGGMMESA-N -1 0 377.444 3.580 50 10 GHCARM COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc(OC)c1 ZINC000006627202 917302908 /nfs/dbraw/zinc/30/29/08/917302908.db2.gz YGNUVHLICPPYNH-GDNBJRDFSA-N -1 0 395.502 3.550 50 10 GHCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c2ccccc12 ZINC000015837294 1021291393 /nfs/dbraw/zinc/29/13/93/1021291393.db2.gz RKANHWWVUGDTAJ-AQTBWJFISA-N -1 0 378.428 3.643 50 10 GHCARM CC[C@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000004026506 206293436 /nfs/dbraw/zinc/29/34/36/206293436.db2.gz DWLSLOKNTKMQTC-RNODOKPDSA-N -1 0 381.428 3.755 50 10 biogenic GHCARM Cc1c(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc2n1C ZINC000001214597 206368062 /nfs/dbraw/zinc/36/80/62/206368062.db2.gz KEYSESGTZPYXQJ-XDHOZWIPSA-N -1 0 387.439 3.770 50 10 GHCARM COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002648282 206425305 /nfs/dbraw/zinc/42/53/05/206425305.db2.gz FMRHWUYWMASAFV-UNOMPAQXSA-N -1 0 391.423 3.566 50 10 GHCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100041139 208371503 /nfs/dbraw/zinc/37/15/03/208371503.db2.gz ORQSHZOYUXLXSX-YBEGLDIGSA-N -1 0 395.375 3.838 50 10 GHCARM CCOc1cccc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000001172495 136196055 /nfs/dbraw/zinc/19/60/55/136196055.db2.gz KQODWKRQEJYFAL-MHWRWJLKSA-N -1 0 381.344 3.500 50 10 GHCARM COc1ccccc1/C=C1/SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000001452289 570226726 /nfs/dbraw/zinc/22/67/26/570226726.db2.gz LAVUPXNADVCYTE-SFKKXYGYSA-N -1 0 385.466 3.722 50 10 GHCARM O=C([O-])c1cccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)c1 ZINC000005772830 570345320 /nfs/dbraw/zinc/34/53/20/570345320.db2.gz JXSLJUKEBFRSHR-UHFFFAOYSA-N -1 0 390.347 3.827 50 10 GHCARM C[C@@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2coc3ccccc3c2=O)C1=O ZINC000032975769 570570045 /nfs/dbraw/zinc/57/00/45/570570045.db2.gz HFCIWXHMGUJBFK-MFVBVHDHSA-N -1 0 388.379 3.856 50 10 GHCARM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccc(C)c(Cl)c2)C1=O ZINC000012462288 570670723 /nfs/dbraw/zinc/67/07/23/570670723.db2.gz ILDFNNWVDDQBMD-ZSOIEALJSA-N -1 0 377.227 3.772 50 10 GHCARM COc1ccccc1/C=C1\SC(=S)N(c2ccc(O)c(C(=O)[O-])c2)C1=O ZINC000004356815 570696448 /nfs/dbraw/zinc/69/64/48/570696448.db2.gz SUCFMCRATTUKDS-NVNXTCNLSA-N -1 0 387.438 3.505 50 10 GHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000013683567 570773980 /nfs/dbraw/zinc/77/39/80/570773980.db2.gz KJLMXSPHPDUEJQ-QGZVFWFLSA-N -1 0 391.471 3.929 50 10 GHCARM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000004747737 570959412 /nfs/dbraw/zinc/95/94/12/570959412.db2.gz SXXIWUAIRYIFME-XMHGGMMESA-N -1 0 377.444 3.580 50 10 GHCARM C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)ccc2O1 ZINC000002342310 855253083 /nfs/dbraw/zinc/25/30/83/855253083.db2.gz FLHPZLAWEWJMOP-JASJWYONSA-N -1 0 391.514 3.856 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1 ZINC000007907559 859958129 /nfs/dbraw/zinc/95/81/29/859958129.db2.gz ASFIZTONCTXEEV-CXUHLZMHSA-N -1 0 393.449 3.734 50 10 GHCARM COc1cccc(N2C(=O)C(=Cc3c[nH]c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000038170716 910888749 /nfs/dbraw/zinc/88/87/49/910888749.db2.gz WNVGYIUXMJWVOH-SXGWCWSVSA-N -1 0 377.425 3.848 50 10 GHCARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Cl)cc(Cl)c2[O-])[NH2+]1 ZINC000000754318 918039349 /nfs/dbraw/zinc/03/93/49/918039349.db2.gz AKQJKFSWUKPUMJ-ZBFHGGJFSA-N -1 0 377.227 3.869 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C\C2=Cc3cc(Cl)ccc3OC2)SC1=S ZINC000011291123 206261875 /nfs/dbraw/zinc/26/18/75/206261875.db2.gz TXLNBGJCFTUBLR-VGOFMYFVSA-N -1 0 395.889 3.725 50 10 GHCARM CC(C)C1=NN2C(=NC(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C2=N)S1 ZINC000001185250 206365518 /nfs/dbraw/zinc/36/55/18/206365518.db2.gz VHGZNRZYVOZKDT-OVGWVUCOSA-N -1 0 383.260 3.974 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 ZINC000001192638 206365870 /nfs/dbraw/zinc/36/58/70/206365870.db2.gz QZANPHGZCVRPOS-AQTBWJFISA-N -1 0 395.846 3.607 50 10 GHCARM COc1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000001236396 206370093 /nfs/dbraw/zinc/37/00/93/206370093.db2.gz ICUTYELDIHZELF-QRYYFKOISA-N -1 0 399.493 3.592 50 10 GHCARM Cn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000017138224 207086763 /nfs/dbraw/zinc/08/67/63/207086763.db2.gz BZNHVPKYKRIRPH-SXGWCWSVSA-N -1 0 379.416 3.989 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000000755186 527048607 /nfs/dbraw/zinc/04/86/07/527048607.db2.gz NLVMTXFZKYDHPR-LHQXNBGVSA-N -1 0 397.228 3.672 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000006138849 570276482 /nfs/dbraw/zinc/27/64/82/570276482.db2.gz HENJMTNIFXFPOZ-OQLLNIDSSA-N -1 0 390.226 3.568 50 10 GHCARM CC(=O)C(=C(C)O)c1c2occ(C(=O)c3ccccc3)c2c(O)c([O-])c1Cl ZINC000004038704 570355207 /nfs/dbraw/zinc/35/52/07/570355207.db2.gz IIXFNJQVQREYEM-UHFFFAOYSA-N -1 0 386.787 3.990 50 10 aggregator GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000005476641 570441217 /nfs/dbraw/zinc/44/12/17/570441217.db2.gz RSSRWUKYZJVTQJ-UPJWGTAASA-N -1 0 393.505 3.879 50 10 GHCARM O=C1c2c([O-])ccc([N+](=O)[O-])c2C(=O)c2c(Nc3ccccc3)ccc(O)c21 ZINC000038611779 570580879 /nfs/dbraw/zinc/58/08/79/570580879.db2.gz DYALWCKAJBVSBZ-UHFFFAOYSA-N -1 0 376.324 3.525 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813989 570618070 /nfs/dbraw/zinc/61/80/70/570618070.db2.gz VYGNMMQMSRFKFX-KTKRTIGZSA-N -1 0 382.832 3.888 50 10 GHCARM COc1ccccc1NC(=O)Cc1noc(-c2sc3ccccc3c2[O-])n1 ZINC000012978222 570735516 /nfs/dbraw/zinc/73/55/16/570735516.db2.gz MYDSHVYZWZXWQV-UHFFFAOYSA-N -1 0 381.413 3.847 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000013773522 570789040 /nfs/dbraw/zinc/78/90/40/570789040.db2.gz LOQZCFPUBMWEFZ-QCWVPXHQSA-N -1 0 395.346 3.792 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000001211326 570800470 /nfs/dbraw/zinc/80/04/70/570800470.db2.gz FHIYHGBICRFANO-DHZHZOJOSA-N -1 0 386.292 3.515 50 10 GHCARM CC(C)(C)N1C(=O)[N-]C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O ZINC000017028290 570937654 /nfs/dbraw/zinc/93/76/54/570937654.db2.gz VSORXOGOTUTJNW-QGOAFFKASA-N -1 0 378.428 3.526 50 10 GHCARM O=C([O-])C[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000031776153 862684696 /nfs/dbraw/zinc/68/46/96/862684696.db2.gz ZBJMXVOFRVUGRG-CCAPLTMGSA-N -1 0 385.466 3.809 50 10 GHCARM CCOc1ccccc1Oc1coc2c(ccc([O-])c2CN2CCOCC2)c1=O ZINC000020439925 206296515 /nfs/dbraw/zinc/29/65/15/206296515.db2.gz ZPEAKAPIXAPYOF-UHFFFAOYSA-N -1 0 397.427 3.522 50 10 GHCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000000664577 206314924 /nfs/dbraw/zinc/31/49/24/206314924.db2.gz WGKGBVCPRDPGJV-SFQUDFHCSA-N -1 0 380.469 3.533 50 10 GHCARM CCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(c4ccccc4C)C3=O)ccc21 ZINC000001846479 206392937 /nfs/dbraw/zinc/39/29/37/206392937.db2.gz QIDIZASZTOKMGA-LGMDPLHJSA-N -1 0 375.428 3.884 50 10 GHCARM COc1cccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2cccs2)c1 ZINC000004784042 206555466 /nfs/dbraw/zinc/55/54/66/206555466.db2.gz RIPKZJBHPVJDFJ-UHFFFAOYSA-N -1 0 384.457 3.881 50 10 GHCARM CCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1OCC ZINC000013343466 206972722 /nfs/dbraw/zinc/97/27/22/206972722.db2.gz DTAZJCJWXBHMBP-PTNGSMBKSA-N -1 0 395.502 3.550 50 10 GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000001198325 136196169 /nfs/dbraw/zinc/19/61/69/136196169.db2.gz QSIGHVKPNYLGCC-RIYZIHGNSA-N -1 0 377.252 3.825 50 10 GHCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000005384526 570436813 /nfs/dbraw/zinc/43/68/13/570436813.db2.gz CISDISWKTQEFHP-YBEGLDIGSA-N -1 0 386.835 3.597 50 10 GHCARM Cc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c(C)c1 ZINC000005613734 570448903 /nfs/dbraw/zinc/44/89/03/570448903.db2.gz XHARJLCKDJNVIV-XNTDXEJSSA-N -1 0 383.835 3.531 50 10 GHCARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1 ZINC000007052467 570773661 /nfs/dbraw/zinc/77/36/61/570773661.db2.gz WNNUSONCQAPIPR-UHFFFAOYSA-N -1 0 376.459 3.628 50 10 GHCARM CC(=O)c1cccc(S(=O)(=O)[N-]c2nc3c(s2)COc2ccccc2-3)c1 ZINC000008036111 863017916 /nfs/dbraw/zinc/01/79/16/863017916.db2.gz VFQRQVHVHXNXCL-UHFFFAOYSA-N -1 0 386.454 3.706 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1OC ZINC000009332129 206321799 /nfs/dbraw/zinc/32/17/99/206321799.db2.gz LOFKCNDPUVIMFL-PTNGSMBKSA-N -1 0 396.399 3.528 50 10 GHCARM COC(=O)c1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(OC)cc1 ZINC000000920197 206333699 /nfs/dbraw/zinc/33/36/99/206333699.db2.gz RJQCKDKULHLQCY-UHFFFAOYSA-N -1 0 379.412 3.957 50 10 GHCARM CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000001217716 206369111 /nfs/dbraw/zinc/36/91/11/206369111.db2.gz SKOBCJANFQIDRJ-CHWSQXEVSA-N -1 0 391.489 3.798 50 10 GHCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000001220291 206369557 /nfs/dbraw/zinc/36/95/57/206369557.db2.gz DPEFZHRDHZVWGG-XNTDXEJSSA-N -1 0 384.819 3.714 50 10 GHCARM COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000013576379 206981250 /nfs/dbraw/zinc/98/12/50/206981250.db2.gz ORTUCGOLAGIHNM-CNOAHFENSA-N -1 0 389.454 3.630 50 10 GHCARM COc1cccc(-c2csc([N-]S(=O)(=O)c3cc(C)ccc3OC)n2)c1 ZINC000011615525 570236037 /nfs/dbraw/zinc/23/60/37/570236037.db2.gz GMYRTMJUFUVBDC-UHFFFAOYSA-N -1 0 390.486 3.937 50 10 GHCARM COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)cc1 ZINC000012296966 570293562 /nfs/dbraw/zinc/29/35/62/570293562.db2.gz PVHLEDPJIDIXJJ-INIZCTEOSA-N -1 0 378.428 3.871 50 10 biogenic GHCARM COc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000004180982 570361700 /nfs/dbraw/zinc/36/17/00/570361700.db2.gz DFQFHCADUQTFJB-BOPFTXTBSA-N -1 0 391.452 3.859 50 10 biogenic GHCARM CC[C@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000004680110 570392624 /nfs/dbraw/zinc/39/26/24/570392624.db2.gz XECZFUXVSQMNCW-VUODPORTSA-N -1 0 378.428 3.839 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1C ZINC000004704542 570395740 /nfs/dbraw/zinc/39/57/40/570395740.db2.gz LZQFSDUPASUUOZ-AQTBWJFISA-N -1 0 393.443 3.553 50 10 GHCARM COc1ccc(Sc2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1 ZINC000005028552 570399884 /nfs/dbraw/zinc/39/98/84/570399884.db2.gz BGHUONGYAOZKSV-QGOAFFKASA-N -1 0 392.436 3.901 50 10 GHCARM CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)OC)C1 ZINC000002747119 570513069 /nfs/dbraw/zinc/51/30/69/570513069.db2.gz MZPJOUHEFLOPGD-NSHDSACASA-N -1 0 381.494 3.879 50 10 GHCARM Cc1ccc(COc2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)cc2)cc1 ZINC000032694330 570513121 /nfs/dbraw/zinc/51/31/21/570513121.db2.gz QIVMWZQWLBIQQQ-LICLKQGHSA-N -1 0 399.493 3.860 50 10 GHCARM O=C([O-])c1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000033600455 570528052 /nfs/dbraw/zinc/52/80/52/570528052.db2.gz ZRTQMAYZOOIYEU-CHHVJCJISA-N -1 0 385.422 3.519 50 10 GHCARM Cc1cc(C)cc(N2C(=O)C(=Cc3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)c1 ZINC000008739930 570539089 /nfs/dbraw/zinc/53/90/89/570539089.db2.gz CXZLDKARDIAXAY-ATVHPVEESA-N -1 0 395.484 3.739 50 10 GHCARM COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)c(OC)c1 ZINC000012390577 570643020 /nfs/dbraw/zinc/64/30/20/570643020.db2.gz RYWHQQNPZUYHIE-OAHLLOKOSA-N -1 0 394.427 3.571 50 10 GHCARM CCOC(=O)c1c(NC(=O)CC2(C(=O)[O-])CCCC2)sc2c1CCCC2 ZINC000013255018 570751550 /nfs/dbraw/zinc/75/15/50/570751550.db2.gz KJUJXXCFQBNVMB-UHFFFAOYSA-N -1 0 379.478 3.777 50 10 GHCARM CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O ZINC000004458256 570785564 /nfs/dbraw/zinc/78/55/64/570785564.db2.gz KSPLLJHNASWJRT-FLIBITNWSA-N -1 0 379.199 3.735 50 10 GHCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000102653656 570855956 /nfs/dbraw/zinc/85/59/56/570855956.db2.gz NJBKCFLXUVWCAM-KPKJPENVSA-N -1 0 389.202 3.573 50 10 GHCARM CCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1OCC ZINC000003299733 901109542 /nfs/dbraw/zinc/10/95/42/901109542.db2.gz DTAZJCJWXBHMBP-RVDMUPIBSA-N -1 0 395.502 3.550 50 10 GHCARM CCCCOc1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1OC ZINC000002907205 209117371 /nfs/dbraw/zinc/11/73/71/209117371.db2.gz VCJQBWHTNCXORX-QGOAFFKASA-N -1 0 380.444 3.644 50 10 GHCARM Cc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000013130540 206968707 /nfs/dbraw/zinc/96/87/07/206968707.db2.gz MGJOLBLDGBXFNU-WISAJEAXSA-N -1 0 383.494 3.892 50 10 GHCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C(C)C ZINC000017193825 207086952 /nfs/dbraw/zinc/08/69/52/207086952.db2.gz PFRLERCKNRZMFC-LICLKQGHSA-N -1 0 385.464 3.656 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)s2)SC1=S ZINC000098003007 209018018 /nfs/dbraw/zinc/01/80/18/209018018.db2.gz KKJAWNQPCBISRG-QPEQYQDCSA-N -1 0 379.459 3.840 50 10 GHCARM Cc1ccc(Cn2cccc2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000008767611 221057147 /nfs/dbraw/zinc/05/71/47/221057147.db2.gz FXGKMRKANULZKV-XDHOZWIPSA-N -1 0 389.411 3.940 50 10 GHCARM Cc1cc2oc(=O)cc(-c3ccccc3)c2c([O-])c1C[NH2+][C@@H](C(=O)[O-])C(C)C ZINC000011866772 570441906 /nfs/dbraw/zinc/44/19/06/570441906.db2.gz ZKHLJRPPHRLYGR-HXUWFJFHSA-N -1 0 381.428 3.673 50 10 GHCARM COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000036011746 570509046 /nfs/dbraw/zinc/50/90/46/570509046.db2.gz UEIOGLYZGLKTDM-NTEUORMPSA-N -1 0 388.426 3.715 50 10 GHCARM COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC ZINC000012371166 570647733 /nfs/dbraw/zinc/64/77/33/570647733.db2.gz AUZDKRUYZBPJKH-PTNGSMBKSA-N -1 0 395.502 3.550 50 10 GHCARM CCOc1ccc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000008995264 856694603 /nfs/dbraw/zinc/69/46/03/856694603.db2.gz KUSRNXBGTZNERI-QGOAFFKASA-N -1 0 382.391 3.769 50 10 GHCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc(OC)c1O ZINC000217801816 894487234 /nfs/dbraw/zinc/48/72/34/894487234.db2.gz PPRJQZBGTXQWFM-UHFFFAOYSA-N -1 0 393.355 3.658 50 10 biogenic GHCARM COC(=O)c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1 ZINC000217901089 894649480 /nfs/dbraw/zinc/64/94/80/894649480.db2.gz ZTKMHMVKKVZWLE-UHFFFAOYSA-N -1 0 375.340 3.722 50 10 biogenic GHCARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1C ZINC000004980354 209554402 /nfs/dbraw/zinc/55/44/02/209554402.db2.gz UTLSNXSHWQOXQS-UHFFFAOYSA-N -1 0 377.462 3.806 50 10 GHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000002403527 209361303 /nfs/dbraw/zinc/36/13/03/209361303.db2.gz SLRSTMMKBGVBJK-FOWTUZBSSA-N -1 0 389.411 3.541 50 10 GHCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000001125658 570244118 /nfs/dbraw/zinc/24/41/18/570244118.db2.gz CHPIAIWTJKHKNE-FMIVXFBMSA-N -1 0 391.210 3.668 50 10 GHCARM COc1cc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)ccc1O ZINC000012296828 570293606 /nfs/dbraw/zinc/29/36/06/570293606.db2.gz UTKWCMYNMXQZJE-CQSZACIVSA-N -1 0 394.427 3.577 50 10 biogenic GHCARM O=[N+]([O-])c1ccccc1Sc1cc(O)c(O)c2ccc(S(=O)(=O)[O-])cc12 ZINC000003086345 570328034 /nfs/dbraw/zinc/32/80/34/570328034.db2.gz JLEJNMVVBKUDIQ-UHFFFAOYSA-N -1 0 393.398 3.557 50 10 GHCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])CCCC2 ZINC000004651477 570389695 /nfs/dbraw/zinc/38/96/95/570389695.db2.gz FNFQUUVVMMQRLD-KBPBESRZSA-N -1 0 391.489 3.799 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Br)o1 ZINC000008771686 570540920 /nfs/dbraw/zinc/54/09/20/570540920.db2.gz FQZZJCRPLDMOKP-YRNVUSSQSA-N -1 0 379.141 3.688 50 10 GHCARM O=C([O-])COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000001157506 570758595 /nfs/dbraw/zinc/75/85/95/570758595.db2.gz UPIDMWRRSQWOBA-YBEGLDIGSA-N -1 0 385.466 3.551 50 10 GHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000004456492 570785086 /nfs/dbraw/zinc/78/50/86/570785086.db2.gz GQZDYKMVXCYNQZ-LCYFTJDESA-N -1 0 391.210 3.668 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNc1cccc(Cl)c1 ZINC000005595957 842509578 /nfs/dbraw/zinc/50/95/78/842509578.db2.gz LZMQNKOGNKMFSK-XFXZXTDPSA-N -1 0 392.267 3.737 50 10 GHCARM CC(=O)c1sc([N-]S(=O)(=O)c2ccc(F)cc2)nc1-c1ccccc1 ZINC000009550360 857229370 /nfs/dbraw/zinc/22/93/70/857229370.db2.gz GOZNCZWZWMFDJX-UHFFFAOYSA-N -1 0 376.434 3.953 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C\c2csc(-c3ccccc3)n2)SC1=S ZINC000007787029 920126413 /nfs/dbraw/zinc/12/64/13/920126413.db2.gz ZUMYYHOVQIUKBY-UKTHLTGXSA-N -1 0 390.511 3.876 50 10 GHCARM CSc1nc2ccc([N-]S(=O)(=O)c3cccc4nsnc43)cc2s1 ZINC000019108050 210225584 /nfs/dbraw/zinc/22/55/84/210225584.db2.gz GJTGCHMORFPTRA-UHFFFAOYSA-N -1 0 394.528 3.824 50 10 GHCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000015722685 210163942 /nfs/dbraw/zinc/16/39/42/210163942.db2.gz CBVLBJOCCWBENM-UYRXBGFRSA-N -1 0 378.428 3.875 50 10 GHCARM COc1ccccc1/C=C1\SC(=S)N([C@@H](Cc2ccccc2)C(=O)[O-])C1=O ZINC000013576655 210068912 /nfs/dbraw/zinc/06/89/12/210068912.db2.gz URPNZLDYZKVEOI-ZKMNFCBKSA-N -1 0 399.493 3.592 50 10 GHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1 ZINC000001406624 209326454 /nfs/dbraw/zinc/32/64/54/209326454.db2.gz WXKKRFFTBPALMC-GZTJUZNOSA-N -1 0 375.384 3.694 50 10 GHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000001201319 209312691 /nfs/dbraw/zinc/31/26/91/209312691.db2.gz CEGXUDVZSOYDNV-CPNJWEJPSA-N -1 0 377.444 3.542 50 10 GHCARM Cn1cc(/C=C2/C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)c2ccccc21 ZINC000004817112 570235456 /nfs/dbraw/zinc/23/54/56/570235456.db2.gz DOEWZTFSLBZFSM-AQTBWJFISA-N -1 0 377.444 3.531 50 10 GHCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(O)cc1 ZINC000085877155 570263302 /nfs/dbraw/zinc/26/33/02/570263302.db2.gz HTOGRZFKGFYYFM-UHFFFAOYSA-N -1 0 391.383 3.989 50 10 biogenic GHCARM COc1ccc(N2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000033394489 570299819 /nfs/dbraw/zinc/29/98/19/570299819.db2.gz JERUUTUBUATBSB-DHDCSXOGSA-N -1 0 388.426 3.715 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000001756243 570421966 /nfs/dbraw/zinc/42/19/66/570421966.db2.gz VCALAHVGQVBMSG-QPEQYQDCSA-N -1 0 379.846 3.886 50 10 GHCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005127999 570422054 /nfs/dbraw/zinc/42/20/54/570422054.db2.gz XYNPIESOLSTTDZ-PDGQHHTCSA-N -1 0 383.879 3.956 50 10 GHCARM CC(C)OC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000005093925 570428961 /nfs/dbraw/zinc/42/89/61/570428961.db2.gz SKOBCJANFQIDRJ-OLZOCXBDSA-N -1 0 391.489 3.798 50 10 GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000239403306 570429789 /nfs/dbraw/zinc/42/97/89/570429789.db2.gz RSSRWUKYZJVTQJ-JHJVBQTASA-N -1 0 393.505 3.879 50 10 GHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533577 570435157 /nfs/dbraw/zinc/43/51/57/570435157.db2.gz XUMNCGLQAXIZJU-ZQHJZNAFSA-N -1 0 385.466 3.733 50 10 GHCARM CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000101469843 570826006 /nfs/dbraw/zinc/82/60/06/570826006.db2.gz REOJGFICRHLHSD-XGBCSFPLSA-N -1 0 389.337 3.654 50 10 GHCARM COc1ccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)C(=O)[N-]C2=S)cc1 ZINC000002873530 847657533 /nfs/dbraw/zinc/65/75/33/847657533.db2.gz HXJAIQJWBKQZLU-LDADJPATSA-N -1 0 380.469 3.650 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC)c4ccccc34)C2=O)cc1 ZINC000009111561 856802918 /nfs/dbraw/zinc/80/29/18/856802918.db2.gz WACFLZKAXHGLRZ-CPNJWEJPSA-N -1 0 387.439 3.890 50 10 GHCARM Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)C(=Cc2cccc([N+](=O)[O-])c2)S1 ZINC000020265130 860529737 /nfs/dbraw/zinc/52/97/37/860529737.db2.gz TWCMQDRVQNHNBI-NVNXTCNLSA-N -1 0 383.385 3.684 50 10 GHCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000008994683 879321701 /nfs/dbraw/zinc/32/17/01/879321701.db2.gz SROBZTHPSXUDJE-GZTJUZNOSA-N -1 0 377.375 3.852 50 10 GHCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O ZINC000001147318 918465259 /nfs/dbraw/zinc/46/52/59/918465259.db2.gz IAPKMAAREITIMS-MHWRWJLKSA-N -1 0 395.871 3.961 50 10 GHCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc12 ZINC000015659259 919381108 /nfs/dbraw/zinc/38/11/08/919381108.db2.gz KJGCKKVUNYUHQO-UYRXBGFRSA-N -1 0 386.407 3.823 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000017080416 210203922 /nfs/dbraw/zinc/20/39/22/210203922.db2.gz KNTLMNCJNFJXAY-YNEHKIRRSA-N -1 0 393.505 3.879 50 10 GHCARM CCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1OC ZINC000015746678 210167542 /nfs/dbraw/zinc/16/75/42/210167542.db2.gz ZAMOHVQOKWBVCH-SAIXKJTDSA-N -1 0 395.502 3.548 50 10 GHCARM CCOC(=O)c1c2c(sc1NC(=O)CC1(C(=O)[O-])CCCCC1)CCC2 ZINC000013255675 210055250 /nfs/dbraw/zinc/05/52/50/210055250.db2.gz VCQHRBYMASQFDI-UHFFFAOYSA-N -1 0 379.478 3.777 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001214718 209315081 /nfs/dbraw/zinc/31/50/81/209315081.db2.gz LFIHHQFSNLYAKY-FOWTUZBSSA-N -1 0 399.834 3.590 50 10 GHCARM Cc1[n-]n(-c2ccccc2C)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100931031 211394134 /nfs/dbraw/zinc/39/41/34/211394134.db2.gz XEKYZFSLXGDMKK-MHWRWJLKSA-N -1 0 381.348 3.530 50 10 GHCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1cc2c(cc1Cl)OCO2 ZINC000100147428 570308087 /nfs/dbraw/zinc/30/80/87/570308087.db2.gz ZTLZSSSFEILDFL-MKMNVTDBSA-N -1 0 384.775 3.573 50 10 GHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc3c4c(cccc42)CC3)C1=O ZINC000005060635 570427329 /nfs/dbraw/zinc/42/73/29/570427329.db2.gz PWQKSZXDVMYISF-AQTBWJFISA-N -1 0 398.418 3.613 50 10 GHCARM CCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)s1 ZINC000102780085 570861822 /nfs/dbraw/zinc/86/18/22/570861822.db2.gz XTSWRTKGGTWXGS-WQLSENKSSA-N -1 0 392.282 3.582 50 10 GHCARM COCCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c1C ZINC000033349589 570994592 /nfs/dbraw/zinc/99/45/92/570994592.db2.gz CHOSKRBPZYPNAV-PDGQHHTCSA-N -1 0 397.500 3.731 50 10 GHCARM CCCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1OC ZINC000015746679 210167837 /nfs/dbraw/zinc/16/78/37/210167837.db2.gz ZAMOHVQOKWBVCH-MKVLZVNKSA-N -1 0 395.502 3.548 50 10 GHCARM C[C@@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4cc(Cl)cc(Cl)c4)C3=O)ccc2O1 ZINC000013897548 210095563 /nfs/dbraw/zinc/09/55/63/210095563.db2.gz DKYLXPXPXYCNBP-GJRQGDOSSA-N -1 0 389.238 3.778 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)cc1 ZINC000013721925 210084293 /nfs/dbraw/zinc/08/42/93/210084293.db2.gz BHJGIHHSJBODCY-GDNBJRDFSA-N -1 0 393.449 3.734 50 10 GHCARM CN1c2ccccc2C(C)(C)/C1=C/C=C1\SC(=S)N(CCC(=O)[O-])C1=O ZINC000013286167 210056789 /nfs/dbraw/zinc/05/67/89/210056789.db2.gz JVWYTZGULFPUKA-SFGFDRCGSA-N -1 0 388.514 3.517 50 10 GHCARM COc1ccccc1/C=C1\SC(=S)N([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000013122585 210050973 /nfs/dbraw/zinc/05/09/73/210050973.db2.gz LAVUPXNADVCYTE-QZFKAFNDSA-N -1 0 385.466 3.722 50 10 GHCARM O=C([O-])c1ccc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)cc1 ZINC000004655848 209505649 /nfs/dbraw/zinc/50/56/49/209505649.db2.gz IDAABZBVRWBQKZ-UHFFFAOYSA-N -1 0 390.347 3.827 50 10 GHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001210282 209315190 /nfs/dbraw/zinc/31/51/90/209315190.db2.gz HMQYKMLRXIXARI-DFSFMLJYSA-N -1 0 387.457 3.723 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000000974097 209284279 /nfs/dbraw/zinc/28/42/79/209284279.db2.gz RDJKMVNGMRPGAI-NTUHNPAUSA-N -1 0 379.846 3.886 50 10 GHCARM Cc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000002457880 211612884 /nfs/dbraw/zinc/61/28/84/211612884.db2.gz PZSZGUDKGVZJAK-UHFFFAOYSA-N -1 0 384.280 3.563 50 10 GHCARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)c([N+](=O)[O-])c1 ZINC000100316591 211386479 /nfs/dbraw/zinc/38/64/79/211386479.db2.gz DLLGCTNXMGUYPC-XNTDXEJSSA-N -1 0 386.795 3.975 50 10 GHCARM Cc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000004468381 136193902 /nfs/dbraw/zinc/19/39/02/136193902.db2.gz IJVSJWRGHYXNIJ-RGEXLXHISA-N -1 0 387.464 3.617 50 10 GHCARM CCc1cccc(CC)c1NC=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000002990344 570323690 /nfs/dbraw/zinc/32/36/90/570323690.db2.gz VVHUNVNZNUCKRB-LGMDPLHJSA-N -1 0 393.512 3.864 50 10 GHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000005032416 570401467 /nfs/dbraw/zinc/40/14/67/570401467.db2.gz VFWZCEBSMLJBQZ-JNNKLVPLSA-N -1 0 377.418 3.760 50 10 GHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006133310 570467209 /nfs/dbraw/zinc/46/72/09/570467209.db2.gz HMQYKMLRXIXARI-YLQKULKDSA-N -1 0 387.457 3.723 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813986 570618147 /nfs/dbraw/zinc/61/81/47/570618147.db2.gz CDICUBDJWVPZDQ-XFXZXTDPSA-N -1 0 382.832 3.888 50 10 GHCARM Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000004663410 570811935 /nfs/dbraw/zinc/81/19/35/570811935.db2.gz BFTVNJCFYZRDMP-MKMNVTDBSA-N -1 0 394.656 3.690 50 10 GHCARM C[C@H](Oc1ccc(C(=O)NCc2cc([N+](=O)[O-])ccc2[O-])cn1)c1ccccc1 ZINC000065607985 570840032 /nfs/dbraw/zinc/84/00/32/570840032.db2.gz GDKYDDVUXQPBQM-AWEZNQCLSA-N -1 0 393.399 3.765 50 10 GHCARM CCC[C@@H]([NH2+]Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-])C(=O)[O-] ZINC000004540336 570851515 /nfs/dbraw/zinc/85/15/15/570851515.db2.gz MIAYPQQSTPAUKY-QGZVFWFLSA-N -1 0 381.428 3.817 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(Cl)c1 ZINC000105815816 570932580 /nfs/dbraw/zinc/93/25/80/570932580.db2.gz QGBPYQCHMDYFDK-NTEUORMPSA-N -1 0 392.267 3.737 50 10 GHCARM CC(C)[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 ZINC000096115762 860786920 /nfs/dbraw/zinc/78/69/20/860786920.db2.gz BTPCABAYRDUCFJ-LLVKDONJSA-N -1 0 382.368 3.626 50 10 biogenic GHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000014257500 210114221 /nfs/dbraw/zinc/11/42/21/210114221.db2.gz YFMUTBKOQXAFGM-STZFKDTASA-N -1 0 388.398 3.866 50 10 GHCARM COc1ccc(N2C(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000013576068 210068832 /nfs/dbraw/zinc/06/88/32/210068832.db2.gz JERUUTUBUATBSB-OQLLNIDSSA-N -1 0 388.426 3.715 50 10 GHCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)[nH]1 ZINC000013551134 210066828 /nfs/dbraw/zinc/06/68/28/210066828.db2.gz BNKNDAKWXLFJCD-YRNVUSSQSA-N -1 0 394.283 3.770 50 10 GHCARM CCOc1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)C(=N)N21 ZINC000013540803 210067392 /nfs/dbraw/zinc/06/73/92/210067392.db2.gz PCXLOIWUAYIBSB-OVDNTTTISA-N -1 0 393.424 3.653 50 10 GHCARM CCCCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1OC ZINC000002585556 209369284 /nfs/dbraw/zinc/36/92/84/209369284.db2.gz CAKUFSYVAPMYMA-RVDMUPIBSA-N -1 0 395.502 3.550 50 10 GHCARM O=C([O-])CCNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002457316 209364658 /nfs/dbraw/zinc/36/46/58/209364658.db2.gz KJNWCWOGVZCIDW-UHFFFAOYSA-N -1 0 391.427 3.916 50 10 GHCARM COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002315684 209356206 /nfs/dbraw/zinc/35/62/06/209356206.db2.gz VGDVEUZTGQYHMC-UNOMPAQXSA-N -1 0 391.423 3.879 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 ZINC000001774378 209338938 /nfs/dbraw/zinc/33/89/38/209338938.db2.gz YQMHOHLLGMYZPS-ZROIWOOFSA-N -1 0 386.410 3.699 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(C(F)(F)F)c3)C2=O)cc1C ZINC000001186665 209312412 /nfs/dbraw/zinc/31/24/12/209312412.db2.gz NJLGEVSDMQZBNL-MHWRWJLKSA-N -1 0 388.345 3.989 50 10 GHCARM Cc1c2ccc([O-])c(CN3CCOCC3)c2oc(=O)c1-c1ccc(Cl)cc1 ZINC000020605051 209235480 /nfs/dbraw/zinc/23/54/80/209235480.db2.gz JGBMTWYWBCNSBS-UHFFFAOYSA-N -1 0 385.847 3.960 50 10 GHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000001225846 209227383 /nfs/dbraw/zinc/22/73/83/209227383.db2.gz SYYIIHYXYDSMEH-LFIBNONCSA-N -1 0 381.344 3.500 50 10 GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1 ZINC000001909686 211612194 /nfs/dbraw/zinc/61/21/94/211612194.db2.gz UWFQYCKTRNOFEF-ZSOIEALJSA-N -1 0 386.410 3.699 50 10 GHCARM COc1ccc(NC(=O)c2c(Nc3ccccc3)[n-]n3c2nc(C)cc3=O)cc1 ZINC000100247808 211385099 /nfs/dbraw/zinc/38/50/99/211385099.db2.gz DRFNYMCVOIGSTR-UHFFFAOYSA-N -1 0 389.415 3.748 50 10 GHCARM CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1 ZINC000019791816 210297814 /nfs/dbraw/zinc/29/78/14/210297814.db2.gz JEOAVVNXQIMAFK-UHFFFAOYSA-N -1 0 384.863 3.566 50 10 biogenic GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1Cl ZINC000100394962 136189120 /nfs/dbraw/zinc/18/91/20/136189120.db2.gz FHIIIZXUVKNCHI-XFXZXTDPSA-N -1 0 376.199 3.572 50 10 GHCARM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@H](C(F)(F)F)C1 ZINC000004539370 452920887 /nfs/dbraw/zinc/92/08/87/452920887.db2.gz QKJFRJYBLAKJLM-ZETCQYMHSA-N -1 0 378.199 3.662 50 10 GHCARM COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)ccc1O ZINC000012296827 570293584 /nfs/dbraw/zinc/29/35/84/570293584.db2.gz UTKWCMYNMXQZJE-AWEZNQCLSA-N -1 0 394.427 3.577 50 10 biogenic GHCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1Cl ZINC000002958927 570320242 /nfs/dbraw/zinc/32/02/42/570320242.db2.gz MNLZMVAFEXOGOC-FMIVXFBMSA-N -1 0 388.782 3.544 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3OC)C2=O)cc1 ZINC000004845967 570412145 /nfs/dbraw/zinc/41/21/45/570412145.db2.gz YXEMCNXGXDEDFU-WJDWOHSUSA-N -1 0 384.819 3.577 50 10 GHCARM Cc1oc2c(ccc([O-])c2C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(=O)c1-c1ccc(F)cc1 ZINC000026731203 570436484 /nfs/dbraw/zinc/43/64/84/570436484.db2.gz ZBEYEZOELOMFRG-QGZVFWFLSA-N -1 0 397.402 3.662 50 10 biogenic GHCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)C1=CNc1ccccc1 ZINC000005660516 570684869 /nfs/dbraw/zinc/68/48/69/570684869.db2.gz DPEDCRWXVQTBQF-NTEUORMPSA-N -1 0 392.267 3.737 50 10 GHCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002195955 859808119 /nfs/dbraw/zinc/80/81/19/859808119.db2.gz FTUMZFGDFHFZCL-SCOADAFUSA-N -1 0 395.465 3.590 50 10 GHCARM O=C1[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccs1 ZINC000001178468 918489638 /nfs/dbraw/zinc/48/96/38/918489638.db2.gz WEUKAZHFIQCUKB-GHXNOFRVSA-N -1 0 383.281 3.886 50 10 GHCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000016956232 210199753 /nfs/dbraw/zinc/19/97/53/210199753.db2.gz RTTYDINDKZRLFW-PTNGSMBKSA-N -1 0 387.436 3.937 50 10 GHCARM CCCCOc1ccc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)cc1OC ZINC000016225182 210187090 /nfs/dbraw/zinc/18/70/90/210187090.db2.gz KHUHCDPIGAXSSE-AQTBWJFISA-N -1 0 380.444 3.644 50 10 GHCARM CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(CC)c3C)C(=O)[N-]C2=S)cc1 ZINC000002830533 209389350 /nfs/dbraw/zinc/38/93/50/209389350.db2.gz LDBOFENLMPMJGP-LDADJPATSA-N -1 0 381.501 3.519 50 10 GHCARM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000000973059 209284869 /nfs/dbraw/zinc/28/48/69/209284869.db2.gz BKZRQBWZMKOFQC-UHFFFAOYSA-N -1 0 391.430 3.528 50 10 GHCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000000694617 209260783 /nfs/dbraw/zinc/26/07/83/209260783.db2.gz IJSNECNIBOMXHU-NTEUORMPSA-N -1 0 377.625 3.564 50 10 GHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004356989 211543628 /nfs/dbraw/zinc/54/36/28/211543628.db2.gz XUMNCGLQAXIZJU-XYLAZCFOSA-N -1 0 385.466 3.733 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000004824353 570292124 /nfs/dbraw/zinc/29/21/24/570292124.db2.gz VDNWMRUOLOYKGP-UKTHLTGXSA-N -1 0 375.211 3.968 50 10 GHCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1Cl ZINC000002958801 570320104 /nfs/dbraw/zinc/32/01/04/570320104.db2.gz UMIFPKWBBPUFGV-GXDHUFHOSA-N -1 0 384.819 3.714 50 10 GHCARM Cc1ccc(N2C(=O)/C(=C/c3cccc(OCC(=O)[O-])c3)SC2=S)cc1 ZINC000003000781 570325519 /nfs/dbraw/zinc/32/55/19/570325519.db2.gz OCBRLTWSVBKOEM-YBEGLDIGSA-N -1 0 385.466 3.864 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)c(C)c3)C2=O)cc1 ZINC000004703296 570395438 /nfs/dbraw/zinc/39/54/38/570395438.db2.gz YFFGSWXBTKQLTD-XMHGGMMESA-N -1 0 389.455 3.570 50 10 GHCARM COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000005032389 570401509 /nfs/dbraw/zinc/40/15/09/570401509.db2.gz ORTUCGOLAGIHNM-QNKACBJSSA-N -1 0 389.454 3.630 50 10 GHCARM COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004758268 570497943 /nfs/dbraw/zinc/49/79/43/570497943.db2.gz AXCHZRHSKGTLIT-FIKGOQFSSA-N -1 0 379.412 3.763 50 10 GHCARM Cc1ccc(COc2cccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c2)cc1 ZINC000032694329 570513185 /nfs/dbraw/zinc/51/31/85/570513185.db2.gz KGYHXMBWRQTXRK-LICLKQGHSA-N -1 0 399.493 3.860 50 10 GHCARM COc1cccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)c1 ZINC000003071884 570547955 /nfs/dbraw/zinc/54/79/55/570547955.db2.gz FRGLILMWKNDEJO-BQGMYUGNSA-N -1 0 399.493 3.592 50 10 GHCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(Br)c1 ZINC000005649288 570679065 /nfs/dbraw/zinc/67/90/65/570679065.db2.gz LBNFBZKJINTBOD-ZSOIEALJSA-N -1 0 377.625 3.564 50 10 GHCARM Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1 ZINC000016292339 570921031 /nfs/dbraw/zinc/92/10/31/570921031.db2.gz WBGHARRTSCZLOA-YVLHZVERSA-N -1 0 399.493 3.860 50 10 GHCARM CCCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000034902630 856566538 /nfs/dbraw/zinc/56/65/38/856566538.db2.gz JGVQDEHBANIDEY-YBEGLDIGSA-N -1 0 387.482 3.914 50 10 GHCARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H](c2cc(Cl)cc(Cl)c2[O-])[NH2+]1 ZINC000000754316 918039586 /nfs/dbraw/zinc/03/95/86/918039586.db2.gz AKQJKFSWUKPUMJ-GDBMZVCRSA-N -1 0 377.227 3.869 50 10 GHCARM CCCCOc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1OC ZINC000016672023 919447908 /nfs/dbraw/zinc/44/79/08/919447908.db2.gz VCJQBWHTNCXORX-AQTBWJFISA-N -1 0 380.444 3.644 50 10 GHCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1OCC ZINC000015822111 210171091 /nfs/dbraw/zinc/17/10/91/210171091.db2.gz BZTMKVIYGAJALZ-GDNBJRDFSA-N -1 0 386.835 3.599 50 10 GHCARM CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c1[O-] ZINC000015011125 210143220 /nfs/dbraw/zinc/14/32/20/210143220.db2.gz HPMRLNWFYJULSV-MLPAPPSSSA-N -1 0 382.463 3.556 50 10 GHCARM CCn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000013810446 210092324 /nfs/dbraw/zinc/09/23/24/210092324.db2.gz PRCFKUVSFGLLEX-BOPFTXTBSA-N -1 0 393.830 3.981 50 10 GHCARM COc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C)C(=O)[O-])C3=O)o2)cc1 ZINC000013576381 210068279 /nfs/dbraw/zinc/06/82/79/210068279.db2.gz ORTUCGOLAGIHNM-KXUVPBGPSA-N -1 0 389.454 3.630 50 10 GHCARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002748387 209382797 /nfs/dbraw/zinc/38/27/97/209382797.db2.gz AMPUZJDFTNGAOY-NWDGAFQWSA-N -1 0 379.478 3.633 50 10 GHCARM Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)[N-]C1=S ZINC000002308659 209355917 /nfs/dbraw/zinc/35/59/17/209355917.db2.gz SNUCGGXRUJAODS-NBVRZTHBSA-N -1 0 387.464 3.617 50 10 GHCARM CCOC(=O)CC1=NN(c2ccccc2)C(=O)C1=CC=Cc1ccccc1OC ZINC000100218596 211384557 /nfs/dbraw/zinc/38/45/57/211384557.db2.gz OQGHCYIYVPRSQF-AFYXKLSTSA-N -1 0 390.439 3.991 50 10 GHCARM O=C1N[C@@H](c2cc(Br)cc(Br)c2[O-])Nc2ccccc21 ZINC000049537145 570268452 /nfs/dbraw/zinc/26/84/52/570268452.db2.gz UZUICZNQVRKNHR-ZDUSSCGKSA-N -1 0 398.054 3.771 50 10 GHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2cccs2)SC1=S ZINC000006133306 570276224 /nfs/dbraw/zinc/27/62/24/570276224.db2.gz YXNAFKSTVBIXPB-LFGHMXSPSA-N -1 0 375.496 3.645 50 10 GHCARM CCN(C)c1ccc(/C=C2\C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)cc1 ZINC000000677664 570290029 /nfs/dbraw/zinc/29/00/29/570290029.db2.gz BWMCEQSCHBLFLB-CAOOACKPSA-N -1 0 390.270 3.911 50 10 GHCARM CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004834599 570310264 /nfs/dbraw/zinc/31/02/64/570310264.db2.gz QEXXSDPLTRYSMZ-IBGZPJMESA-N -1 0 399.878 3.949 50 10 GHCARM CC(C)c1ccc(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)cc1 ZINC000006239799 570376926 /nfs/dbraw/zinc/37/69/26/570376926.db2.gz DKHJPMFAKKYMKF-UHFFFAOYSA-N -1 0 390.490 3.586 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S ZINC000006660449 570521761 /nfs/dbraw/zinc/52/17/61/570521761.db2.gz GMDDYDIZPNURAT-WQLSENKSSA-N -1 0 378.862 3.564 50 10 GHCARM CCn1cc(/C=C2\C(=O)[N-]C(=O)N([C@H](C)c3ccccc3)C2=O)c2ccccc21 ZINC000005478041 570608141 /nfs/dbraw/zinc/60/81/41/570608141.db2.gz SDOHFGKMYDTTDO-DQPIFXJKSA-N -1 0 387.439 3.884 50 10 GHCARM C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)ccc2O1 ZINC000016810413 570911186 /nfs/dbraw/zinc/91/11/86/570911186.db2.gz FLHPZLAWEWJMOP-IEMQHYRPSA-N -1 0 391.514 3.856 50 10 GHCARM Cc1cccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 ZINC000004815213 571048321 /nfs/dbraw/zinc/04/83/21/571048321.db2.gz DYJWJPKSPDBIID-LDADJPATSA-N -1 0 389.367 3.625 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000005061557 843440136 /nfs/dbraw/zinc/44/01/36/843440136.db2.gz LJGRKKXVARZYBF-JYRVWZFOSA-N -1 0 375.211 3.968 50 10 GHCARM C[C@@H]1CN(c2ccc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2F)C[C@@H](C)O1 ZINC000057372509 862065365 /nfs/dbraw/zinc/06/53/65/862065365.db2.gz QKGPGZONIWNWKU-CHWSQXEVSA-N -1 0 392.858 3.728 50 10 GHCARM Cn1cc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000002287478 854928382 /nfs/dbraw/zinc/92/83/82/854928382.db2.gz LSOQJRLDRFPCRI-LDADJPATSA-N -1 0 391.402 3.862 50 10 GHCARM COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000033481865 893182956 /nfs/dbraw/zinc/18/29/56/893182956.db2.gz FMRHWUYWMASAFV-XDHOZWIPSA-N -1 0 391.423 3.566 50 10 GHCARM COC(=O)C[C@H](c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)C(C)C ZINC000096221824 914264145 /nfs/dbraw/zinc/26/41/45/914264145.db2.gz FXNUPXSZXYWPKE-ZDUSSCGKSA-N -1 0 398.411 3.880 50 10 biogenic GHCARM Cn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000017124332 210206207 /nfs/dbraw/zinc/20/62/07/210206207.db2.gz BXMANSWYTWAOQD-YBEGLDIGSA-N -1 0 379.416 3.989 50 10 GHCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c(O)c1 ZINC000017138362 210206386 /nfs/dbraw/zinc/20/63/86/210206386.db2.gz UEZJPCACURQJFR-PTNGSMBKSA-N -1 0 397.406 3.884 50 10 GHCARM COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c(OC)c1 ZINC000002261085 209353574 /nfs/dbraw/zinc/35/35/74/209353574.db2.gz QWSYMNKGHUOVIO-XNTDXEJSSA-N -1 0 395.502 3.550 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1[N+](=O)[O-] ZINC000001215304 209314993 /nfs/dbraw/zinc/31/49/93/209314993.db2.gz DNQVMWGTQJDOAU-OQLLNIDSSA-N -1 0 395.371 3.727 50 10 GHCARM COc1ccccc1-c1c([O-])c2ccc([O-])c(C[NH+]3CCCCC3)c2oc1=O ZINC000020650201 209236034 /nfs/dbraw/zinc/23/60/34/209236034.db2.gz OMFRITSCEXDSTE-UHFFFAOYSA-N -1 0 381.428 3.866 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(F)c(-c3cccs3)c2)SC1=S ZINC000055038009 209212485 /nfs/dbraw/zinc/21/24/85/209212485.db2.gz IPMJOEYTEYAKPE-NTUHNPAUSA-N -1 0 379.459 3.840 50 10 GHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001281969 211504382 /nfs/dbraw/zinc/50/43/82/211504382.db2.gz XPMUWHVBFWYFSV-GPLLRDDGSA-N -1 0 399.493 3.940 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)cc1 ZINC000095471047 136179388 /nfs/dbraw/zinc/17/93/88/136179388.db2.gz XBDCXQZGKOSZOZ-LCYFTJDESA-N -1 0 390.226 3.881 50 10 GHCARM O=c1[n-]n2c([nH]c3c(c2=O)CCCC3)c1N=Nc1cccc(C(F)(F)F)c1 ZINC000103674905 570296197 /nfs/dbraw/zinc/29/61/97/570296197.db2.gz JIXXPUVJQDKGFJ-GHVJWSGMSA-N -1 0 377.326 3.629 50 10 GHCARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000004701872 570394966 /nfs/dbraw/zinc/39/49/66/570394966.db2.gz QQXQGNPOHNNPGG-LLVKDONJSA-N -1 0 381.494 3.879 50 10 GHCARM COc1ccccc1[C@@H]1CC(c2c(C)cc3oc(=O)c4c(c3c2[O-])CCC4)=NN1 ZINC000012391696 570644276 /nfs/dbraw/zinc/64/42/76/570644276.db2.gz YCRHEGJJXXKDCE-INIZCTEOSA-N -1 0 390.439 3.743 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cc(Cl)ccc1Cl ZINC000005648021 570679139 /nfs/dbraw/zinc/67/91/39/570679139.db2.gz FHIIIZXUVKNCHI-FMIVXFBMSA-N -1 0 376.199 3.572 50 10 GHCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000005727308 570904688 /nfs/dbraw/zinc/90/46/88/570904688.db2.gz YWSCJWUUMPSIIH-RYUDHWBXSA-N -1 0 379.478 3.632 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1O ZINC000033333141 570988971 /nfs/dbraw/zinc/98/89/71/570988971.db2.gz LRNLOVHPQMGSQV-DHDCSXOGSA-N -1 0 382.441 3.689 50 10 GHCARM Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=S)N(c2cccc(Cl)c2)C1=O ZINC000016249731 210186255 /nfs/dbraw/zinc/18/62/55/210186255.db2.gz IAPKMAAREITIMS-YBEGLDIGSA-N -1 0 395.871 3.961 50 10 GHCARM CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000013552782 210066660 /nfs/dbraw/zinc/06/66/60/210066660.db2.gz PRCFKUVSFGLLEX-GZTJUZNOSA-N -1 0 393.830 3.981 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002486398 209366912 /nfs/dbraw/zinc/36/69/12/209366912.db2.gz OKQSNZTXVSFHIS-CHWSQXEVSA-N -1 0 391.489 3.799 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/C=C/c1ccco1 ZINC000002297674 209354543 /nfs/dbraw/zinc/35/45/43/209354543.db2.gz WWBUUQGJPFLCAN-BOAPOFAJSA-N -1 0 376.290 3.521 50 10 GHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000002256945 209352376 /nfs/dbraw/zinc/35/23/76/209352376.db2.gz SLUMYRNDCAWEKH-DHZHZOJOSA-N -1 0 391.210 3.668 50 10 GHCARM CCCC[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000002132695 209347543 /nfs/dbraw/zinc/34/75/43/209347543.db2.gz BFMLXWKWRCWUGE-SFHVURJKSA-N -1 0 381.428 3.899 50 10 biogenic GHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccs2)SC1=S ZINC000001806840 209339606 /nfs/dbraw/zinc/33/96/06/209339606.db2.gz YXNAFKSTVBIXPB-ODUNQGDFSA-N -1 0 375.496 3.645 50 10 GHCARM CCCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000001779695 209338311 /nfs/dbraw/zinc/33/83/11/209338311.db2.gz FWPUMAJDXGZWED-XNTDXEJSSA-N -1 0 395.502 3.550 50 10 GHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001774305 209338371 /nfs/dbraw/zinc/33/83/71/209338371.db2.gz YOXUOPFXFNNIAV-DFSFMLJYSA-N -1 0 387.457 3.723 50 10 GHCARM Cn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000001243491 209318188 /nfs/dbraw/zinc/31/81/88/209318188.db2.gz BZNHVPKYKRIRPH-CXUHLZMHSA-N -1 0 379.416 3.989 50 10 GHCARM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Br)c2)cc1 ZINC000001234490 209317612 /nfs/dbraw/zinc/31/76/12/209317612.db2.gz ZBFHHGMRUMLJBB-UHFFFAOYSA-N -1 0 376.659 3.917 50 10 GHCARM COc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)cc1 ZINC000001124795 209303587 /nfs/dbraw/zinc/30/35/87/209303587.db2.gz ZKMBFAITJSYZOR-UHFFFAOYSA-N -1 0 389.363 3.986 50 10 biogenic GHCARM Cc1ccc(O)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CCC(=O)[O-])c1 ZINC000080316233 211158481 /nfs/dbraw/zinc/15/84/81/211158481.db2.gz WYKJGHKPMLYESS-KRWDZBQOSA-N -1 0 386.835 3.897 50 10 GHCARM CCCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCOCC2)c1[O-] ZINC000019926590 210307483 /nfs/dbraw/zinc/30/74/83/210307483.db2.gz DUOPNEJBYYEMBO-UHFFFAOYSA-N -1 0 379.456 3.950 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl ZINC000004821895 570288496 /nfs/dbraw/zinc/28/84/96/570288496.db2.gz NARZMWRGRWQJPM-XFXZXTDPSA-N -1 0 377.252 3.825 50 10 GHCARM COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)cc1O ZINC000012297005 570293991 /nfs/dbraw/zinc/29/39/91/570293991.db2.gz ZCOWMEDZXJULJW-AWEZNQCLSA-N -1 0 394.427 3.577 50 10 biogenic GHCARM O=C([O-])c1cccc(N2N=C(c3ccccc3)/C(=C/c3ccccc3O)C2=O)c1 ZINC000005773968 570348027 /nfs/dbraw/zinc/34/80/27/570348027.db2.gz ZCMOOXDWKBBVNF-RGEXLXHISA-N -1 0 384.391 3.925 50 10 GHCARM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1 ZINC000004682183 570392892 /nfs/dbraw/zinc/39/28/92/570392892.db2.gz HLHBSADFOMYOKL-AHEGLGOKSA-N -1 0 392.480 3.700 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC)c4ccccc34)C2=O)cc1 ZINC000004703289 570395421 /nfs/dbraw/zinc/39/54/21/570395421.db2.gz WACFLZKAXHGLRZ-UYRXBGFRSA-N -1 0 387.439 3.890 50 10 GHCARM COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1OC ZINC000217822151 894518065 /nfs/dbraw/zinc/51/80/65/894518065.db2.gz HZFWEWVHYVNGSL-UHFFFAOYSA-N -1 0 377.356 3.953 50 10 biogenic GHCARM O=C1[N-]C(=S)N(c2cccc3ccccc32)C(=O)C1=CNc1ccc(F)cc1 ZINC000017249311 210207391 /nfs/dbraw/zinc/20/73/91/210207391.db2.gz GEEXAFXUUCDJGO-ATVHPVEESA-N -1 0 391.427 3.723 50 10 GHCARM Cc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c(C)n1-c1ccc(C)cc1 ZINC000015009103 210142594 /nfs/dbraw/zinc/14/25/94/210142594.db2.gz OSPPUGAZAZROEF-CXUHLZMHSA-N -1 0 386.498 3.688 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000013809754 210092605 /nfs/dbraw/zinc/09/26/05/210092605.db2.gz LRTXGQIRTUIELX-ATVHPVEESA-N -1 0 392.411 3.917 50 10 GHCARM COC(=O)c1c2c(sc1NC(=O)CC1(C(=O)[O-])CCCCCC1)CCC2 ZINC000013249709 210055579 /nfs/dbraw/zinc/05/55/79/210055579.db2.gz NKUZITNHDJFSJR-UHFFFAOYSA-N -1 0 379.478 3.777 50 10 GHCARM COc1ccccc1/C=C1\SC(=S)N([C@@H](C(=O)[O-])c2ccccc2)C1=O ZINC000013122584 210051091 /nfs/dbraw/zinc/05/10/91/210051091.db2.gz LAVUPXNADVCYTE-UVQBRAAOSA-N -1 0 385.466 3.722 50 10 GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000005476644 209597090 /nfs/dbraw/zinc/59/70/90/209597090.db2.gz RSSRWUKYZJVTQJ-AGIUHOORSA-N -1 0 393.505 3.879 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002486400 209366334 /nfs/dbraw/zinc/36/63/34/209366334.db2.gz OKQSNZTXVSFHIS-STQMWFEESA-N -1 0 391.489 3.799 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000002208669 209349496 /nfs/dbraw/zinc/34/94/96/209349496.db2.gz LBJWOFLODUDDOT-QGOAFFKASA-N -1 0 391.814 3.797 50 10 GHCARM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(C)c2)C1=O ZINC000001192799 209312274 /nfs/dbraw/zinc/31/22/74/209312274.db2.gz XOILSRWIGIZZME-CPNJWEJPSA-N -1 0 386.407 3.823 50 10 GHCARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)[nH]1 ZINC000001014252 209289396 /nfs/dbraw/zinc/28/93/96/209289396.db2.gz AARFMUWXIQJMTP-WUXMJOGZSA-N -1 0 394.283 3.770 50 10 GHCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1 ZINC000020392882 209234852 /nfs/dbraw/zinc/23/48/52/209234852.db2.gz HFHNTYALTIMBJB-UHFFFAOYSA-N -1 0 398.890 3.957 50 10 GHCARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000100041001 211382802 /nfs/dbraw/zinc/38/28/02/211382802.db2.gz WSNXTRNUBBXDJU-YVLHZVERSA-N -1 0 381.348 3.530 50 10 GHCARM Cc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1 ZINC000008994942 136195812 /nfs/dbraw/zinc/19/58/12/136195812.db2.gz PNLSSMXWJHOOTL-MDWZMJQESA-N -1 0 375.178 3.857 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccc2c3c(cccc31)CC2 ZINC000006138861 570276457 /nfs/dbraw/zinc/27/64/57/570276457.db2.gz ZHWDIQAPPJCQBP-CPNJWEJPSA-N -1 0 397.434 3.513 50 10 GHCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@H](c2cccc(F)c2)C1)CCC3 ZINC000012321915 570313156 /nfs/dbraw/zinc/31/31/56/570313156.db2.gz LAJDKZJYILAEML-INIZCTEOSA-N -1 0 378.403 3.874 50 10 GHCARM O=C([O-])c1cc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)ccc1O ZINC000604406375 570358198 /nfs/dbraw/zinc/35/81/98/570358198.db2.gz UCKBKZBIGSSDJN-UHFFFAOYSA-N -1 0 383.359 3.606 50 10 biogenic GHCARM Cc1ccc2[nH]cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 ZINC000004833398 570409509 /nfs/dbraw/zinc/40/95/09/570409509.db2.gz HNJDSAXHALXSBR-SXGWCWSVSA-N -1 0 379.803 3.796 50 10 GHCARM COc1ccccc1Oc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000006249132 570473921 /nfs/dbraw/zinc/47/39/21/570473921.db2.gz FZLJAKPAOYQENM-UHFFFAOYSA-N -1 0 389.363 3.986 50 10 GHCARM COc1ccccc1[C@H]1CC(c2c(C)cc3oc(=O)c4c(c3c2[O-])CCC4)=NN1 ZINC000012391697 570644400 /nfs/dbraw/zinc/64/44/00/570644400.db2.gz YCRHEGJJXXKDCE-MRXNPFEDSA-N -1 0 390.439 3.743 50 10 GHCARM CCN(CC)c1ccc(/C=C2\CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000012534460 570678114 /nfs/dbraw/zinc/67/81/14/570678114.db2.gz KLEVOVNUDBVICA-DTQAZKPQSA-N -1 0 389.455 3.885 50 10 GHCARM Cc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000006897980 570695131 /nfs/dbraw/zinc/69/51/31/570695131.db2.gz DGFRDDMBEFEVRZ-BOPFTXTBSA-N -1 0 375.453 3.729 50 10 GHCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000004677808 570823802 /nfs/dbraw/zinc/82/38/02/570823802.db2.gz NZXYSOGWABXJTQ-XSFVSMFZSA-N -1 0 389.455 3.570 50 10 GHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000015658854 570901028 /nfs/dbraw/zinc/90/10/28/570901028.db2.gz QEOPFNYANBFPHM-ZSOIEALJSA-N -1 0 385.763 3.753 50 10 GHCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)[N-]C2=S)c1C ZINC000004743535 570959421 /nfs/dbraw/zinc/95/94/21/570959421.db2.gz IHDNUVGKYNQOPB-XYOKQWHBSA-N -1 0 376.890 3.850 50 10 GHCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c2ccccc12 ZINC000001192802 918514312 /nfs/dbraw/zinc/51/43/12/918514312.db2.gz MMEXGIYVHPONDV-CPNJWEJPSA-N -1 0 386.407 3.823 50 10 GHCARM Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2C)C1=O ZINC000019535407 210258250 /nfs/dbraw/zinc/25/82/50/210258250.db2.gz VPKAIZLJBGGNDC-WJDWOHSUSA-N -1 0 375.453 3.616 50 10 GHCARM CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)C(=O)O1 ZINC000004505958 209491491 /nfs/dbraw/zinc/49/14/91/209491491.db2.gz KKYNHDQGFRBQTE-UHFFFAOYSA-N -1 0 376.748 3.518 50 10 GHCARM CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)OC)C1 ZINC000002747120 209381129 /nfs/dbraw/zinc/38/11/29/209381129.db2.gz MZPJOUHEFLOPGD-LLVKDONJSA-N -1 0 381.494 3.879 50 10 GHCARM O=C([O-])COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000001416187 209326464 /nfs/dbraw/zinc/32/64/64/209326464.db2.gz ANHOIRAJFZJBRQ-XNTDXEJSSA-N -1 0 377.487 3.684 50 10 GHCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C1CCCC1 ZINC000001254736 209317197 /nfs/dbraw/zinc/31/71/97/209317197.db2.gz ZRYRCVXDJUYJPL-WOJGMQOQSA-N -1 0 381.432 3.679 50 10 GHCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001792521 209228397 /nfs/dbraw/zinc/22/83/97/209228397.db2.gz YUCQBHBKHAPHQU-HRYODUOUSA-N -1 0 392.527 3.575 50 10 biogenic GHCARM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001215099 136196119 /nfs/dbraw/zinc/19/61/19/136196119.db2.gz FSJQEJIEKOUJCC-NTEUORMPSA-N -1 0 391.210 3.668 50 10 GHCARM Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000004817141 570235818 /nfs/dbraw/zinc/23/58/18/570235818.db2.gz CTMOKYHOAXVVHA-SXGWCWSVSA-N -1 0 395.871 3.663 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccccc3Br)C2=O)cc1C ZINC000001183992 570256208 /nfs/dbraw/zinc/25/62/08/570256208.db2.gz HENRNTWTKZMYRN-XNTDXEJSSA-N -1 0 399.244 3.732 50 10 GHCARM CCOc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)C(=O)[N-]C2=S)c1 ZINC000004742285 570401313 /nfs/dbraw/zinc/40/13/13/570401313.db2.gz XJHVOIDSGJJYIY-YBEGLDIGSA-N -1 0 386.860 3.570 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1C ZINC000002980076 570524729 /nfs/dbraw/zinc/52/47/29/570524729.db2.gz VWKMNDITVHCTMB-XSFVSMFZSA-N -1 0 385.423 3.761 50 10 GHCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S ZINC000005373707 570568858 /nfs/dbraw/zinc/56/88/58/570568858.db2.gz IARHMPSMLVQMIE-GQVHDAKQSA-N -1 0 395.502 3.548 50 10 GHCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-])CCC2 ZINC000005408483 570585836 /nfs/dbraw/zinc/58/58/36/570585836.db2.gz FELSALOMWGPMNN-ZIAGYGMSSA-N -1 0 391.489 3.799 50 10 GHCARM CN(C)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000012414026 570656998 /nfs/dbraw/zinc/65/69/98/570656998.db2.gz DRIZUSKVXOXVBK-QINSGFPZSA-N -1 0 378.519 3.599 50 10 GHCARM O=C(NCc1cc([N+](=O)[O-])ccc1[O-])C1c2ccccc2Oc2ccccc21 ZINC000036622618 570766799 /nfs/dbraw/zinc/76/67/99/570766799.db2.gz RVFXBDPPEXEIMR-UHFFFAOYSA-N -1 0 376.368 3.854 50 10 GHCARM O=C([O-])c1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3)C2=S)c1 ZINC000001236284 570941513 /nfs/dbraw/zinc/94/15/13/570941513.db2.gz XCASSIFSLXUUAA-OQLLNIDSSA-N -1 0 398.465 3.861 50 10 GHCARM Cc1oc2c(ccc([O-])c2C[NH2+][C@@H](C(=O)[O-])C(C)C)c(=O)c1Oc1ccccc1 ZINC000019702921 860326870 /nfs/dbraw/zinc/32/68/70/860326870.db2.gz XIOZQUAUBCZYNY-GOSISDBHSA-N -1 0 397.427 3.798 50 10 biogenic GHCARM O=C1C[C@@H](c2ccco2)c2c(c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096115435 860786961 /nfs/dbraw/zinc/78/69/61/860786961.db2.gz OYYMXKIAVDZMDR-LBPRGKRZSA-N -1 0 390.347 3.905 50 10 biogenic GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1 ZINC000013660255 210075087 /nfs/dbraw/zinc/07/50/87/210075087.db2.gz LMHGAHBALISQHO-HKWRFOASSA-N -1 0 391.471 3.762 50 10 GHCARM C[C@H]1CCCN(c2cc(NCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000002457325 209364633 /nfs/dbraw/zinc/36/46/33/209364633.db2.gz RFZZSSUCGJTGDU-LBPRGKRZSA-N -1 0 391.427 3.772 50 10 GHCARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002748390 209382294 /nfs/dbraw/zinc/38/22/94/209382294.db2.gz AMPUZJDFTNGAOY-NEPJUHHUSA-N -1 0 379.478 3.633 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1Cl ZINC000002742175 209381478 /nfs/dbraw/zinc/38/14/78/209381478.db2.gz MAFBSGMBYQRGMG-LUAWRHEFSA-N -1 0 376.199 3.572 50 10 GHCARM CC(C)Cn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000002316497 209356223 /nfs/dbraw/zinc/35/62/23/209356223.db2.gz QQWUXLGDNZBYGV-VCHYOVAHSA-N -1 0 391.427 3.757 50 10 GHCARM CCOc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000001412492 209327133 /nfs/dbraw/zinc/32/71/33/209327133.db2.gz BUFAYZHWWMWQIJ-GXDHUFHOSA-N -1 0 390.511 3.693 50 10 GHCARM Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1C ZINC000000677828 209258472 /nfs/dbraw/zinc/25/84/72/209258472.db2.gz MTMTXAJVUYBVKH-LICLKQGHSA-N -1 0 375.453 3.616 50 10 GHCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-])CCCC2 ZINC000004651476 570389706 /nfs/dbraw/zinc/38/97/06/570389706.db2.gz FNFQUUVVMMQRLD-ZIAGYGMSSA-N -1 0 391.489 3.799 50 10 GHCARM O=C([O-])c1cccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)o2)c1 ZINC000004691341 570393587 /nfs/dbraw/zinc/39/35/87/570393587.db2.gz TWALHXHOOIFRGH-PDGQHHTCSA-N -1 0 388.379 3.738 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S ZINC000006661002 570524754 /nfs/dbraw/zinc/52/47/54/570524754.db2.gz JSLYKDAOGZLDOV-LCYFTJDESA-N -1 0 392.889 3.954 50 10 GHCARM O=C([O-])c1cccc(N2N=C(c3ccccc3)/C(=C\c3ccccc3O)C2=O)c1 ZINC000103070702 570875186 /nfs/dbraw/zinc/87/51/86/570875186.db2.gz ZCMOOXDWKBBVNF-XMHGGMMESA-N -1 0 384.391 3.925 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C/c2csc(Br)c2)SC1=S ZINC000097015686 570886706 /nfs/dbraw/zinc/88/67/06/570886706.db2.gz RDBDTOIUZUXWPL-YWEYNIOJSA-N -1 0 392.321 3.577 50 10 GHCARM COC(=O)c1c(C)c(C(C)=O)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000044827028 570978363 /nfs/dbraw/zinc/97/83/63/570978363.db2.gz DAYOUXPDQGCUMS-GDNBJRDFSA-N -1 0 397.456 3.764 50 10 GHCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(CCC2=CCCCC2)C1=O ZINC000002289792 855003057 /nfs/dbraw/zinc/00/30/57/855003057.db2.gz CKGVFVBKQTXKRI-QGOAFFKASA-N -1 0 377.444 3.829 50 10 GHCARM Cc1ccccc1Cn1cccc1C=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000008770259 856354837 /nfs/dbraw/zinc/35/48/37/856354837.db2.gz LIZGTYWOOGITSX-XDHOZWIPSA-N -1 0 389.411 3.940 50 10 GHCARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H](c2cc(Cl)cc(Cl)c2[O-])[NH2+]1 ZINC000000754319 918039032 /nfs/dbraw/zinc/03/90/32/918039032.db2.gz AKQJKFSWUKPUMJ-HOCLYGCPSA-N -1 0 377.227 3.869 50 10 GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 ZINC000001137293 918457095 /nfs/dbraw/zinc/45/70/95/918457095.db2.gz LDNKAVNDMOXAQE-OVCLIPMQSA-N -1 0 381.844 3.653 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1cccc(Cl)c1 ZINC000017086462 210204673 /nfs/dbraw/zinc/20/46/73/210204673.db2.gz RJQUNKWVKMECEC-XFXZXTDPSA-N -1 0 376.199 3.572 50 10 GHCARM CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)SC2=S)cc1 ZINC000007209132 209722686 /nfs/dbraw/zinc/72/26/86/209722686.db2.gz PSAVMRIBWYOBRP-LFIBNONCSA-N -1 0 384.482 3.857 50 10 GHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001233298 209316202 /nfs/dbraw/zinc/31/62/02/209316202.db2.gz YRVNGDOPTRPBPN-QGOAFFKASA-N -1 0 397.862 3.853 50 10 GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c1 ZINC000002340654 211514981 /nfs/dbraw/zinc/51/49/81/211514981.db2.gz YJAGKAKQSFHYKI-ZROIWOOFSA-N -1 0 381.438 3.667 50 10 GHCARM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC[C@@H](C(F)(F)F)C1 ZINC000004539372 452922084 /nfs/dbraw/zinc/92/20/84/452922084.db2.gz QKJFRJYBLAKJLM-SSDOTTSWSA-N -1 0 378.199 3.662 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3F)o2)SC1=S ZINC000001130164 570245082 /nfs/dbraw/zinc/24/50/82/570245082.db2.gz QZYDOSLAYNGGSV-AWNIVKPZSA-N -1 0 381.381 3.511 50 10 GHCARM CCN1CCCc2ccc(/C=C3/SC(=S)N(CCCC(=O)[O-])C3=O)cc21 ZINC000012274224 570280431 /nfs/dbraw/zinc/28/04/31/570280431.db2.gz ZTDYYAKNWPJESL-FOWTUZBSSA-N -1 0 390.530 3.525 50 10 GHCARM Cc1cc2oc(=O)cc(C)c2c([O-])c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1 ZINC000012296425 570293928 /nfs/dbraw/zinc/29/39/28/570293928.db2.gz LIURVZZZOFUGCO-MRXNPFEDSA-N -1 0 377.444 3.620 50 10 biogenic GHCARM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)ccc1Cl ZINC000004134543 570358897 /nfs/dbraw/zinc/35/88/97/570358897.db2.gz JDYDEJYIVZNWQU-UHFFFAOYSA-N -1 0 378.793 3.908 50 10 GHCARM Cc1cccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000004289696 570365773 /nfs/dbraw/zinc/36/57/73/570365773.db2.gz MQMMKDFNLDWYIS-UHFFFAOYSA-N -1 0 377.421 3.571 50 10 GHCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000012412896 570419156 /nfs/dbraw/zinc/41/91/56/570419156.db2.gz CPTKRDAXBDAYQM-XFFZJAGNSA-N -1 0 389.202 3.573 50 10 GHCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c5c(cccc53)CC4)C2=O)c1 ZINC000005060606 570427265 /nfs/dbraw/zinc/42/72/65/570427265.db2.gz GGSBZOUUFOPMLG-NDENLUEZSA-N -1 0 398.418 3.613 50 10 GHCARM O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1CCc1ccccc1 ZINC000036132244 570560461 /nfs/dbraw/zinc/56/04/61/570560461.db2.gz LJVPLAIIQISBKY-WJDWOHSUSA-N -1 0 386.454 3.744 50 10 GHCARM Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000101141980 570816049 /nfs/dbraw/zinc/81/60/49/570816049.db2.gz YSDORKWRXDYONX-MHWRWJLKSA-N -1 0 395.375 3.838 50 10 GHCARM Cc1n[nH]c(SC(=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])n1 ZINC000004687787 570834037 /nfs/dbraw/zinc/83/40/37/570834037.db2.gz RQWCSITUHFWHBA-WOJGMQOQSA-N -1 0 397.504 3.804 50 10 GHCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C ZINC000083314132 570957321 /nfs/dbraw/zinc/95/73/21/570957321.db2.gz CISDISWKTQEFHP-MHWRWJLKSA-N -1 0 386.835 3.597 50 10 GHCARM CCCC(=O)N[C@@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000027571742 855204767 /nfs/dbraw/zinc/20/47/67/855204767.db2.gz BCQOYHYBKLVVQH-IBGZPJMESA-N -1 0 395.415 3.863 50 10 GHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1O ZINC000008856478 856388350 /nfs/dbraw/zinc/38/83/50/856388350.db2.gz KCEOZAHBADHPPD-QPEQYQDCSA-N -1 0 386.791 3.869 50 10 GHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000005061568 858498129 /nfs/dbraw/zinc/49/81/29/858498129.db2.gz CEGXUDVZSOYDNV-UYRXBGFRSA-N -1 0 377.444 3.542 50 10 GHCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000015219954 210153729 /nfs/dbraw/zinc/15/37/29/210153729.db2.gz NYSBNLWCLNJVPJ-ZROIWOOFSA-N -1 0 375.201 3.702 50 10 GHCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)S/C(=C/c3ccccc3)C2=S)cc1 ZINC000005171675 209576096 /nfs/dbraw/zinc/57/60/96/209576096.db2.gz OIWPCPFHCJFEGU-RVDMUPIBSA-N -1 0 390.511 3.726 50 10 GHCARM CCOc1ccc2ccccc2c1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000003300148 209421899 /nfs/dbraw/zinc/42/18/99/209421899.db2.gz VRQDQAOHZIBDSQ-LFIBNONCSA-N -1 0 387.482 3.914 50 10 GHCARM O=C([O-])CCCNc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000002457280 209365493 /nfs/dbraw/zinc/36/54/93/209365493.db2.gz MPPNAHIEESWLAK-UHFFFAOYSA-N -1 0 391.427 3.916 50 10 GHCARM CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000000921053 209279317 /nfs/dbraw/zinc/27/93/17/209279317.db2.gz CYZMJEXONZUVTE-GZTJUZNOSA-N -1 0 384.819 3.794 50 10 GHCARM Cc1c(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc2n1C ZINC000000654828 209254961 /nfs/dbraw/zinc/25/49/61/209254961.db2.gz FHZCDUNBOZHNJT-LDADJPATSA-N -1 0 389.480 3.626 50 10 GHCARM CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 ZINC000001173551 136196215 /nfs/dbraw/zinc/19/62/15/136196215.db2.gz YKQYZIDQRQHIQQ-MHWRWJLKSA-N -1 0 384.819 3.714 50 10 GHCARM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c1 ZINC000021670060 136203179 /nfs/dbraw/zinc/20/31/79/136203179.db2.gz DHDSSTPGSFFDOL-WJDWOHSUSA-N -1 0 380.400 3.827 50 10 GHCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000008914956 536657634 /nfs/dbraw/zinc/65/76/34/536657634.db2.gz WLXPGQANMVLGGM-RIYZIHGNSA-N -1 0 395.802 3.701 50 10 GHCARM Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000004688377 570393241 /nfs/dbraw/zinc/39/32/41/570393241.db2.gz DXTUXIZELWWQPC-MKMNVTDBSA-N -1 0 376.821 3.770 50 10 GHCARM Cc1cccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000004951080 570419467 /nfs/dbraw/zinc/41/94/67/570419467.db2.gz OUJPLMRWHVCRGF-PDGQHHTCSA-N -1 0 389.367 3.625 50 10 GHCARM CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1O ZINC000001780684 570423448 /nfs/dbraw/zinc/42/34/48/570423448.db2.gz ZIOOTNADEVWEKM-RVDMUPIBSA-N -1 0 395.502 3.637 50 10 GHCARM CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21)C(=O)[O-] ZINC000005468735 570603456 /nfs/dbraw/zinc/60/34/56/570603456.db2.gz IJAAWTXJFCQYFT-DJJJIMSYSA-N -1 0 397.427 3.880 50 10 GHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000000966989 570739609 /nfs/dbraw/zinc/73/96/09/570739609.db2.gz JXPDZYUODGTZMZ-MFVBVHDHSA-N -1 0 399.493 3.940 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2F)o1 ZINC000001424491 570999823 /nfs/dbraw/zinc/99/98/23/570999823.db2.gz CLGXQBFSHFXRAN-FOWTUZBSSA-N -1 0 376.343 3.752 50 10 GHCARM Cc1cc(C)c(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 ZINC000002837327 846988661 /nfs/dbraw/zinc/98/86/61/846988661.db2.gz SZLDIENLBARGJA-YBEGLDIGSA-N -1 0 383.835 3.844 50 10 GHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccccc34)C2=O)cc1 ZINC000009042265 856721789 /nfs/dbraw/zinc/72/17/89/856721789.db2.gz ACYVXGDSJIXKHT-PDGQHHTCSA-N -1 0 389.411 3.746 50 10 GHCARM CCOc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)ccc1O ZINC000017122710 210204709 /nfs/dbraw/zinc/20/47/09/210204709.db2.gz KSRMNXKLEPFIBM-UVTDQMKNSA-N -1 0 382.441 3.771 50 10 GHCARM O=C(CCc1ccc(-c2ccccc2F)o1)NCc1cc([N+](=O)[O-])ccc1[O-] ZINC000015763058 210167177 /nfs/dbraw/zinc/16/71/77/210167177.db2.gz MHGHMDWZUSNVHJ-UHFFFAOYSA-N -1 0 384.363 3.949 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S ZINC000001238456 209317725 /nfs/dbraw/zinc/31/77/25/209317725.db2.gz KDHQPBOMSXIRRL-MHWRWJLKSA-N -1 0 385.466 3.551 50 10 GHCARM CCCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000020582711 210350096 /nfs/dbraw/zinc/35/00/96/210350096.db2.gz FWPUMAJDXGZWED-GDNBJRDFSA-N -1 0 395.502 3.550 50 10 biogenic GHCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4Cl)coc32)CC1 ZINC000019791566 210298396 /nfs/dbraw/zinc/29/83/96/210298396.db2.gz TZDKJEVRXAMMGI-UHFFFAOYSA-N -1 0 398.890 3.957 50 10 biogenic GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)cc1Cl ZINC000001178864 136196112 /nfs/dbraw/zinc/19/61/12/136196112.db2.gz VACFMHSDJXTPRC-WUXMJOGZSA-N -1 0 391.210 3.674 50 10 GHCARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=S ZINC000001236282 518201713 /nfs/dbraw/zinc/20/17/13/518201713.db2.gz YIPOKUSRVRTCSA-XNTDXEJSSA-N -1 0 398.465 3.861 50 10 GHCARM COc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C(F)(F)F)cc1 ZINC000004833483 570309545 /nfs/dbraw/zinc/30/95/45/570309545.db2.gz GQBSKSXMDJGVGY-GDNBJRDFSA-N -1 0 390.317 3.742 50 10 GHCARM CCN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000005128009 570422012 /nfs/dbraw/zinc/42/20/12/570422012.db2.gz GTKBIVRMOIICCS-GDNBJRDFSA-N -1 0 390.270 3.911 50 10 GHCARM Cc1ccc(COc2ccccc2/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000032694328 570513230 /nfs/dbraw/zinc/51/32/30/570513230.db2.gz MYFIAIPDVUBWIK-LICLKQGHSA-N -1 0 399.493 3.860 50 10 GHCARM O=C([O-])COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 ZINC000012729733 570706753 /nfs/dbraw/zinc/70/67/53/570706753.db2.gz FIXLWAQZIGIRGY-MHWRWJLKSA-N -1 0 385.466 3.551 50 10 GHCARM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3cc(C)ccc3C)C2=O)cc1 ZINC000004724073 570862855 /nfs/dbraw/zinc/86/28/55/570862855.db2.gz AAZFSCGLBUZKAE-AHEGLGOKSA-N -1 0 392.480 3.700 50 10 GHCARM CCOc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000013915471 570902851 /nfs/dbraw/zinc/90/28/51/570902851.db2.gz JWNBZZUWWUPJKC-LICLKQGHSA-N -1 0 380.400 3.598 50 10 GHCARM Cc1ccccc1-n1cccc1/C=C1\C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000004747742 570959489 /nfs/dbraw/zinc/95/94/89/570959489.db2.gz ZQDGMUDZLHLWTN-NBVRZTHBSA-N -1 0 377.444 3.580 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)SC1=S ZINC000002209519 571006125 /nfs/dbraw/zinc/00/61/25/571006125.db2.gz QGVJPYKOIXGERW-DHZHZOJOSA-N -1 0 375.393 3.771 50 10 GHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000038170208 855989173 /nfs/dbraw/zinc/98/91/73/855989173.db2.gz YQCTXAYFNHEEQR-ZSOIEALJSA-N -1 0 386.791 3.951 50 10 GHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000001225675 918544875 /nfs/dbraw/zinc/54/48/75/918544875.db2.gz UROBEINXQSWJIK-LFIBNONCSA-N -1 0 381.344 3.500 50 10 GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)c1 ZINC000013690585 210081221 /nfs/dbraw/zinc/08/12/21/210081221.db2.gz MIWPTZOROZRDJT-CXUHLZMHSA-N -1 0 393.449 3.734 50 10 GHCARM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000013369925 210058334 /nfs/dbraw/zinc/05/83/34/210058334.db2.gz GNMJOFFRWYNQLM-VBKFSLOCSA-N -1 0 390.370 3.654 50 10 GHCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000002103077 209347251 /nfs/dbraw/zinc/34/72/51/209347251.db2.gz IBSWYWFRZRNCFM-NEPJUHHUSA-N -1 0 379.478 3.633 50 10 GHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F ZINC000001202042 209313196 /nfs/dbraw/zinc/31/31/96/209313196.db2.gz BJVANFCGIXTMPA-XMHGGMMESA-N -1 0 388.398 3.866 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000001146968 209306212 /nfs/dbraw/zinc/30/62/12/209306212.db2.gz GSMNDTWWVBYKDD-PVZSTHCMSA-N -1 0 381.319 3.797 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S ZINC000032624164 210578174 /nfs/dbraw/zinc/57/81/74/210578174.db2.gz VXSPURBWGICMFJ-NTEUORMPSA-N -1 0 377.418 3.762 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1OC ZINC000058982308 136155712 /nfs/dbraw/zinc/15/57/12/136155712.db2.gz LMMYOOUOZBAAPX-ZROIWOOFSA-N -1 0 386.404 3.515 50 10 GHCARM Cc1[n-]n(-c2ccccc2)c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O ZINC000012372225 570408639 /nfs/dbraw/zinc/40/86/39/570408639.db2.gz MDLWEPPMJSVEEY-YBEGLDIGSA-N -1 0 397.481 3.881 50 10 GHCARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000009094759 570548990 /nfs/dbraw/zinc/54/89/90/570548990.db2.gz GGKDCYYODUJWMB-UHFFFAOYSA-N -1 0 375.837 3.954 50 10 GHCARM Cn1c(SCC(=O)c2sc3ccccc3c2[O-])nnc1-c1ccc(N)cc1 ZINC000009145614 570550405 /nfs/dbraw/zinc/55/04/05/570550405.db2.gz CKJIGCKXZXLWTE-UHFFFAOYSA-N -1 0 396.497 3.960 50 10 GHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000005423532 570590377 /nfs/dbraw/zinc/59/03/77/570590377.db2.gz VFWZCEBSMLJBQZ-PFMRQGHBSA-N -1 0 377.418 3.760 50 10 GHCARM CC(C)c1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1 ZINC000005652994 570680535 /nfs/dbraw/zinc/68/05/35/570680535.db2.gz KKZUJEVEEMNEDS-GFCCVEGCSA-N -1 0 392.546 3.896 50 10 GHCARM CN(Cc1nccs1)Cc1ccc(Cl)c(I)c1[O-] ZINC000170609064 570866779 /nfs/dbraw/zinc/86/67/79/570866779.db2.gz KVGHLMPNCZAZAV-UHFFFAOYSA-N -1 0 394.665 3.739 50 10 GHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCCC3)o2)C1=O ZINC000004739691 570953913 /nfs/dbraw/zinc/95/39/13/570953913.db2.gz JLCFNJIEZHVBIQ-SAPNQHFASA-N -1 0 393.443 3.635 50 10 GHCARM Cc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1C ZINC000004747745 570959466 /nfs/dbraw/zinc/95/94/66/570959466.db2.gz SRDVITAISUKQJD-XSFVSMFZSA-N -1 0 391.471 3.889 50 10 GHCARM CCCCCN1C/C(=C2\SC(=S)N(CCC(=O)[O-])C2=O)c2ccccc21 ZINC000002310431 855196587 /nfs/dbraw/zinc/19/65/87/855196587.db2.gz XXOIWLNDGPTEPO-SAPNQHFASA-N -1 0 390.530 3.743 50 10 GHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)c2ccccc21 ZINC000002447882 859422237 /nfs/dbraw/zinc/42/22/37/859422237.db2.gz KWCAERVPGHTFJI-XMHGGMMESA-N -1 0 387.439 3.570 50 10 GHCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000016267060 866167390 /nfs/dbraw/zinc/16/73/90/866167390.db2.gz LEEHWKOCBIRMNI-LFIBNONCSA-N -1 0 383.835 3.908 50 10 GHCARM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000001220597 212231045 /nfs/dbraw/zinc/23/10/45/212231045.db2.gz YZFNMPNZWGDHBY-CPNJWEJPSA-N -1 0 386.407 3.510 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000001201245 212228530 /nfs/dbraw/zinc/22/85/30/212228530.db2.gz LJGRKKXVARZYBF-MDWZMJQESA-N -1 0 375.211 3.968 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000000973301 212201339 /nfs/dbraw/zinc/20/13/39/212201339.db2.gz VCALAHVGQVBMSG-NTUHNPAUSA-N -1 0 379.846 3.886 50 10 GHCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000008744452 221053926 /nfs/dbraw/zinc/05/39/26/221053926.db2.gz KTMHOLJKSJDHOK-UHFFFAOYSA-N -1 0 378.215 3.991 50 10 GHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@H](c2ccc3c(c2)OCO3)C1 ZINC000013683789 221280791 /nfs/dbraw/zinc/28/07/91/221280791.db2.gz TZYRCAXEVDGTMZ-AWEZNQCLSA-N -1 0 392.411 3.591 50 10 GHCARM CCOc1cccc(/C=C2/C(=O)[N-]N(c3cc(Cl)cc(Cl)c3)C2=O)c1O ZINC000015746263 221343357 /nfs/dbraw/zinc/34/33/57/221343357.db2.gz UVSCVHHLXDCBJD-NSIKDUERSA-N -1 0 393.226 3.559 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000002919063 136196507 /nfs/dbraw/zinc/19/65/07/136196507.db2.gz HIIQHLIJXURWQJ-NTEUORMPSA-N -1 0 377.252 3.825 50 10 GHCARM CN(C)c1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000004834602 570310326 /nfs/dbraw/zinc/31/03/26/570310326.db2.gz QEXXSDPLTRYSMZ-LJQANCHMSA-N -1 0 399.878 3.949 50 10 GHCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=S ZINC000005373712 570568705 /nfs/dbraw/zinc/56/87/05/570568705.db2.gz IARHMPSMLVQMIE-DYTQJMLRSA-N -1 0 395.502 3.548 50 10 GHCARM COc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)cc1 ZINC000004356719 570696387 /nfs/dbraw/zinc/69/63/87/570696387.db2.gz NGBAEILFTMJJAC-NVNXTCNLSA-N -1 0 387.438 3.505 50 10 GHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S ZINC000004356986 570696885 /nfs/dbraw/zinc/69/68/85/570696885.db2.gz XUMNCGLQAXIZJU-IFQDGVJDSA-N -1 0 385.466 3.733 50 10 GHCARM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)[N-]C2=S)cc1 ZINC000001160756 570758963 /nfs/dbraw/zinc/75/89/63/570758963.db2.gz IHBNIZRKHNMYKG-WOJGMQOQSA-N -1 0 397.500 3.526 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000001161885 570759024 /nfs/dbraw/zinc/75/90/24/570759024.db2.gz LNZIMGCXKYTXGF-OVCLIPMQSA-N -1 0 379.803 3.796 50 10 GHCARM CCN1C(=O)[N-]C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O ZINC000004458258 570785502 /nfs/dbraw/zinc/78/55/02/570785502.db2.gz ZLFKGPBYTAPONH-FLIBITNWSA-N -1 0 379.199 3.735 50 10 GHCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Br)cc1 ZINC000005671161 570796191 /nfs/dbraw/zinc/79/61/91/570796191.db2.gz OZTRYSPPKYVFKP-ZSOIEALJSA-N -1 0 377.625 3.564 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C/c2ccc(Br)s2)SC1=S ZINC000097990687 916047731 /nfs/dbraw/zinc/04/77/31/916047731.db2.gz TXNKHVLNWOLSCS-VURMDHGXSA-N -1 0 392.321 3.577 50 10 GHCARM CC[C@@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000004026503 212145546 /nfs/dbraw/zinc/14/55/46/212145546.db2.gz DWLSLOKNTKMQTC-XCLFUZPHSA-N -1 0 381.428 3.755 50 10 biogenic GHCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S ZINC000001792518 212144016 /nfs/dbraw/zinc/14/40/16/212144016.db2.gz YUCQBHBKHAPHQU-IAOKNECISA-N -1 0 392.527 3.575 50 10 biogenic GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000009333997 221078446 /nfs/dbraw/zinc/07/84/46/221078446.db2.gz LRIBAOKNLVTAQP-XFFZJAGNSA-N -1 0 393.833 3.552 50 10 GHCARM COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c(OC)c1 ZINC000013343081 221265858 /nfs/dbraw/zinc/26/58/58/221265858.db2.gz QWSYMNKGHUOVIO-GDNBJRDFSA-N -1 0 395.502 3.550 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000013062621 221261179 /nfs/dbraw/zinc/26/11/79/221261179.db2.gz UFWMPQNXIXEGJU-YNEHKIRRSA-N -1 0 391.489 3.655 50 10 GHCARM Cc1cc2c(cc1C)N1C(=NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)C1=N)S2 ZINC000013541644 221271838 /nfs/dbraw/zinc/27/18/38/221271838.db2.gz JNYRWAIQTUNXCG-OVDNTTTISA-N -1 0 377.425 3.871 50 10 GHCARM CCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(c4ccccc4Cl)C3=O)ccc21 ZINC000017196083 221380722 /nfs/dbraw/zinc/38/07/22/221380722.db2.gz VYFMURNWQJFQTF-QINSGFPZSA-N -1 0 395.846 3.593 50 10 GHCARM CCCOc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000004819466 136196695 /nfs/dbraw/zinc/19/66/95/136196695.db2.gz FVPDMQKBGSCKEU-SFQUDFHCSA-N -1 0 395.371 3.890 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(O)cc1 ZINC000016994650 136202044 /nfs/dbraw/zinc/20/20/44/136202044.db2.gz YNGKDPLQOXRAQT-ZSOIEALJSA-N -1 0 376.290 3.918 50 10 GHCARM CN(C)c1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000001153655 570249537 /nfs/dbraw/zinc/24/95/37/570249537.db2.gz DDEGQKVGIPJIME-FKKWJZCKSA-N -1 0 395.846 3.629 50 10 GHCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c(OC)c1 ZINC000023402575 570361413 /nfs/dbraw/zinc/36/14/13/570361413.db2.gz BTFFHRPQBYDBKY-WQRHYEAKSA-N -1 0 399.878 3.656 50 10 GHCARM CSC1=NSC2=NC(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)C(=N)N12 ZINC000004971105 570386420 /nfs/dbraw/zinc/38/64/20/570386420.db2.gz DTUHMUXFIJGITD-UYEBYYQHSA-N -1 0 387.273 3.639 50 10 GHCARM CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000004680109 570392556 /nfs/dbraw/zinc/39/25/56/570392556.db2.gz XECZFUXVSQMNCW-COYFKBPASA-N -1 0 378.428 3.839 50 10 GHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002195949 570442111 /nfs/dbraw/zinc/44/21/11/570442111.db2.gz FTUMZFGDFHFZCL-DNXIFWLFSA-N -1 0 395.465 3.590 50 10 GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000005476639 570607266 /nfs/dbraw/zinc/60/72/66/570607266.db2.gz COBYJGYKXANVBO-UPJWGTAASA-N -1 0 391.489 3.655 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CN=c1[nH]c2ccc(Cl)cc2s1 ZINC000005603847 570668212 /nfs/dbraw/zinc/66/82/12/570668212.db2.gz HFVYFGPSZUCIDK-XFXZXTDPSA-N -1 0 398.831 3.529 50 10 GHCARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c([N+](=O)[O-])c1 ZINC000100929772 570781004 /nfs/dbraw/zinc/78/10/04/570781004.db2.gz UWLFBZWGUYYAER-BOPFTXTBSA-N -1 0 380.404 3.939 50 10 GHCARM CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccnc3)C2=O)cc1Cl ZINC000004682275 570829089 /nfs/dbraw/zinc/82/90/89/570829089.db2.gz ATNCNVASFPJZIE-KMHUVPDISA-N -1 0 399.834 3.579 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000002283474 854748501 /nfs/dbraw/zinc/74/85/01/854748501.db2.gz BTKYYBAYTYEVGS-YRNVUSSQSA-N -1 0 393.833 3.981 50 10 GHCARM O=c1ccc2ccc([O-])c(CN3CCCN(Cc4ccccc4Cl)C3)c2o1 ZINC000019330407 860192887 /nfs/dbraw/zinc/19/28/87/860192887.db2.gz YEGNYWLTWMWQTI-UHFFFAOYSA-N -1 0 384.863 3.817 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])o1 ZINC000001301541 212233690 /nfs/dbraw/zinc/23/36/90/212233690.db2.gz ARYRBCNUKOYMQZ-YRNVUSSQSA-N -1 0 377.765 3.513 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000000974626 212201460 /nfs/dbraw/zinc/20/14/60/212201460.db2.gz MHRABWCKJSVDSK-NTUHNPAUSA-N -1 0 379.846 3.886 50 10 GHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)cc1 ZINC000005023970 220812628 /nfs/dbraw/zinc/81/26/28/220812628.db2.gz PRCQQUJSDDYVGE-UYRXBGFRSA-N -1 0 378.428 3.875 50 10 GHCARM C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000005429131 220868910 /nfs/dbraw/zinc/86/89/10/220868910.db2.gz MUFFOAIRBWYSLL-PFMRQGHBSA-N -1 0 377.418 3.760 50 10 GHCARM COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1O ZINC000012565160 221208481 /nfs/dbraw/zinc/20/84/81/221208481.db2.gz MZAQEGZNQJSDIL-NVNXTCNLSA-N -1 0 387.438 3.505 50 10 GHCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@H](c2ccc(F)cc2)C1)CCC3 ZINC000012408690 221190462 /nfs/dbraw/zinc/19/04/62/221190462.db2.gz WXQZFFUCQUDMEG-INIZCTEOSA-N -1 0 378.403 3.874 50 10 GHCARM COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)ccc1OCC(=O)[O-] ZINC000012608060 221214270 /nfs/dbraw/zinc/21/42/70/221214270.db2.gz IKNXSMXFYRBJHP-YVLHZVERSA-N -1 0 398.440 3.549 50 10 GHCARM Cc1cc2oc(=O)c(C)c(C)c2c([O-])c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1 ZINC000013683563 221280870 /nfs/dbraw/zinc/28/08/70/221280870.db2.gz KJLMXSPHPDUEJQ-KRWDZBQOSA-N -1 0 391.471 3.929 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000013940021 221293273 /nfs/dbraw/zinc/29/32/73/221293273.db2.gz GFUIKQHXBJHLSK-ATVHPVEESA-N -1 0 376.343 3.752 50 10 GHCARM COc1ccc(NC2=NC(=O)C(=Cc3ccc(O[C@H](C)C(=O)[O-])cc3)S2)cc1 ZINC000016907115 221374129 /nfs/dbraw/zinc/37/41/29/221374129.db2.gz HBCBESGIZJPHKH-PBSOMRJOSA-N -1 0 398.440 3.630 50 10 GHCARM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cc(Cl)ccc1Cl ZINC000055679274 132446956 /nfs/dbraw/zinc/44/69/56/132446956.db2.gz CYBYULDVPTWHEF-UHFFFAOYSA-N -1 0 387.288 3.631 50 10 GHCARM Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c(C)n1-c1ccccc1F ZINC000065553086 222134114 /nfs/dbraw/zinc/13/41/14/222134114.db2.gz ZRRYISAENZRATB-UHFFFAOYSA-N -1 0 392.390 3.829 50 10 GHCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C1CC1 ZINC000001133455 570246560 /nfs/dbraw/zinc/24/65/60/570246560.db2.gz WJLKOSWEKXVHGR-LICLKQGHSA-N -1 0 397.862 3.755 50 10 GHCARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1ccc(Br)cn1 ZINC000100149019 570307917 /nfs/dbraw/zinc/30/79/17/570307917.db2.gz NYSBNLWCLNJVPJ-NTEUORMPSA-N -1 0 375.201 3.702 50 10 GHCARM COc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2cccs2)cc1 ZINC000005000377 570393026 /nfs/dbraw/zinc/39/30/26/570393026.db2.gz QSWHOCJGTSMWNF-UHFFFAOYSA-N -1 0 384.457 3.881 50 10 GHCARM COc1ccccc1/C=C1/SC(=S)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000032707945 570750533 /nfs/dbraw/zinc/75/05/33/570750533.db2.gz PMZQLQGQIFIKPD-OVCLIPMQSA-N -1 0 387.438 3.505 50 10 GHCARM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(C(=O)N(C)C)cc1 ZINC000101114401 570814578 /nfs/dbraw/zinc/81/45/78/570814578.db2.gz MLQXMFRQWJWJIV-DEDYPNTBSA-N -1 0 376.460 3.724 50 10 GHCARM COc1cc(C=C2SC(Nc3ccccc3C)=NC2=O)ccc1OCC(=O)[O-] ZINC000012545691 927089420 /nfs/dbraw/zinc/08/94/20/927089420.db2.gz NWIZDYOPPOQIOO-YVLHZVERSA-N -1 0 398.440 3.549 50 10 GHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000001201874 212228273 /nfs/dbraw/zinc/22/82/73/212228273.db2.gz IWYAWJVBWPHUEW-KGENOOAVSA-N -1 0 388.398 3.866 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000000967017 212199397 /nfs/dbraw/zinc/19/93/97/212199397.db2.gz XRUZQMALKZLVGA-ATVHPVEESA-N -1 0 399.493 3.942 50 10 GHCARM COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000012468209 221198753 /nfs/dbraw/zinc/19/87/53/221198753.db2.gz YYJPISKOPJUFCR-OQLLNIDSSA-N -1 0 399.449 3.577 50 10 GHCARM C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCCCCC(=O)[O-])C3=O)ccc2O1 ZINC000016810412 221371704 /nfs/dbraw/zinc/37/17/04/221371704.db2.gz FLHPZLAWEWJMOP-COOUDCDJSA-N -1 0 391.514 3.856 50 10 GHCARM COc1ccc(NC2=NC(=O)C(=Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)S2)cc1 ZINC000016907113 221373937 /nfs/dbraw/zinc/37/39/37/221373937.db2.gz HBCBESGIZJPHKH-OOIIIRTPSA-N -1 0 398.440 3.630 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)SC1=S ZINC000044126734 221950649 /nfs/dbraw/zinc/95/06/49/221950649.db2.gz GSYXELQFWVQDRP-SSZFMOIBSA-N -1 0 390.530 3.743 50 10 GHCARM O=C1C[C@H](c2ccco2)c2c(c(O)c([O-])c3c(=O)cc(-c4ccccc4)oc32)O1 ZINC000096115436 222382902 /nfs/dbraw/zinc/38/29/02/222382902.db2.gz OYYMXKIAVDZMDR-GFCCVEGCSA-N -1 0 390.347 3.905 50 10 biogenic GHCARM Cn1c(=O)c(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc2ccccc21 ZINC000218199410 570327568 /nfs/dbraw/zinc/32/75/68/570327568.db2.gz HHASOULQBVQRSJ-UHFFFAOYSA-N -1 0 398.378 3.787 50 10 GHCARM O=C1c2ccccc2C(=O)c2c1cccc2S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000004181481 570361715 /nfs/dbraw/zinc/36/17/15/570361715.db2.gz BMDKJUYFZDKUEZ-UHFFFAOYSA-N -1 0 397.839 3.916 50 10 GHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000005429134 570591840 /nfs/dbraw/zinc/59/18/40/570591840.db2.gz MUFFOAIRBWYSLL-MBBDXHFBSA-N -1 0 377.418 3.760 50 10 GHCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000004674071 570819852 /nfs/dbraw/zinc/81/98/52/570819852.db2.gz LVCLATWSRQAEOD-CYVLTUHYSA-N -1 0 389.455 3.652 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000006474217 570923295 /nfs/dbraw/zinc/92/32/95/570923295.db2.gz XKYOTPNVJLREHV-NTEUORMPSA-N -1 0 377.418 3.762 50 10 GHCARM CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(Cl)cc4)coc32)CC1 ZINC000019359808 570979680 /nfs/dbraw/zinc/97/96/80/570979680.db2.gz TYFNOINQPUWVQT-UHFFFAOYSA-N -1 0 384.863 3.566 50 10 biogenic GHCARM COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000016425780 571047330 /nfs/dbraw/zinc/04/73/30/571047330.db2.gz AXCHZRHSKGTLIT-LZJOCLMNSA-N -1 0 379.412 3.763 50 10 GHCARM CCOc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000002993202 848635470 /nfs/dbraw/zinc/63/54/70/848635470.db2.gz XFGORAOOZWWQKK-NTEUORMPSA-N -1 0 377.227 3.854 50 10 GHCARM Cc1oc2c(ccc([O-])c2C[NH2+]CCCC(=O)[O-])c(=O)c1-c1ccc(F)cc1 ZINC000020111158 860489552 /nfs/dbraw/zinc/48/95/52/860489552.db2.gz GVVAINFSXNMLNU-UHFFFAOYSA-N -1 0 385.391 3.568 50 10 biogenic GHCARM CCN(CC)c1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000097993522 916049320 /nfs/dbraw/zinc/04/93/20/916049320.db2.gz KLEVOVNUDBVICA-SSZFMOIBSA-N -1 0 389.455 3.885 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S ZINC000000967109 212199613 /nfs/dbraw/zinc/19/96/13/212199613.db2.gz DHUZZZSRYGMFNN-MHWRWJLKSA-N -1 0 385.466 3.551 50 10 GHCARM COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002174717 220506802 /nfs/dbraw/zinc/50/68/02/220506802.db2.gz IECBZYLFMOFUQB-YVLHZVERSA-N -1 0 397.814 3.915 50 10 GHCARM C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCCCCC(=O)[O-])C3=O)ccc2O1 ZINC000002342312 220524005 /nfs/dbraw/zinc/52/40/05/220524005.db2.gz FLHPZLAWEWJMOP-PILJQMSFSA-N -1 0 391.514 3.856 50 10 GHCARM CC(C)COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000015012822 221325788 /nfs/dbraw/zinc/32/57/88/221325788.db2.gz AMWOPXHDAFYJLC-WQRHYEAKSA-N -1 0 398.459 3.692 50 10 GHCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1cc2c(cc1Cl)OCO2 ZINC000016160876 221358519 /nfs/dbraw/zinc/35/85/19/221358519.db2.gz ZTLZSSSFEILDFL-NSIKDUERSA-N -1 0 384.775 3.573 50 10 GHCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1 ZINC000001174670 136196236 /nfs/dbraw/zinc/19/62/36/136196236.db2.gz DZWCAVIQLACTJD-MDWZMJQESA-N -1 0 391.210 3.668 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1C ZINC000002216274 136196344 /nfs/dbraw/zinc/19/63/44/136196344.db2.gz ONAFEDPJKXTTEF-XMHGGMMESA-N -1 0 385.423 3.761 50 10 GHCARM Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000013774753 136201387 /nfs/dbraw/zinc/20/13/87/136201387.db2.gz XTNJBRGCUWBAPR-YBEGLDIGSA-N -1 0 379.803 3.796 50 10 GHCARM COc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)c(C)c3)c2=O)c([N+](=O)[O-])c1 ZINC000100044307 570265408 /nfs/dbraw/zinc/26/54/08/570265408.db2.gz UWLFBZWGUYYAER-GZTJUZNOSA-N -1 0 380.404 3.939 50 10 GHCARM Cc1cccc(N2C(=O)/C(=C\c3cccc(OCC(=O)[O-])c3)SC2=S)c1 ZINC000004819840 570408547 /nfs/dbraw/zinc/40/85/47/570408547.db2.gz MVGWVSIVUOWXPR-MHWRWJLKSA-N -1 0 385.466 3.864 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S ZINC000001805112 570426179 /nfs/dbraw/zinc/42/61/79/570426179.db2.gz MHRABWCKJSVDSK-QPEQYQDCSA-N -1 0 379.846 3.886 50 10 GHCARM COc1ccc(OC)c(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)c1 ZINC000054164268 570451318 /nfs/dbraw/zinc/45/13/18/570451318.db2.gz URZWHZJYHZLDFO-YVLHZVERSA-N -1 0 398.440 3.793 50 10 GHCARM COc1cc([N+](=O)[O-])cc(C=C2SC(Nc3ccc(F)cc3)=NC2=O)c1[O-] ZINC000006905960 570498587 /nfs/dbraw/zinc/49/85/87/570498587.db2.gz QMXAPCRRKBXBND-VGOFMYFVSA-N -1 0 389.364 3.531 50 10 GHCARM CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1 ZINC000002702114 570505690 /nfs/dbraw/zinc/50/56/90/570505690.db2.gz NRXHDDJWEPNCLI-YBEGLDIGSA-N -1 0 398.465 3.749 50 10 GHCARM COc1cccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1OC ZINC000002253036 570542860 /nfs/dbraw/zinc/54/28/60/570542860.db2.gz LQIIUTOFNVIWSN-SDNWHVSQSA-N -1 0 395.502 3.550 50 10 GHCARM Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)[N-]C2=S)c1 ZINC000001133480 570756685 /nfs/dbraw/zinc/75/66/85/570756685.db2.gz JKQBOFBDHYDVKE-SFQUDFHCSA-N -1 0 381.501 3.691 50 10 GHCARM COc1ccc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)cc1OC ZINC000035042557 570816402 /nfs/dbraw/zinc/81/64/02/570816402.db2.gz PNLXGCMOANAONS-RQZCQDPDSA-N -1 0 398.440 3.793 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)c1C ZINC000004513297 570826244 /nfs/dbraw/zinc/82/62/44/570826244.db2.gz MVIDNXXZGAWGFL-LGMDPLHJSA-N -1 0 393.443 3.553 50 10 GHCARM CCCOc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000005952138 842065113 /nfs/dbraw/zinc/06/51/13/842065113.db2.gz SNRASAHHFOBOHU-WQRHYEAKSA-N -1 0 394.427 3.988 50 10 GHCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000001192750 212226626 /nfs/dbraw/zinc/22/66/26/212226626.db2.gz LLHHPEPZXVMQSR-OQLLNIDSSA-N -1 0 396.399 3.528 50 10 GHCARM CN(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000001084631 212215021 /nfs/dbraw/zinc/21/50/21/212215021.db2.gz DKSVZDXHTUQSSD-NTEUORMPSA-N -1 0 376.243 3.521 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccs3)cc2F)SC1=S ZINC000055038005 212132093 /nfs/dbraw/zinc/13/20/93/212132093.db2.gz BNNLXOWWVUFLEC-NTUHNPAUSA-N -1 0 379.459 3.840 50 10 GHCARM CCc1cccc(C)c1NC=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000002402428 220529841 /nfs/dbraw/zinc/52/98/41/220529841.db2.gz GYFFKNTWCHPHSX-ATVHPVEESA-N -1 0 377.444 3.753 50 10 GHCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-])CCCC2 ZINC000004651478 220741075 /nfs/dbraw/zinc/74/10/75/220741075.db2.gz FNFQUUVVMMQRLD-UONOGXRCSA-N -1 0 391.489 3.799 50 10 GHCARM COc1ccccc1[C@H]1CC(c2c(C)cc3oc(=O)c(C)c(C)c3c2[O-])=NN1 ZINC000012321721 221180848 /nfs/dbraw/zinc/18/08/48/221180848.db2.gz TXYLTMWFXLNDPD-OAHLLOKOSA-N -1 0 378.428 3.871 50 10 GHCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000012412861 221190183 /nfs/dbraw/zinc/19/01/83/221190183.db2.gz FSMXTXYEMXAQIB-XFFZJAGNSA-N -1 0 389.202 3.573 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000013551991 221272632 /nfs/dbraw/zinc/27/26/32/221272632.db2.gz LBJWOFLODUDDOT-AQTBWJFISA-N -1 0 391.814 3.797 50 10 GHCARM O=C([O-])COc1cccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 ZINC000016399515 221362196 /nfs/dbraw/zinc/36/21/96/221362196.db2.gz XVDTWXMTENSYSD-GDNBJRDFSA-N -1 0 377.487 3.684 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 ZINC000013571712 136201118 /nfs/dbraw/zinc/20/11/18/136201118.db2.gz XKRCJJKKRRTTHX-ATVHPVEESA-N -1 0 376.343 3.752 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)cc1 ZINC000000759403 527055405 /nfs/dbraw/zinc/05/54/05/527055405.db2.gz KQIQZWQPPDINEY-KPKJPENVSA-N -1 0 393.251 3.530 50 10 GHCARM COc1ccc(-c2nnc(N=Cc3c(C)[n-]n(-c4ccccc4)c3=O)s2)cc1 ZINC000100503629 570272744 /nfs/dbraw/zinc/27/27/44/570272744.db2.gz HFASGLQNLZAFLF-ATVHPVEESA-N -1 0 391.456 3.932 50 10 GHCARM CCCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000002086586 570274228 /nfs/dbraw/zinc/27/42/28/570274228.db2.gz DLCAKYXPUCYWGE-OLZOCXBDSA-N -1 0 391.489 3.799 50 10 GHCARM C=C(c1ccc(Br)cc1)C1SC(=S)N(CCC(=O)[O-])C1=O ZINC000002700365 570295417 /nfs/dbraw/zinc/29/54/17/570295417.db2.gz CXJJYYLCGFCFGW-WQLSENKSSA-N -1 0 386.292 3.515 50 10 GHCARM Cc1ccccc1[N-]S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000004289694 570365751 /nfs/dbraw/zinc/36/57/51/570365751.db2.gz QAPXKTJOMDCGOK-UHFFFAOYSA-N -1 0 377.421 3.571 50 10 GHCARM O=C([O-])CCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000005032414 570401333 /nfs/dbraw/zinc/40/13/33/570401333.db2.gz NYWSZAIKDAQTCQ-ZROIWOOFSA-N -1 0 377.418 3.762 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000004983719 570421573 /nfs/dbraw/zinc/42/15/73/570421573.db2.gz LRKLZUNILLTGKW-XFXZXTDPSA-N -1 0 376.199 3.572 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000005020616 570424274 /nfs/dbraw/zinc/42/42/74/570424274.db2.gz UFWMPQNXIXEGJU-UPJWGTAASA-N -1 0 391.489 3.655 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1Cl ZINC000005603843 570668133 /nfs/dbraw/zinc/66/81/33/570668133.db2.gz XQLJSYXJGKFYHY-XFXZXTDPSA-N -1 0 376.199 3.572 50 10 GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000251587275 570905616 /nfs/dbraw/zinc/90/56/16/570905616.db2.gz COBYJGYKXANVBO-FRRDWIJNSA-N -1 0 391.489 3.655 50 10 GHCARM CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002906330 861774024 /nfs/dbraw/zinc/77/40/24/861774024.db2.gz JVVJKYWXMVLYDK-LCFDYFRESA-N -1 0 387.935 3.748 50 10 GHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1O ZINC000038179766 856001383 /nfs/dbraw/zinc/00/13/83/856001383.db2.gz CEDSYPZJOAMCEL-XFXZXTDPSA-N -1 0 386.791 3.951 50 10 GHCARM COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000001066969 212212033 /nfs/dbraw/zinc/21/20/33/212212033.db2.gz MTYSLPMEMLAHCJ-QGOAFFKASA-N -1 0 386.407 3.823 50 10 GHCARM CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000004291925 220701802 /nfs/dbraw/zinc/70/18/02/220701802.db2.gz JXLFVINTYJJOLS-NWDGAFQWSA-N -1 0 379.478 3.633 50 10 GHCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@@H](c2cccc(F)c2)C1)CCC3 ZINC000012321914 221180918 /nfs/dbraw/zinc/18/09/18/221180918.db2.gz LAJDKZJYILAEML-MRXNPFEDSA-N -1 0 378.403 3.874 50 10 GHCARM O=C([O-])COc1cccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1 ZINC000013517380 221269954 /nfs/dbraw/zinc/26/99/54/221269954.db2.gz UPIDMWRRSQWOBA-MHWRWJLKSA-N -1 0 385.466 3.551 50 10 GHCARM COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000016441123 221363729 /nfs/dbraw/zinc/36/37/29/221363729.db2.gz UEIOGLYZGLKTDM-ZROIWOOFSA-N -1 0 388.426 3.715 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)s1 ZINC000004754832 136194003 /nfs/dbraw/zinc/19/40/03/136194003.db2.gz VGISSPXECNEJOX-XFFZJAGNSA-N -1 0 383.281 3.886 50 10 GHCARM COc1cc(C)c(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1C(C)C ZINC000002968836 570523459 /nfs/dbraw/zinc/52/34/59/570523459.db2.gz TWDGTZQVKSJPAI-WOJGMQOQSA-N -1 0 396.418 3.933 50 10 GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 ZINC000005555057 570633468 /nfs/dbraw/zinc/63/34/68/570633468.db2.gz VYLVQHCHCKOKFL-VIZOYTHASA-N -1 0 385.422 3.519 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000001164149 570759719 /nfs/dbraw/zinc/75/97/19/570759719.db2.gz POVVSUYVJYKDHW-XNTDXEJSSA-N -1 0 395.371 3.673 50 10 GHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC ZINC000017027421 570937410 /nfs/dbraw/zinc/93/74/10/570937410.db2.gz LJWSQZLBPXRAKP-OQLLNIDSSA-N -1 0 396.399 3.528 50 10 GHCARM CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000002278963 856362108 /nfs/dbraw/zinc/36/21/08/856362108.db2.gz IGNSBUAPDSWGHL-RVDMUPIBSA-N -1 0 393.443 3.632 50 10 GHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008995107 856694355 /nfs/dbraw/zinc/69/43/55/856694355.db2.gz VWFRDTYWSMYKIC-PTNGSMBKSA-N -1 0 375.384 3.694 50 10 biogenic GHCARM C[C@@H]1CCCN(c2cc(NCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)C1 ZINC000002457327 859913578 /nfs/dbraw/zinc/91/35/78/859913578.db2.gz RFZZSSUCGJTGDU-GFCCVEGCSA-N -1 0 391.427 3.772 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 ZINC000002222769 877546797 /nfs/dbraw/zinc/54/67/97/877546797.db2.gz XKRCJJKKRRTTHX-SFQUDFHCSA-N -1 0 376.343 3.752 50 10 GHCARM CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000001505519 212247882 /nfs/dbraw/zinc/24/78/82/212247882.db2.gz ITVKTXKTHISNKR-WJDWOHSUSA-N -1 0 384.482 3.857 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000001186232 212226554 /nfs/dbraw/zinc/22/65/54/212226554.db2.gz ZFKNCNVXZQVOLD-GZTJUZNOSA-N -1 0 394.333 3.891 50 10 GHCARM FC(F)(F)c1cccc(NC(=S)NN=c2nccc(C(F)(F)F)[n-]2)c1 ZINC000001028181 212206850 /nfs/dbraw/zinc/20/68/50/212206850.db2.gz VRDLLSPRAMEJJU-UHFFFAOYSA-N -1 0 381.305 3.828 50 10 GHCARM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000014010715 221295851 /nfs/dbraw/zinc/29/58/51/221295851.db2.gz NDVDCAQGOMRTMP-UYRXBGFRSA-N -1 0 386.407 3.823 50 10 GHCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/C=C/c1ccccc1 ZINC000014011069 221296094 /nfs/dbraw/zinc/29/60/94/221296094.db2.gz DWKJOMUITFWORA-MBXCTOFRSA-N -1 0 397.228 3.672 50 10 GHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 ZINC000033410527 570312798 /nfs/dbraw/zinc/31/27/98/570312798.db2.gz FZGBEUAERNFIJU-LICLKQGHSA-N -1 0 399.878 3.662 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 ZINC000006191869 570324374 /nfs/dbraw/zinc/32/43/74/570324374.db2.gz INJJOSSFKRLYRY-OVCLIPMQSA-N -1 0 385.422 3.519 50 10 GHCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)Cc1ccccc1-2 ZINC000006229378 570344686 /nfs/dbraw/zinc/34/46/86/570344686.db2.gz GHVNKFXAWRHKMP-BKUYFWCQSA-N -1 0 380.403 3.924 50 10 GHCARM Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)s1 ZINC000002760880 570512035 /nfs/dbraw/zinc/51/20/35/570512035.db2.gz PZRRONOPWBQAOE-UHFFFAOYSA-N -1 0 381.460 3.889 50 10 GHCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc(N2CCCC2)cc1 ZINC000006898557 570695030 /nfs/dbraw/zinc/69/50/30/570695030.db2.gz XRQBDHMIIZYPAN-UYRXBGFRSA-N -1 0 393.418 3.928 50 10 GHCARM COc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000004356812 570696505 /nfs/dbraw/zinc/69/65/05/570696505.db2.gz PMZQLQGQIFIKPD-NVNXTCNLSA-N -1 0 387.438 3.505 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S ZINC000001059590 570749491 /nfs/dbraw/zinc/74/94/91/570749491.db2.gz LTJCAOUYCWAOSI-YBEGLDIGSA-N -1 0 385.466 3.551 50 10 GHCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000004465188 570794289 /nfs/dbraw/zinc/79/42/89/570794289.db2.gz QDDFYLVPAQGIBI-MLPAPPSSSA-N -1 0 384.775 3.884 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 ZINC000002206981 571004610 /nfs/dbraw/zinc/00/46/10/571004610.db2.gz XKZJZAKHPDMEBI-ZROIWOOFSA-N -1 0 381.438 3.667 50 10 GHCARM CC1CCN(c2cc(NCC(=O)[O-])c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000002457323 859913295 /nfs/dbraw/zinc/91/32/95/859913295.db2.gz QFXVWUMCSVWFTQ-UHFFFAOYSA-N -1 0 391.427 3.772 50 10 GHCARM C[C@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2coc3ccccc3c2=O)C1=O ZINC000020332170 860547804 /nfs/dbraw/zinc/54/78/04/860547804.db2.gz HFCIWXHMGUJBFK-GPLLRDDGSA-N -1 0 388.379 3.856 50 10 GHCARM [O-]c1c2oc3c(nc4n[nH]cc4c3-c3ccc4c(c3)OCCO4)c2ccc1O ZINC000217728714 894301930 /nfs/dbraw/zinc/30/19/30/894301930.db2.gz ACEOJLYHHFGPIY-UHFFFAOYSA-N -1 0 375.340 3.707 50 10 biogenic GHCARM CCOc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000001766421 212256321 /nfs/dbraw/zinc/25/63/21/212256321.db2.gz PQYWGMWQZITRDB-NTCAYCPXSA-N -1 0 379.503 3.932 50 10 GHCARM COc1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000001236394 212232335 /nfs/dbraw/zinc/23/23/35/212232335.db2.gz ICUTYELDIHZELF-WLSWZUKCSA-N -1 0 399.493 3.592 50 10 GHCARM Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)c1 ZINC000001211878 212230124 /nfs/dbraw/zinc/23/01/24/212230124.db2.gz NQSFRABFSKRKNC-XNTDXEJSSA-N -1 0 399.244 3.732 50 10 GHCARM C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S ZINC000005423535 220867654 /nfs/dbraw/zinc/86/76/54/220867654.db2.gz VFWZCEBSMLJBQZ-MBBDXHFBSA-N -1 0 377.418 3.760 50 10 GHCARM COc1ccccc1[C@@H]1CC(c2c(C)cc3oc(=O)c(C)c(C)c3c2[O-])=NN1 ZINC000012321720 221180727 /nfs/dbraw/zinc/18/07/27/221180727.db2.gz TXYLTMWFXLNDPD-HNNXBMFYSA-N -1 0 378.428 3.871 50 10 GHCARM COc1ccc(N2CCN([C@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)cc1 ZINC000020722992 570276416 /nfs/dbraw/zinc/27/64/16/570276416.db2.gz JWRAFCAHRGEZFK-FQEVSTJZSA-N -1 0 399.878 3.778 50 10 GHCARM CCc1cccc(CC)c1NC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000002990346 570323683 /nfs/dbraw/zinc/32/36/83/570323683.db2.gz ROILGRAIUBVNLS-LGMDPLHJSA-N -1 0 377.444 3.699 50 10 GHCARM CC[C@@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21)C(=O)[O-] ZINC000005467880 570603450 /nfs/dbraw/zinc/60/34/50/570603450.db2.gz IJAAWTXJFCQYFT-YJYMSZOUSA-N -1 0 397.427 3.880 50 10 GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000005548083 570630894 /nfs/dbraw/zinc/63/08/94/570630894.db2.gz RRYMXVDNEVNWPH-UKTHLTGXSA-N -1 0 390.226 3.881 50 10 GHCARM O=S(=O)([N-]c1ccc(Cl)c(C(F)(F)F)c1)c1cccc2nonc21 ZINC000005677791 570801293 /nfs/dbraw/zinc/80/12/93/570801293.db2.gz FBYIADKVBGZDGW-UHFFFAOYSA-N -1 0 377.731 3.696 50 10 GHCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000005900760 570802665 /nfs/dbraw/zinc/80/26/65/570802665.db2.gz GQOOZMOWOQJGAZ-XSFVSMFZSA-N -1 0 388.398 3.866 50 10 GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000251587277 570905475 /nfs/dbraw/zinc/90/54/75/570905475.db2.gz COBYJGYKXANVBO-JHJVBQTASA-N -1 0 391.489 3.655 50 10 GHCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000005649281 887756042 /nfs/dbraw/zinc/75/60/42/887756042.db2.gz LBNFBZKJINTBOD-RIYZIHGNSA-N -1 0 377.625 3.564 50 10 GHCARM Cc1ccc(COc2ccccc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000001476365 212247841 /nfs/dbraw/zinc/24/78/41/212247841.db2.gz MYFIAIPDVUBWIK-YVLHZVERSA-N -1 0 399.493 3.860 50 10 GHCARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)c(C)s2)cc1 ZINC000005392691 220865376 /nfs/dbraw/zinc/86/53/76/220865376.db2.gz QUEAWDDPHBFBLN-UHFFFAOYSA-N -1 0 387.486 3.878 50 10 GHCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000008743693 221054093 /nfs/dbraw/zinc/05/40/93/221054093.db2.gz OMMNPDSPLXLNKE-JXAWBTAJSA-N -1 0 393.443 3.703 50 10 GHCARM CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 ZINC000012412844 221190638 /nfs/dbraw/zinc/19/06/38/221190638.db2.gz QLZKGCFIIUJKMX-YBEGLDIGSA-N -1 0 383.835 3.910 50 10 GHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000002605413 570292259 /nfs/dbraw/zinc/29/22/59/570292259.db2.gz AVAPORBFZMBDCR-GZTJUZNOSA-N -1 0 377.375 3.671 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000002892955 570317448 /nfs/dbraw/zinc/31/74/48/570317448.db2.gz UZBHWDJTUJBKLH-XFXZXTDPSA-N -1 0 376.199 3.572 50 10 GHCARM Cc1ccccc1N1C(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)SC1=S ZINC000003003578 570325733 /nfs/dbraw/zinc/32/57/33/570325733.db2.gz LMKLIEIJPCWWHF-YBEGLDIGSA-N -1 0 385.466 3.864 50 10 GHCARM O=C([O-])c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1O ZINC000005346895 570561502 /nfs/dbraw/zinc/56/15/02/570561502.db2.gz IJVLARPSLUBHPM-APSNUPSMSA-N -1 0 396.449 3.978 50 10 GHCARM COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000005824062 570794655 /nfs/dbraw/zinc/79/46/55/570794655.db2.gz IECBZYLFMOFUQB-LICLKQGHSA-N -1 0 397.814 3.915 50 10 GHCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1O ZINC000038165439 855978307 /nfs/dbraw/zinc/97/83/07/855978307.db2.gz QFUPNLSFUXDCCI-GDNBJRDFSA-N -1 0 380.400 3.914 50 10 GHCARM O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(Cl)c([N+](=O)[O-])cc3Cl)o2)C(=O)N1 ZINC000001170619 870830644 /nfs/dbraw/zinc/83/06/44/870830644.db2.gz ROYZFYMZQAXLQO-UHFFFAOYSA-N -1 0 396.142 3.751 50 10 GHCARM Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)[nH]1 ZINC000015837120 1021292147 /nfs/dbraw/zinc/29/21/47/1021292147.db2.gz IOAIOWJCDWSYTP-CPSFFCFKSA-N -1 0 394.283 3.770 50 10 GHCARM CCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)ccc21 ZINC000001846843 212258863 /nfs/dbraw/zinc/25/88/63/212258863.db2.gz QTUUCIRHIZAKGL-AQTBWJFISA-N -1 0 375.428 3.571 50 10 GHCARM COc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S ZINC000001302432 212233863 /nfs/dbraw/zinc/23/38/63/212233863.db2.gz XBXSMLAXYWZVGC-PTNGSMBKSA-N -1 0 391.452 3.859 50 10 GHCARM Cc1ccc2nsnc2c1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000000792598 212181620 /nfs/dbraw/zinc/18/16/20/212181620.db2.gz SDRUAHQSLKWFBJ-UHFFFAOYSA-N -1 0 384.280 3.563 50 10 GHCARM Cc1ccc(O)c(CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000000793994 212181247 /nfs/dbraw/zinc/18/12/47/212181247.db2.gz UIXBPJVFKXJIDJ-UHFFFAOYSA-N -1 0 375.475 3.570 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccccc3F)s2)SC1=S ZINC000096997902 212158269 /nfs/dbraw/zinc/15/82/69/212158269.db2.gz WVVWZXRTOQJJFD-QPEQYQDCSA-N -1 0 379.459 3.840 50 10 GHCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])CCC2 ZINC000002103071 220503747 /nfs/dbraw/zinc/50/37/47/220503747.db2.gz IBSWYWFRZRNCFM-NWDGAFQWSA-N -1 0 379.478 3.633 50 10 GHCARM CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1OC ZINC000005908078 220907164 /nfs/dbraw/zinc/90/71/64/220907164.db2.gz JWNBZZUWWUPJKC-YVLHZVERSA-N -1 0 380.400 3.598 50 10 GHCARM COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C(=O)[O-])cc1 ZINC000005825888 220900566 /nfs/dbraw/zinc/90/05/66/220900566.db2.gz YKLBUULVPFDCDT-GZTJUZNOSA-N -1 0 397.814 3.915 50 10 GHCARM CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000009434452 221081319 /nfs/dbraw/zinc/08/13/19/221081319.db2.gz VWDMVDVQNSTJMS-ATVHPVEESA-N -1 0 394.427 3.745 50 10 GHCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000009058751 221069120 /nfs/dbraw/zinc/06/91/20/221069120.db2.gz FPXCAUDIWGMIGL-WJDWOHSUSA-N -1 0 396.399 3.609 50 10 GHCARM CC1=NN(c2nnn[n-]2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000012412880 221190143 /nfs/dbraw/zinc/19/01/43/221190143.db2.gz NJBKCFLXUVWCAM-GHXNOFRVSA-N -1 0 389.202 3.573 50 10 GHCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC ZINC000016973081 221374385 /nfs/dbraw/zinc/37/43/85/221374385.db2.gz FUCHKFYISZXXFY-OQLLNIDSSA-N -1 0 396.399 3.528 50 10 GHCARM O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccccc1 ZINC000001172093 136196016 /nfs/dbraw/zinc/19/60/16/136196016.db2.gz MBYPQVDTGQJKOE-RCCKNPSSSA-N -1 0 398.418 3.932 50 10 GHCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\C=C\c2ccco2)SC1=S ZINC000027533574 221654341 /nfs/dbraw/zinc/65/43/41/221654341.db2.gz XUMNCGLQAXIZJU-QZPYEJFPSA-N -1 0 385.466 3.733 50 10 GHCARM COc1cc([N+](=O)[O-])ccc1N=Cc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000100535672 570272850 /nfs/dbraw/zinc/27/28/50/570272850.db2.gz YIOJYQDWEVBMMC-XNTDXEJSSA-N -1 0 386.795 3.975 50 10 GHCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000006166119 570279288 /nfs/dbraw/zinc/27/92/88/570279288.db2.gz SLUMYRNDCAWEKH-FLIBITNWSA-N -1 0 391.210 3.668 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(Br)s2)SC1=S ZINC000021323374 570290088 /nfs/dbraw/zinc/29/00/88/570290088.db2.gz TXNKHVLNWOLSCS-SOFGYWHQSA-N -1 0 392.321 3.577 50 10 GHCARM O=C([O-])COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 ZINC000002929784 570318730 /nfs/dbraw/zinc/31/87/30/570318730.db2.gz AIMOJVFIGVGHGV-ATVHPVEESA-N -1 0 399.493 3.594 50 10 GHCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)c(O)c1 ZINC000005067705 570410647 /nfs/dbraw/zinc/41/06/47/570410647.db2.gz FZGBEUAERNFIJU-YVLHZVERSA-N -1 0 399.878 3.662 50 10 GHCARM Cc1ccccc1N1C(=O)C(=Cc2cn(C)c3ccccc23)C(=O)[N-]C1=S ZINC000006898410 570695051 /nfs/dbraw/zinc/69/50/51/570695051.db2.gz ZCEOQMJLITZBEP-WJDWOHSUSA-N -1 0 375.453 3.729 50 10 GHCARM CCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)s1 ZINC000101039565 570787274 /nfs/dbraw/zinc/78/72/74/570787274.db2.gz XTSWRTKGGTWXGS-XYOKQWHBSA-N -1 0 392.282 3.582 50 10 GHCARM CCCC[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000002132696 570962000 /nfs/dbraw/zinc/96/20/00/570962000.db2.gz BFMLXWKWRCWUGE-GOSISDBHSA-N -1 0 381.428 3.899 50 10 biogenic GHCARM Cc1c(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cnn1C ZINC000095480897 860602877 /nfs/dbraw/zinc/60/28/77/860602877.db2.gz NXDBVGRQMDOYTB-UHFFFAOYSA-N -1 0 393.403 3.737 50 10 GHCARM CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)C(=O)O1 ZINC000001185735 212226993 /nfs/dbraw/zinc/22/69/93/212226993.db2.gz YMLZOMNPIWWXKZ-UHFFFAOYSA-N -1 0 384.384 3.891 50 10 GHCARM COC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(OC)cc2)cc1 ZINC000001148412 212223274 /nfs/dbraw/zinc/22/32/74/212223274.db2.gz ORMGQQHKNQQZJT-UHFFFAOYSA-N -1 0 379.412 3.957 50 10 biogenic GHCARM CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000004026504 212145661 /nfs/dbraw/zinc/14/56/61/212145661.db2.gz DWLSLOKNTKMQTC-RBZFPXEDSA-N -1 0 381.428 3.755 50 10 biogenic GHCARM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000008768252 221056561 /nfs/dbraw/zinc/05/65/61/221056561.db2.gz REOWMUIREMRCOU-LDADJPATSA-N -1 0 394.427 3.698 50 10 GHCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008972002 221067278 /nfs/dbraw/zinc/06/72/78/221067278.db2.gz JPCWPWYDAMTLCD-LICLKQGHSA-N -1 0 375.384 3.679 50 10 GHCARM CCCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000013511719 221269945 /nfs/dbraw/zinc/26/99/45/221269945.db2.gz YRQRKGYFTDOUBV-QGOAFFKASA-N -1 0 389.480 3.883 50 10 GHCARM COC(=O)C[C@@H](c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2)C(C)C ZINC000096221823 222397972 /nfs/dbraw/zinc/39/79/72/222397972.db2.gz FXNUPXSZXYWPKE-CYBMUJFWSA-N -1 0 398.411 3.880 50 10 biogenic GHCARM COc1ccc(/C=C/C=C2/C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000006076099 536596562 /nfs/dbraw/zinc/59/65/62/536596562.db2.gz XMGJHEMANGCLIB-SDQPKSGYSA-N -1 0 392.480 3.700 50 10 GHCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000005034466 570402299 /nfs/dbraw/zinc/40/22/99/570402299.db2.gz RVSGHJRMKCMCIP-KWPCUBQOSA-N -1 0 391.471 3.933 50 10 GHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC000006133304 570467064 /nfs/dbraw/zinc/46/70/64/570467064.db2.gz HMQYKMLRXIXARI-KFXIKWRMSA-N -1 0 387.457 3.723 50 10 GHCARM COc1cccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)c1 ZINC000003071885 570548083 /nfs/dbraw/zinc/54/80/83/570548083.db2.gz FRGLILMWKNDEJO-WISAJEAXSA-N -1 0 399.493 3.592 50 10 GHCARM COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1O ZINC000096603207 570775135 /nfs/dbraw/zinc/77/51/35/570775135.db2.gz RCQJWWJVZGUTMI-MKMNVTDBSA-N -1 0 386.791 3.559 50 10 GHCARM COc1cc(/C=C2/C(C)=NN(c3cccc(C(=O)[O-])c3)C2=O)ccc1OC(C)C ZINC000005719304 570891472 /nfs/dbraw/zinc/89/14/72/570891472.db2.gz STWZZCLUGZDJLV-ZDLGFXPLSA-N -1 0 394.427 3.987 50 10 GHCARM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000015659317 570906625 /nfs/dbraw/zinc/90/66/25/570906625.db2.gz OHSGJXJUWYJXHH-AQTBWJFISA-N -1 0 388.448 3.680 50 10 GHCARM CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S ZINC000002906332 861773813 /nfs/dbraw/zinc/77/38/13/861773813.db2.gz JVVJKYWXMVLYDK-HQQGHWSLSA-N -1 0 387.935 3.748 50 10 GHCARM CCCN(CCC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1 ZINC000004063524 862748352 /nfs/dbraw/zinc/74/83/52/862748352.db2.gz DVTAPCUAGQWSKN-HKWRFOASSA-N -1 0 381.451 3.914 50 10 GHCARM CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21)C(=O)[O-] ZINC000020111206 860489202 /nfs/dbraw/zinc/48/92/02/860489202.db2.gz IJAAWTXJFCQYFT-BFUOFWGJSA-N -1 0 397.427 3.880 50 10 biogenic GHCARM CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21)C(=O)[O-] ZINC000004026505 212146036 /nfs/dbraw/zinc/14/60/36/212146036.db2.gz DWLSLOKNTKMQTC-ZUOKHONESA-N -1 0 381.428 3.755 50 10 biogenic GHCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-])CCC2 ZINC000004662437 220742388 /nfs/dbraw/zinc/74/23/88/220742388.db2.gz FELSALOMWGPMNN-UONOGXRCSA-N -1 0 391.489 3.799 50 10 GHCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000009164994 221072657 /nfs/dbraw/zinc/07/26/57/221072657.db2.gz VKXNJUNDMSBRMN-OWBHPGMISA-N -1 0 399.447 3.652 50 10 GHCARM Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@@H](c2ccc(F)cc2)C1)CCC3 ZINC000012408689 221189924 /nfs/dbraw/zinc/18/99/24/221189924.db2.gz WXQZFFUCQUDMEG-MRXNPFEDSA-N -1 0 378.403 3.874 50 10 GHCARM Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C ZINC000013810248 221290525 /nfs/dbraw/zinc/29/05/25/221290525.db2.gz GMJSEXYFGNBLAV-WQLSENKSSA-N -1 0 392.242 3.820 50 10 GHCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1 ZINC000015013460 221326774 /nfs/dbraw/zinc/32/67/74/221326774.db2.gz WGKGBVCPRDPGJV-ATVHPVEESA-N -1 0 380.469 3.533 50 10 GHCARM COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc3ccccc32)C1=O ZINC000000758184 524321716 /nfs/dbraw/zinc/32/17/16/524321716.db2.gz RNHQMBAKSQVUCH-GHRIWEEISA-N -1 0 388.448 3.680 50 10 GHCARM O=c1c(-c2nc3ccccc3s2)coc2c1ccc([O-])c2CN1CCOCC1 ZINC000019904544 570228752 /nfs/dbraw/zinc/22/87/52/570228752.db2.gz PAYYMNNDABOJJL-UHFFFAOYSA-N -1 0 394.452 3.608 50 10 GHCARM CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000001134471 570246771 /nfs/dbraw/zinc/24/67/71/570246771.db2.gz BJWNOQDDEBRZPF-GZTJUZNOSA-N -1 0 381.501 3.573 50 10 GHCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])CCC2 ZINC000002103075 570274862 /nfs/dbraw/zinc/27/48/62/570274862.db2.gz IBSWYWFRZRNCFM-RYUDHWBXSA-N -1 0 379.478 3.633 50 10 GHCARM COc1ccc(N2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)cc1 ZINC000020722989 570276400 /nfs/dbraw/zinc/27/64/00/570276400.db2.gz JWRAFCAHRGEZFK-HXUWFJFHSA-N -1 0 399.878 3.778 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1[N+](=O)[O-] ZINC000002813030 570304484 /nfs/dbraw/zinc/30/44/84/570304484.db2.gz FEEYXBKGLKOBTP-PVZSTHCMSA-N -1 0 397.387 3.962 50 10 GHCARM Cc1ccc(C)n1-c1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000014372449 570309343 /nfs/dbraw/zinc/30/93/43/570309343.db2.gz KDGUEGUIAJJRBW-UHFFFAOYSA-N -1 0 392.484 3.664 50 10 GHCARM O=c1[nH]c2ccccc2cc1-c1c2c[nH]nc2nc2c3ccc(O)c([O-])c3oc21 ZINC000218331947 570331491 /nfs/dbraw/zinc/33/14/91/570331491.db2.gz KYLAWJZBWMIXHZ-UHFFFAOYSA-N -1 0 384.351 3.777 50 10 GHCARM Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)o1 ZINC000005025769 570399579 /nfs/dbraw/zinc/39/95/79/570399579.db2.gz PUQQWXTWUNERRA-LDADJPATSA-N -1 0 389.367 3.625 50 10 GHCARM COc1cccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)c1 ZINC000026771430 570428710 /nfs/dbraw/zinc/42/87/10/570428710.db2.gz FRGLILMWKNDEJO-QRYYFKOISA-N -1 0 399.493 3.592 50 10 GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000005476643 570607193 /nfs/dbraw/zinc/60/71/93/570607193.db2.gz COBYJGYKXANVBO-AGIUHOORSA-N -1 0 391.489 3.655 50 10 GHCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1 ZINC000033342696 570991727 /nfs/dbraw/zinc/99/17/27/570991727.db2.gz AHXCATBYGKOQHP-YVLHZVERSA-N -1 0 380.400 3.827 50 10 GHCARM COc1ccc(C=C2SC(Nc3cc(C(=O)[O-])ccc3C)=NC2=O)cc1OC ZINC000004193759 862854356 /nfs/dbraw/zinc/85/43/56/862854356.db2.gz PNLXGCMOANAONS-MFOYZWKCSA-N -1 0 398.440 3.793 50 10 GHCARM CCn1cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCCC3)C2=O)c2ccccc21 ZINC000001131903 918454026 /nfs/dbraw/zinc/45/40/26/918454026.db2.gz DTAVZMZAWVXDBW-QGOAFFKASA-N -1 0 379.460 3.846 50 10 GHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC000001210279 212229648 /nfs/dbraw/zinc/22/96/48/212229648.db2.gz HMQYKMLRXIXARI-CNYBTUBUSA-N -1 0 387.457 3.723 50 10 GHCARM COc1ncnc2c1N=C1CC(C)(C)CC(NCCCCCC(=O)[O-])=C1S2 ZINC000008775301 221058308 /nfs/dbraw/zinc/05/83/08/221058308.db2.gz RLCZCROUZVFRDW-UHFFFAOYSA-N -1 0 390.509 3.930 50 10 GHCARM COc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1 ZINC000013124185 221261435 /nfs/dbraw/zinc/26/14/35/221261435.db2.gz ICUTYELDIHZELF-BQGMYUGNSA-N -1 0 399.493 3.592 50 10 GHCARM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000015008751 221325904 /nfs/dbraw/zinc/32/59/04/221325904.db2.gz NXJQNKIWOBBRPO-ATVHPVEESA-N -1 0 389.367 3.625 50 10 GHCARM CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OCC ZINC000015012156 221326721 /nfs/dbraw/zinc/32/67/21/221326721.db2.gz SPYMTPPAAQJBEA-XNTDXEJSSA-N -1 0 395.502 3.550 50 10 GHCARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=N/N3CCCCCC3)cc2)n1 ZINC000100081502 570263448 /nfs/dbraw/zinc/26/34/48/570263448.db2.gz PMZBWIOIEYADBD-XTQSDGFTSA-N -1 0 388.497 3.769 50 10 GHCARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CC[C@@H](c1ccccc1)C2 ZINC000006179791 570285873 /nfs/dbraw/zinc/28/58/73/570285873.db2.gz JWQDYWSEMAUTKI-CYBMUJFWSA-N -1 0 387.457 3.611 50 10 GHCARM COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002748388 570297919 /nfs/dbraw/zinc/29/79/19/570297919.db2.gz AMPUZJDFTNGAOY-VXGBXAGGSA-N -1 0 379.478 3.633 50 10 GHCARM O=C([O-])Cc1ccc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 ZINC000604406126 570357987 /nfs/dbraw/zinc/35/79/87/570357987.db2.gz WYIQJYWRLINHNN-UHFFFAOYSA-N -1 0 381.387 3.829 50 10 biogenic GHCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1C ZINC000004704525 570395776 /nfs/dbraw/zinc/39/57/76/570395776.db2.gz ONAFEDPJKXTTEF-RGEXLXHISA-N -1 0 385.423 3.761 50 10 GHCARM CCn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)c2ccccc21 ZINC000005100379 570416636 /nfs/dbraw/zinc/41/66/36/570416636.db2.gz QVDOMVHKIGHKQI-WOJGMQOQSA-N -1 0 389.411 3.541 50 10 GHCARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)OC)C1 ZINC000239403305 570429740 /nfs/dbraw/zinc/42/97/40/570429740.db2.gz RSSRWUKYZJVTQJ-FRRDWIJNSA-N -1 0 393.505 3.879 50 10 GHCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000027533791 570435375 /nfs/dbraw/zinc/43/53/75/570435375.db2.gz FTUMZFGDFHFZCL-DKGMDFAASA-N -1 0 395.465 3.590 50 10 GHCARM O=C([O-])CNc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000006725018 570553194 /nfs/dbraw/zinc/55/31/94/570553194.db2.gz DVGHQSHJHJDXBS-UHFFFAOYSA-N -1 0 377.400 3.526 50 10 GHCARM CCCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000206166208 849745861 /nfs/dbraw/zinc/74/58/61/849745861.db2.gz SFOHVNOYPYRRLD-IBGZPJMESA-N -1 0 395.455 3.627 50 10 GHCARM CCCC(=O)N[C@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000027571746 855204634 /nfs/dbraw/zinc/20/46/34/855204634.db2.gz BCQOYHYBKLVVQH-LJQANCHMSA-N -1 0 395.415 3.863 50 10 GHCARM COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc(OC)c1 ZINC000033502483 893372408 /nfs/dbraw/zinc/37/24/08/893372408.db2.gz YGNUVHLICPPYNH-XNTDXEJSSA-N -1 0 395.502 3.550 50 10 GHCARM O=C([O-])CCCN1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S ZINC000001907737 212260483 /nfs/dbraw/zinc/26/04/83/212260483.db2.gz YPGDHNMSGUBRQU-DHZHZOJOSA-N -1 0 386.292 3.515 50 10 GHCARM CCN(CC)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1 ZINC000001452588 212246567 /nfs/dbraw/zinc/24/65/67/212246567.db2.gz SGJLFPWANRLALC-QINSGFPZSA-N -1 0 378.519 3.599 50 10 GHCARM O=C([O-])CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)SC1=S ZINC000001059588 212211364 /nfs/dbraw/zinc/21/13/64/212211364.db2.gz LTJCAOUYCWAOSI-MHWRWJLKSA-N -1 0 385.466 3.551 50 10 GHCARM COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)cc1 ZINC000012296967 221175925 /nfs/dbraw/zinc/17/59/25/221175925.db2.gz PVHLEDPJIDIXJJ-MRXNPFEDSA-N -1 0 378.428 3.871 50 10 biogenic GHCARM O=C([O-])c1cccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)c1 ZINC000013719348 221283918 /nfs/dbraw/zinc/28/39/18/221283918.db2.gz SXQXLLCDVMUPMB-CXUHLZMHSA-N -1 0 393.449 3.734 50 10 GHCARM CCOc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C(=O)[N-]C2=S)c1 ZINC000001204935 136196123 /nfs/dbraw/zinc/19/61/23/136196123.db2.gz XJHVOIDSGJJYIY-MHWRWJLKSA-N -1 0 386.860 3.570 50 10 GHCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000000686747 570217985 /nfs/dbraw/zinc/21/79/85/570217985.db2.gz YPFRXISDLHVRBL-XYOKQWHBSA-N -1 0 376.890 3.850 50 10 GHCARM COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000002748389 570297877 /nfs/dbraw/zinc/29/78/77/570297877.db2.gz AMPUZJDFTNGAOY-RYUDHWBXSA-N -1 0 379.478 3.633 50 10 GHCARM COc1ccc(S(=O)(=O)[N-]c2nc(-c3cccc(OC)c3)cs2)cc1 ZINC000028248525 570453301 /nfs/dbraw/zinc/45/33/01/570453301.db2.gz ZPNKRBDFYFWEIM-UHFFFAOYSA-N -1 0 376.459 3.628 50 10 GHCARM O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1nc2ccccc2[nH]1 ZINC000006813988 570618056 /nfs/dbraw/zinc/61/80/56/570618056.db2.gz LSQIYZSLFRTAJM-XFXZXTDPSA-N -1 0 382.832 3.888 50 10 GHCARM CCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1OC ZINC000012410795 570655636 /nfs/dbraw/zinc/65/56/36/570655636.db2.gz CAKUFSYVAPMYMA-PTNGSMBKSA-N -1 0 395.502 3.550 50 10 GHCARM O=C(c1ccco1)N1N=C(c2cccs2)C[C@H]1c1cc([N+](=O)[O-])ccc1[O-] ZINC000036055738 570667488 /nfs/dbraw/zinc/66/74/88/570667488.db2.gz BYZUFJDZLGEQJG-AWEZNQCLSA-N -1 0 383.385 3.946 50 10 GHCARM CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000004711352 570857567 /nfs/dbraw/zinc/85/75/67/570857567.db2.gz UGZTYOLWEYGNBE-LICLKQGHSA-N -1 0 393.443 3.632 50 10 GHCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3O)C2=O)cc1 ZINC000019789169 919597094 /nfs/dbraw/zinc/59/70/94/919597094.db2.gz RFFXJAQRQNYWNQ-YBEGLDIGSA-N -1 0 384.819 3.835 50 10 GHCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(F)c2)SC1=S ZINC000001774301 212255941 /nfs/dbraw/zinc/25/59/41/212255941.db2.gz YOXUOPFXFNNIAV-CNYBTUBUSA-N -1 0 387.457 3.723 50 10 GHCARM COc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000001301555 212233993 /nfs/dbraw/zinc/23/39/93/212233993.db2.gz DFQFHCADUQTFJB-GZTJUZNOSA-N -1 0 391.452 3.859 50 10 GHCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000001192836 212226763 /nfs/dbraw/zinc/22/67/63/212226763.db2.gz PPPONBRDOOYHDH-XMHGGMMESA-N -1 0 377.444 3.508 50 10 GHCARM Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c1 ZINC000000693934 212175044 /nfs/dbraw/zinc/17/50/44/212175044.db2.gz IJVSJWRGHYXNIJ-XMHGGMMESA-N -1 0 387.464 3.617 50 10 GHCARM CC(C)c1ccc(-n2cccc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1 ZINC000004909454 220789653 /nfs/dbraw/zinc/78/96/53/220789653.db2.gz WFXFWYPZOZEPJK-YBEGLDIGSA-N -1 0 386.498 3.887 50 10 GHCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)cc1Cl ZINC000014011133 221295518 /nfs/dbraw/zinc/29/55/18/221295518.db2.gz KLIVBTOWEXVMDK-ZROIWOOFSA-N -1 0 384.819 3.632 50 10 GHCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(F)cc1 ZINC000002916773 136196493 /nfs/dbraw/zinc/19/64/93/136196493.db2.gz YEWWFZYFBGAPBJ-KPKJPENVSA-N -1 0 395.242 3.964 50 10 GHCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1 ZINC000016309469 136201936 /nfs/dbraw/zinc/20/19/36/136201936.db2.gz VOWGCRNLFVBHDJ-JXAWBTAJSA-N -1 0 393.512 3.673 50 10 GHCARM CN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1 ZINC000020101332 570239158 /nfs/dbraw/zinc/23/91/58/570239158.db2.gz GMPHDVGWIINCED-AWEZNQCLSA-N -1 0 384.288 3.603 50 10 GHCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1 ZINC000004703317 570395431 /nfs/dbraw/zinc/39/54/31/570395431.db2.gz NQTJPXHZUOPMMW-XNTDXEJSSA-N -1 0 399.244 3.732 50 10 GHCARM COC(=O)COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004758262 570497889 /nfs/dbraw/zinc/49/78/89/570497889.db2.gz AXCHZRHSKGTLIT-FVJLSDCUSA-N -1 0 379.412 3.763 50 10 GHCARM COc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)ccc1O ZINC000004524151 570842351 /nfs/dbraw/zinc/84/23/51/570842351.db2.gz QSOOPSNAHBPBQP-QPEQYQDCSA-N -1 0 386.791 3.559 50 10 GHCARM