smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001182288 194063548 /nfs/dbraw/zinc/06/35/48/194063548.db2.gz XQBFHRZKMRMRTK-MMTVBGGISA-N 0 1 467.525 5.905 50 30 JKEAMN N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000001388053 194113808 /nfs/dbraw/zinc/11/38/08/194113808.db2.gz SEJZIPXZKJWKOB-UHFFFAOYSA-N 0 1 469.897 5.577 50 30 JKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc(-c3nc4ccccc4o3)cc2)c(O)c1Br ZINC000003087856 194224546 /nfs/dbraw/zinc/22/45/46/194224546.db2.gz KYFHGOMSZZWNET-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN Cc1ccc2sc(-c3ccc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4O)cc3)nc2c1 ZINC000003087858 194224577 /nfs/dbraw/zinc/22/45/77/194224577.db2.gz AGGJJJIQKRBHSN-KBKYJPHKSA-N 0 1 485.834 7.761 50 30 JKEAMN Cc1cccc2oc(-c3ccc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4O)cc3)nc21 ZINC000003114191 194227490 /nfs/dbraw/zinc/22/74/90/194227490.db2.gz DJTAVIJKIQWKDE-KBKYJPHKSA-N 0 1 469.766 7.292 50 30 JKEAMN Oc1cc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)ccc1-c1nc2ccccc2o1 ZINC000003470491 194331405 /nfs/dbraw/zinc/33/14/05/194331405.db2.gz MAKJWXHNBKLHHV-VULFUBBASA-N 0 1 459.299 6.974 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000004014480 194369755 /nfs/dbraw/zinc/36/97/55/194369755.db2.gz PWXGCSADNXIHHC-GOSISDBHSA-N 0 1 473.710 5.182 50 30 JKEAMN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000004110520 194379361 /nfs/dbraw/zinc/37/93/61/194379361.db2.gz WNRPXUVZAKVTPL-SOKVYYICSA-N 0 1 488.540 5.226 50 30 JKEAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)n2)cc1 ZINC000009235404 194621619 /nfs/dbraw/zinc/62/16/19/194621619.db2.gz MPDREJANVMTVMH-OAHLLOKOSA-N 0 1 481.647 5.295 50 30 JKEAMN N#Cc1ccccc1Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 ZINC000009907489 195018059 /nfs/dbraw/zinc/01/80/59/195018059.db2.gz JUIKPLCOWOKHPL-YDZHTSKRSA-N 0 1 480.524 5.372 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1)c1ccccc1Cl ZINC000012641968 195071574 /nfs/dbraw/zinc/07/15/74/195071574.db2.gz YGVUYGRJHUXOIC-JOCHJYFZSA-N 0 1 482.319 5.548 50 30 JKEAMN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652114 195076375 /nfs/dbraw/zinc/07/63/75/195076375.db2.gz YLKWBLBOEIIOGO-VWLOTQADSA-N 0 1 463.364 6.814 50 30 JKEAMN O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1 ZINC000012652116 195076443 /nfs/dbraw/zinc/07/64/43/195076443.db2.gz YLKWBLBOEIIOGO-RUZDIDTESA-N 0 1 463.364 6.814 50 30 JKEAMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1cccc2ccccc21 ZINC000012652210 195076549 /nfs/dbraw/zinc/07/65/49/195076549.db2.gz MLLWZZKKFFTCBH-SSEXGKCCSA-N 0 1 474.560 6.669 50 30 JKEAMN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1 ZINC000012652357 195076735 /nfs/dbraw/zinc/07/67/35/195076735.db2.gz QBNYWBCBRIYEDY-ACSYHNTCSA-N 0 1 480.589 6.484 50 30 JKEAMN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000012652292 195076757 /nfs/dbraw/zinc/07/67/57/195076757.db2.gz TWVMTKPJRZUAKB-DNOBIOAJSA-N 0 1 484.939 6.740 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652307 195076799 /nfs/dbraw/zinc/07/67/99/195076799.db2.gz NMCGRKVSDVXERR-QYBDOPJKSA-N 0 1 475.976 6.427 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccccc1OC ZINC000012652449 195076834 /nfs/dbraw/zinc/07/68/34/195076834.db2.gz CPBMROYYKZBPEP-XRHLQHRESA-N 0 1 471.557 5.782 50 30 JKEAMN O=C(C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000012631680 195063754 /nfs/dbraw/zinc/06/37/54/195063754.db2.gz DMBQCQDTTKTBSE-FXFSXJFASA-N 0 1 480.387 5.614 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102368560 130121624 /nfs/dbraw/zinc/12/16/24/130121624.db2.gz KBBXLVCPZGZLMV-JBCNATCCSA-N 0 1 487.339 5.703 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102368633 130121974 /nfs/dbraw/zinc/12/19/74/130121974.db2.gz ZSTWTLZVWMVKNI-CJJGVWJISA-N 0 1 487.600 5.306 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102401840 130126019 /nfs/dbraw/zinc/12/60/19/130126019.db2.gz ISNHSSBBHYNEQR-CZNAVJSXSA-N 0 1 469.537 5.203 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000102430559 130129897 /nfs/dbraw/zinc/12/98/97/130129897.db2.gz YHEUAYNCMSURMU-YDJIHCHBSA-N 0 1 475.551 5.327 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000102484644 130138393 /nfs/dbraw/zinc/13/83/93/130138393.db2.gz IVLKCAPFMKFNGH-YDJIHCHBSA-N 0 1 499.336 5.500 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102485004 130139021 /nfs/dbraw/zinc/13/90/21/130139021.db2.gz IUIAKSBFACFAJF-MRJHHRETSA-N 0 1 455.407 5.779 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1 ZINC000102494901 130149194 /nfs/dbraw/zinc/14/91/94/130149194.db2.gz QRLDPDBJDBSTCH-GHNGSUTGSA-N 0 1 454.479 5.262 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(F)c2)o1 ZINC000102497494 130151742 /nfs/dbraw/zinc/15/17/42/130151742.db2.gz QGCATLWONQYSBZ-OBVHCKHUSA-N 0 1 462.502 5.580 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102501043 130154873 /nfs/dbraw/zinc/15/48/73/130154873.db2.gz UCJFSQNKNBOSHA-ASBZNUFUSA-N 0 1 464.930 5.786 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2F)cc1Cl ZINC000102505613 130160117 /nfs/dbraw/zinc/16/01/17/130160117.db2.gz AQQOUXKCHSCMDH-WOOAAIBNSA-N 0 1 472.925 5.187 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C ZINC000102505954 130160327 /nfs/dbraw/zinc/16/03/27/130160327.db2.gz XCYCFFFOKUXLMK-ZHHPLPSFSA-N 0 1 462.571 5.252 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000102506689 130160980 /nfs/dbraw/zinc/16/09/80/130160980.db2.gz UADPDGNCEKLQJF-WOOAAIBNSA-N 0 1 489.380 5.702 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102515856 130169022 /nfs/dbraw/zinc/16/90/22/130169022.db2.gz IODVGJPRCAFHAP-JBCNATCCSA-N 0 1 478.476 5.209 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102518571 130171489 /nfs/dbraw/zinc/17/14/89/130171489.db2.gz QPWFRDYDGMFWPM-NHFXJNLRSA-N 0 1 464.474 5.053 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102525469 130177733 /nfs/dbraw/zinc/17/77/33/130177733.db2.gz HMYUUOGIGAUVKA-IOUQRVAPSA-N 0 1 487.552 5.404 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000102526641 130179155 /nfs/dbraw/zinc/17/91/55/130179155.db2.gz ZUJALVCKOPBZQG-MRJHHRETSA-N 0 1 462.477 5.509 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102527840 130180371 /nfs/dbraw/zinc/18/03/71/130180371.db2.gz YACHETDBGNSCMC-MRJHHRETSA-N 0 1 462.477 5.509 50 30 JKEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102528221 130180816 /nfs/dbraw/zinc/18/08/16/130180816.db2.gz BWRAWQVMGJSGAV-YDJIHCHBSA-N 0 1 496.541 5.140 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102528891 130181813 /nfs/dbraw/zinc/18/18/13/130181813.db2.gz JMOZDIGFWPXCQS-LFVOPCPISA-N 0 1 466.515 5.132 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102529744 130183170 /nfs/dbraw/zinc/18/31/70/130183170.db2.gz CJQNUILGEOGBDV-YDJIHCHBSA-N 0 1 457.835 5.985 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000102532227 130185754 /nfs/dbraw/zinc/18/57/54/130185754.db2.gz PZBDAHOUJKFEJT-TXTDGAROSA-N 0 1 499.607 5.595 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102532572 130186376 /nfs/dbraw/zinc/18/63/76/130186376.db2.gz YILIDIPCXLSEPD-LFVOPCPISA-N 0 1 466.902 5.178 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102542189 130198215 /nfs/dbraw/zinc/19/82/15/130198215.db2.gz ZAPGWJUOKNPZSD-IAMBOQNYSA-N 0 1 476.504 5.818 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102543189 130199413 /nfs/dbraw/zinc/19/94/13/130199413.db2.gz LKTWWULQNQMDAU-IUKMQXEJSA-N 0 1 457.526 5.246 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102547556 130201453 /nfs/dbraw/zinc/20/14/53/130201453.db2.gz NCNAHAMSPQELFK-NXLSWJSLSA-N 0 1 498.560 5.362 50 30 JKEAMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102554257 130204922 /nfs/dbraw/zinc/20/49/22/130204922.db2.gz ROOOSQWMNHPJCA-GXJNPGMPSA-N 0 1 455.510 5.276 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102587719 130217637 /nfs/dbraw/zinc/21/76/37/130217637.db2.gz SATWKQMAYCMSLZ-NHFXJNLRSA-N 0 1 457.835 5.985 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102591993 130218545 /nfs/dbraw/zinc/21/85/45/130218545.db2.gz UTHNNXRLJCRVLR-ZVRPETLXSA-N 0 1 487.364 5.400 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000102604409 130221532 /nfs/dbraw/zinc/22/15/32/130221532.db2.gz PNFAMYRIGUYBEG-HOGKFDNTSA-N 0 1 460.486 5.107 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102607366 130222538 /nfs/dbraw/zinc/22/25/38/130222538.db2.gz SDCUVGIEBJTPLS-MRJHHRETSA-N 0 1 471.406 5.479 50 30 JKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000102627974 130227158 /nfs/dbraw/zinc/22/71/58/130227158.db2.gz ZLDHVEISLBGZKA-MRJHHRETSA-N 0 1 456.380 5.760 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102646253 130229761 /nfs/dbraw/zinc/22/97/61/130229761.db2.gz SZOLTAKFOSQKLT-NGAXIMOQSA-N 0 1 483.564 5.421 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccs3)cc2)c1 ZINC000102691313 130238220 /nfs/dbraw/zinc/23/82/20/130238220.db2.gz RXCKQRVBAMJKKO-NPJIAGGLSA-N 0 1 485.561 5.850 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102735082 130279289 /nfs/dbraw/zinc/27/92/89/130279289.db2.gz WPQPFNIZWSKDNN-ZLYDLHQSSA-N 0 1 481.592 5.929 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102735126 130279443 /nfs/dbraw/zinc/27/94/43/130279443.db2.gz GIJWIBFUUBMVLW-ZLYDLHQSSA-N 0 1 467.565 5.755 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770848 130295454 /nfs/dbraw/zinc/29/54/54/130295454.db2.gz PRYFFHBBNMFPEQ-HUPAGYGUSA-N 0 1 499.611 5.016 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 ZINC000102797321 130306063 /nfs/dbraw/zinc/30/60/63/130306063.db2.gz KBFXRYGVERXRAX-CZNAVJSXSA-N 0 1 480.495 5.635 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102797548 130306112 /nfs/dbraw/zinc/30/61/12/130306112.db2.gz UVYQIVFFMCLWKR-SBXHHDGASA-N 0 1 468.534 5.557 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102798611 130307113 /nfs/dbraw/zinc/30/71/13/130307113.db2.gz WGFSUQSBHIPQBI-LFVOPCPISA-N 0 1 496.541 5.140 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000102801218 130309997 /nfs/dbraw/zinc/30/99/97/130309997.db2.gz ZDRXOTLGYBQQEE-IBOXJLQUSA-N 0 1 475.751 5.185 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000102801221 130310132 /nfs/dbraw/zinc/31/01/32/130310132.db2.gz ZDRXOTLGYBQQEE-UYTDBDHRSA-N 0 1 475.751 5.185 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Br)cn2)cc1 ZINC000102802834 130310855 /nfs/dbraw/zinc/31/08/55/130310855.db2.gz DETWFSJXFWPFPY-YDJIHCHBSA-N 0 1 499.748 5.132 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000102803832 130311377 /nfs/dbraw/zinc/31/13/77/130311377.db2.gz YEURDFVFWIWDNF-WOOAAIBNSA-N 0 1 496.972 5.216 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102857616 130327104 /nfs/dbraw/zinc/32/71/04/130327104.db2.gz LGZXIBXIHUTULI-HOGKFDNTSA-N 0 1 490.512 5.079 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000102857991 130327750 /nfs/dbraw/zinc/32/77/50/130327750.db2.gz CFNVGRBFCMOQAY-MRJHHRETSA-N 0 1 498.413 5.249 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102858475 130328797 /nfs/dbraw/zinc/32/87/97/130328797.db2.gz MTXKAZYYSNNJCW-JBCNATCCSA-N 0 1 478.476 5.209 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102873848 130345561 /nfs/dbraw/zinc/34/55/61/130345561.db2.gz RTRNWTNVLDOROZ-ZHHPLPSFSA-N 0 1 480.517 5.088 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102874251 130346102 /nfs/dbraw/zinc/34/61/02/130346102.db2.gz ZTKVLCNNBPWNMW-MRJHHRETSA-N 0 1 478.932 6.024 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102876912 130349859 /nfs/dbraw/zinc/34/98/59/130349859.db2.gz NFZOUNWDGWQZPF-JLPDLQRYSA-N 0 1 483.564 5.073 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102877581 130351081 /nfs/dbraw/zinc/35/10/81/130351081.db2.gz ZVMLLEBMMNEAPM-NHFXJNLRSA-N 0 1 455.297 5.023 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102878883 130353409 /nfs/dbraw/zinc/35/34/09/130353409.db2.gz KCWGEUAGOKPGEI-WOOAAIBNSA-N 0 1 466.902 5.178 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102879224 130354092 /nfs/dbraw/zinc/35/40/92/130354092.db2.gz SESQIHYRGRFSCT-WOOAAIBNSA-N 0 1 450.516 5.432 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102879085 130354131 /nfs/dbraw/zinc/35/41/31/130354131.db2.gz WFAUYWUOQDIWCE-LFVOPCPISA-N 0 1 466.515 5.132 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102881209 130358270 /nfs/dbraw/zinc/35/82/70/130358270.db2.gz AXUWBYITLAFDHK-MRJHHRETSA-N 0 1 462.477 5.509 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000102884046 130364984 /nfs/dbraw/zinc/36/49/84/130364984.db2.gz XWWPDYCFBGUWEO-YDJIHCHBSA-N 0 1 466.440 5.340 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102884056 130365141 /nfs/dbraw/zinc/36/51/41/130365141.db2.gz BPXADXLTHQLEJM-NHFXJNLRSA-N 0 1 475.825 6.124 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000102884052 130365179 /nfs/dbraw/zinc/36/51/79/130365179.db2.gz BPXADXLTHQLEJM-YDJIHCHBSA-N 0 1 475.825 6.124 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102894773 130377198 /nfs/dbraw/zinc/37/71/98/130377198.db2.gz QRTLTUCCKDGINS-CJJGVWJISA-N 0 1 483.564 5.377 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102926498 130398064 /nfs/dbraw/zinc/39/80/64/130398064.db2.gz NMZUKRMPZLBNLE-JBCNATCCSA-N 0 1 494.931 5.724 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102926500 130398153 /nfs/dbraw/zinc/39/81/53/130398153.db2.gz NMZUKRMPZLBNLE-MRJHHRETSA-N 0 1 494.931 5.724 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102933376 130415480 /nfs/dbraw/zinc/41/54/80/130415480.db2.gz NAJWDYRWYFECCW-MRJHHRETSA-N 0 1 478.932 6.024 50 30 JKEAMN CCCCCCCCC(=O)N(CCC)Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1 ZINC000102995815 130442868 /nfs/dbraw/zinc/44/28/68/130442868.db2.gz UZXPXHGSXVXCPG-UHFFFAOYSA-N 0 1 499.719 5.951 50 30 JKEAMN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009014873 518342718 /nfs/dbraw/zinc/34/27/18/518342718.db2.gz HJNQGBJJINYZNF-QFIPXVFZSA-N 0 1 476.872 5.234 50 30 JKEAMN Cc1nc(CCn2cccc(C(F)(F)F)c2=O)sc1C(C)N=Nc1c(Cl)cccc1Cl ZINC000012369900 518463534 /nfs/dbraw/zinc/46/35/34/518463534.db2.gz ZIWGZZCAECCCGS-KKMKTNMSSA-N 0 1 489.350 6.018 50 30 JKEAMN C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCc1ccccc1)C3 ZINC000020058000 518625794 /nfs/dbraw/zinc/62/57/94/518625794.db2.gz AOMAWGUWYVBQMC-UHFFFAOYSA-N 0 1 473.667 5.716 50 30 JKEAMN C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000012217142 518651147 /nfs/dbraw/zinc/65/11/47/518651147.db2.gz VZLZKJGNPHQENH-UHFFFAOYSA-N 0 1 458.949 5.446 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC ZINC000036301877 518724053 /nfs/dbraw/zinc/72/40/53/518724053.db2.gz GJFZVYDZAOBUJP-QHCPKHFHSA-N 0 1 484.040 6.174 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000036303716 518986572 /nfs/dbraw/zinc/98/65/72/518986572.db2.gz CETYOGVNUMBSKR-QHCPKHFHSA-N 0 1 470.013 5.400 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000016701289 519021320 /nfs/dbraw/zinc/02/13/20/519021320.db2.gz GJTIFFGZAIVFIR-JOCHJYFZSA-N 0 1 489.399 5.007 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000016701289 519021323 /nfs/dbraw/zinc/02/13/23/519021323.db2.gz GJTIFFGZAIVFIR-JOCHJYFZSA-N 0 1 489.399 5.007 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016732486 519021859 /nfs/dbraw/zinc/02/18/59/519021859.db2.gz QJMTVRATVOHMDH-NOZRDPDXSA-N 0 1 475.585 5.306 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016732480 519022661 /nfs/dbraw/zinc/02/26/61/519022661.db2.gz QJMTVRATVOHMDH-ZCYQVOJMSA-N 0 1 475.585 5.306 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000016734889 519024188 /nfs/dbraw/zinc/02/41/88/519024188.db2.gz YBZFYACCWYQKTC-VWLOTQADSA-N 0 1 473.525 5.412 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016732533 519024889 /nfs/dbraw/zinc/02/48/89/519024889.db2.gz LRVBESQNTNQGLW-VWLOTQADSA-N 0 1 457.526 5.746 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C=O)[C@H]3c2cccs2)cc1 ZINC000009270268 519047236 /nfs/dbraw/zinc/04/72/36/519047236.db2.gz LEYMVTVEFUANLG-PPHZAIPVSA-N 0 1 456.611 6.576 50 30 JKEAMN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C=O)[C@@H]3c2cccs2)cc1 ZINC000009270270 519049167 /nfs/dbraw/zinc/04/91/67/519049167.db2.gz LEYMVTVEFUANLG-XHCCPWGMSA-N 0 1 456.611 6.576 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009313052 519059406 /nfs/dbraw/zinc/05/94/06/519059406.db2.gz OYYXMKUMZAROIK-WTYVLRPYSA-N 0 1 495.575 5.396 50 30 JKEAMN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(C/C=C/c2ccco2)CC1 ZINC000015067713 519242305 /nfs/dbraw/zinc/24/23/05/519242305.db2.gz NRXDMEDCCOKEOO-XBXARRHUSA-N 0 1 455.027 5.896 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000001409593 519640519 /nfs/dbraw/zinc/64/05/19/519640519.db2.gz ODFPWFZEARFNDP-NGOKVRLYSA-N 0 1 456.973 6.569 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000009108872 519640811 /nfs/dbraw/zinc/64/08/11/519640811.db2.gz CUGZKDNLUVUMLK-CLYVBNDRSA-N 0 1 460.936 6.400 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000009109829 519720729 /nfs/dbraw/zinc/72/07/29/519720729.db2.gz PRZCJKRLHUZIRD-JOCHJYFZSA-N 0 1 464.880 5.220 50 30 JKEAMN CC(C)Oc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009266495 519782121 /nfs/dbraw/zinc/78/21/21/519782121.db2.gz LFEKDBYQSHEXDW-LJAQVGFWSA-N 0 1 480.608 6.931 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009042772 519840254 /nfs/dbraw/zinc/84/02/54/519840254.db2.gz PSOOZGXZICDQBG-NRFANRHFSA-N 0 1 462.502 5.935 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)cc1 ZINC000021722961 519883919 /nfs/dbraw/zinc/88/39/19/519883919.db2.gz UAJJDGYVIRNGTM-UZTOHYMASA-N 0 1 471.557 5.782 50 30 JKEAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009471613 519903633 /nfs/dbraw/zinc/90/36/33/519903633.db2.gz DKVNHIQPRNORLD-RUZDIDTESA-N 0 1 461.675 6.495 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000009088083 519927941 /nfs/dbraw/zinc/92/79/41/519927941.db2.gz KAQHKHONBLNAAU-JPZYQRIQSA-N 0 1 482.599 7.307 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccco1 ZINC000009934326 519928330 /nfs/dbraw/zinc/92/83/30/519928330.db2.gz DIBOZPIMPHUNRQ-ONOMSOESSA-N 0 1 454.570 6.761 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccnc1 ZINC000009720989 519928600 /nfs/dbraw/zinc/92/86/00/519928600.db2.gz ABMRPJHZGKAFLR-SLGOVJDISA-N 0 1 495.623 6.571 50 30 JKEAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000009452754 519929028 /nfs/dbraw/zinc/92/90/28/519929028.db2.gz WXEAZZFEJONOEK-QNLPTKCRSA-N 0 1 496.626 7.615 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000009088082 519929118 /nfs/dbraw/zinc/92/91/18/519929118.db2.gz KAQHKHONBLNAAU-WKRVVKTRSA-N 0 1 482.599 7.307 50 30 JKEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009452334 520259190 /nfs/dbraw/zinc/25/91/90/520259190.db2.gz OGEAHJQEZLZIOG-QHCPKHFHSA-N 0 1 464.493 5.474 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2cccc(Cl)c2)C1 ZINC000009042736 520263241 /nfs/dbraw/zinc/26/32/41/520263241.db2.gz CBMQJGUOQVJRKN-NDEPHWFRSA-N 0 1 471.000 6.726 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)nn1[C@H]2c1ccccc1Cl ZINC000020849926 520267770 /nfs/dbraw/zinc/26/77/70/520267770.db2.gz XYUIDQDBDSBEAZ-NRFANRHFSA-N 0 1 495.992 5.790 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009275319 520331148 /nfs/dbraw/zinc/33/11/48/520331148.db2.gz PSYKJRZYZGYDDF-SANMLTNESA-N 0 1 470.569 5.772 50 30 JKEAMN CCCC[N@@H+](C)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2 ZINC000020647738 520417298 /nfs/dbraw/zinc/41/72/98/520417298.db2.gz VRUUNMIPXBSLSV-MTJSOVHGSA-N 0 1 470.363 6.057 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)C=Cc3ccccc3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016736714 520419978 /nfs/dbraw/zinc/41/99/78/520419978.db2.gz TYSKHVSZKOFERD-MPUSPQBPSA-N 0 1 454.526 5.049 50 30 JKEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009464920 520431905 /nfs/dbraw/zinc/43/19/05/520431905.db2.gz HHNFUNPRFHQGKX-MMTVBGGISA-N 0 1 497.591 5.620 50 30 JKEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424094 520432803 /nfs/dbraw/zinc/43/28/03/520432803.db2.gz QDESVDZVXYRWMP-MHZLTWQESA-N 0 1 499.563 5.068 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009470995 520467629 /nfs/dbraw/zinc/46/76/29/520467629.db2.gz KTBDQFSDDMRQEZ-HHHXNRCGSA-N 0 1 499.563 5.068 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000008859761 520469282 /nfs/dbraw/zinc/46/92/82/520469282.db2.gz QHOJXLWUHMCMFL-VWLOTQADSA-N 0 1 472.541 5.048 50 30 JKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(C)c(Br)c4)nc3c2)c1O ZINC000001955233 520788016 /nfs/dbraw/zinc/78/80/16/520788016.db2.gz SSESHFIOUISYHY-BRJLIKDPSA-N 0 1 496.317 6.329 50 30 JKEAMN CCOc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 ZINC000009319901 520812400 /nfs/dbraw/zinc/81/24/00/520812400.db2.gz VHMMGHRNVKYGHJ-WGOQTCKBSA-N 0 1 460.559 5.476 50 30 JKEAMN CCCCOc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3c(Cl)cccc3Cl)S2)cc1OC ZINC000012194726 520854652 /nfs/dbraw/zinc/85/46/52/520854652.db2.gz AHLMTZCVRUTUFB-HMHIXTCJSA-N 0 1 480.417 5.345 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009358106 520857515 /nfs/dbraw/zinc/85/75/15/520857515.db2.gz SXJVSMCQTZIGGW-AREMUKBSSA-N 0 1 493.644 6.086 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000009356918 520859208 /nfs/dbraw/zinc/85/92/08/520859208.db2.gz YASOOTXQRSWHDA-QHCPKHFHSA-N 0 1 471.981 5.442 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c(C)c1 ZINC000009086110 520861050 /nfs/dbraw/zinc/86/10/50/520861050.db2.gz GYWHFAJZAVWJPV-HSZRJFAPSA-N 0 1 462.571 5.409 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(O)cc2)c(C)c1 ZINC000009085831 520861063 /nfs/dbraw/zinc/86/10/63/520861063.db2.gz QQRTZLMTQBGBMB-RUZDIDTESA-N 0 1 472.541 5.053 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(O)cc2)c(C)c1 ZINC000009085832 520863160 /nfs/dbraw/zinc/86/31/60/520863160.db2.gz QQRTZLMTQBGBMB-VWLOTQADSA-N 0 1 472.541 5.053 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1C ZINC000009370552 520863276 /nfs/dbraw/zinc/86/32/76/520863276.db2.gz YFTXGLIWXRIZEG-VWLOTQADSA-N 0 1 456.542 5.347 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000009085845 520863521 /nfs/dbraw/zinc/86/35/21/520863521.db2.gz BRLAIKKBWIHMFH-VWLOTQADSA-N 0 1 474.532 5.487 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000012311281 520874981 /nfs/dbraw/zinc/87/49/81/520874981.db2.gz ZRAVDOMLVQIBJT-FQEVSTJZSA-N 0 1 464.345 5.007 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(CC)cc2)cc1Cl ZINC000016733417 520876686 /nfs/dbraw/zinc/87/66/86/520876686.db2.gz SSXMLGOWFQWQOC-DEOSSOPVSA-N 0 1 493.991 5.166 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000016805218 520877682 /nfs/dbraw/zinc/87/76/82/520877682.db2.gz CLIQERPXIQDGPX-AREMUKBSSA-N 0 1 455.554 5.789 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000016805292 520878680 /nfs/dbraw/zinc/87/86/80/520878680.db2.gz LOYOECATSKEADN-SANMLTNESA-N 0 1 471.553 5.489 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000016732477 520878826 /nfs/dbraw/zinc/87/88/26/520878826.db2.gz HWSLRFOVHQLKQL-QFIPXVFZSA-N 0 1 457.954 5.087 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000016733479 520880023 /nfs/dbraw/zinc/88/00/23/520880023.db2.gz ROGFRBQCFPKSBS-OAQYLSRUSA-N 0 1 455.869 5.249 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000009271299 520880833 /nfs/dbraw/zinc/88/08/33/520880833.db2.gz UVEATMPTROBDBJ-JOCHJYFZSA-N 0 1 483.351 5.566 50 30 JKEAMN CCN(CC)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000012112560 520881237 /nfs/dbraw/zinc/88/12/37/520881237.db2.gz OHJCXSSYPWUEQL-RUDKWAFVSA-N 0 1 462.591 5.012 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016742169 520894739 /nfs/dbraw/zinc/89/47/39/520894739.db2.gz URWKFMZIOXACRB-RUZDIDTESA-N 0 1 491.540 5.254 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009471272 520894817 /nfs/dbraw/zinc/89/48/17/520894817.db2.gz KZMUOKYFAUUUEY-JOCHJYFZSA-N 0 1 466.921 5.598 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009360907 520897171 /nfs/dbraw/zinc/89/71/71/520897171.db2.gz GGZPAOMEVDNCJB-QHCPKHFHSA-N 0 1 496.947 5.607 50 30 JKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009463644 520908549 /nfs/dbraw/zinc/90/85/49/520908549.db2.gz LIMMJBLHJRCYDY-WINIVTDRSA-N 0 1 498.579 5.362 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000009463639 520908567 /nfs/dbraw/zinc/90/85/67/520908567.db2.gz LIMMJBLHJRCYDY-UZTOHYMASA-N 0 1 498.579 5.362 50 30 JKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009424103 520909131 /nfs/dbraw/zinc/90/91/31/520909131.db2.gz HTLKPSLCZRKYTM-QYBDOPJKSA-N 0 1 487.552 5.560 50 30 JKEAMN CCCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000009019073 520909721 /nfs/dbraw/zinc/90/97/21/520909721.db2.gz JJDPRAWZODDGIX-SSEXGKCCSA-N 0 1 494.635 7.322 50 30 JKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009358641 520909838 /nfs/dbraw/zinc/90/98/38/520909838.db2.gz WTHFTUOMEDYNIZ-VWLOTQADSA-N 0 1 489.524 5.008 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000009329159 520909978 /nfs/dbraw/zinc/90/99/78/520909978.db2.gz WTHFTUOMEDYNIZ-RUZDIDTESA-N 0 1 489.524 5.008 50 30 JKEAMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000001219481 521035420 /nfs/dbraw/zinc/03/54/20/521035420.db2.gz FYBTVGHYPAZBBP-NHHXKRIFSA-N 0 1 485.536 5.285 50 30 JKEAMN CC1CCN(c2ccc(C=[NH+][N-]c3c(F)c(F)c(C(F)(F)F)c(F)c3F)cc2[N+](=O)[O-])CC1 ZINC000016609333 521038481 /nfs/dbraw/zinc/03/84/81/521038481.db2.gz FNEZLWXNIUURJD-HIUVJMHLSA-N 0 1 478.368 5.852 50 30 JKEAMN CCC(=O)N(C)CCc1cc2c(c(OC)c1CN=Nc1c(Cl)cc(Cl)cc1Cl)OCO2 ZINC000009344462 521081678 /nfs/dbraw/zinc/08/16/78/521081678.db2.gz GSUMOOZTXLVRTE-KIBLKLHPSA-N 0 1 486.783 5.241 50 30 JKEAMN CCCCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000009357523 521117911 /nfs/dbraw/zinc/11/79/11/521117911.db2.gz VCUGLAXNEHRRGZ-HHKSSKBBSA-N 0 1 474.424 5.482 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O ZINC000009272545 521121585 /nfs/dbraw/zinc/12/15/85/521121585.db2.gz ZGQQYLMDRNJEPZ-UCMSSSPTSA-N 0 1 465.622 7.017 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000001459849 521167906 /nfs/dbraw/zinc/16/79/06/521167906.db2.gz FQJRLAAISVFINN-IIMAJNMQSA-N 0 1 483.587 6.202 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000009013421 521168113 /nfs/dbraw/zinc/16/81/13/521168113.db2.gz LVBZLEHWWKLCHO-WHLCRQNOSA-N 0 1 491.418 7.304 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1 ZINC000009185658 521239573 /nfs/dbraw/zinc/23/95/73/521239573.db2.gz UKTJGSJYXZMNMY-OAQYLSRUSA-N 0 1 464.543 5.112 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009374193 521267906 /nfs/dbraw/zinc/26/79/06/521267906.db2.gz GXRAPAYCOIWALB-MYUZEXMDSA-N 0 1 499.563 5.196 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000009339584 521300901 /nfs/dbraw/zinc/30/09/01/521300901.db2.gz LATKAJHRLZEVHM-OAQYLSRUSA-N 0 1 478.501 5.518 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000009045032 521301349 /nfs/dbraw/zinc/30/13/49/521301349.db2.gz KHCLWXODYVZZRY-OAQYLSRUSA-N 0 1 494.956 6.033 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000009339445 521301591 /nfs/dbraw/zinc/30/15/91/521301591.db2.gz QGICCNNSFDHIMK-HXUWFJFHSA-N 0 1 480.929 5.724 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000009339585 521301748 /nfs/dbraw/zinc/30/17/48/521301748.db2.gz LATKAJHRLZEVHM-NRFANRHFSA-N 0 1 478.501 5.518 50 30 JKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)c1 ZINC000009329795 521313017 /nfs/dbraw/zinc/31/30/17/521313017.db2.gz LOFZTWIPBYIBSZ-WGOQTCKBSA-N 0 1 460.559 5.476 50 30 JKEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009312043 521417395 /nfs/dbraw/zinc/41/73/95/521417395.db2.gz WFTGPOZKYMLUGX-HFJWLAOPSA-N 0 1 469.537 5.187 50 30 JKEAMN CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000000672437 521581498 /nfs/dbraw/zinc/58/14/98/521581498.db2.gz KBOQJEPTDFCZTR-IIMAJNMQSA-N 0 1 482.580 6.014 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000009041921 521611473 /nfs/dbraw/zinc/61/14/73/521611473.db2.gz VGMCPNBTTLUGPI-SFHVURJKSA-N 0 1 482.945 5.065 50 30 JKEAMN CCOCCCNC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccs1 ZINC000021722912 521711789 /nfs/dbraw/zinc/71/17/89/521711789.db2.gz FXUMGWMBEGFMNU-HSZRJFAPSA-N 0 1 453.608 5.501 50 30 JKEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741547 521755351 /nfs/dbraw/zinc/75/53/51/521755351.db2.gz SLAVKBPYEFWAEH-HPEPBICTSA-N 0 1 468.553 5.018 50 30 JKEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741548 521755407 /nfs/dbraw/zinc/75/54/07/521755407.db2.gz SLAVKBPYEFWAEH-NUKGXUILSA-N 0 1 468.553 5.018 50 30 JKEAMN 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COc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1ccccc1C#N ZINC000009296297 522001471 /nfs/dbraw/zinc/00/14/71/522001471.db2.gz DKUHYIOSHAHXAO-MZJWZYIUSA-N 0 1 475.961 5.603 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009186797 522165992 /nfs/dbraw/zinc/16/59/92/522165992.db2.gz QBYZVSAXSQQIFV-OAQYLSRUSA-N 0 1 488.521 5.076 50 30 JKEAMN COC(=O)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1 ZINC000009186799 522172010 /nfs/dbraw/zinc/17/20/10/522172010.db2.gz QBYZVSAXSQQIFV-NRFANRHFSA-N 0 1 488.521 5.076 50 30 JKEAMN COc1cc(OC)c([C@H]2c3c(n[nH]c3-c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009597469 522837575 /nfs/dbraw/zinc/83/75/75/522837575.db2.gz NUCVLXIPKBLSRL-JOCHJYFZSA-N 0 1 459.546 5.303 50 30 JKEAMN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000015277507 522965063 /nfs/dbraw/zinc/96/50/63/522965063.db2.gz AIMNKVMKKRXZCZ-ZAMGYDSWSA-N 0 1 463.515 5.350 50 30 JKEAMN COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000001303808 523172210 /nfs/dbraw/zinc/17/22/10/523172210.db2.gz WZTYGCZHFPXYMH-CVKSISIWSA-N 0 1 476.558 5.095 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009362754 523279125 /nfs/dbraw/zinc/27/91/25/523279125.db2.gz MKTSPPXARBQAMO-AREMUKBSSA-N 0 1 487.552 5.411 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009302188 523279609 /nfs/dbraw/zinc/27/96/09/523279609.db2.gz RCKNJMOKWVVNEL-SANMLTNESA-N 0 1 487.552 5.411 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1cccs1 ZINC000009271875 523282110 /nfs/dbraw/zinc/28/21/10/523282110.db2.gz VYMMGQCEKJUHGU-DEOSSOPVSA-N 0 1 477.582 5.250 50 30 JKEAMN COc1ccc(/C=N/N=C2/SC(Cc3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000009216733 523439670 /nfs/dbraw/zinc/43/96/70/523439670.db2.gz JOQUXSFPQOCTSG-BNEICHJSSA-N 0 1 463.990 5.425 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000016247213 523561777 /nfs/dbraw/zinc/56/17/77/523561777.db2.gz VFCJQLGBMXXXKI-XNMGPUDCSA-N 0 1 499.563 5.032 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009334033 523562284 /nfs/dbraw/zinc/56/22/84/523562284.db2.gz SYLYYWCUJAKFLI-VWLOTQADSA-N 0 1 470.569 5.475 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000009472192 523563751 /nfs/dbraw/zinc/56/37/51/523563751.db2.gz OMWZNMAJSMNZAP-OAQYLSRUSA-N 0 1 487.314 5.315 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000011614463 523564899 /nfs/dbraw/zinc/56/48/99/523564899.db2.gz WJCOBYKOUOYMCK-NRFANRHFSA-N 0 1 469.324 5.176 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009380689 523565254 /nfs/dbraw/zinc/56/52/54/523565254.db2.gz MZRVEWIODZGGBJ-OAQYLSRUSA-N 0 1 471.406 5.636 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000016731186 523565623 /nfs/dbraw/zinc/56/56/23/523565623.db2.gz PEHXDTGBHQZWIX-OAQYLSRUSA-N 0 1 487.314 5.315 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000009969633 523566150 /nfs/dbraw/zinc/56/61/50/523566150.db2.gz YVJKZSLHANXDTI-NRFANRHFSA-N 0 1 488.323 5.382 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000009046632 523567822 /nfs/dbraw/zinc/56/78/22/523567822.db2.gz YUFKYTIAMTZIDN-NRFANRHFSA-N 0 1 498.413 5.405 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2F)cc1 ZINC000009088838 523568157 /nfs/dbraw/zinc/56/81/57/523568157.db2.gz BFMNHOKUSSEDQN-OAQYLSRUSA-N 0 1 471.406 5.636 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009380710 523568535 /nfs/dbraw/zinc/56/85/35/523568535.db2.gz MDAUSRNBPHGCTC-NRFANRHFSA-N 0 1 487.861 6.150 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2F)cc1 ZINC000009271630 523569298 /nfs/dbraw/zinc/56/92/98/523569298.db2.gz ZIHBDKKWLPBFLB-OAQYLSRUSA-N 0 1 478.476 5.366 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2F)cc1 ZINC000009088837 523570030 /nfs/dbraw/zinc/57/00/30/523570030.db2.gz BFMNHOKUSSEDQN-NRFANRHFSA-N 0 1 471.406 5.636 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000009041172 523571362 /nfs/dbraw/zinc/57/13/62/523571362.db2.gz MOVLINIPPZEWEG-QFIPXVFZSA-N 0 1 490.512 5.236 50 30 JKEAMN CCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000036093480 523606156 /nfs/dbraw/zinc/60/61/56/523606156.db2.gz UTPGHJHEAGQVEP-IZNZCJHFSA-N 0 1 466.404 5.846 50 30 JKEAMN CCc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)cc2OC)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597471 523852202 /nfs/dbraw/zinc/85/22/02/523852202.db2.gz BTKPADUZACDJBR-XMMPIXPASA-N 0 1 487.600 5.866 50 30 JKEAMN COCCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000009720405 523931713 /nfs/dbraw/zinc/93/17/13/523931713.db2.gz QKTWMFYAMFOUMS-QHCPKHFHSA-N 0 1 470.038 5.477 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009240071 524033788 /nfs/dbraw/zinc/03/37/88/524033788.db2.gz VYMJSXTXJCSUIY-DFXXOVSGSA-N 0 1 498.623 5.120 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000009122193 524034149 /nfs/dbraw/zinc/03/41/49/524034149.db2.gz ATHKXCRWLSETKL-MUUNZHRXSA-N 0 1 499.607 5.751 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000009240073 524052085 /nfs/dbraw/zinc/05/20/85/524052085.db2.gz VYMJSXTXJCSUIY-TXTDGAROSA-N 0 1 498.623 5.120 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000009354092 524052415 /nfs/dbraw/zinc/05/24/15/524052415.db2.gz SKNLQBZSCNXVPH-QYBDOPJKSA-N 0 1 453.538 5.351 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000009122194 524052774 /nfs/dbraw/zinc/05/27/74/524052774.db2.gz ATHKXCRWLSETKL-NDEPHWFRSA-N 0 1 499.607 5.751 50 30 JKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Br)cc5)o4)cc3O)nc2c1 ZINC000003099016 524086282 /nfs/dbraw/zinc/08/62/82/524086282.db2.gz MNQQKPZLZFAROX-MZJWZYIUSA-N 0 1 473.326 7.282 50 30 JKEAMN COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000009019042 524110986 /nfs/dbraw/zinc/11/09/86/524110986.db2.gz GJZPHOVOTOVOIR-YUDQIZAISA-N 0 1 478.592 6.314 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009302145 524112868 /nfs/dbraw/zinc/11/28/68/524112868.db2.gz JFNHOLZYXNLMPB-HXUWFJFHSA-N 0 1 484.961 5.213 50 30 JKEAMN COc1ccc(CC2S/C(=N/N=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)NC2=O)cc1 ZINC000011565464 524142495 /nfs/dbraw/zinc/14/24/95/524142495.db2.gz SLGRZEHJZNGWNC-ZAHDWXQSSA-N 0 1 473.476 5.138 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009271216 524170860 /nfs/dbraw/zinc/17/08/60/524170860.db2.gz PGWNTSGAHWOYJN-NRFANRHFSA-N 0 1 494.931 5.880 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009123757 524173201 /nfs/dbraw/zinc/17/32/01/524173201.db2.gz TYWFQNFIDBBXTP-IBGZPJMESA-N 0 1 496.541 5.297 50 30 JKEAMN Cc1cc(C)c(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=S)N2c2ccc(C#N)cc2)c(C)c1 ZINC000015861785 524213381 /nfs/dbraw/zinc/21/33/81/524213381.db2.gz GCGJBBPOAFDJBO-WABZQMDPSA-N 0 1 484.713 7.166 50 30 JKEAMN Cc1cc(C)c(/N=C2\[C@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(Cl)cc2)c(C)c1 ZINC000033435825 524213537 /nfs/dbraw/zinc/21/35/37/524213537.db2.gz FUKWKVFHHBOLBN-COLUNPBLSA-N 0 1 464.053 6.757 50 30 JKEAMN COc1ccc(Cl)cc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1cccs1 ZINC000021356059 524236066 /nfs/dbraw/zinc/23/60/66/524236066.db2.gz UONNRDVLLZWNEA-DEOSSOPVSA-N 0 1 479.989 6.623 50 30 JKEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(C)s4)[C@@H]3c3ccc(Cl)cc3)oc21 ZINC000016742290 524256627 /nfs/dbraw/zinc/25/66/27/524256627.db2.gz RHWZKJNLANKKNK-GOSISDBHSA-N 0 1 481.917 5.038 50 30 JKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009110107 524384631 /nfs/dbraw/zinc/38/46/31/524384631.db2.gz YSAQKSSOLNNGJN-OAQYLSRUSA-N 0 1 498.760 5.894 50 30 JKEAMN Cc1cc(C)cc(NC(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@H]2c2cccs2)c1 ZINC000021722237 524427492 /nfs/dbraw/zinc/42/74/92/524427492.db2.gz OGUTZZGKNCAJIK-AREMUKBSSA-N 0 1 471.626 7.213 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3ccccc3)cc2)c1 ZINC000009507686 524447709 /nfs/dbraw/zinc/44/77/09/524447709.db2.gz GJAVIFNERSDBNU-NDEPHWFRSA-N 0 1 490.559 5.748 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccnc3)cc2)c1 ZINC000009460935 524447932 /nfs/dbraw/zinc/44/79/32/524447932.db2.gz CQHPUFQAHCGOAJ-MHZLTWQESA-N 0 1 491.547 5.143 50 30 JKEAMN Cc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2nc3ccccc3s2)c1 ZINC000009763221 524451541 /nfs/dbraw/zinc/45/15/41/524451541.db2.gz AVURPZLUBBLXLB-MFKUBSTISA-N 0 1 462.531 5.725 50 30 JKEAMN COc1ccccc1OCCCOc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000009763048 524671931 /nfs/dbraw/zinc/67/19/31/524671931.db2.gz PEIHYICMAOJHJR-YZSQISJMSA-N 0 1 463.559 5.607 50 30 JKEAMN COc1ccccc1OCCCOc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000009763048 524671944 /nfs/dbraw/zinc/67/19/44/524671944.db2.gz PEIHYICMAOJHJR-YZSQISJMSA-N 0 1 463.559 5.607 50 30 JKEAMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)Nc1ccc(Cl)cc1 ZINC000009264192 524746262 /nfs/dbraw/zinc/74/62/62/524746262.db2.gz CJPWIYWLORULED-AREMUKBSSA-N 0 1 473.960 6.561 50 30 JKEAMN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(=O)c1ccco1 ZINC000009264320 524747891 /nfs/dbraw/zinc/74/78/91/524747891.db2.gz CADYGYWEDFRXBC-XDBZFTIUSA-N 0 1 480.520 6.096 50 30 JKEAMN COc1ccccc1[C@@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)C1CCCCC1 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CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102705301 535830917 /nfs/dbraw/zinc/83/09/17/535830917.db2.gz JTVZVJGJTXLVRS-JBCNATCCSA-N 0 1 460.511 5.087 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102724294 535832139 /nfs/dbraw/zinc/83/21/39/535832139.db2.gz MVWBWXMVXFNXMD-NHFXJNLRSA-N 0 1 491.550 5.455 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102706534 535832505 /nfs/dbraw/zinc/83/25/05/535832505.db2.gz WSLFEMFAFGIFHG-YDJIHCHBSA-N 0 1 480.998 6.200 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@H]1c1ccc(F)cc1 ZINC000102527572 536539637 /nfs/dbraw/zinc/53/96/37/536539637.db2.gz DATMVNBUGMXGCM-CJJGVWJISA-N 0 1 489.543 5.171 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)cc1 ZINC000102704306 536540132 /nfs/dbraw/zinc/54/01/32/536540132.db2.gz BNJWSOXPFCVRHW-ONQGDUAMSA-N 0 1 485.580 5.341 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102502999 536569219 /nfs/dbraw/zinc/56/92/19/536569219.db2.gz BIRDXHOBDPDITQ-HOGKFDNTSA-N 0 1 490.512 5.079 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000102798530 536570217 /nfs/dbraw/zinc/57/02/17/536570217.db2.gz KTVYRJJXQGRJQE-JBCNATCCSA-N 0 1 478.476 5.209 50 30 JKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102600135 536659580 /nfs/dbraw/zinc/65/95/80/536659580.db2.gz SHSAUIYMECMOII-JBCNATCCSA-N 0 1 498.760 5.737 50 30 JKEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000102803535 537073940 /nfs/dbraw/zinc/07/39/40/537073940.db2.gz NZMUYFQPZHQUEY-YDJIHCHBSA-N 0 1 455.297 5.023 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000000631299 553718001 /nfs/dbraw/zinc/71/80/01/553718001.db2.gz FSOGHOVFSTYBNP-IBGZPJMESA-N 0 1 496.972 5.373 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000000631286 553718023 /nfs/dbraw/zinc/71/80/23/553718023.db2.gz MNNBUCOIANOKPU-IBGZPJMESA-N 0 1 496.972 5.373 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000635102 553720768 /nfs/dbraw/zinc/72/07/68/553720768.db2.gz WAHYXJBMYIJMJZ-HSZRJFAPSA-N 0 1 499.548 5.430 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000000635647 553721032 /nfs/dbraw/zinc/72/10/32/553721032.db2.gz KAUYNMWUTIPRCL-FQEVSTJZSA-N 0 1 459.483 5.015 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000654603 553735306 /nfs/dbraw/zinc/73/53/06/553735306.db2.gz HZFCNLBMSULBAM-DCFHFQCYSA-N 0 1 453.498 5.515 50 30 JKEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000000702947 553761703 /nfs/dbraw/zinc/76/17/03/553761703.db2.gz VNIFXQBYMUZGOS-FQEVSTJZSA-N 0 1 492.940 5.837 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)s1 ZINC000000703147 553762438 /nfs/dbraw/zinc/76/24/38/553762438.db2.gz HHUFTNZOMWIARE-GOSISDBHSA-N 0 1 496.342 5.138 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000718101 553770088 /nfs/dbraw/zinc/77/00/88/553770088.db2.gz ALJFDROAVDRWKD-WGDIFIGCSA-N 0 1 496.554 7.078 50 30 JKEAMN CC(=O)Oc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000000718107 553770196 /nfs/dbraw/zinc/77/01/96/553770196.db2.gz XLODKTCTUZNULE-MNNSJKJDSA-N 0 1 466.537 5.532 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(OC)c1 ZINC000000718131 553770211 /nfs/dbraw/zinc/77/02/11/553770211.db2.gz IJKOFADPWMNLLG-SMSORMJASA-N 0 1 466.581 6.314 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000718266 553770333 /nfs/dbraw/zinc/77/03/33/553770333.db2.gz YWWPINNDSJTXMZ-MUAVYFROSA-N 0 1 492.575 5.784 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000000718209 553770340 /nfs/dbraw/zinc/77/03/40/553770340.db2.gz PNUSRDRSZUNQKB-UZTOHYMASA-N 0 1 486.593 5.845 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000000718267 553770349 /nfs/dbraw/zinc/77/03/49/553770349.db2.gz VRJUSSBQRCHZMI-RBISFHTESA-N 0 1 466.537 5.394 50 30 JKEAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000000718268 553770355 /nfs/dbraw/zinc/77/03/55/553770355.db2.gz VRJUSSBQRCHZMI-DWACAAAGSA-N 0 1 466.537 5.394 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccs1 ZINC000000718139 553770385 /nfs/dbraw/zinc/77/03/85/553770385.db2.gz IKQRYZMCLVNHLZ-OLILMLBXSA-N 0 1 484.665 7.356 50 30 JKEAMN CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CCC2 ZINC000000722034 553772946 /nfs/dbraw/zinc/77/29/46/553772946.db2.gz MLDSJNZSKUWFJK-DNTJNYDQSA-N 0 1 473.186 5.395 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000000867315 553807204 /nfs/dbraw/zinc/80/72/04/553807204.db2.gz DAOOKTDKSRSHHO-UPCLLVRISA-N 0 1 482.458 5.751 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC ZINC000000872450 553810598 /nfs/dbraw/zinc/81/05/98/553810598.db2.gz CQHHCJFZGWIXQF-YKGWIAGDSA-N 0 1 496.607 6.260 50 30 JKEAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC ZINC000000872451 553810620 /nfs/dbraw/zinc/81/06/20/553810620.db2.gz CQHHCJFZGWIXQF-RCRUUEGKSA-N 0 1 496.607 6.260 50 30 JKEAMN COc1cccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000000893651 553830386 /nfs/dbraw/zinc/83/03/86/553830386.db2.gz ORYYMAKJEWDOAQ-MMTVBGGISA-N 0 1 472.972 6.269 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(-c2cn3ccsc3n2)cc1 ZINC000000936124 553873603 /nfs/dbraw/zinc/87/36/03/553873603.db2.gz GQDANPWNUUADMJ-ZVBGSRNCSA-N 0 1 477.181 6.044 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(Br)cc2)s1 ZINC000000952131 553881817 /nfs/dbraw/zinc/88/18/17/553881817.db2.gz XWQVTQNCNHSGAN-SFHVURJKSA-N 0 1 484.375 5.009 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000970190 553887206 /nfs/dbraw/zinc/88/72/06/553887206.db2.gz YIHAYLTWOMMOSQ-MNNSJKJDSA-N 0 1 480.564 5.784 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001003422 553898896 /nfs/dbraw/zinc/89/88/96/553898896.db2.gz DKBIUUGVAZOSRV-PPHZAIPVSA-N 0 1 487.943 6.169 50 30 JKEAMN CCOC(=O)c1c(N=C2CC(=O)[C@H](C(=O)OCC)[C@@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000001080038 553905074 /nfs/dbraw/zinc/90/50/74/553905074.db2.gz YEZSYUIPTOZLDR-DENIHFKCSA-N 0 1 467.587 5.035 50 30 JKEAMN CCOC(=O)c1c(N=C2CC(=O)[C@H](C(=O)OCC)[C@@H](c3cccc(OC)c3)C2)sc2c1CCCC2 ZINC000001079985 553905197 /nfs/dbraw/zinc/90/51/97/553905197.db2.gz HOTIJCFGISSPOB-NFBKMPQASA-N 0 1 497.613 5.044 50 30 JKEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000001104759 553908415 /nfs/dbraw/zinc/90/84/15/553908415.db2.gz VXCNRUNJOHSJEQ-JOCHJYFZSA-N 0 1 483.973 5.240 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000001118092 553910869 /nfs/dbraw/zinc/91/08/69/553910869.db2.gz DYFXHEKXFTZUJN-IBGZPJMESA-N 0 1 472.722 5.474 50 30 JKEAMN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000001178926 553927746 /nfs/dbraw/zinc/92/77/46/553927746.db2.gz RUWOUDIQLMMZAB-CHJDUVSTSA-N 0 1 468.572 6.772 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001211025 553932999 /nfs/dbraw/zinc/93/29/99/553932999.db2.gz YWQBQXPRWPIWCT-MMTVBGGISA-N 0 1 483.524 5.524 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccnc1 ZINC000001250951 553937384 /nfs/dbraw/zinc/93/73/84/553937384.db2.gz UPQBSBFYOVKHQX-KPURRNSFSA-N 0 1 465.597 6.300 50 30 JKEAMN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000001265009 553938589 /nfs/dbraw/zinc/93/85/89/553938589.db2.gz UYNLBSAUSBZMFX-AGHKFTSRSA-N 0 1 460.515 5.068 50 30 JKEAMN Cc1c(/N=C/c2cc(Br)cc(Br)c2O)cccc1-c1nc2ncccc2o1 ZINC000001300856 553941200 /nfs/dbraw/zinc/94/12/00/553941200.db2.gz SAMCOTSPFPHUSJ-YSURURNPSA-N 0 1 487.151 6.179 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000001409591 553966688 /nfs/dbraw/zinc/96/66/88/553966688.db2.gz ODFPWFZEARFNDP-PIIWDFAUSA-N 0 1 456.973 6.569 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 ZINC000001411058 553966888 /nfs/dbraw/zinc/96/68/88/553966888.db2.gz DPUUNZQEPYEOOV-XMMPIXPASA-N 0 1 472.566 5.449 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2OC)cc1 ZINC000001411028 553966920 /nfs/dbraw/zinc/96/69/20/553966920.db2.gz VMAZFJPQCSFFQP-HHHXNRCGSA-N 0 1 496.563 5.396 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(CC)cc2)cc1 ZINC000001411041 553966928 /nfs/dbraw/zinc/96/69/28/553966928.db2.gz OFSKFBFNGMVSQV-NDEPHWFRSA-N 0 1 494.591 5.950 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C)cc2)cc1 ZINC000001411022 553966970 /nfs/dbraw/zinc/96/69/70/553966970.db2.gz AAEUVVQFSKNLLW-HHHXNRCGSA-N 0 1 480.564 5.696 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001413495 553967759 /nfs/dbraw/zinc/96/77/59/553967759.db2.gz RRVYMMXUYWYBTP-RUZDIDTESA-N 0 1 486.955 5.651 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414735 553968567 /nfs/dbraw/zinc/96/85/67/553968567.db2.gz DJCDDOOOWKKQSW-VWLOTQADSA-N 0 1 470.500 5.137 50 30 JKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(O)cc2)cc1 ZINC000001414728 553968642 /nfs/dbraw/zinc/96/86/42/553968642.db2.gz HTDTZQSWKVFISF-RUZDIDTESA-N 0 1 452.510 5.003 50 30 JKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001414705 553968649 /nfs/dbraw/zinc/96/86/49/553968649.db2.gz MWQCGWXPEWYRQM-NDEPHWFRSA-N 0 1 478.592 6.421 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccs1 ZINC000001414781 553969116 /nfs/dbraw/zinc/96/91/16/553969116.db2.gz AVADQACAWOHHEZ-QFIPXVFZSA-N 0 1 462.958 5.704 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000001451373 553973848 /nfs/dbraw/zinc/97/38/48/553973848.db2.gz UKUJVIWNXVPZSI-DEOSSOPVSA-N 0 1 490.987 5.820 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000001459847 553974999 /nfs/dbraw/zinc/97/49/99/553974999.db2.gz FQJRLAAISVFINN-URAOTHONSA-N 0 1 483.587 6.202 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000001836506 553993587 /nfs/dbraw/zinc/99/35/87/553993587.db2.gz SYFLCJPRUYIWOS-UVHMKAGCSA-N 0 1 473.872 6.674 50 30 JKEAMN COc1cccc(OCCn2c(C)c(C=NNc3nc4ccccc4s3)c3cc(C)ccc32)c1 ZINC000001838416 553993811 /nfs/dbraw/zinc/99/38/11/553993811.db2.gz ZRTZFVBEAJGQGD-OGLMXYFKSA-N 0 1 470.598 6.401 50 30 JKEAMN COc1cccc(OCCn2c(C)c(C=[NH+][N-]c3nc4ccccc4s3)c3cc(C)ccc32)c1 ZINC000001838416 553993814 /nfs/dbraw/zinc/99/38/14/553993814.db2.gz ZRTZFVBEAJGQGD-OGLMXYFKSA-N 0 1 470.598 6.401 50 30 JKEAMN COc1ccccc1OCCCn1c(C)c(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000001864901 553998596 /nfs/dbraw/zinc/99/85/96/553998596.db2.gz ZTZZROQLOGCWHQ-MTDXEUNCSA-N 0 1 470.598 6.483 50 30 JKEAMN COc1ccccc1OCCCn1c(C)c(C=[NH+][N-]c2nc3ccccc3s2)c2ccccc21 ZINC000001864901 553998599 /nfs/dbraw/zinc/99/85/99/553998599.db2.gz ZTZZROQLOGCWHQ-MTDXEUNCSA-N 0 1 470.598 6.483 50 30 JKEAMN Cc1ccc(C(C)C)c(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c1 ZINC000001868327 553999833 /nfs/dbraw/zinc/99/98/33/553999833.db2.gz IHRXWNIHFVWFME-UXHLAJHPSA-N 0 1 482.653 7.598 50 30 JKEAMN COc1c(Br)cc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1 ZINC000001880109 554000067 /nfs/dbraw/zinc/00/00/67/554000067.db2.gz MBZWDDRBXCMJBL-DJKKODMXSA-N 0 1 468.174 5.023 50 30 JKEAMN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1 ZINC000001884393 554000364 /nfs/dbraw/zinc/00/03/64/554000364.db2.gz VKKMJBOTRYXADR-BRJLIKDPSA-N 0 1 499.158 6.441 50 30 JKEAMN COc1cccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)c1 ZINC000001882732 554000441 /nfs/dbraw/zinc/00/04/41/554000441.db2.gz BZKUZXMQWBDQKZ-BHGWPJFGSA-N 0 1 457.711 6.376 50 30 JKEAMN CCOc1cc([N+](=O)[O-])cc(/C=N/c2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1O ZINC000001885636 554000700 /nfs/dbraw/zinc/00/07/00/554000700.db2.gz NALGWGWJWXRGIY-BRJLIKDPSA-N 0 1 451.866 6.220 50 30 JKEAMN CCCCc1n[nH]c(=S)n1N=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000001918432 554004536 /nfs/dbraw/zinc/00/45/36/554004536.db2.gz KGQICCXKAMOAGE-WYMPLXKRSA-N 0 1 479.389 5.700 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2sc(-c3cccc(Br)c3)nc2c1 ZINC000001955278 554007687 /nfs/dbraw/zinc/00/76/87/554007687.db2.gz MDYKQMMJSZGUHY-YSURURNPSA-N 0 1 478.198 7.489 50 30 JKEAMN Fc1cccc(Cl)c1CSc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]1 ZINC000002148816 554068124 /nfs/dbraw/zinc/06/81/24/554068124.db2.gz RAXFKIGZOAGZOG-UHFFFAOYSA-N 0 1 455.786 6.594 50 30 JKEAMN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(I)c4O)ccc3o2)cc1 ZINC000002186521 554083311 /nfs/dbraw/zinc/08/33/11/554083311.db2.gz WZMTWFIJAXJKSP-BHGWPJFGSA-N 0 1 488.712 6.517 50 30 JKEAMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000002196520 554089580 /nfs/dbraw/zinc/08/95/80/554089580.db2.gz XZPOCNBVUOKVHZ-ATIYNZHBSA-N 0 1 489.623 5.573 50 30 JKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccc(C(C)(C)C)cc3)ccc21 ZINC000002330973 554151424 /nfs/dbraw/zinc/15/14/24/554151424.db2.gz GSGOOOFYNCQUBK-OGLMXYFKSA-N 0 1 453.615 6.915 50 30 JKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000002343016 554156960 /nfs/dbraw/zinc/15/69/60/554156960.db2.gz VMCKHYVFDOQFPV-AFUMVMLFSA-N 0 1 459.372 6.559 50 30 JKEAMN O=C1C(Nc2cccc(C(F)(F)F)c2)=C[C@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000002359020 554164857 /nfs/dbraw/zinc/16/48/57/554164857.db2.gz IRXXUOFEYGRODR-OAQYLSRUSA-N 0 1 480.383 6.947 50 30 JKEAMN CCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000002361430 554165950 /nfs/dbraw/zinc/16/59/50/554165950.db2.gz IHNWQJJQGFUPHY-VAVHGKRESA-N 0 1 490.423 5.101 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000002502083 554229628 /nfs/dbraw/zinc/22/96/28/554229628.db2.gz GAWZTNWXELLWBQ-XMMPIXPASA-N 0 1 474.944 5.387 50 30 JKEAMN C=C1C(C(=O)c2ccccc2)[C@H](c2cccc(F)c2)NC(=S)N1c1ccc(F)c(Cl)c1 ZINC000002664132 554277094 /nfs/dbraw/zinc/27/70/94/554277094.db2.gz MQXYPSFSJKUWPU-QFIPXVFZSA-N 0 1 454.929 6.211 50 30 JKEAMN CCN(CC)c1ccc(/C=N/N=C2/NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000002669080 554279348 /nfs/dbraw/zinc/27/93/48/554279348.db2.gz OHJCXSSYPWUEQL-CPUXBYDOSA-N 0 1 462.591 5.012 50 30 JKEAMN FC(F)c1n[nH]c(=S)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000002790140 554346050 /nfs/dbraw/zinc/34/60/50/554346050.db2.gz BPZPSTOJADPKAP-IGCPIRJNSA-N 0 1 453.685 5.519 50 30 JKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1COc1ccccc1Cc1ccccc1 ZINC000002791506 554347094 /nfs/dbraw/zinc/34/70/94/554347094.db2.gz HKQTXCYGCWALRR-RWPZCVJISA-N 0 1 480.540 5.565 50 30 JKEAMN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000002792603 554347987 /nfs/dbraw/zinc/34/79/87/554347987.db2.gz KKTVNPLURQIUPT-UHFFFAOYSA-N 0 1 454.305 5.282 50 30 JKEAMN FC(F)(c1cc(-c2ccccc2)[nH]n1)C(F)(F)C(F)(F)C(F)(F)c1cc(-c2ccccc2)n[nH]1 ZINC000003144960 554427246 /nfs/dbraw/zinc/42/72/46/554427246.db2.gz NXUBSRHLSQXTSQ-UHFFFAOYSA-N 0 1 486.366 6.621 50 30 JKEAMN Cc1nc2nc(N3CCCCC3)c(C#N)c3c4c(nc([nH]1)c23)N(c1ccc(C(C)C)cc1)C(=O)C4 ZINC000003319707 554450621 /nfs/dbraw/zinc/45/06/21/554450621.db2.gz GRGMIIGOVWTCEB-UHFFFAOYSA-N 0 1 465.561 5.021 50 30 JKEAMN Cc1nc2nc(N3CCCCCC3)c(C#N)c3c4c(nc([nH]1)c23)N(c1ccc2ccccc2c1)C(=O)C4 ZINC000003329618 554452771 /nfs/dbraw/zinc/45/27/71/554452771.db2.gz UBNHSUDDUPBCLB-UHFFFAOYSA-N 0 1 487.567 5.441 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000005917235 554495796 /nfs/dbraw/zinc/49/57/96/554495796.db2.gz BADRAHKJPIJWLY-HHHXNRCGSA-N 0 1 479.576 6.551 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2Cc2ccccc2)cc1 ZINC000006296736 554528095 /nfs/dbraw/zinc/52/80/95/554528095.db2.gz XEYZNRIUVYNJLO-UTONBFNKSA-N 0 1 486.615 7.269 50 30 JKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000008430922 554584115 /nfs/dbraw/zinc/58/41/15/554584115.db2.gz UJUJCRDHJGVOHF-VWLOTQADSA-N 0 1 470.535 7.039 50 30 JKEAMN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008431822 554585051 /nfs/dbraw/zinc/58/50/51/554585051.db2.gz SQYVYHOXYBDHRJ-PMERELPUSA-N 0 1 494.635 7.322 50 30 JKEAMN CC(C)Oc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000008432238 554585289 /nfs/dbraw/zinc/58/52/89/554585289.db2.gz NGNCCMOJCYCRDA-HKBQPEDESA-N 0 1 494.635 6.860 50 30 JKEAMN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000008441506 554591441 /nfs/dbraw/zinc/59/14/41/554591441.db2.gz GYAHSVUCCLNNNF-JOCHJYFZSA-N 0 1 496.788 5.924 50 30 JKEAMN Clc1ccccc1-c1ccc(C=NN=c2nc(Nc3ccccc3)[nH]c(Nc3ccccc3)n2)o1 ZINC000008442800 554592555 /nfs/dbraw/zinc/59/25/55/554592555.db2.gz LNLXKFAKNCBXGZ-OGLMXYFKSA-N 0 1 481.947 6.718 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1O[C@@H](C)CC ZINC000008444395 554594008 /nfs/dbraw/zinc/59/40/08/554594008.db2.gz MDYYBDCIRXDYDJ-URAOTHONSA-N 0 1 488.672 7.587 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)C1 ZINC000008456255 554600239 /nfs/dbraw/zinc/60/02/39/554600239.db2.gz CSSQURDWQNAZTQ-SANMLTNESA-N 0 1 456.973 6.797 50 30 JKEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000008743658 554646649 /nfs/dbraw/zinc/64/66/49/554646649.db2.gz QSHAGGLFPKBXFB-DEOSSOPVSA-N 0 1 469.633 5.393 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000008744093 554647247 /nfs/dbraw/zinc/64/72/47/554647247.db2.gz DUTBLMKYUJGDHE-NRFANRHFSA-N 0 1 452.894 5.207 50 30 JKEAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccs1)C(F)(F)F ZINC000008756344 554658511 /nfs/dbraw/zinc/65/85/11/554658511.db2.gz WSPWJMBXBCNIDZ-WNSKOXEYSA-N 0 1 486.490 6.350 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000008767350 554668014 /nfs/dbraw/zinc/66/80/14/554668014.db2.gz ZUEHWFYEBDURQO-HXUWFJFHSA-N 0 1 470.294 5.268 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000008769923 554670266 /nfs/dbraw/zinc/67/02/66/554670266.db2.gz FATVKBRQPXGICZ-PIIWDFAUSA-N 0 1 472.972 6.269 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000008775521 554673917 /nfs/dbraw/zinc/67/39/17/554673917.db2.gz VVPYPYXWGBINGJ-AREMUKBSSA-N 0 1 466.537 5.306 50 30 JKEAMN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000008775578 554673990 /nfs/dbraw/zinc/67/39/90/554673990.db2.gz KKFRRUKWALOBBX-XMMPIXPASA-N 0 1 472.928 5.348 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008816905 554699024 /nfs/dbraw/zinc/69/90/24/554699024.db2.gz YROPFSSJLCQYHS-IBGZPJMESA-N 0 1 466.515 5.288 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000008817231 554699876 /nfs/dbraw/zinc/69/98/76/554699876.db2.gz XTMGZLIKCJYBJF-RUZDIDTESA-N 0 1 470.569 5.475 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000008817359 554700075 /nfs/dbraw/zinc/70/00/75/554700075.db2.gz HSBXVNFBXOKTNJ-OAQYLSRUSA-N 0 1 460.511 5.379 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008817380 554700131 /nfs/dbraw/zinc/70/01/31/554700131.db2.gz QYLSSHPYXBGNBP-FQEVSTJZSA-N 0 1 464.474 5.210 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000008817930 554701146 /nfs/dbraw/zinc/70/11/46/554701146.db2.gz QNHCTNDWLGXWTL-FQEVSTJZSA-N 0 1 464.905 5.872 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000008817997 554701168 /nfs/dbraw/zinc/70/11/68/554701168.db2.gz DLCOXICTLSAXGL-QFIPXVFZSA-N 0 1 490.512 5.236 50 30 JKEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000008818056 554701539 /nfs/dbraw/zinc/70/15/39/554701539.db2.gz GYICGKXSDLFWAN-DEOSSOPVSA-N 0 1 456.542 5.166 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008818138 554701660 /nfs/dbraw/zinc/70/16/60/554701660.db2.gz FXEMQJPDVWFOOJ-NRFANRHFSA-N 0 1 494.956 6.033 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccccc2F)cc1Cl ZINC000008826821 554716818 /nfs/dbraw/zinc/71/68/18/554716818.db2.gz JMSUPLRFOIHMTP-IBGZPJMESA-N 0 1 472.925 5.344 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000008827742 554717753 /nfs/dbraw/zinc/71/77/53/554717753.db2.gz RTYGGHZTPQXIIP-NRFANRHFSA-N 0 1 462.502 5.682 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008827783 554717786 /nfs/dbraw/zinc/71/77/86/554717786.db2.gz RSLYGUFSUVGFFP-FQEVSTJZSA-N 0 1 469.280 5.819 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008827743 554717862 /nfs/dbraw/zinc/71/78/62/554717862.db2.gz MAYJQQZNAHDQAC-HXUWFJFHSA-N 0 1 464.543 5.842 50 30 JKEAMN Cc1ccn2cc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4O)c3)nc2c1 ZINC000008834473 554732484 /nfs/dbraw/zinc/73/24/84/554732484.db2.gz DQYPTBQILRTVHX-BHGWPJFGSA-N 0 1 485.179 6.291 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1c(-c2ccccc2)nc2ccccn21 ZINC000008835073 554733340 /nfs/dbraw/zinc/73/33/40/554733340.db2.gz RDLQJAGVNHRIKO-FSJBWODESA-N 0 1 471.152 5.983 50 30 JKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccc(C)cc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 ZINC000008845946 554744221 /nfs/dbraw/zinc/74/42/21/554744221.db2.gz AXSWUMWEXNSQIR-NDZAJKAJSA-N 0 1 497.668 6.971 50 30 JKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(O)c2)cc1Br ZINC000008846474 554745106 /nfs/dbraw/zinc/74/51/06/554745106.db2.gz PRZODZPINUTKNJ-OAQYLSRUSA-N 0 1 498.760 5.899 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000008846655 554745539 /nfs/dbraw/zinc/74/55/39/554745539.db2.gz CJNDZWYVXKAJGG-MYUZEXMDSA-N 0 1 460.599 6.822 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008857932 554754594 /nfs/dbraw/zinc/75/45/94/554754594.db2.gz VEICUIFIDYEJMS-QFIPXVFZSA-N 0 1 493.357 5.416 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000008859760 554756387 /nfs/dbraw/zinc/75/63/87/554756387.db2.gz QHOJXLWUHMCMFL-RUZDIDTESA-N 0 1 472.541 5.048 50 30 JKEAMN CN(C)c1nc(N=NCc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc(Nc2ccc(F)cc2)n1 ZINC000008872970 554769723 /nfs/dbraw/zinc/76/97/23/554769723.db2.gz HNGJBPJJMDRCGM-ROTLSHHCSA-N 0 1 496.890 5.088 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000008894132 554783117 /nfs/dbraw/zinc/78/31/17/554783117.db2.gz RFYBYLBNQVFSQZ-JOCHJYFZSA-N 0 1 492.503 5.756 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008894210 554783188 /nfs/dbraw/zinc/78/31/88/554783188.db2.gz LYRYFNUTNUCXJT-HXUWFJFHSA-N 0 1 475.482 5.143 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008894839 554784286 /nfs/dbraw/zinc/78/42/86/554784286.db2.gz BWYQDIIYUCYMBS-OAQYLSRUSA-N 0 1 485.323 5.638 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008896046 554785606 /nfs/dbraw/zinc/78/56/06/554785606.db2.gz BUHSXWIPJPMECB-NRFANRHFSA-N 0 1 497.345 5.317 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008900017 554791642 /nfs/dbraw/zinc/79/16/42/554791642.db2.gz VWBFDRGCUFCDKF-QFIPXVFZSA-N 0 1 490.537 5.388 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008903082 554797045 /nfs/dbraw/zinc/79/70/45/554797045.db2.gz FIVVAOHMFZEOIU-NRFANRHFSA-N 0 1 478.476 5.366 50 30 JKEAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2Cl)cc1 ZINC000008903236 554797254 /nfs/dbraw/zinc/79/72/54/554797254.db2.gz ASTYMLGTMPRRRR-FQEVSTJZSA-N 0 1 467.930 5.361 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000008904821 554799226 /nfs/dbraw/zinc/79/92/26/554799226.db2.gz FEZSKTJAKVABSS-MRXNPFEDSA-N 0 1 475.751 5.342 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000008905384 554799670 /nfs/dbraw/zinc/79/96/70/554799670.db2.gz CBGVLPVUVMDZOZ-HXUWFJFHSA-N 0 1 464.474 5.210 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008905396 554800006 /nfs/dbraw/zinc/80/00/06/554800006.db2.gz JZPUWXDONXIGGZ-LJQANCHMSA-N 0 1 452.919 5.144 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1 ZINC000008919482 554816179 /nfs/dbraw/zinc/81/61/79/554816179.db2.gz ZJXVULKFQRSZCQ-NRFANRHFSA-N 0 1 460.511 5.379 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000008922631 554819565 /nfs/dbraw/zinc/81/95/65/554819565.db2.gz MTJNPRASSNVLJH-HXUWFJFHSA-N 0 1 464.905 5.872 50 30 JKEAMN O=[N+]([O-])c1cc2c(cc1C=NN=c1cc(-c3ccccc3)c3cc(Br)ccc3[nH]1)OCO2 ZINC000008952368 554835805 /nfs/dbraw/zinc/83/58/05/554835805.db2.gz DVNLRGNWAGZYDY-BRJLIKDPSA-N 0 1 491.301 5.747 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008973724 554844984 /nfs/dbraw/zinc/84/49/84/554844984.db2.gz WOVKYWWLNVBNDR-NRFANRHFSA-N 0 1 478.932 6.180 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008973800 554845178 /nfs/dbraw/zinc/84/51/78/554845178.db2.gz AGYJSHCWZJGFCC-OAQYLSRUSA-N 0 1 478.501 5.600 50 30 JKEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000008973755 554845184 /nfs/dbraw/zinc/84/51/84/554845184.db2.gz WECBTFHORFDORD-OAQYLSRUSA-N 0 1 494.931 5.880 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008984226 554848175 /nfs/dbraw/zinc/84/81/75/554848175.db2.gz LDYMKOREURJQJX-NRFANRHFSA-N 0 1 462.477 5.666 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008996445 554857011 /nfs/dbraw/zinc/85/70/11/554857011.db2.gz VTHVBDQQIGTYOL-FQEVSTJZSA-N 0 1 480.998 6.357 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000008996386 554857028 /nfs/dbraw/zinc/85/70/28/554857028.db2.gz CWBFHMIWJLTONJ-IBGZPJMESA-N 0 1 469.950 5.070 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008996588 554857371 /nfs/dbraw/zinc/85/73/71/554857371.db2.gz MJDRNZBNSYHWGG-NRFANRHFSA-N 0 1 487.339 5.862 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000009008186 554862546 /nfs/dbraw/zinc/86/25/46/554862546.db2.gz BZUFZNADJZYULW-IBGZPJMESA-N 0 1 495.354 5.743 50 30 JKEAMN Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)c1 ZINC000009264463 555039669 /nfs/dbraw/zinc/03/96/69/555039669.db2.gz BKXNQHFLFHMALF-ZVHZXABRSA-N 0 1 490.588 5.009 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009324669 555097337 /nfs/dbraw/zinc/09/73/37/555097337.db2.gz YRPJLPAOBXMXFF-BLVKFPJESA-N 0 1 497.370 5.012 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009463093 555232933 /nfs/dbraw/zinc/23/29/33/555232933.db2.gz VGOWEVQJMDIRDA-GKVSMKOHSA-N 0 1 473.956 5.484 50 30 JKEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000009463266 555233167 /nfs/dbraw/zinc/23/31/67/555233167.db2.gz HAGAGQZPDARQHN-HSZRJFAPSA-N 0 1 496.346 5.543 50 30 JKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OCCOc1ccccc1C ZINC000009463203 555233213 /nfs/dbraw/zinc/23/32/13/555233213.db2.gz SQCDKRBZXULOCF-WGOQTCKBSA-N 0 1 463.559 5.526 50 30 JKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OCCOc1ccccc1C ZINC000009463203 555233216 /nfs/dbraw/zinc/23/32/16/555233216.db2.gz SQCDKRBZXULOCF-WGOQTCKBSA-N 0 1 463.559 5.526 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009463975 555234967 /nfs/dbraw/zinc/23/49/67/555234967.db2.gz FRLZJBRLEXCIQV-GKVSMKOHSA-N 0 1 473.956 5.484 50 30 JKEAMN COc1cccc(OCCOc2ccc(Cl)cc2C=NNc2nc3ccccc3s2)c1 ZINC000009660284 555363976 /nfs/dbraw/zinc/36/39/76/555363976.db2.gz WUKOWTPYCFCOAD-MFKUBSTISA-N 0 1 453.951 5.862 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009601048 555425052 /nfs/dbraw/zinc/42/50/52/555425052.db2.gz NFLMQODOAPAYKN-HXUWFJFHSA-N 0 1 464.905 5.872 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000009602053 555427837 /nfs/dbraw/zinc/42/78/37/555427837.db2.gz KADVACVHEHREAK-WRHNGFHOSA-N 0 1 491.418 7.304 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000009602055 555428246 /nfs/dbraw/zinc/42/82/46/555428246.db2.gz KADVACVHEHREAK-JMQGSBJISA-N 0 1 491.418 7.304 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000013550258 555491229 /nfs/dbraw/zinc/49/12/29/555491229.db2.gz PTDZOZGUYOSANI-RUZDIDTESA-N 0 1 490.987 6.001 50 30 JKEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000013551468 555492086 /nfs/dbraw/zinc/49/20/86/555492086.db2.gz RUUQNKVGEZVQKY-IBGZPJMESA-N 0 1 480.542 5.046 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000013553020 555493170 /nfs/dbraw/zinc/49/31/70/555493170.db2.gz WXTQMLBTFKMODH-OAQYLSRUSA-N 0 1 452.894 5.208 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000013564195 555498928 /nfs/dbraw/zinc/49/89/28/555498928.db2.gz UPAVOFKNNOJCHR-MHZLTWQESA-N 0 1 484.596 5.022 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000013564195 555498932 /nfs/dbraw/zinc/49/89/32/555498932.db2.gz UPAVOFKNNOJCHR-MHZLTWQESA-N 0 1 484.596 5.022 50 30 JKEAMN COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1Br ZINC000019850611 555510801 /nfs/dbraw/zinc/51/08/01/555510801.db2.gz GMMZPPYWOZIPTQ-WPWMEQJKSA-N 0 1 462.391 5.179 50 30 JKEAMN CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000019857379 555518574 /nfs/dbraw/zinc/51/85/74/555518574.db2.gz UZPCZUDVWGEYID-UHFFFAOYSA-N 0 1 474.008 5.084 50 30 JKEAMN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000019925502 555540845 /nfs/dbraw/zinc/54/08/45/555540845.db2.gz DUOLSYBZCGAJGA-QFIPXVFZSA-N 0 1 496.947 5.426 50 30 JKEAMN O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C=Nn2c(=S)[nH]nc2-c2cccs2)cc1 ZINC000013658336 555555609 /nfs/dbraw/zinc/55/56/09/555555609.db2.gz 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6.462 50 30 JKEAMN Cc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Br)c4O)ccc3o2)cc1 ZINC000020072293 555627902 /nfs/dbraw/zinc/62/79/02/555627902.db2.gz ROCYMSCWZKIPIO-BHGWPJFGSA-N 0 1 486.163 6.784 50 30 JKEAMN Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=NNc2nc3ccccc3s2)cc1C ZINC000013893171 555641136 /nfs/dbraw/zinc/64/11/36/555641136.db2.gz RLQVMJRJNAMPFB-MFKUBSTISA-N 0 1 462.531 5.725 50 30 JKEAMN Cc1ccc(CN2CCN(c3c(Cc4ccccc4)c(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000020149794 555665327 /nfs/dbraw/zinc/66/53/27/555665327.db2.gz STNVMMSKYJJIKP-UHFFFAOYSA-N 0 1 485.635 5.889 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000014077400 555680749 /nfs/dbraw/zinc/68/07/49/555680749.db2.gz SEYACWLRMDAUJR-HSZRJFAPSA-N 0 1 487.980 5.142 50 30 JKEAMN C(#CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)COC(c1ccccc1)c1ccccc1 ZINC000020227740 555718329 /nfs/dbraw/zinc/71/83/29/555718329.db2.gz OZNBWXBGUFXICF-UHFFFAOYSA-N 0 1 486.659 6.203 50 30 JKEAMN CCCc1cc(N2CCN(Cc3ccc(OCC)cc3)CC2)n2c3ccccc3nc2c1C#N 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/nfs/dbraw/zinc/11/89/85/556118985.db2.gz IOAMBFKMJDGRLL-VWLOTQADSA-N 0 1 478.633 5.221 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080828 556118988 /nfs/dbraw/zinc/11/89/88/556118988.db2.gz IOAMBFKMJDGRLL-VWLOTQADSA-N 0 1 478.633 5.221 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024080658 556119148 /nfs/dbraw/zinc/11/91/48/556119148.db2.gz NHZUUYMVPMCDAO-RUZDIDTESA-N 0 1 478.633 5.221 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016212735 556129324 /nfs/dbraw/zinc/12/93/24/556129324.db2.gz PZAHWHZVEBIDPL-RUZDIDTESA-N 0 1 481.589 5.187 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(Cl)cc1 ZINC000016713794 556154657 /nfs/dbraw/zinc/15/46/57/556154657.db2.gz SOSWZYPHTUVDJB-HSZRJFAPSA-N 0 1 471.981 5.298 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000016713764 556154687 /nfs/dbraw/zinc/15/46/87/556154687.db2.gz YMESDUXDIRQSLR-VWLOTQADSA-N 0 1 465.590 5.207 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000016729425 556154871 /nfs/dbraw/zinc/15/48/71/556154871.db2.gz LOTRQSFQXJTMDT-QFIPXVFZSA-N 0 1 493.585 5.207 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000016734807 556155778 /nfs/dbraw/zinc/15/57/78/556155778.db2.gz LDPKOZPHDNLDGC-VWLOTQADSA-N 0 1 482.561 5.501 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc4ccccc43)ccc2O1 ZINC000016750465 556156888 /nfs/dbraw/zinc/15/68/88/556156888.db2.gz APRXQKDSQFNQJP-DNOBIOAJSA-N 0 1 476.532 5.337 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016805710 556161705 /nfs/dbraw/zinc/16/17/05/556161705.db2.gz BKZXRQYHBBBJMH-RUZDIDTESA-N 0 1 491.971 5.534 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000017027192 556206844 /nfs/dbraw/zinc/20/68/44/556206844.db2.gz KJPJDPGDOUVKQM-LGGPFLRQSA-N 0 1 454.545 6.445 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000017147504 556226649 /nfs/dbraw/zinc/22/66/49/556226649.db2.gz VEQWQXXTDQTEHN-OAQYLSRUSA-N 0 1 455.407 5.936 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000017147506 556226764 /nfs/dbraw/zinc/22/67/64/556226764.db2.gz VEQWQXXTDQTEHN-NRFANRHFSA-N 0 1 455.407 5.936 50 30 JKEAMN O=c1nc(Nc2ccccc2)ccn1C(/N=C(/Cl)c1ccccc1)C(Cl)(Cl)Cl ZINC000017282254 556250546 /nfs/dbraw/zinc/25/05/46/556250546.db2.gz OWWPVCCHSWEGEZ-MOROIOLQSA-N 0 1 456.160 5.541 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000026458878 556254114 /nfs/dbraw/zinc/25/41/14/556254114.db2.gz KEIXZPRNPLUGSA-HSZRJFAPSA-N 0 1 463.505 5.503 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000026459034 556254545 /nfs/dbraw/zinc/25/45/45/556254545.db2.gz YGVBTGSHOICVJM-FQEVSTJZSA-N 0 1 476.287 5.513 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc4ccccc43)ccc2O1 ZINC000026842298 556264492 /nfs/dbraw/zinc/26/44/92/556264492.db2.gz YMAKGQRIHPBHER-WGDIFIGCSA-N 0 1 465.505 5.535 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc4ccccc43)ccc2O1 ZINC000026842302 556264499 /nfs/dbraw/zinc/26/44/99/556264499.db2.gz YMAKGQRIHPBHER-MRDQGFSESA-N 0 1 465.505 5.535 50 30 JKEAMN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(c3nc4ccc(Cl)cc4s3)[C@H]2c2cccs2)s1 ZINC000018030243 556277948 /nfs/dbraw/zinc/27/79/48/556277948.db2.gz YSGDJOUTLOZHEP-INIZCTEOSA-N 0 1 488.015 5.867 50 30 JKEAMN COc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000027519524 556282653 /nfs/dbraw/zinc/28/26/53/556282653.db2.gz IIUMOCITJAUCMU-WSDLNYQXSA-N 0 1 465.447 5.360 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000018107600 556288524 /nfs/dbraw/zinc/28/85/24/556288524.db2.gz VHRDKJPTQVRUAT-HHHXNRCGSA-N 0 1 452.554 6.152 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccco3)C2)cc1OC ZINC000018120567 556290355 /nfs/dbraw/zinc/29/03/55/556290355.db2.gz XORHDAIAVIRLJQ-CLYVBNDRSA-N 0 1 458.514 5.217 50 30 JKEAMN Cc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc32)c(C)c1 ZINC000018130786 556292605 /nfs/dbraw/zinc/29/26/05/556292605.db2.gz YWWHTVJCWACECD-SGWCAAJKSA-N 0 1 485.392 5.981 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000018137779 556292836 /nfs/dbraw/zinc/29/28/36/556292836.db2.gz ZVXNSLLIGIHBLO-HSZRJFAPSA-N 0 1 456.508 6.504 50 30 JKEAMN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000018137776 556292877 /nfs/dbraw/zinc/29/28/77/556292877.db2.gz JTBGSPUEJBIUGL-WBYAUDGUSA-N 0 1 475.526 5.422 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000018178951 556298702 /nfs/dbraw/zinc/29/87/02/556298702.db2.gz OBKLFTRSMQPSCU-AFJIDDCJSA-N 0 1 486.999 6.659 50 30 JKEAMN COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000018196104 556302835 /nfs/dbraw/zinc/30/28/35/556302835.db2.gz WOYRHDHDPYWAPU-JOCHJYFZSA-N 0 1 474.517 5.004 50 30 JKEAMN COc1cc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000018196111 556303081 /nfs/dbraw/zinc/30/30/81/556303081.db2.gz JBTYQUINQAUSJN-HSZRJFAPSA-N 0 1 488.544 5.312 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2c(Cl)cccc2Cl)cc1OC ZINC000018197999 556304737 /nfs/dbraw/zinc/30/47/37/556304737.db2.gz QRDFSQJWBXVQMM-DMZKTXOQSA-N 0 1 471.344 5.018 50 30 JKEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000027987732 556310877 /nfs/dbraw/zinc/31/08/77/556310877.db2.gz OFMZPPOKISLSNG-HHHXNRCGSA-N 0 1 485.540 5.311 50 30 JKEAMN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000018250717 556316172 /nfs/dbraw/zinc/31/61/72/556316172.db2.gz DJRTZFBDRLDZCA-WTYVLRPYSA-N 0 1 456.517 5.755 50 30 JKEAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000018250024 556316297 /nfs/dbraw/zinc/31/62/97/556316297.db2.gz YPEHFRBIXCMZQI-MHZLTWQESA-N 0 1 452.554 6.152 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(OCCCC)c1 ZINC000018250066 556316345 /nfs/dbraw/zinc/31/63/45/556316345.db2.gz WMDXJCIHSAHGSX-PMERELPUSA-N 0 1 488.672 7.589 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000018250744 556316689 /nfs/dbraw/zinc/31/66/89/556316689.db2.gz LYWQNZVLCGBJLO-KCWXNJEJSA-N 0 1 470.638 7.229 50 30 JKEAMN C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1c2ccccc2cc2ccccc21 ZINC000019682282 556359737 /nfs/dbraw/zinc/35/97/37/556359737.db2.gz DHQHXUJIQCFBIF-STKMKYKTSA-N 0 1 453.589 6.715 50 30 JKEAMN C=CC[NH+](CC=C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc21 ZINC000019793044 556372331 /nfs/dbraw/zinc/37/23/31/556372331.db2.gz PPFLPZMEPKWWCW-UHFFFAOYSA-N 0 1 459.464 6.046 50 30 JKEAMN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc([N+](=O)[O-])c1O ZINC000019794799 556373878 /nfs/dbraw/zinc/37/38/78/556373878.db2.gz DMMXWKBYJTVHEB-WGDIFIGCSA-N 0 1 471.513 5.679 50 30 JKEAMN Cc1cc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000019808168 556379896 /nfs/dbraw/zinc/37/98/96/556379896.db2.gz KATHTANNKBKCCD-LJAQVGFWSA-N 0 1 492.026 6.233 50 30 JKEAMN COc1ccc(Br)cc1/C=N/N=C1/SC(C)C(=O)N1Cc1cccc2ccccc21 ZINC000031879788 556409383 /nfs/dbraw/zinc/40/93/83/556409383.db2.gz GDFOLGCBAKLQLZ-WSZVJZFASA-N 0 1 482.403 5.465 50 30 JKEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1OCC ZINC000008384145 569589210 /nfs/dbraw/zinc/58/92/10/569589210.db2.gz ABSAKQXAWVHSFT-NRFANRHFSA-N 0 1 482.533 5.253 50 30 JKEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCOC)cc1OCC ZINC000008384134 569589218 /nfs/dbraw/zinc/58/92/18/569589218.db2.gz QMURDXFSQWHXLY-DEOSSOPVSA-N 0 1 485.552 5.018 50 30 JKEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000008384276 569589359 /nfs/dbraw/zinc/58/93/59/569589359.db2.gz LGOHRKLULCIDJQ-DEOSSOPVSA-N 0 1 459.498 5.022 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(OCCC(C)C)c2)o1 ZINC000008384306 569589385 /nfs/dbraw/zinc/58/93/85/569589385.db2.gz ZXTUTZGGPZSWFI-FQEVSTJZSA-N 0 1 452.532 5.252 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440599 569589996 /nfs/dbraw/zinc/58/99/96/569589996.db2.gz JMPUIRYWWOXSLF-XMMPIXPASA-N 0 1 463.574 5.164 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008440113 569590001 /nfs/dbraw/zinc/59/00/01/569590001.db2.gz FDGHULBLGPADIZ-HHHXNRCGSA-N 0 1 469.581 6.030 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008440117 569590063 /nfs/dbraw/zinc/59/00/63/569590063.db2.gz FDGHULBLGPADIZ-MHZLTWQESA-N 0 1 469.581 6.030 50 30 JKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008694288 569593021 /nfs/dbraw/zinc/59/30/21/569593021.db2.gz DKWYRTKFVLCLQK-MHZLTWQESA-N 0 1 462.590 6.037 50 30 JKEAMN C(=N/c1ccc(N2CCN(Cc3ccccc3)CC2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000057227609 569594910 /nfs/dbraw/zinc/59/49/10/569594910.db2.gz OEERFSNVQZXWHI-GZZLJNBRSA-N 0 1 455.605 7.066 50 30 JKEAMN CCCOc1c(I)cc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000008722657 569599104 /nfs/dbraw/zinc/59/91/04/569599104.db2.gz WLSSFCDTFOMANG-RGVLZGJSSA-N 0 1 467.332 5.144 50 30 JKEAMN O=C(Nc1ccc(Cl)cc1)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1Cl ZINC000064874105 569641379 /nfs/dbraw/zinc/64/13/79/569641379.db2.gz XFANLDNIYMHTRB-NRFANRHFSA-N 0 1 453.329 5.464 50 30 JKEAMN COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)c1 ZINC000064874046 569641396 /nfs/dbraw/zinc/64/13/96/569641396.db2.gz VUUFCPUXOVECIR-VWLOTQADSA-N 0 1 486.572 5.119 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2ccc(Cl)cc2Cl)C1 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/nfs/dbraw/zinc/82/63/61/569826361.db2.gz AHRJZTIJUXRHIO-JBCNATCCSA-N 0 1 462.477 5.509 50 30 JKEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102928418 569827251 /nfs/dbraw/zinc/82/72/51/569827251.db2.gz FQFMTZPQVIUQTR-NKHPTUSLSA-N 0 1 493.600 5.037 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102931580 569828425 /nfs/dbraw/zinc/82/84/25/569828425.db2.gz KVTOQCYVRDYYEY-MRJHHRETSA-N 0 1 478.476 5.209 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102931231 569828436 /nfs/dbraw/zinc/82/84/36/569828436.db2.gz BUDHECPAZSDKEI-HOGKFDNTSA-N 0 1 493.357 5.259 50 30 JKEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102931716 569828634 /nfs/dbraw/zinc/82/86/34/569828634.db2.gz YFMXUHMWRLITEH-NXLSWJSLSA-N 0 1 494.519 5.326 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102932372 569828872 /nfs/dbraw/zinc/82/88/72/569828872.db2.gz NJTMGDXJKBKZGX-MRJHHRETSA-N 0 1 489.484 5.278 50 30 JKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4cc5c(cc4Br)OCO5)cc3O)nc2c1 ZINC000103544130 569836092 /nfs/dbraw/zinc/83/60/92/569836092.db2.gz DEZLBZQJXXXJLN-YSURURNPSA-N 0 1 451.276 5.751 50 30 JKEAMN CCOc1ccc(/N=C2/S/C(=C\c3cc(Br)cc(Cl)c3O)C(=O)N2CC)cc1 ZINC000103697227 569837117 /nfs/dbraw/zinc/83/71/17/569837117.db2.gz YBPPEZUQFCTYFH-PQUPTFKKSA-N 0 1 481.799 5.831 50 30 JKEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 ZINC000103746593 569837654 /nfs/dbraw/zinc/83/76/54/569837654.db2.gz UTOGFWAFPBDMQU-ZZIIXHQDSA-N 0 1 460.555 5.072 50 30 JKEAMN CC(=O)Nc1cc(Nc2ccccc2/N=C/c2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000103916100 569838945 /nfs/dbraw/zinc/83/89/45/569838945.db2.gz QQRDQEXOKWNFCZ-ZMOGYAJESA-N 0 1 458.434 5.437 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000104096774 569840903 /nfs/dbraw/zinc/84/09/03/569840903.db2.gz IPHUEZPCKZBAPG-NHFXJNLRSA-N 0 1 452.825 5.014 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000104115041 569841098 /nfs/dbraw/zinc/84/10/98/569841098.db2.gz BCIWBMITIVDPMM-LFVOPCPISA-N 0 1 469.722 5.124 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000104198614 569842878 /nfs/dbraw/zinc/84/28/78/569842878.db2.gz WDXVCBLCYYMPHY-CJJGVWJISA-N 0 1 487.552 5.254 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000104200521 569842933 /nfs/dbraw/zinc/84/29/33/569842933.db2.gz RCPVLDWQMAWQOB-IUKMQXEJSA-N 0 1 479.617 5.540 50 30 JKEAMN COc1ccc(CN2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2)cc1 ZINC000226622748 570038096 /nfs/dbraw/zinc/03/80/96/570038096.db2.gz IVLKWMOZVCUMGY-GTYOFVGBSA-N 0 1 476.576 6.862 50 30 JKEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc(OCc2ccccc2)c1 ZINC000239174184 570049226 /nfs/dbraw/zinc/04/92/26/570049226.db2.gz PLYPCLDRALUXOL-UHFFFAOYSA-N 0 1 459.593 5.987 50 30 JKEAMN C=CCC[C@H](O)C[N@H+](CCC)CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1 ZINC000245327028 570065177 /nfs/dbraw/zinc/06/51/77/570065177.db2.gz HXCHHCFKIDHCNU-JYFHCDHNSA-N 0 1 484.706 5.415 50 30 JKEAMN Oc1ccccc1C=Nc1ccc2nc(C=Cc3cccc(N=Cc4ccccc4O)c3)[nH]c2c1 ZINC000252596352 570084534 /nfs/dbraw/zinc/08/45/34/570084534.db2.gz CIOVEHAHZMDTCI-QNCRIXAQSA-N 0 1 458.521 6.646 50 30 JKEAMN Cc1ccc2oc(-c3cc(N=Cc4cc(Cl)cc(Br)c4O)ccc3Cl)nc2c1 ZINC000252608366 570085764 /nfs/dbraw/zinc/08/57/64/570085764.db2.gz HJYWCTYMOZLAMC-UHFFFAOYSA-N 0 1 476.157 7.329 50 30 JKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000252635711 570089850 /nfs/dbraw/zinc/08/98/50/570089850.db2.gz WZTSLYRAKJXSPS-GEHGMHKESA-N 0 1 484.640 6.335 50 30 JKEAMN CCOc1ccc(N=C2S/C(=C/c3cc(Br)cc(Cl)c3O)C(=O)N2CC)cc1 ZINC000252638374 570090217 /nfs/dbraw/zinc/09/02/17/570090217.db2.gz YBPPEZUQFCTYFH-ZZYMSUEGSA-N 0 1 481.799 5.831 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000252642493 570090548 /nfs/dbraw/zinc/09/05/48/570090548.db2.gz ZMFMPQSQAHUMAH-UHFFFAOYSA-N 0 1 490.126 6.615 50 30 JKEAMN CCCCCCCCCNC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)oc1=O ZINC000263585318 570171104 /nfs/dbraw/zinc/17/11/04/570171104.db2.gz HHBOXAHEULASAV-HXUWFJFHSA-N 0 1 489.609 5.068 50 30 biogenic JKEAMN O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000328579015 570179036 /nfs/dbraw/zinc/17/90/36/570179036.db2.gz HXDPKBOBQQGQRQ-UHFFFAOYSA-N 0 1 492.522 5.127 50 30 JKEAMN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[NH3+] ZINC000032839018 571744828 /nfs/dbraw/zinc/74/48/28/571744828.db2.gz BBYWOYAFBUOUFP-JOCHJYFZSA-N 0 1 481.611 5.244 50 30 endogenous,in-man JKEAMN Cc1cc(C)c(/N=C2\[C@H](N3CCCC3)C3(CCCCC3)C(=S)N2c2ccccc2Cl)c(C)c1 ZINC000015861756 125185032 /nfs/dbraw/zinc/18/50/32/125185032.db2.gz DYONIOXNQXYZPJ-COLUNPBLSA-N 0 1 480.121 7.558 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000001161457 194055041 /nfs/dbraw/zinc/05/50/41/194055041.db2.gz RXLZMHCAOPJTKU-NRFANRHFSA-N 0 1 469.324 5.176 50 30 JKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000003113901 194227190 /nfs/dbraw/zinc/22/71/90/194227190.db2.gz ALPIPTWYBSKONJ-YCPBAFNGSA-N 0 1 480.120 7.159 50 30 JKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000003113746 194227246 /nfs/dbraw/zinc/22/72/46/194227246.db2.gz XBCBYTZMOBVKCS-YCPBAFNGSA-N 0 1 496.575 7.674 50 30 JKEAMN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1C ZINC000003114054 194227277 /nfs/dbraw/zinc/22/72/77/194227277.db2.gz KTAUDOSDXFZVJG-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000003113721 194227312 /nfs/dbraw/zinc/22/73/12/194227312.db2.gz NTVBGVGCWWYAHU-YCPBAFNGSA-N 0 1 496.575 7.674 50 30 JKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c(O)c1Br ZINC000003114178 194227475 /nfs/dbraw/zinc/22/74/75/194227475.db2.gz GERSNSPKGADEIN-NSKAYECMSA-N 0 1 473.729 7.123 50 30 JKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(O)c1Br ZINC000003114317 194227483 /nfs/dbraw/zinc/22/74/83/194227483.db2.gz FEHRVEIPTXDRSY-NSKAYECMSA-N 0 1 490.184 7.637 50 30 JKEAMN Cc1cccc2oc(-c3cccc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4O)c3)nc21 ZINC000003114160 194227607 /nfs/dbraw/zinc/22/76/07/194227607.db2.gz CZQXCCYFBIFCJU-KBKYJPHKSA-N 0 1 469.766 7.292 50 30 JKEAMN Cc1ccc(-c2csc([C@@H](C#N)C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)n2)cc1 ZINC000003425284 194319947 /nfs/dbraw/zinc/31/99/47/194319947.db2.gz PXWVCOMUWMPKCR-QHCPKHFHSA-N 0 1 487.606 5.434 50 30 JKEAMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)n2)cc1 ZINC000003425284 194319950 /nfs/dbraw/zinc/31/99/50/194319950.db2.gz PXWVCOMUWMPKCR-QHCPKHFHSA-N 0 1 487.606 5.434 50 30 JKEAMN COc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000004136565 194380838 /nfs/dbraw/zinc/38/08/38/194380838.db2.gz GSBZKXLAEKJBCR-RPPGKUMJSA-N 0 1 464.513 5.353 50 30 JKEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012641697 195071453 /nfs/dbraw/zinc/07/14/53/195071453.db2.gz QWAMNCVAANZPLI-OAQYLSRUSA-N 0 1 453.947 5.231 50 30 JKEAMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000012652200 195076404 /nfs/dbraw/zinc/07/64/04/195076404.db2.gz VKEWOQQUDFPETM-SANMLTNESA-N 0 1 458.945 6.169 50 30 JKEAMN N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cc(Cl)cc(Cl)c2O)cc1 ZINC000095626602 129917667 /nfs/dbraw/zinc/91/76/67/129917667.db2.gz BPJRDBPYXYQDKC-IPBVOBEMSA-N 0 1 451.231 7.132 50 30 JKEAMN Cc1cccc(C(C)C)c1NC(=O)C(=O)[C@H](C(=O)C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000102299960 130118774 /nfs/dbraw/zinc/11/87/74/130118774.db2.gz PFTXEIWGBUZSCG-VRCNQZMNSA-N 0 1 481.548 5.436 50 30 JKEAMN Cc1cccc(C(C)C)c1NC(=O)C(=O)[C@@H](C(=O)C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000102299957 130118806 /nfs/dbraw/zinc/11/88/06/130118806.db2.gz PFTXEIWGBUZSCG-JIFMGABTSA-N 0 1 481.548 5.436 50 30 JKEAMN Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@H](C(=O)C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000102299930 130118929 /nfs/dbraw/zinc/11/89/29/130118929.db2.gz FTTKFDCSVAEVNL-NRDPXKIFSA-N 0 1 495.575 5.611 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(OC(C)C)cc2)no1 ZINC000102374162 130124199 /nfs/dbraw/zinc/12/41/99/130124199.db2.gz ROQMRNFDMAPCIA-MRJHHRETSA-N 0 1 452.894 5.050 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102431054 130129958 /nfs/dbraw/zinc/12/99/58/130129958.db2.gz CAAIJHGBUNHTFG-MOBKVPTQSA-N 0 1 483.351 5.327 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102482324 130135873 /nfs/dbraw/zinc/13/58/73/130135873.db2.gz INDOYDFXYSMEEH-YDJIHCHBSA-N 0 1 499.350 6.369 50 30 JKEAMN COc1cccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000102484910 130139068 /nfs/dbraw/zinc/13/90/68/130139068.db2.gz ZVBVQXCBWYNHEI-SBXHHDGASA-N 0 1 456.542 5.010 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102485457 130139589 /nfs/dbraw/zinc/13/95/89/130139589.db2.gz KYAYDOPDIVHTRA-MRJHHRETSA-N 0 1 462.477 5.509 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(C(C)C)cc2)o1 ZINC000102486764 130141240 /nfs/dbraw/zinc/14/12/40/130141240.db2.gz DEPNLMWYCZPRPN-MOBKVPTQSA-N 0 1 476.529 6.087 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(C(C)C)cc2)o1 ZINC000102486773 130141263 /nfs/dbraw/zinc/14/12/63/130141263.db2.gz DEPNLMWYCZPRPN-HOGKFDNTSA-N 0 1 476.529 6.087 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102491660 130145730 /nfs/dbraw/zinc/14/57/30/130145730.db2.gz CAKIAZIEMFVTQC-OTQMSCLFSA-N 0 1 473.525 5.014 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102501454 130155544 /nfs/dbraw/zinc/15/55/44/130155544.db2.gz NFELDCVZQIEDJD-JBCNATCCSA-N 0 1 478.476 5.209 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1 ZINC000102513375 130167341 /nfs/dbraw/zinc/16/73/41/130167341.db2.gz QGPZGHAFCJGCGE-GHNGSUTGSA-N 0 1 470.934 5.777 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102519369 130172334 /nfs/dbraw/zinc/17/23/34/130172334.db2.gz ALGQIIYHDWOYSK-NHFXJNLRSA-N 0 1 496.541 5.140 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000102519363 130172415 /nfs/dbraw/zinc/17/24/15/130172415.db2.gz ALGQIIYHDWOYSK-YDJIHCHBSA-N 0 1 496.541 5.140 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102522750 130175260 /nfs/dbraw/zinc/17/52/60/130175260.db2.gz TWKPGJPPIITOPD-WOOAAIBNSA-N 0 1 466.971 5.946 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000102526635 130179141 /nfs/dbraw/zinc/17/91/41/130179141.db2.gz ZUJALVCKOPBZQG-JBCNATCCSA-N 0 1 462.477 5.509 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102529753 130183164 /nfs/dbraw/zinc/18/31/64/130183164.db2.gz CJQNUILGEOGBDV-NHFXJNLRSA-N 0 1 457.835 5.985 50 30 JKEAMN COc1ccccc1[C@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102537187 130192205 /nfs/dbraw/zinc/19/22/05/130192205.db2.gz HVMURXYJRAHRNB-WOOAAIBNSA-N 0 1 466.515 5.132 50 30 JKEAMN COc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102537179 130192357 /nfs/dbraw/zinc/19/23/57/130192357.db2.gz HVMURXYJRAHRNB-LFVOPCPISA-N 0 1 466.515 5.132 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000102540934 130196483 /nfs/dbraw/zinc/19/64/83/130196483.db2.gz LRVZFYHQJWCEBF-LFVOPCPISA-N 0 1 489.380 5.702 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000102542957 130199032 /nfs/dbraw/zinc/19/90/32/130199032.db2.gz PMNAFTWSQHUSPT-MWCANZRFSA-N 0 1 473.956 5.328 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2F)cc1 ZINC000102580039 130215879 /nfs/dbraw/zinc/21/58/79/130215879.db2.gz OAXFLONYJPQQFX-JBCNATCCSA-N 0 1 471.406 5.479 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2cccc(F)c2)cc1 ZINC000102592715 130218653 /nfs/dbraw/zinc/21/86/53/130218653.db2.gz ACVNHEDHPRWRMR-MRJHHRETSA-N 0 1 455.407 5.779 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000102600970 130220267 /nfs/dbraw/zinc/22/02/67/130220267.db2.gz RYTBUWSLGWDXMH-YDJIHCHBSA-N 0 1 452.825 5.014 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102611750 130223396 /nfs/dbraw/zinc/22/33/96/130223396.db2.gz RRIVMHJYIHZOJN-MRJHHRETSA-N 0 1 482.414 5.548 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102696079 130242516 /nfs/dbraw/zinc/24/25/16/130242516.db2.gz LYWRPIROZQVIQC-MOBKVPTQSA-N 0 1 474.538 5.477 50 30 JKEAMN 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CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCCOC)cc1 ZINC000102728753 130273037 /nfs/dbraw/zinc/27/30/37/130273037.db2.gz VAEAKWRRAPVYLA-DFXXOVSGSA-N 0 1 499.607 5.595 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102735079 130279386 /nfs/dbraw/zinc/27/93/86/130279386.db2.gz WPQPFNIZWSKDNN-JLPDLQRYSA-N 0 1 481.592 5.929 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000102771036 130295482 /nfs/dbraw/zinc/29/54/82/130295482.db2.gz QBZOMMJDNVCOHM-IIHDFJPDSA-N 0 1 473.956 5.328 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102799846 130309159 /nfs/dbraw/zinc/30/91/59/130309159.db2.gz AFCIVYJHFAACDO-SELCWUDQSA-N 0 1 481.486 5.031 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000102800172 130309451 /nfs/dbraw/zinc/30/94/51/130309451.db2.gz UGAQPHLDQMVISM-IBOXJLQUSA-N 0 1 475.751 5.185 50 30 JKEAMN 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O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1cccs1)c1ccccc1 ZINC000102867192 130339980 /nfs/dbraw/zinc/33/99/80/130339980.db2.gz UPIKXDMAVUFQTC-LFVOPCPISA-N 0 1 491.619 5.518 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1cccs1)c1ccccc1 ZINC000102867195 130340799 /nfs/dbraw/zinc/34/07/99/130340799.db2.gz UPIKXDMAVUFQTC-WOOAAIBNSA-N 0 1 491.619 5.518 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000102872764 130344266 /nfs/dbraw/zinc/34/42/66/130344266.db2.gz GFFIZMQBDHMOFF-NHFXJNLRSA-N 0 1 458.728 6.273 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 ZINC000102874178 130346217 /nfs/dbraw/zinc/34/62/17/130346217.db2.gz NHSIRSOFLQRSRK-JBCNATCCSA-N 0 1 460.511 5.223 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000102875629 130347607 /nfs/dbraw/zinc/34/76/07/130347607.db2.gz QPCUWDLGNHBFEQ-WOOAAIBNSA-N 0 1 466.515 5.132 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102875547 130347644 /nfs/dbraw/zinc/34/76/44/130347644.db2.gz BNKJNRVRIPATTD-PLWHFILJSA-N 0 1 453.538 5.194 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102875428 130347679 /nfs/dbraw/zinc/34/76/79/130347679.db2.gz MMFFFBPVZRFRQZ-MOBKVPTQSA-N 0 1 481.335 5.578 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102879222 130354215 /nfs/dbraw/zinc/35/42/15/130354215.db2.gz SESQIHYRGRFSCT-LFVOPCPISA-N 0 1 450.516 5.432 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102881920 130359455 /nfs/dbraw/zinc/35/94/55/130359455.db2.gz ZZGWXSUNZWHFTF-JBCNATCCSA-N 0 1 497.345 5.161 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102884519 130365713 /nfs/dbraw/zinc/36/57/13/130365713.db2.gz KYUYANCDKHEPSQ-MRJHHRETSA-N 0 1 476.941 5.585 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000102925613 130396130 /nfs/dbraw/zinc/39/61/30/130396130.db2.gz UVCVKZJKKUSGIP-UYTDBDHRSA-N 0 1 465.383 5.755 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102927076 130399435 /nfs/dbraw/zinc/39/94/35/130399435.db2.gz SHHNHUMGWBIWID-MRJHHRETSA-N 0 1 494.931 5.724 50 30 JKEAMN C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1)c1ccccc1 ZINC000009354957 518368171 /nfs/dbraw/zinc/36/81/71/518368171.db2.gz JIPIGHDUWIGMKF-UHFFFAOYSA-N 0 1 472.591 8.478 50 30 JKEAMN CC(N=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O ZINC000020414135 518463500 /nfs/dbraw/zinc/46/35/00/518463500.db2.gz IQOLQMMHODUDEP-AERZKKPOSA-N 0 1 453.160 5.370 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302817 518722868 /nfs/dbraw/zinc/72/28/68/518722868.db2.gz UCZWYXKNVDDJAI-QHCPKHFHSA-N 0 1 463.622 5.775 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303792 518723423 /nfs/dbraw/zinc/72/34/23/518723423.db2.gz GVKUNNYPWHTPOG-QHCPKHFHSA-N 0 1 454.014 6.166 50 30 JKEAMN C=CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccc(F)cc2)c1Oc1ccccc1)C(C)C ZINC000036303451 518726270 /nfs/dbraw/zinc/72/62/70/518726270.db2.gz ROSIKQWVIWVRCW-QHCPKHFHSA-N 0 1 451.586 5.904 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036304278 518986291 /nfs/dbraw/zinc/98/62/91/518986291.db2.gz VXMRGQNLGFJHDF-QHCPKHFHSA-N 0 1 483.559 5.027 50 30 JKEAMN CC(C)(C)c1cc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc(C(C)(C)C)c1O ZINC000019773319 518991362 /nfs/dbraw/zinc/99/13/62/518991362.db2.gz FBKJOCAYFWVZHZ-AJBULDERSA-N 0 1 457.662 6.292 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)CC1CC1 ZINC000036304281 518992959 /nfs/dbraw/zinc/99/29/59/518992959.db2.gz VXMRGQNLGFJHDF-HSZRJFAPSA-N 0 1 483.559 5.027 50 30 JKEAMN CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3o2)cc1 ZINC000003082909 519009786 /nfs/dbraw/zinc/00/97/86/519009786.db2.gz BUSYGTQKLKHJAQ-UVHMKAGCSA-N 0 1 483.793 7.664 50 30 JKEAMN CC(C)(C)c1ccc(-c2nc(C#N)c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)cc1 ZINC000020436800 519009833 /nfs/dbraw/zinc/00/98/33/519009833.db2.gz XNJKWVYQFFPYKM-UHFFFAOYSA-N 0 1 476.624 6.422 50 30 JKEAMN C=CCOc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000002972701 519012539 /nfs/dbraw/zinc/01/25/39/519012539.db2.gz NUUWOBQYVUHJLP-JLHYYAGUSA-N 0 1 463.342 5.238 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016731703 519018281 /nfs/dbraw/zinc/01/82/81/519018281.db2.gz DVLNQJIVIWQDBN-OAQYLSRUSA-N 0 1 476.356 5.173 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016731700 519021030 /nfs/dbraw/zinc/02/10/30/519021030.db2.gz DVLNQJIVIWQDBN-NRFANRHFSA-N 0 1 476.356 5.173 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000016731585 519022883 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/nfs/dbraw/zinc/25/02/52/522250252.db2.gz LSVAJAVSJVHPFK-OAQYLSRUSA-N 0 1 457.534 5.252 50 30 JKEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000009471208 522920463 /nfs/dbraw/zinc/92/04/63/522920463.db2.gz KJYSMBUGOQUYJO-XMMPIXPASA-N 0 1 494.519 5.339 50 30 JKEAMN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000015277505 522932261 /nfs/dbraw/zinc/93/22/61/522932261.db2.gz AIMNKVMKKRXZCZ-NPMABZOXSA-N 0 1 463.515 5.350 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009086303 523276879 /nfs/dbraw/zinc/27/68/79/523276879.db2.gz USBURGONCTXCSK-DEOSSOPVSA-N 0 1 477.944 5.747 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009380556 523278073 /nfs/dbraw/zinc/27/80/73/523278073.db2.gz CTABYCHOQWVHKE-RUZDIDTESA-N 0 1 457.526 5.402 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(F)cc1 ZINC000009462184 523283135 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COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413467 553967926 /nfs/dbraw/zinc/96/79/26/553967926.db2.gz OWLVAHSWEXUQCE-RUZDIDTESA-N 0 1 486.955 5.651 50 30 JKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)C(=O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000001413468 553967954 /nfs/dbraw/zinc/96/79/54/553967954.db2.gz QMLLDIPHGCUPQK-VWLOTQADSA-N 0 1 486.955 5.651 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(OC)c2)cc1 ZINC000001413492 553967983 /nfs/dbraw/zinc/96/79/83/553967983.db2.gz YUVOGZBZQXHSNH-SANMLTNESA-N 0 1 482.536 5.006 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414687 553968379 /nfs/dbraw/zinc/96/83/79/553968379.db2.gz JFOHAYZWZIJYMV-SANMLTNESA-N 0 1 466.537 5.306 50 30 JKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1 ZINC000001414742 553968560 /nfs/dbraw/zinc/96/85/60/553968560.db2.gz JRVFUFHPSREZGX-XMMPIXPASA-N 0 1 458.464 5.267 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001414707 553968608 /nfs/dbraw/zinc/96/86/08/553968608.db2.gz CWLGASDIMNNJLK-MHZLTWQESA-N 0 1 496.563 5.315 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414717 553968689 /nfs/dbraw/zinc/96/86/89/553968689.db2.gz JMTWKHXABFPZKX-MHZLTWQESA-N 0 1 480.564 5.696 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414746 553968970 /nfs/dbraw/zinc/96/89/70/553968970.db2.gz KLSXHIFVUNXALR-AREMUKBSSA-N 0 1 468.528 5.690 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414747 553969072 /nfs/dbraw/zinc/96/90/72/553969072.db2.gz MDGQZCWRNNJXNC-MHZLTWQESA-N 0 1 482.555 6.251 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c(C)[nH]c4ccccc43)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001423448 553969841 /nfs/dbraw/zinc/96/98/41/553969841.db2.gz JDLDEVJUHIOLNN-AREMUKBSSA-N 0 1 484.527 5.445 50 30 JKEAMN 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CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008896128 554785664 /nfs/dbraw/zinc/78/56/64/554785664.db2.gz QZWQUKXAAVRZSE-JOCHJYFZSA-N 0 1 482.920 5.217 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008896096 554785669 /nfs/dbraw/zinc/78/56/69/554785669.db2.gz RWEJZPWAXXADQP-OAQYLSRUSA-N 0 1 452.894 5.208 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008896099 554785685 /nfs/dbraw/zinc/78/56/85/554785685.db2.gz RWEJZPWAXXADQP-NRFANRHFSA-N 0 1 452.894 5.208 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008914063 554807070 /nfs/dbraw/zinc/80/70/70/554807070.db2.gz UNJGSMILMNEHHS-JOCHJYFZSA-N 0 1 492.959 6.434 50 30 JKEAMN C=CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2cccc(C)c2)n1 ZINC000008916261 554810495 /nfs/dbraw/zinc/81/04/95/554810495.db2.gz DILZXMYHQJUIEW-UHFFFAOYSA-N 0 1 478.961 5.967 50 30 JKEAMN 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CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C=O)[C@@H]3c2cccs2)cc1 ZINC000008984724 554848572 /nfs/dbraw/zinc/84/85/72/554848572.db2.gz LEYMVTVEFUANLG-UZTOHYMASA-N 0 1 456.611 6.576 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000008987336 554849877 /nfs/dbraw/zinc/84/98/77/554849877.db2.gz MTJNPRASSNVLJH-FQEVSTJZSA-N 0 1 464.905 5.872 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000008988069 554850421 /nfs/dbraw/zinc/85/04/21/554850421.db2.gz MSYDUEXKRMCRIQ-NRFANRHFSA-N 0 1 476.941 5.741 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008996635 554857616 /nfs/dbraw/zinc/85/76/16/554857616.db2.gz VPQUNQWBVQVPDE-HXUWFJFHSA-N 0 1 473.312 5.471 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008997026 554858587 /nfs/dbraw/zinc/85/85/87/554858587.db2.gz FHHMBBAAUGGISM-OAQYLSRUSA-N 0 1 495.329 5.093 50 30 JKEAMN 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Oc1c(Br)cc2oc3c(c2c1/C=N/N(c1ccccc1)c1ccccc1)CCCC3 ZINC000013773760 555615248 /nfs/dbraw/zinc/61/52/48/555615248.db2.gz YRNDUJIZVXJJJM-JVWAILMASA-N 0 1 461.359 6.952 50 30 JKEAMN N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000013801267 555621836 /nfs/dbraw/zinc/62/18/36/555621836.db2.gz NXMWATFJGLJSEA-SANMLTNESA-N 0 1 489.623 5.055 50 30 JKEAMN N#CC(C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000013810572 555625834 /nfs/dbraw/zinc/62/58/34/555625834.db2.gz XMYRQYQPQYUKEX-RUZDIDTESA-N 0 1 475.596 5.012 50 30 JKEAMN O=[N+]([O-])c1ccc(OCCCOc2ccc(Cl)cc2)c(C=NNc2nc3ccccc3s2)c1 ZINC000013894365 555641928 /nfs/dbraw/zinc/64/19/28/555641928.db2.gz FLLZLLMUNVMMRO-MFKUBSTISA-N 0 1 482.949 6.152 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000013898272 555644879 /nfs/dbraw/zinc/64/48/79/555644879.db2.gz VTTUVDAXVNXSJB-WKRVVKTRSA-N 0 1 496.626 7.434 50 30 JKEAMN CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN(Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000020111564 555648268 /nfs/dbraw/zinc/64/82/68/555648268.db2.gz FICLHMZQURYKDA-YUJJRVTMSA-N 0 1 465.637 6.790 50 30 biogenic JKEAMN CN(C)c1ccc([C@@H]2c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134899 555659349 /nfs/dbraw/zinc/65/93/49/555659349.db2.gz CYUYPSQMSFPWAG-NRFANRHFSA-N 0 1 457.534 5.252 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc([N+](=O)[O-])cc3)c1[C@H]2c1cccc(Br)c1 ZINC000020135266 555659691 /nfs/dbraw/zinc/65/96/91/555659691.db2.gz MBMRPNNGDWXBRI-IBGZPJMESA-N 0 1 493.361 5.948 50 30 JKEAMN CCCCCCCCCCCCCCCCCCO[P@](=O)([O-])OCC[P+](C)(C)C ZINC000014285405 555791310 /nfs/dbraw/zinc/79/13/10/555791310.db2.gz LKRUUBNORFYVBG-UHFFFAOYSA-O 0 1 453.605 8.289 50 30 JKEAMN Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000015859824 556031340 /nfs/dbraw/zinc/03/13/40/556031340.db2.gz QZXLABFQFVQTSW-GFCCVEGCSA-N 0 1 459.358 5.455 50 30 JKEAMN C=CCn1c(=S)n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1-c1ccncc1 ZINC000023249109 556034906 /nfs/dbraw/zinc/03/49/06/556034906.db2.gz CZVNIOXCQAUOEX-UHFFFAOYSA-N 0 1 482.657 5.027 50 30 JKEAMN CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000012628477 556092972 /nfs/dbraw/zinc/09/29/72/556092972.db2.gz MZRFXPHVZPMTEA-DENIHFKCSA-N 0 1 466.990 5.283 50 30 JKEAMN CN(C)[C@H](CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000012628466 556093020 /nfs/dbraw/zinc/09/30/20/556093020.db2.gz MZRFXPHVZPMTEA-KNQAVFIVSA-N 0 1 466.990 5.283 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000024080661 556119118 /nfs/dbraw/zinc/11/91/18/556119118.db2.gz NHZUUYMVPMCDAO-VWLOTQADSA-N 0 1 478.633 5.221 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000016713777 556154546 /nfs/dbraw/zinc/15/45/46/556154546.db2.gz UDLWDHGKQHDKAI-SANMLTNESA-N 0 1 492.660 5.467 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000016713777 556154549 /nfs/dbraw/zinc/15/45/49/556154549.db2.gz UDLWDHGKQHDKAI-SANMLTNESA-N 0 1 492.660 5.467 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 ZINC000016713708 556154558 /nfs/dbraw/zinc/15/45/58/556154558.db2.gz TZEGZZIRECGMCZ-QHCPKHFHSA-N 0 1 462.571 5.265 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(Cl)cc1 ZINC000016713792 556154652 /nfs/dbraw/zinc/15/46/52/556154652.db2.gz SOSWZYPHTUVDJB-QHCPKHFHSA-N 0 1 471.981 5.298 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000016734370 556155650 /nfs/dbraw/zinc/15/56/50/556155650.db2.gz ZBDCROJZVIUPAE-XMMPIXPASA-N 0 1 459.498 5.022 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OCC)c2)cc1 ZINC000016734361 556155713 /nfs/dbraw/zinc/15/57/13/556155713.db2.gz KZOHMHPJKNOPOQ-DEOSSOPVSA-N 0 1 459.498 5.022 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000016805656 556161565 /nfs/dbraw/zinc/16/15/65/556161565.db2.gz PYLIBIIJHLWROT-JOCHJYFZSA-N 0 1 471.981 5.261 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000016805631 556161709 /nfs/dbraw/zinc/16/17/09/556161709.db2.gz JJBADZBDEBWGNS-HSZRJFAPSA-N 0 1 471.981 5.477 50 30 JKEAMN CCOc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(OC)c(OCc3ccccc3)c2)c1 ZINC000017015941 556204628 /nfs/dbraw/zinc/20/46/28/556204628.db2.gz YGUCHPFPHNQYOL-WGOQTCKBSA-N 0 1 460.559 5.476 50 30 JKEAMN O=C(CSc1nnc(C(N=Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)o1)c1ccc(Cl)cc1 ZINC000025575156 556222104 /nfs/dbraw/zinc/22/21/04/556222104.db2.gz OJFFSZVXHWOVAJ-YYADALCUSA-N 0 1 493.932 5.471 50 30 JKEAMN CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CCCC2 ZINC000017730044 556265199 /nfs/dbraw/zinc/26/51/99/556265199.db2.gz DJYVACVVCWVZQO-ZVBGSRNCSA-N 0 1 487.213 5.785 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000027023706 556271628 /nfs/dbraw/zinc/27/16/28/556271628.db2.gz VRAWRPQQRSANTI-IBGZPJMESA-N 0 1 459.716 5.825 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018057658 556281014 /nfs/dbraw/zinc/28/10/14/556281014.db2.gz IBOGDIMUYJIEHW-WINIVTDRSA-N 0 1 460.936 6.400 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(OC)c2)cc1 ZINC000018066749 556282710 /nfs/dbraw/zinc/28/27/10/556282710.db2.gz MWOMBNKHBHRFCS-PBBNMVCDSA-N 0 1 468.553 5.624 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccco3)C2)cc1OC ZINC000018103131 556288055 /nfs/dbraw/zinc/28/80/55/556288055.db2.gz XORHDAIAVIRLJQ-MYUZEXMDSA-N 0 1 458.514 5.217 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000018116209 556289606 /nfs/dbraw/zinc/28/96/06/556289606.db2.gz JPMTYYYQQDFFJS-AREMUKBSSA-N 0 1 490.525 7.162 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000018119720 556290388 /nfs/dbraw/zinc/29/03/88/556290388.db2.gz IBOGDIMUYJIEHW-UZTOHYMASA-N 0 1 460.936 6.400 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C#N)cc1 ZINC000018136891 556292578 /nfs/dbraw/zinc/29/25/78/556292578.db2.gz ZMLGDYGIDZKQKD-KMRXNPHXSA-N 0 1 451.501 5.618 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(F)c2)cc1 ZINC000018155483 556295609 /nfs/dbraw/zinc/29/56/09/556295609.db2.gz DZVOUJLBMPENSE-PIIWDFAUSA-N 0 1 456.517 5.755 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(OC)c2)cc1 ZINC000018156511 556295822 /nfs/dbraw/zinc/29/58/22/556295822.db2.gz MWOMBNKHBHRFCS-KCWXNJEJSA-N 0 1 468.553 5.624 50 30 JKEAMN O=C(C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1 ZINC000018180688 556299053 /nfs/dbraw/zinc/29/90/53/556299053.db2.gz DMBQCQDTTKTBSE-UAPGPWSHSA-N 0 1 480.387 5.614 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2c(Cl)cccc2Cl)cc1OC ZINC000018197995 556304704 /nfs/dbraw/zinc/30/47/04/556304704.db2.gz QRDFSQJWBXVQMM-MCMMXHMISA-N 0 1 471.344 5.018 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2c(Cl)cccc2Cl)cc1OC ZINC000018197997 556304717 /nfs/dbraw/zinc/30/47/17/556304717.db2.gz QRDFSQJWBXVQMM-XMHCIUCPSA-N 0 1 471.344 5.018 50 30 JKEAMN O=C1CCCC2=C1[C@@H](c1cccc(Cl)c1Cl)n1nc(SCc3ccccn3)nc1N2 ZINC000018198807 556305903 /nfs/dbraw/zinc/30/59/03/556305903.db2.gz DYODENUATHRHGM-LJQANCHMSA-N 0 1 458.374 5.294 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000018202877 556309217 /nfs/dbraw/zinc/30/92/17/556309217.db2.gz VXIAOUMLMFQQOR-WTYVLRPYSA-N 0 1 456.973 6.651 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2ccc(F)cc2)cc1 ZINC000018202936 556309301 /nfs/dbraw/zinc/30/93/01/556309301.db2.gz DTLPAZMSUHXOIQ-WKRVVKTRSA-N 0 1 498.598 6.781 50 30 JKEAMN COc1ccc2c(c1)c(/C=C1\Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C1=O)cn2C ZINC000028182429 556316122 /nfs/dbraw/zinc/31/61/22/556316122.db2.gz QKPDWGYZXFACBT-ZMFRSBBQSA-N 0 1 454.526 5.141 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000018250739 556316616 /nfs/dbraw/zinc/31/66/16/556316616.db2.gz LYWQNZVLCGBJLO-PBBNMVCDSA-N 0 1 470.638 7.229 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccs1 ZINC000018250730 556316713 /nfs/dbraw/zinc/31/67/13/556316713.db2.gz IXPOBCVUTCJUTR-AFJIDDCJSA-N 0 1 488.628 7.368 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccnc2)cc1OC ZINC000018323915 556319558 /nfs/dbraw/zinc/31/95/58/556319558.db2.gz BUHHCAPCQHGITF-PBBNMVCDSA-N 0 1 495.579 5.409 50 30 JKEAMN COc1ccc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)cc1OCc1ccccc1 ZINC000019594649 556356519 /nfs/dbraw/zinc/35/65/19/556356519.db2.gz ADXJZOJSXLDMRP-NJZRLIGZSA-N 0 1 465.597 5.579 50 30 JKEAMN C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000019682244 556359827 /nfs/dbraw/zinc/35/98/27/556359827.db2.gz BWRXETOEVLDGAG-WEMUVCOSSA-N 0 1 459.593 5.987 50 30 JKEAMN C=CC[NH+](CC=C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21 ZINC000019793019 556371946 /nfs/dbraw/zinc/37/19/46/556371946.db2.gz YQMUGGZRQWPYFR-UHFFFAOYSA-N 0 1 465.855 6.137 50 30 JKEAMN CCOc1ccc(CC2S/C(=N/N=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)NC2=O)cc1 ZINC000019800254 556377188 /nfs/dbraw/zinc/37/71/88/556377188.db2.gz DRQPSVORTBONLQ-VOZXZEHESA-N 0 1 487.503 5.528 50 30 JKEAMN CSc1nc(-c2ccc(C)cc2)c(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019820504 556389894 /nfs/dbraw/zinc/38/98/94/556389894.db2.gz JDSCECLJUXKCQX-UHFFFAOYSA-N 0 1 491.664 5.957 50 30 JKEAMN CCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000031870557 556409134 /nfs/dbraw/zinc/40/91/34/556409134.db2.gz MKAPURLHYYUIIC-IVCJTWACSA-N 0 1 496.430 5.855 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2OC)cc1 ZINC000008438764 562939334 /nfs/dbraw/zinc/93/93/34/562939334.db2.gz OSFUKKXMEAGNGB-SANMLTNESA-N 0 1 482.536 5.006 50 30 JKEAMN CCCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)cc1 ZINC000008445112 569590538 /nfs/dbraw/zinc/59/05/38/569590538.db2.gz PJBRAPMNULBSBF-UGDMGKLASA-N 0 1 496.607 6.405 50 30 JKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008695134 569593511 /nfs/dbraw/zinc/59/35/11/569593511.db2.gz QZKWUKUVRQKCFL-MUUNZHRXSA-N 0 1 492.619 6.595 50 30 JKEAMN Clc1ccc(Cl)c(-c2ccc(CN=Nc3nc(Nc4ccccc4)nc(N4CCCC4)n3)o2)c1 ZINC000008695526 569593707 /nfs/dbraw/zinc/59/37/07/569593707.db2.gz SXAHTKAMZMYUSV-JFLMPSFJSA-N 0 1 494.386 6.228 50 30 JKEAMN N#Cc1c2c(sc1Nc1nc3ccccc3nc1N1CCN(Cc3ccccc3)CC1)CCCC2 ZINC000057058938 569594250 /nfs/dbraw/zinc/59/42/50/569594250.db2.gz ZCHMCIYCMCIZTA-UHFFFAOYSA-N 0 1 480.641 5.508 50 30 JKEAMN Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2c(F)cccc2Cl)cc1 ZINC000064775611 569627707 /nfs/dbraw/zinc/62/77/07/569627707.db2.gz KVMLKOJVATZXJF-QFIPXVFZSA-N 0 1 450.901 5.258 50 30 JKEAMN O=C(Nc1ccc(Cl)cc1)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccccc1Cl ZINC000064874104 569641451 /nfs/dbraw/zinc/64/14/51/569641451.db2.gz XFANLDNIYMHTRB-OAQYLSRUSA-N 0 1 453.329 5.464 50 30 JKEAMN O=C(Nc1ccc(Cl)cc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1c(Cl)cccc1Cl ZINC000064874244 569641508 /nfs/dbraw/zinc/64/15/08/569641508.db2.gz PRFVCDYORWGNEU-NRFANRHFSA-N 0 1 487.774 6.118 50 30 JKEAMN O=C(Nc1ccc(F)cc1)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000064874231 569641520 /nfs/dbraw/zinc/64/15/20/569641520.db2.gz KAJVCKOCGLMZEE-NRFANRHFSA-N 0 1 471.319 5.603 50 30 JKEAMN O=C(Nc1ccc(F)cc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1c(Cl)cccc1Cl ZINC000064874239 569641567 /nfs/dbraw/zinc/64/15/67/569641567.db2.gz WNZQHQSYAQZRLF-OAQYLSRUSA-N 0 1 471.319 5.603 50 30 JKEAMN N#Cc1c(=O)[nH]c(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc43)cc2)cc1-c1ccccc1 ZINC000066088673 569676786 /nfs/dbraw/zinc/67/67/86/569676786.db2.gz GIPRXANXGBSKLY-UHFFFAOYSA-N 0 1 482.465 6.891 50 30 JKEAMN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@H](c1ccco1)N1CCCC1 ZINC000035671611 569706193 /nfs/dbraw/zinc/70/61/93/569706193.db2.gz RTZBJTJNSYRMJN-XMMPIXPASA-N 0 1 488.975 6.288 50 30 JKEAMN CC(C)c1ccc([C@@H](CNc2oc(COc3ccc(Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000035671601 569706235 /nfs/dbraw/zinc/70/62/35/569706235.db2.gz KYADFQQWKXESDB-RUZDIDTESA-N 0 1 479.024 6.541 50 30 JKEAMN CCc1ccc([C@@H](CNc2oc(COc3ccc(Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000035671586 569706272 /nfs/dbraw/zinc/70/62/72/569706272.db2.gz RQYMPLWQZYSLDG-XMMPIXPASA-N 0 1 464.997 5.980 50 30 JKEAMN CCCCCCCCC(=O)N(C[C@@H](C)/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000095671103 569728476 /nfs/dbraw/zinc/72/84/76/569728476.db2.gz QLJOKWBNPKJPNB-AREMUKBSSA-N 0 1 469.673 8.249 50 30 JKEAMN CCCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000097953053 569747578 /nfs/dbraw/zinc/74/75/78/569747578.db2.gz WJDYQOAGXJLBOE-XMMPIXPASA-N 0 1 485.632 5.073 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CC)cc3)S2)cc1 ZINC000097959787 569747821 /nfs/dbraw/zinc/74/78/21/569747821.db2.gz UWRKUDWTQPVCGX-JNPOWPEBSA-N 0 1 451.636 5.762 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CCCC)cc3)S2)cc1 ZINC000097959792 569747914 /nfs/dbraw/zinc/74/79/14/569747914.db2.gz SDIQOFCPXGDYOX-HWGQWRLFSA-N 0 1 479.690 6.543 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000097969093 569748245 /nfs/dbraw/zinc/74/82/45/569748245.db2.gz OQQRKUMOXXEBIW-AREMUKBSSA-N 0 1 487.600 5.462 50 30 JKEAMN CCCCCCC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000098048793 569749991 /nfs/dbraw/zinc/74/99/91/569749991.db2.gz HGMJBYWICKBNLM-CONSDPRKSA-N 0 1 481.721 6.776 50 30 JKEAMN CC1(C)CC(=O)C(C(c2cc(Cl)cc(Cl)c2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004693 569751199 /nfs/dbraw/zinc/75/11/99/569751199.db2.gz HYPXKULHEOOXLG-SFHVURJKSA-N 0 1 453.362 5.558 50 30 JKEAMN CCCCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000100029538 569751477 /nfs/dbraw/zinc/75/14/77/569751477.db2.gz POLSVAXEEHDBMJ-UHFFFAOYSA-N 0 1 466.706 9.264 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100030629 569751531 /nfs/dbraw/zinc/75/15/31/569751531.db2.gz FIBZURAGUBBPQB-HBRQFSJYSA-N 0 1 496.181 6.999 50 30 JKEAMN COc1cc([C@H]2C(C(=O)OC3CCCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000100132228 569753406 /nfs/dbraw/zinc/75/34/06/569753406.db2.gz FSPHQHSUOAYZBL-QHCPKHFHSA-N 0 1 498.576 5.179 50 30 JKEAMN O=C(Nc1cccc(C(F)(F)F)c1)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F ZINC000100405152 569759259 /nfs/dbraw/zinc/75/92/59/569759259.db2.gz ZNZDDRQHMWUTJB-YNFMAFFXSA-N 0 1 471.279 5.262 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000100439644 569761276 /nfs/dbraw/zinc/76/12/76/569761276.db2.gz PFMZVAXTSVQSHC-NHFXJNLRSA-N 0 1 486.377 5.379 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)CC1CC1 ZINC000036316334 569762664 /nfs/dbraw/zinc/76/26/64/569762664.db2.gz PLYVXFFSCDNFRY-DEOSSOPVSA-N 0 1 461.606 5.003 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316386 569762777 /nfs/dbraw/zinc/76/27/77/569762777.db2.gz QCISBSFIYOSABL-QHCPKHFHSA-N 0 1 479.621 5.010 50 30 JKEAMN CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)c(O)c2)c1O ZINC000100502203 569762938 /nfs/dbraw/zinc/76/29/38/569762938.db2.gz ZPKQUFBNSRBTOV-WYMPLXKRSA-N 0 1 453.292 5.818 50 30 JKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036316472 569762981 /nfs/dbraw/zinc/76/29/81/569762981.db2.gz SEZOTZIIFBDAHH-JOCHJYFZSA-N 0 1 451.586 5.905 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316429 569763075 /nfs/dbraw/zinc/76/30/75/569763075.db2.gz JOGVVFOWUPDWMD-QHCPKHFHSA-N 0 1 463.622 5.775 50 30 JKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1 ZINC000036316432 569763091 /nfs/dbraw/zinc/76/30/91/569763091.db2.gz PNQDXERWEDBYMW-QHCPKHFHSA-N 0 1 479.621 5.011 50 30 JKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036316514 569763234 /nfs/dbraw/zinc/76/32/34/569763234.db2.gz UOQNFICFYKFLHY-QHCPKHFHSA-N 0 1 467.585 5.142 50 30 JKEAMN CCCCCCCC1C(C)=NN(c2nnc3c4ccccc4n(Cc4ccccc4)c3n2)C1=O ZINC000100668622 569766415 /nfs/dbraw/zinc/76/64/15/569766415.db2.gz ORYUIEDJCZDSLX-UHFFFAOYSA-N 0 1 454.578 5.740 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345952 569768703 /nfs/dbraw/zinc/76/87/03/569768703.db2.gz GOBPPHLVTKYLRH-RUZDIDTESA-N 0 1 461.606 5.057 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346548 569770083 /nfs/dbraw/zinc/77/00/83/569770083.db2.gz POOGTVIKGBELFH-VWLOTQADSA-N 0 1 475.633 5.311 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346802 569770871 /nfs/dbraw/zinc/77/08/71/569770871.db2.gz KIOBHJNAIRUJRL-HHHXNRCGSA-N 0 1 497.639 5.754 50 30 JKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346755 569770880 /nfs/dbraw/zinc/77/08/80/569770880.db2.gz ODXKCINEZZBMDG-HSZRJFAPSA-N 0 1 455.549 5.790 50 30 JKEAMN C=CCC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346799 569770919 /nfs/dbraw/zinc/77/09/19/569770919.db2.gz BMSMKQLMFGHXDZ-HHHXNRCGSA-N 0 1 481.640 6.517 50 30 JKEAMN CCCCCCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101025337 569779804 /nfs/dbraw/zinc/77/98/04/569779804.db2.gz RLCGFGLESMXZQU-NLDZOOGBSA-N 0 1 498.623 6.477 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000101072971 569781459 /nfs/dbraw/zinc/78/14/59/569781459.db2.gz DWNDGPYZIOCTJP-NHFXJNLRSA-N 0 1 479.286 5.118 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072835 569781464 /nfs/dbraw/zinc/78/14/64/569781464.db2.gz OVPDWXHSSJXWNM-WOOAAIBNSA-N 0 1 495.354 5.587 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000101100265 569782723 /nfs/dbraw/zinc/78/27/23/569782723.db2.gz BCYQXXAILIREBO-UYTDBDHRSA-N 0 1 475.389 5.210 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000101100196 569782746 /nfs/dbraw/zinc/78/27/46/569782746.db2.gz OSDSMGHRJUEMTM-SELCWUDQSA-N 0 1 473.710 5.025 50 30 JKEAMN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000101128175 569783851 /nfs/dbraw/zinc/78/38/51/569783851.db2.gz JOWLWJGOBCBCAR-VHAJSEAWSA-N 0 1 460.515 5.068 50 30 JKEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000101294166 569789948 /nfs/dbraw/zinc/78/99/48/569789948.db2.gz PLMYKNHIFPIPSS-YFVVEFNMSA-N 0 1 495.575 5.239 50 30 JKEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000101313628 569792143 /nfs/dbraw/zinc/79/21/43/569792143.db2.gz DMNHJTGVEJNYRR-ZLYDLHQSSA-N 0 1 481.548 5.197 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000101313616 569792238 /nfs/dbraw/zinc/79/22/38/569792238.db2.gz MDMPZMATCVIYMW-FGEDTZIGSA-N 0 1 495.575 5.239 50 30 JKEAMN CCCCCCC[C@@](O)(c1ccc(OCCCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101464738 569798580 /nfs/dbraw/zinc/79/85/80/569798580.db2.gz ODJUKBIHLUMBFK-LOYHVIPDSA-N 0 1 467.694 6.530 50 30 JKEAMN CCCCCCC[C@](O)(c1ccc(OCCCC)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000101464741 569798617 /nfs/dbraw/zinc/79/86/17/569798617.db2.gz ODJUKBIHLUMBFK-IHLOFXLRSA-N 0 1 467.694 6.530 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 ZINC000101502790 569801030 /nfs/dbraw/zinc/80/10/30/569801030.db2.gz KBAODNWCXLTRIT-MOBKVPTQSA-N 0 1 464.880 5.064 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102857088 569824485 /nfs/dbraw/zinc/82/44/85/569824485.db2.gz CNZYHNZFJCYFSU-MOBKVPTQSA-N 0 1 490.968 5.975 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2F)o1 ZINC000102864056 569825388 /nfs/dbraw/zinc/82/53/88/569825388.db2.gz STRWNWTVLUBCAL-PGVNHDJNSA-N 0 1 462.502 5.580 50 30 JKEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102863866 569825447 /nfs/dbraw/zinc/82/54/47/569825447.db2.gz ZEIDOMIVMXZGKS-JLPDLQRYSA-N 0 1 483.564 5.073 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102869327 569825730 /nfs/dbraw/zinc/82/57/30/569825730.db2.gz LCKLXEPMIBRCQY-UUALVTFQSA-N 0 1 499.563 5.259 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000102869330 569825757 /nfs/dbraw/zinc/82/57/57/569825757.db2.gz LCKLXEPMIBRCQY-ONQGDUAMSA-N 0 1 499.563 5.259 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1 ZINC000102866703 569825834 /nfs/dbraw/zinc/82/58/34/569825834.db2.gz AZUBASCVACTQHJ-JBCNATCCSA-N 0 1 460.511 5.223 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102873157 569825972 /nfs/dbraw/zinc/82/59/72/569825972.db2.gz VAASGYQMOOVWJW-LFVOPCPISA-N 0 1 472.925 5.187 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102876035 569826302 /nfs/dbraw/zinc/82/63/02/569826302.db2.gz BZEVNNFCKFMRSS-NSOCNUKWSA-N 0 1 499.563 5.039 50 30 JKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874874 569826416 /nfs/dbraw/zinc/82/64/16/569826416.db2.gz PNWFUJBNBQJTIS-JLPDLQRYSA-N 0 1 498.579 5.206 50 30 JKEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102874928 569826453 /nfs/dbraw/zinc/82/64/53/569826453.db2.gz JMGXRRNUJCMGTE-JBCNATCCSA-N 0 1 478.476 5.209 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102928919 569827334 /nfs/dbraw/zinc/82/73/34/569827334.db2.gz XOBWDRUXCCBFEW-MRJHHRETSA-N 0 1 478.932 6.024 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)o1 ZINC000102929106 569827621 /nfs/dbraw/zinc/82/76/21/569827621.db2.gz BJYAUVNKQBGQKY-OBVHCKHUSA-N 0 1 462.502 5.580 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)o1 ZINC000102929606 569827782 /nfs/dbraw/zinc/82/77/82/569827782.db2.gz GBMSNZKQEOGGNL-PGVNHDJNSA-N 0 1 478.957 6.094 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)o1 ZINC000102932095 569828594 /nfs/dbraw/zinc/82/85/94/569828594.db2.gz DILJTONDDXDICD-OBVHCKHUSA-N 0 1 489.509 5.349 50 30 JKEAMN CCCCCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)CC(C)C ZINC000102997798 569831088 /nfs/dbraw/zinc/83/10/88/569831088.db2.gz SFEYDTZGADXZDR-UHFFFAOYSA-N 0 1 495.756 6.058 50 30 JKEAMN Cc1cc(C)c(S(=O)(=O)N=C2CC(=Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1C ZINC000103321429 569834659 /nfs/dbraw/zinc/83/46/59/569834659.db2.gz QPINOEOLDJTXTQ-SLMZUGIISA-N 0 1 464.974 5.636 50 30 JKEAMN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1 ZINC000103754262 569837756 /nfs/dbraw/zinc/83/77/56/569837756.db2.gz HMEOZYPDMPFSTG-UVHMKAGCSA-N 0 1 483.793 7.664 50 30 JKEAMN C=CCOC(=O)c1sc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)c(C(=O)OCCCC)c1C ZINC000044827063 569839362 /nfs/dbraw/zinc/83/93/62/569839362.db2.gz YGQJNDUXJIOBAF-XDJHFCHBSA-N 0 1 481.574 5.075 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(F)cc3)cnn1[C@H]2c1ccccc1Cl ZINC000044858773 569839505 /nfs/dbraw/zinc/83/95/05/569839505.db2.gz DCVUIHLEFLYWBB-QFIPXVFZSA-N 0 1 464.928 5.586 50 30 JKEAMN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104134776 569841856 /nfs/dbraw/zinc/84/18/56/569841856.db2.gz DELCMMPIHZCZIX-HOGKFDNTSA-N 0 1 476.872 5.077 50 30 JKEAMN CCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O ZINC000051366920 569852320 /nfs/dbraw/zinc/85/23/20/569852320.db2.gz WZMLRHOGDCCBTN-VBFAIDSNSA-N 0 1 474.424 5.400 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366995 569852333 /nfs/dbraw/zinc/85/23/33/569852333.db2.gz VCUGLAXNEHRRGZ-KVZWLNNISA-N 0 1 474.424 5.482 50 30 JKEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000051366933 569852365 /nfs/dbraw/zinc/85/23/65/569852365.db2.gz XBHHYMRFRYYHFR-HMUJPTBDSA-N 0 1 461.587 5.491 50 30 JKEAMN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000118918860 569863498 /nfs/dbraw/zinc/86/34/98/569863498.db2.gz OAALXLVVEQAVAA-BBNCIXFRSA-N 0 1 478.504 7.282 50 30 biogenic JKEAMN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)sc2C1 ZINC000220951704 569883594 /nfs/dbraw/zinc/88/35/94/569883594.db2.gz HKCNOJAEYXPBMA-AWEZNQCLSA-N 0 1 486.066 5.940 50 30 JKEAMN C(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1c2ccccc2cc2ccccc21 ZINC000239038491 570048636 /nfs/dbraw/zinc/04/86/36/570048636.db2.gz DHQHXUJIQCFBIF-UHFFFAOYSA-N 0 1 453.589 6.715 50 30 JKEAMN O=c1oc2ccccc2cc1-c1cccc(N=Cc2cc(Br)cc(Br)c2O)c1 ZINC000252605171 570085448 /nfs/dbraw/zinc/08/54/48/570085448.db2.gz GGYXSSYVAJYBIL-UHFFFAOYSA-N 0 1 499.158 6.441 50 30 JKEAMN Cc1ccc(N=C2S/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252605168 570085458 /nfs/dbraw/zinc/08/54/58/570085458.db2.gz GGXJTSSVDDDWAX-BNQJDPEQSA-N 0 1 497.447 7.741 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000252617229 570086723 /nfs/dbraw/zinc/08/67/23/570086723.db2.gz KOXXMBNSIPVPHE-UHFFFAOYSA-N 0 1 492.133 6.287 50 30 JKEAMN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc(Cl)cc(Br)c1O ZINC000252627449 570088703 /nfs/dbraw/zinc/08/87/03/570088703.db2.gz RUHNSCLHAWKZHE-UHFFFAOYSA-N 0 1 476.157 7.329 50 30 JKEAMN COc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Br)c4O)ccc3o2)cc1 ZINC000252628559 570088905 /nfs/dbraw/zinc/08/89/05/570088905.db2.gz SSYLCGPKUCZKGF-UHFFFAOYSA-N 0 1 457.711 6.376 50 30 JKEAMN CCCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252629420 570089036 /nfs/dbraw/zinc/08/90/36/570089036.db2.gz UFMMKIVYRQIHPL-DSBLIHRRSA-N 0 1 451.375 6.112 50 30 JKEAMN CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc([N+](=O)[O-])c1O ZINC000252632191 570089512 /nfs/dbraw/zinc/08/95/12/570089512.db2.gz VQCOCIZLLNIVLA-JTKXPSIUSA-N 0 1 465.487 5.096 50 30 JKEAMN Cc1ccc2nc(-c3ccc(C)c(N=Cc4cc(Cl)cc(Br)c4O)c3)oc2c1 ZINC000252635917 570089905 /nfs/dbraw/zinc/08/99/05/570089905.db2.gz XBWPFEDNJXCPFI-UHFFFAOYSA-N 0 1 455.739 6.984 50 30 JKEAMN CCCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252641317 570090395 /nfs/dbraw/zinc/09/03/95/570090395.db2.gz ZBROPYUBGVUWTH-JERZPRFUSA-N 0 1 495.826 6.221 50 30 JKEAMN CCCCCn1c2ccccc2nc1N=Cc1cc(Br)cc(Br)c1O ZINC000252678303 570094238 /nfs/dbraw/zinc/09/42/38/570094238.db2.gz DLCVQPILPJXHIG-UHFFFAOYSA-N 0 1 465.189 6.208 50 30 JKEAMN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000254399266 570105666 /nfs/dbraw/zinc/10/56/66/570105666.db2.gz SKYIWOGZYIRINV-ITBSFYMTSA-N 0 1 483.737 6.578 50 30 JKEAMN N#Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2nc3ccc(Cl)cc3s2)cc1 ZINC000001032349 194006284 /nfs/dbraw/zinc/00/62/84/194006284.db2.gz VXMXZVUPJSMARY-UHFFFAOYSA-N 0 1 457.989 5.773 50 30 JKEAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000001096994 194023314 /nfs/dbraw/zinc/02/33/14/194023314.db2.gz OTUZRRJNURBEFR-LICLKQGHSA-N 0 1 478.574 5.455 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001182287 194063657 /nfs/dbraw/zinc/06/36/57/194063657.db2.gz XQBFHRZKMRMRTK-WTYVLRPYSA-N 0 1 467.525 5.905 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000003066650 194223726 /nfs/dbraw/zinc/22/37/26/194223726.db2.gz JJOBHQGJTBMWMJ-YCPBAFNGSA-N 0 1 452.124 7.565 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 ZINC000003066633 194223792 /nfs/dbraw/zinc/22/37/92/194223792.db2.gz SETHKQSRJKACEQ-YCPBAFNGSA-N 0 1 452.124 7.565 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1O ZINC000003066648 194223820 /nfs/dbraw/zinc/22/38/20/194223820.db2.gz CKIUZFYCGHSWJH-YSURURNPSA-N 0 1 458.257 6.175 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000003087847 194224557 /nfs/dbraw/zinc/22/45/57/194224557.db2.gz BJHBSQKYEBKILT-YCPBAFNGSA-N 0 1 452.124 7.565 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1O ZINC000003113166 194227171 /nfs/dbraw/zinc/22/71/71/194227171.db2.gz OPLAODLBZFMBHH-YSURURNPSA-N 0 1 458.257 6.175 50 30 JKEAMN CCCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000008444092 194449680 /nfs/dbraw/zinc/44/96/80/194449680.db2.gz RICWMZPGFQLAOW-UVDDSOTQSA-N 0 1 496.607 6.405 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012643070 195072422 /nfs/dbraw/zinc/07/24/22/195072422.db2.gz FHTAULQSKYGAJK-OAQYLSRUSA-N 0 1 472.755 6.425 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000012648794 195075023 /nfs/dbraw/zinc/07/50/23/195075023.db2.gz UHSZUPHJTPXZPU-KCWXNJEJSA-N 0 1 481.552 6.214 50 30 JKEAMN COc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000012652204 195076492 /nfs/dbraw/zinc/07/64/92/195076492.db2.gz VKEWOQQUDFPETM-AREMUKBSSA-N 0 1 458.945 6.169 50 30 JKEAMN COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2ccccc2OC)cc1 ZINC000012652192 195076516 /nfs/dbraw/zinc/07/65/16/195076516.db2.gz OHLFTUPCRKSWPZ-MHZLTWQESA-N 0 1 454.526 5.525 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1OC ZINC000012652439 195076749 /nfs/dbraw/zinc/07/67/49/195076749.db2.gz CPBMROYYKZBPEP-DNOBIOAJSA-N 0 1 471.557 5.782 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1OC ZINC000012652443 195076787 /nfs/dbraw/zinc/07/67/87/195076787.db2.gz CPBMROYYKZBPEP-MYUZEXMDSA-N 0 1 471.557 5.782 50 30 JKEAMN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652288 195076791 /nfs/dbraw/zinc/07/67/91/195076791.db2.gz TWVMTKPJRZUAKB-CLYVBNDRSA-N 0 1 484.939 6.740 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[nH]1)C1CCCCC1 ZINC000036207935 128299783 /nfs/dbraw/zinc/29/97/83/128299783.db2.gz SPBGIWYILZOSJD-FQEVSTJZSA-N 0 1 488.053 5.003 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000102368588 130122074 /nfs/dbraw/zinc/12/20/74/130122074.db2.gz WMEGGEAOWQYMEI-JBCNATCCSA-N 0 1 497.345 5.159 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(OC(C)C)cc2)no1 ZINC000102374857 130124623 /nfs/dbraw/zinc/12/46/23/130124623.db2.gz TYZBTPKHBMRQOO-ZHHPLPSFSA-N 0 1 458.470 5.143 50 30 JKEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000102455117 130133323 /nfs/dbraw/zinc/13/33/23/130133323.db2.gz RTSHMOLDVJUKNJ-JVWAILMASA-N 0 1 456.571 5.830 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102483802 130137581 /nfs/dbraw/zinc/13/75/81/130137581.db2.gz FTVYPRDBWYFRRC-JBCNATCCSA-N 0 1 489.484 5.278 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000102484650 130138535 /nfs/dbraw/zinc/13/85/35/130138535.db2.gz IVLKCAPFMKFNGH-NHFXJNLRSA-N 0 1 499.336 5.500 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102485927 130139738 /nfs/dbraw/zinc/13/97/38/130139738.db2.gz PNTSBNDVORFSDF-SBXHHDGASA-N 0 1 470.456 5.541 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102485937 130139803 /nfs/dbraw/zinc/13/98/03/130139803.db2.gz PNTSBNDVORFSDF-NXLSWJSLSA-N 0 1 470.456 5.541 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102490336 130144439 /nfs/dbraw/zinc/14/44/39/130144439.db2.gz ZGJAUSMKQOILCD-WOOAAIBNSA-N 0 1 466.515 5.132 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3OC)sc2c1 ZINC000102492712 130147136 /nfs/dbraw/zinc/14/71/36/130147136.db2.gz YRVUXHRTDCGWJM-HOGKFDNTSA-N 0 1 490.512 5.079 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102492722 130147167 /nfs/dbraw/zinc/14/71/67/130147167.db2.gz YRVUXHRTDCGWJM-MOBKVPTQSA-N 0 1 490.512 5.079 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102496596 130150718 /nfs/dbraw/zinc/15/07/18/130150718.db2.gz ZRDSIKOPQATZES-SELCWUDQSA-N 0 1 481.486 5.031 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000102501035 130155075 /nfs/dbraw/zinc/15/50/75/130155075.db2.gz UCJFSQNKNBOSHA-QOJBNDRUSA-N 0 1 464.930 5.786 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000102506214 130160413 /nfs/dbraw/zinc/16/04/13/130160413.db2.gz WQTSHXOGQZXWFX-LFVOPCPISA-N 0 1 468.893 5.617 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102513521 130167213 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COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009461036 523795208 /nfs/dbraw/zinc/79/52/08/523795208.db2.gz ADQWXBYILRCYFF-MUUNZHRXSA-N 0 1 499.607 5.922 50 30 JKEAMN CCc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009597298 523858568 /nfs/dbraw/zinc/85/85/68/523858568.db2.gz JRRRMVQRAPIOMJ-NRFANRHFSA-N 0 1 476.418 6.602 50 30 JKEAMN CCc1ccc(CC2S/C(=N/N=C/c3ccc(OCc4ccccc4)c(OC)c3)NC2=O)cc1 ZINC000011690586 523951316 /nfs/dbraw/zinc/95/13/16/523951316.db2.gz IIIKDZDCBPDQEO-ISAGNRBTSA-N 0 1 473.598 5.001 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000009508017 524060131 /nfs/dbraw/zinc/06/01/31/524060131.db2.gz PBXWSNHBHZXCBW-NRFANRHFSA-N 0 1 489.509 5.451 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000009506869 524060204 /nfs/dbraw/zinc/06/02/04/524060204.db2.gz PVVLCLQHRGPDSO-IBGZPJMESA-N 0 1 450.541 5.605 50 30 JKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4ccc(I)cc4)cc3O)nc2c1 ZINC000003099332 524085624 /nfs/dbraw/zinc/08/56/24/524085624.db2.gz GVFANEVSEKACQG-FSJBWODESA-N 0 1 454.267 5.864 50 30 JKEAMN Cc1ccc2sc(-c3ccc(/N=C/c4cc(Cl)cc(Br)c4O)cc3)nc2c1 ZINC000003113022 524098314 /nfs/dbraw/zinc/09/83/14/524098314.db2.gz HXIADXKSJAXUCY-BHGWPJFGSA-N 0 1 457.780 7.144 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000009065698 524172038 /nfs/dbraw/zinc/17/20/38/524172038.db2.gz NJLPCPVDWACODT-FQEVSTJZSA-N 0 1 494.500 5.137 50 30 JKEAMN COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000009019040 524172962 /nfs/dbraw/zinc/17/29/62/524172962.db2.gz GJZPHOVOTOVOIR-DJUQAAIZSA-N 0 1 478.592 6.314 50 30 JKEAMN Cc1cc(C)c(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=O)N2c2ccc(Cl)cc2)c(C)c1 ZINC000015729259 524213237 /nfs/dbraw/zinc/21/32/37/524213237.db2.gz GPBUQBFZPOYKLD-DJDJECJDSA-N 0 1 478.080 7.147 50 30 JKEAMN Cc1cc(C)c(/N=C2\[C@@H](N3CCCC3)C3(CCCCC3)C(=O)N2c2ccc(Cl)cc2)c(C)c1 ZINC000033435824 524214303 /nfs/dbraw/zinc/21/43/03/524214303.db2.gz FUKWKVFHHBOLBN-PLBDZPIRSA-N 0 1 464.053 6.757 50 30 JKEAMN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(c4nnc(C)s4)[C@H]3c3ccc(Cl)cc3)oc21 ZINC000016742291 524256911 /nfs/dbraw/zinc/25/69/11/524256911.db2.gz RHWZKJNLANKKNK-SFHVURJKSA-N 0 1 481.917 5.038 50 30 JKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009019931 524384991 /nfs/dbraw/zinc/38/49/91/524384991.db2.gz RDJMUURHXNDDQK-OAQYLSRUSA-N 0 1 464.861 5.040 50 30 JKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009086312 524385081 /nfs/dbraw/zinc/38/50/81/524385081.db2.gz DLCPVUZKFDNGNY-NRESZANFSA-N 0 1 490.353 5.640 50 30 JKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009019339 524386754 /nfs/dbraw/zinc/38/67/54/524386754.db2.gz RDJMUURHXNDDQK-NRFANRHFSA-N 0 1 464.861 5.040 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccncc3)cc2)c1 ZINC000009487851 524447641 /nfs/dbraw/zinc/44/76/41/524447641.db2.gz NWNHIPWDONDSAA-HHHXNRCGSA-N 0 1 491.547 5.143 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000009435234 524447690 /nfs/dbraw/zinc/44/76/90/524447690.db2.gz NOKWFMNAJSWPBV-HHHXNRCGSA-N 0 1 495.531 5.651 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccs3)cc2)c1 ZINC000009124357 524449032 /nfs/dbraw/zinc/44/90/32/524449032.db2.gz RDRYUAAUOUYZJN-AREMUKBSSA-N 0 1 496.588 5.809 50 30 JKEAMN Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)c1 ZINC000020850364 524464656 /nfs/dbraw/zinc/46/46/56/524464656.db2.gz BLCGICCONVPONG-QFIPXVFZSA-N 0 1 499.467 6.844 50 30 JKEAMN COc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2ccccc2OC)cc1 ZINC000009264198 524561560 /nfs/dbraw/zinc/56/15/60/524561560.db2.gz BMBMLXQCENXSPO-HHHXNRCGSA-N 0 1 469.541 5.916 50 30 JKEAMN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=S)Nc2ccccc2)n1 ZINC000014729897 524578247 /nfs/dbraw/zinc/57/82/47/524578247.db2.gz KHGPHNIRJLPNEQ-UHFFFAOYSA-N 0 1 478.025 5.225 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009446521 524976491 /nfs/dbraw/zinc/97/64/91/524976491.db2.gz ZMLKSZNEYDYFGK-JEOXALJRSA-N 0 1 487.364 5.556 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009354439 524977635 /nfs/dbraw/zinc/97/76/35/524977635.db2.gz VJEIRBZVWUFLEE-UPCLLVRISA-N 0 1 459.929 5.442 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009375219 524977688 /nfs/dbraw/zinc/97/76/88/524977688.db2.gz JXAAXQIFDARDGC-OWJWWREXSA-N 0 1 494.374 6.095 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000016741796 524978054 /nfs/dbraw/zinc/97/80/54/524978054.db2.gz BXVATWAQSQEYEQ-GKVSMKOHSA-N 0 1 471.553 5.679 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009354234 525048953 /nfs/dbraw/zinc/04/89/53/525048953.db2.gz KZFVHMJXAFMPHX-JOCHJYFZSA-N 0 1 458.495 5.620 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009353914 525049752 /nfs/dbraw/zinc/04/97/52/525049752.db2.gz HDQOKZDAKSJOOZ-DEOSSOPVSA-N 0 1 486.911 6.212 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009354235 525051037 /nfs/dbraw/zinc/05/10/37/525051037.db2.gz KZFVHMJXAFMPHX-QFIPXVFZSA-N 0 1 458.495 5.620 50 30 JKEAMN Cc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)c(Cl)c1 ZINC000021722346 525148946 /nfs/dbraw/zinc/14/89/46/525148946.db2.gz UBRILRKNLKYXEU-DEOSSOPVSA-N 0 1 463.990 6.922 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 ZINC000009353952 525173209 /nfs/dbraw/zinc/17/32/09/525173209.db2.gz LHVARCRZJFZBQG-VWLOTQADSA-N 0 1 485.561 6.007 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000009424868 525222305 /nfs/dbraw/zinc/22/23/05/525222305.db2.gz ZBEVMSPQBQWQEL-OAQYLSRUSA-N 0 1 498.413 5.405 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1OC ZINC000009374633 525225608 /nfs/dbraw/zinc/22/56/08/525225608.db2.gz QSGHQKXTRMHCFX-HXUWFJFHSA-N 0 1 496.541 5.297 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000015826276 525226251 /nfs/dbraw/zinc/22/62/51/525226251.db2.gz LHFMJWYWGQCIAW-RUZDIDTESA-N 0 1 458.583 6.214 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)NCc2ccco2)cc1 ZINC000021722141 525227118 /nfs/dbraw/zinc/22/71/18/525227118.db2.gz VYVSVKMXTXVIHW-AREMUKBSSA-N 0 1 471.557 5.814 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000021722445 525228733 /nfs/dbraw/zinc/22/87/33/525228733.db2.gz BWEGKMYSVGLNMK-ACSYHNTCSA-N 0 1 470.569 6.235 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccc(F)c2)cc1 ZINC000009272288 525231133 /nfs/dbraw/zinc/23/11/33/525231133.db2.gz QSENQZLEFIHMDS-KCWXNJEJSA-N 0 1 482.555 6.145 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000009058960 525231489 /nfs/dbraw/zinc/23/14/89/525231489.db2.gz CUIQSYULMXNJDN-URAOTHONSA-N 0 1 498.579 5.633 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1 ZINC000009273029 525369105 /nfs/dbraw/zinc/36/91/05/525369105.db2.gz MBLWBKDQDVGMOU-VWLOTQADSA-N 0 1 456.542 5.203 50 30 JKEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 ZINC000009270539 525376049 /nfs/dbraw/zinc/37/60/49/525376049.db2.gz NIXQQPYSJVDJGW-HHHXNRCGSA-N 0 1 491.547 5.143 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000009333910 525389763 /nfs/dbraw/zinc/38/97/63/525389763.db2.gz LJJMHLVGADSUOI-FQEVSTJZSA-N 0 1 484.961 5.213 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(=O)COc2ccccc2)cc1 ZINC000009429532 525394199 /nfs/dbraw/zinc/39/41/99/525394199.db2.gz RJAPEJAXVQGLQK-SLQAJWMNSA-N 0 1 468.553 5.527 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)NC[C@@H]2CCCO2)cc1 ZINC000021722147 525394594 /nfs/dbraw/zinc/39/45/94/525394594.db2.gz BNJUPLSZPTWGJV-FNZWTVRRSA-N 0 1 475.589 5.200 50 30 JKEAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000021722443 525394950 /nfs/dbraw/zinc/39/49/50/525394950.db2.gz BWEGKMYSVGLNMK-OLILMLBXSA-N 0 1 470.569 6.235 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccccc3Cl)C2)cc1 ZINC000009358907 525398238 /nfs/dbraw/zinc/39/82/38/525398238.db2.gz KJGAVTXLTACVSS-WHLCRQNOSA-N 0 1 472.972 6.269 50 30 JKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000009152917 525441366 /nfs/dbraw/zinc/44/13/66/525441366.db2.gz WHDWKVJBHJNVRR-OAQYLSRUSA-N 0 1 463.965 5.948 50 30 JKEAMN 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CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001411034 553966832 /nfs/dbraw/zinc/96/68/32/553966832.db2.gz YYRNXJGGCXRWMK-AREMUKBSSA-N 0 1 484.527 5.527 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2OC)cc1 ZINC000001411027 553966959 /nfs/dbraw/zinc/96/69/59/553966959.db2.gz VMAZFJPQCSFFQP-MHZLTWQESA-N 0 1 496.563 5.396 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(C)=O)[C@@H]3c3cccs3)C2)cc1 ZINC000001412688 553967148 /nfs/dbraw/zinc/96/71/48/553967148.db2.gz IVDNOKNMFQRSSG-XHCCPWGMSA-N 0 1 458.583 5.986 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(C)=O)[C@@H]3c3cccs3)C2)cc1 ZINC000001412687 553967152 /nfs/dbraw/zinc/96/71/52/553967152.db2.gz IVDNOKNMFQRSSG-UZTOHYMASA-N 0 1 458.583 5.986 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(F)c2)cc1 ZINC000001413498 553967792 /nfs/dbraw/zinc/96/77/92/553967792.db2.gz XPRYQVFUXZBLIQ-VWLOTQADSA-N 0 1 470.500 5.137 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(OC)c2)cc1 ZINC000001413493 553967825 /nfs/dbraw/zinc/96/78/25/553967825.db2.gz YUVOGZBZQXHSNH-AREMUKBSSA-N 0 1 482.536 5.006 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(O)c1 ZINC000001413484 553967844 /nfs/dbraw/zinc/96/78/44/553967844.db2.gz VAJYWPOLVMLRQQ-DEOSSOPVSA-N 0 1 472.928 5.348 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(F)cc2)cc1 ZINC000001413496 553967865 /nfs/dbraw/zinc/96/78/65/553967865.db2.gz LMWMXZCWFSYBNL-VWLOTQADSA-N 0 1 470.500 5.137 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(O)c1 ZINC000001413485 553967891 /nfs/dbraw/zinc/96/78/91/553967891.db2.gz VAJYWPOLVMLRQQ-XMMPIXPASA-N 0 1 472.928 5.348 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001413507 553968345 /nfs/dbraw/zinc/96/83/45/553968345.db2.gz GDZFYWMSAKINEC-MUUNZHRXSA-N 0 1 494.591 6.121 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1 ZINC000001413527 553968368 /nfs/dbraw/zinc/96/83/68/553968368.db2.gz QZDMCYYZAUYIQN-HSZRJFAPSA-N 0 1 458.539 5.059 50 30 JKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000001414689 553968390 /nfs/dbraw/zinc/96/83/90/553968390.db2.gz KMVABSXWMTXWAT-SANMLTNESA-N 0 1 466.537 5.306 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414733 553968552 /nfs/dbraw/zinc/96/85/52/553968552.db2.gz BUXGCAUQQVLVGN-VWLOTQADSA-N 0 1 454.501 5.436 50 30 JKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(O)c2)cc1 ZINC000001414725 553968589 /nfs/dbraw/zinc/96/85/89/553968589.db2.gz OLCUTOSVAOWGFY-VWLOTQADSA-N 0 1 452.510 5.003 50 30 JKEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001414712 553968626 /nfs/dbraw/zinc/96/86/26/553968626.db2.gz VYRXPCYFGROXPJ-HHHXNRCGSA-N 0 1 496.563 5.315 50 30 JKEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414734 553968704 /nfs/dbraw/zinc/96/87/04/553968704.db2.gz BUXGCAUQQVLVGN-RUZDIDTESA-N 0 1 454.501 5.436 50 30 JKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1 ZINC000001414741 553968709 /nfs/dbraw/zinc/96/87/09/553968709.db2.gz JRVFUFHPSREZGX-DEOSSOPVSA-N 0 1 458.464 5.267 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccs1 ZINC000001414782 553968956 /nfs/dbraw/zinc/96/89/56/553968956.db2.gz AVADQACAWOHHEZ-JOCHJYFZSA-N 0 1 462.958 5.704 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1 ZINC000001414771 553968988 /nfs/dbraw/zinc/96/89/88/553968988.db2.gz LVJUGPAKAAXMAS-DEOSSOPVSA-N 0 1 474.919 5.781 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414776 553969018 /nfs/dbraw/zinc/96/90/18/553969018.db2.gz FDIVCPUFVOLKIE-AREMUKBSSA-N 0 1 484.983 6.205 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1 ZINC000001414772 553969102 /nfs/dbraw/zinc/96/91/02/553969102.db2.gz LVJUGPAKAAXMAS-XMMPIXPASA-N 0 1 474.919 5.781 50 30 JKEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414748 553969129 /nfs/dbraw/zinc/96/91/29/553969129.db2.gz MDGQZCWRNNJXNC-HHHXNRCGSA-N 0 1 482.555 6.251 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000001446552 553973396 /nfs/dbraw/zinc/97/33/96/553973396.db2.gz YDXWOVCWXVIYAT-DEOSSOPVSA-N 0 1 456.542 5.166 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccs1)c1ccc(F)cc1 ZINC000001451682 553974128 /nfs/dbraw/zinc/97/41/28/553974128.db2.gz RIDIZZIQARIANH-SFHVURJKSA-N 0 1 454.479 5.419 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccs3)sc2c1 ZINC000001451501 553974161 /nfs/dbraw/zinc/97/41/61/553974161.db2.gz BXNBEQMNMQAGRQ-LJQANCHMSA-N 0 1 450.541 5.605 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccs3)sc2c1 ZINC000001451500 553974190 /nfs/dbraw/zinc/97/41/90/553974190.db2.gz BXNBEQMNMQAGRQ-IBGZPJMESA-N 0 1 450.541 5.605 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000001456963 553974745 /nfs/dbraw/zinc/97/47/45/553974745.db2.gz IHEAMWFNSHEPHK-NFQMXDRXSA-N 0 1 482.536 5.377 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000001458981 553975085 /nfs/dbraw/zinc/97/50/85/553975085.db2.gz OKYRPVOIYOZDOI-SMSORMJASA-N 0 1 490.559 6.503 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000001459850 553975118 /nfs/dbraw/zinc/97/51/18/553975118.db2.gz FQJRLAAISVFINN-DFXYEROKSA-N 0 1 483.587 6.202 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000001467609 553976562 /nfs/dbraw/zinc/97/65/62/553976562.db2.gz WPIUQVLTTCYONZ-AREMUKBSSA-N 0 1 470.569 5.691 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000001476891 553976867 /nfs/dbraw/zinc/97/68/67/553976867.db2.gz CEENUDISRMUTTP-QFIPXVFZSA-N 0 1 493.357 5.021 50 30 JKEAMN Cc1ccc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1C ZINC000001838701 553993899 /nfs/dbraw/zinc/99/38/99/553993899.db2.gz KPOHXTICLCVKOU-OGLMXYFKSA-N 0 1 454.599 6.783 50 30 JKEAMN Cc1ccc(OCCCn2cc(C=[NH+][N-]c3nc4ccccc4s3)c3ccccc32)cc1C ZINC000001838701 553993903 /nfs/dbraw/zinc/99/39/03/553993903.db2.gz KPOHXTICLCVKOU-OGLMXYFKSA-N 0 1 454.599 6.783 50 30 JKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000001854210 553996329 /nfs/dbraw/zinc/99/63/29/553996329.db2.gz IUIZMOSOHQSZKC-OPEKNORGSA-N 0 1 461.709 6.568 50 30 JKEAMN CC(C)(C)c1ccc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000001864717 553998533 /nfs/dbraw/zinc/99/85/33/553998533.db2.gz FXPWEQOHKNYHEW-NDZAJKAJSA-N 0 1 482.653 7.464 50 30 JKEAMN Cc1c(C=NNc2nc3ccccc3s2)c2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000001866364 553999145 /nfs/dbraw/zinc/99/91/45/553999145.db2.gz FZGMTEQOKPJGOY-AJBULDERSA-N 0 1 496.680 7.772 50 30 JKEAMN Cc1c(C=[NH+][N-]c2nc3ccccc3s2)c2ccccc2n1CCCOc1ccc(C(C)(C)C)cc1 ZINC000001866364 553999152 /nfs/dbraw/zinc/99/91/52/553999152.db2.gz FZGMTEQOKPJGOY-AJBULDERSA-N 0 1 496.680 7.772 50 30 JKEAMN CCOc1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)cc1 ZINC000001885039 554000752 /nfs/dbraw/zinc/00/07/52/554000752.db2.gz WXIAKKWFZWHWIN-BRJLIKDPSA-N 0 1 471.738 6.766 50 30 JKEAMN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3C)nc2c1 ZINC000001885058 554000805 /nfs/dbraw/zinc/00/08/05/554000805.db2.gz MAQVMBRAJIDNGV-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Cl)c4O)cc3)nc2c1 ZINC000001921469 554004933 /nfs/dbraw/zinc/00/49/33/554004933.db2.gz GSCUYTNAIOCYPG-UVHMKAGCSA-N 0 1 483.793 7.664 50 30 JKEAMN N#C/C(=N\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002151091 554069644 /nfs/dbraw/zinc/06/96/44/554069644.db2.gz YZHOCOGMXVAAAW-VULFUBBASA-N 0 1 455.767 5.100 50 30 JKEAMN C[C@@H](NC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000002196516 554089645 /nfs/dbraw/zinc/08/96/45/554089645.db2.gz XZPOCNBVUOKVHZ-GJZUVCINSA-N 0 1 489.623 5.573 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002258683 554120689 /nfs/dbraw/zinc/12/06/89/554120689.db2.gz XWWSASPJWGXJIL-BQYFSVDLSA-N 0 1 450.007 6.518 50 30 JKEAMN CCOC(=O)c1c(C)c(C)sc1/N=C/c1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000002260672 554121794 /nfs/dbraw/zinc/12/17/94/554121794.db2.gz WXEYNYFBXDRINB-YSURURNPSA-N 0 1 476.392 6.385 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000002261291 554122129 /nfs/dbraw/zinc/12/21/29/554122129.db2.gz NIHGNDBXBLCWFJ-UZHBQURLSA-N 0 1 462.388 5.613 50 30 JKEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)cc(Br)c1O ZINC000002320768 554147280 /nfs/dbraw/zinc/14/72/80/554147280.db2.gz VKWZNXJKCLWTCF-SSDVNMTOSA-N 0 1 461.385 5.264 50 30 JKEAMN COc1cc(C=Nn2c(=S)[nH]nc2-c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000002328127 554150111 /nfs/dbraw/zinc/15/01/11/554150111.db2.gz WUBQVEQMKAFFSK-OGLMXYFKSA-N 0 1 472.614 6.375 50 30 JKEAMN CCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002337599 554154811 /nfs/dbraw/zinc/15/48/11/554154811.db2.gz UTPGHJHEAGQVEP-LFUMJXIHSA-N 0 1 466.404 5.846 50 30 JKEAMN Brc1ccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000002594231 554239375 /nfs/dbraw/zinc/23/93/75/554239375.db2.gz ZRYMWARMZOHEOC-CVKSISIWSA-N 0 1 491.414 6.539 50 30 JKEAMN COc1ccc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000002594402 554239586 /nfs/dbraw/zinc/23/95/86/554239586.db2.gz FMYLCPRZHWRXGK-WPWMEQJKSA-N 0 1 456.571 6.175 50 30 JKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)(F)F)cc1COc1ccccc1Cc1ccccc1 ZINC000002791692 554347098 /nfs/dbraw/zinc/34/70/98/554347098.db2.gz XUMDGQFHRDEMLA-WKULSOCRSA-N 0 1 498.530 5.646 50 30 JKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000003147011 554427729 /nfs/dbraw/zinc/42/77/29/554427729.db2.gz NAQJXLPSNGAHHM-WEUIACGGSA-N 0 1 462.977 5.691 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000004126046 554475666 /nfs/dbraw/zinc/47/56/66/554475666.db2.gz CQDMDIVZDVMDOP-RUZDIDTESA-N 0 1 456.542 5.266 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000004126057 554475729 /nfs/dbraw/zinc/47/57/29/554475729.db2.gz TYETVIFCTVPFNN-DEOSSOPVSA-N 0 1 474.944 5.387 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000004126056 554475752 /nfs/dbraw/zinc/47/57/52/554475752.db2.gz TYETVIFCTVPFNN-XMMPIXPASA-N 0 1 474.944 5.387 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000006212223 554520066 /nfs/dbraw/zinc/52/00/66/554520066.db2.gz VPOARTHDQRKUOB-FQEVSTJZSA-N 0 1 481.892 5.317 50 30 JKEAMN CC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(C)cc1 ZINC000006245686 554522286 /nfs/dbraw/zinc/52/22/86/554522286.db2.gz FKXFBPSKUVNQNN-VXNXHJTFSA-N 0 1 456.380 5.156 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000006355375 554532477 /nfs/dbraw/zinc/53/24/77/554532477.db2.gz SUKZZWPEGBHTIE-VWLOTQADSA-N 0 1 491.540 5.254 50 30 JKEAMN Cc1nc(SCC(=O)c2ccccc2)c(C#N)c(C)c1C=C(O)c1ccc(Br)cc1 ZINC000008396838 554571748 /nfs/dbraw/zinc/57/17/48/554571748.db2.gz SZKUDZXKGBQANQ-UHFFFAOYSA-N 0 1 479.399 5.733 50 30 JKEAMN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1CSc1nc2ccccc2[nH]1 ZINC000008399115 554574248 /nfs/dbraw/zinc/57/42/48/554574248.db2.gz GUCDOSJNXVIKPO-GXDHUFHOSA-N 0 1 466.562 6.619 50 30 JKEAMN C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccccc4)cc3)[nH]2)cc1)c1ccccc1 ZINC000008408049 554577301 /nfs/dbraw/zinc/57/73/01/554577301.db2.gz SEEGCDJFUKJDHE-UHFFFAOYSA-N 0 1 488.590 8.603 50 30 JKEAMN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008432130 554585308 /nfs/dbraw/zinc/58/53/08/554585308.db2.gz HGTZGUAMVXEBHW-DEOSSOPVSA-N 0 1 486.534 6.571 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1O[C@H](C)CC ZINC000008444396 554593980 /nfs/dbraw/zinc/59/39/80/554593980.db2.gz MDYYBDCIRXDYDJ-DFXYEROKSA-N 0 1 488.672 7.587 50 30 JKEAMN C=C1N=C(SCc2ccc(C#N)cc2)N[C@@H](c2c(OC)ccc3ccccc32)C1C(=O)OCC ZINC000008451629 554597615 /nfs/dbraw/zinc/59/76/15/554597615.db2.gz PGWOEBFMFKSYCL-RUZDIDTESA-N 0 1 471.582 5.491 50 30 JKEAMN C=C1N=C(SCc2ccc(C#N)cc2)N[C@H](c2c(OC)ccc3ccccc32)C1C(=O)OCC ZINC000008451627 554597655 /nfs/dbraw/zinc/59/76/55/554597655.db2.gz PGWOEBFMFKSYCL-VWLOTQADSA-N 0 1 471.582 5.491 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008740025 554641854 /nfs/dbraw/zinc/64/18/54/554641854.db2.gz NNJHEUKKTSZQQV-HXUWFJFHSA-N 0 1 494.569 5.436 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008743522 554646173 /nfs/dbraw/zinc/64/61/73/554646173.db2.gz WWMFGKMTHKXICA-OAQYLSRUSA-N 0 1 487.339 5.860 50 30 JKEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(F)cc2)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000008758771 554660696 /nfs/dbraw/zinc/66/06/96/554660696.db2.gz FHGIWQWSQGNKPM-UHFFFAOYSA-N 0 1 479.947 5.200 50 30 JKEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccccc2C)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000008758787 554660728 /nfs/dbraw/zinc/66/07/28/554660728.db2.gz CCWSIDPHACVWIG-UHFFFAOYSA-N 0 1 475.984 5.369 50 30 JKEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000008779367 554676557 /nfs/dbraw/zinc/67/65/57/554676557.db2.gz ZRFYZTNXNBEMHM-LJQANCHMSA-N 0 1 494.956 5.231 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008816854 554699010 /nfs/dbraw/zinc/69/90/10/554699010.db2.gz NMXIUSGRLXTBPG-LJQANCHMSA-N 0 1 466.902 5.334 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2cccc(F)c2)cc1 ZINC000008817998 554701134 /nfs/dbraw/zinc/70/11/34/554701134.db2.gz DLCOXICTLSAXGL-JOCHJYFZSA-N 0 1 490.512 5.236 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000008818135 554701626 /nfs/dbraw/zinc/70/16/26/554701626.db2.gz ZZKLHMZVEHRKQJ-FQEVSTJZSA-N 0 1 499.748 5.289 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000008818136 554701739 /nfs/dbraw/zinc/70/17/39/554701739.db2.gz ZZKLHMZVEHRKQJ-HXUWFJFHSA-N 0 1 499.748 5.289 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000008818344 554702223 /nfs/dbraw/zinc/70/22/23/554702223.db2.gz LFNSOXOCLMWLJJ-DFXYEROKSA-N 0 1 483.612 6.436 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000008818346 554702239 /nfs/dbraw/zinc/70/22/39/554702239.db2.gz LFNSOXOCLMWLJJ-IIMAJNMQSA-N 0 1 483.612 6.436 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000008827768 554717757 /nfs/dbraw/zinc/71/77/57/554717757.db2.gz XLMXTRXHLIKQFN-FQEVSTJZSA-N 0 1 479.286 5.275 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(F)c3)sc2c1 ZINC000008836650 554736860 /nfs/dbraw/zinc/73/68/60/554736860.db2.gz WGTGZPRVVULFHD-NRFANRHFSA-N 0 1 462.477 5.666 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3OC)sc2c1 ZINC000008837117 554737577 /nfs/dbraw/zinc/73/75/77/554737577.db2.gz VWBFDRGCUFCDKF-JOCHJYFZSA-N 0 1 490.537 5.388 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3F)sc2c1 ZINC000008837541 554738643 /nfs/dbraw/zinc/73/86/43/554738643.db2.gz GWMVAMCRSXXMCP-NRFANRHFSA-N 0 1 478.501 5.518 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)cc1C ZINC000008838038 554739385 /nfs/dbraw/zinc/73/93/85/554739385.db2.gz GOBIJYHLFXPBLN-SANMLTNESA-N 0 1 470.569 5.656 50 30 JKEAMN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)s2)cc1 ZINC000008845945 554744258 /nfs/dbraw/zinc/74/42/58/554744258.db2.gz HDNJAAGBPPGEPJ-RDRPBHBLSA-N 0 1 487.604 6.494 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000008846346 554744678 /nfs/dbraw/zinc/74/46/78/554744678.db2.gz HJVDHUXLZCNWGS-QNLPTKCRSA-N 0 1 496.626 7.615 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000008846349 554744932 /nfs/dbraw/zinc/74/49/32/554744932.db2.gz HJVDHUXLZCNWGS-NRUKRWIHSA-N 0 1 496.626 7.615 50 30 JKEAMN Cc1ccc(Nc2nc(=NN=Cc3ccccc3[N+](=O)[O-])nc(Nc3ccc([N+](=O)[O-])cc3)[nH]2)cc1C ZINC000008872888 554769704 /nfs/dbraw/zinc/76/97/04/554769704.db2.gz UPQOVZSODBJZQX-AFUMVMLFSA-N 0 1 499.491 5.238 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008894212 554783136 /nfs/dbraw/zinc/78/31/36/554783136.db2.gz LYRYFNUTNUCXJT-FQEVSTJZSA-N 0 1 475.482 5.143 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008896812 554786751 /nfs/dbraw/zinc/78/67/51/554786751.db2.gz DDBCUTOZRBOAQU-JOCHJYFZSA-N 0 1 476.504 5.920 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1 ZINC000008902138 554796120 /nfs/dbraw/zinc/79/61/20/554796120.db2.gz ASSNALSYKYFARI-IBGZPJMESA-N 0 1 453.951 5.406 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008905392 554799694 /nfs/dbraw/zinc/79/96/94/554799694.db2.gz JZPUWXDONXIGGZ-IBGZPJMESA-N 0 1 452.919 5.144 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008905499 554799974 /nfs/dbraw/zinc/79/99/74/554799974.db2.gz ILRLFVPBUFNHGU-HSZRJFAPSA-N 0 1 470.997 5.002 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008914987 554808178 /nfs/dbraw/zinc/80/81/78/554808178.db2.gz RXXRDYYLOCSTBN-HXUWFJFHSA-N 0 1 473.312 5.390 50 30 JKEAMN COc1ccc([C@H]2C3=C(CCCC3=O)Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc1OC ZINC000008916609 554810961 /nfs/dbraw/zinc/81/09/61/554810961.db2.gz LQLYQZOLCGRQDM-LJAQVGFWSA-N 0 1 496.563 5.462 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000008919861 554816643 /nfs/dbraw/zinc/81/66/43/554816643.db2.gz BWGOQNGZBLOTTI-LJQANCHMSA-N 0 1 468.893 5.773 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008920983 554817664 /nfs/dbraw/zinc/81/76/64/554817664.db2.gz UZWQKYXSNUKBOH-IBGZPJMESA-N 0 1 497.370 5.253 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008922696 554819525 /nfs/dbraw/zinc/81/95/25/554819525.db2.gz VMUUXUPOOLFMDP-HXUWFJFHSA-N 0 1 479.286 5.140 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008934747 554829289 /nfs/dbraw/zinc/82/92/89/554829289.db2.gz NQSGJSJIXDOHEY-FQEVSTJZSA-N 0 1 491.550 5.611 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008934746 554829438 /nfs/dbraw/zinc/82/94/38/554829438.db2.gz NQSGJSJIXDOHEY-HXUWFJFHSA-N 0 1 491.550 5.611 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2cccnc2)cc1 ZINC000008964788 554838739 /nfs/dbraw/zinc/83/87/39/554838739.db2.gz UMIGXZBJCSTTLB-CHJDUVSTSA-N 0 1 481.596 6.037 50 30 biogenic JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008973482 554844500 /nfs/dbraw/zinc/84/45/00/554844500.db2.gz QPLLKTLGDSFRFS-NRFANRHFSA-N 0 1 476.510 5.080 50 30 JKEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008973801 554845286 /nfs/dbraw/zinc/84/52/86/554845286.db2.gz AGYJSHCWZJGFCC-NRFANRHFSA-N 0 1 478.501 5.600 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000008980623 554846743 /nfs/dbraw/zinc/84/67/43/554846743.db2.gz GVIKTKUOYDSPKE-MRXNPFEDSA-N 0 1 475.751 5.342 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008980886 554846790 /nfs/dbraw/zinc/84/67/90/554846790.db2.gz CDUQRYYYQUBOGP-HXUWFJFHSA-N 0 1 480.929 5.724 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008987902 554850442 /nfs/dbraw/zinc/85/04/42/554850442.db2.gz XBOLZBYSHNEOON-QFIPXVFZSA-N 0 1 490.537 5.388 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008988318 554850880 /nfs/dbraw/zinc/85/08/80/554850880.db2.gz FTNDVMYVJMBGAE-HXUWFJFHSA-N 0 1 464.930 5.942 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008996257 554856669 /nfs/dbraw/zinc/85/66/69/554856669.db2.gz RJWIBIQGQMZJEL-NRFANRHFSA-N 0 1 460.511 5.243 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000008996385 554856879 /nfs/dbraw/zinc/85/68/79/554856879.db2.gz CWBFHMIWJLTONJ-LJQANCHMSA-N 0 1 469.950 5.070 50 30 JKEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996504 554857221 /nfs/dbraw/zinc/85/72/21/554857221.db2.gz TZSFXIGNBYVABG-HSZRJFAPSA-N 0 1 486.549 5.799 50 30 JKEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996505 554857345 /nfs/dbraw/zinc/85/73/45/554857345.db2.gz TZSFXIGNBYVABG-QHCPKHFHSA-N 0 1 486.549 5.799 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009007889 554861584 /nfs/dbraw/zinc/86/15/84/554861584.db2.gz WVPBYRQQPIEMQT-NRFANRHFSA-N 0 1 489.484 5.435 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000009007992 554861824 /nfs/dbraw/zinc/86/18/24/554861824.db2.gz CQLVMPOGNKWGAJ-JOCHJYFZSA-N 0 1 490.537 5.388 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2ccc(Cl)cc2)C1 ZINC000009008071 554862261 /nfs/dbraw/zinc/86/22/61/554862261.db2.gz DAUPIKPDQLHIGW-SANMLTNESA-N 0 1 488.056 7.353 50 30 biogenic,in-vitro JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000009008054 554862267 /nfs/dbraw/zinc/86/22/67/554862267.db2.gz XXTRXJXHYOWVIG-HXUWFJFHSA-N 0 1 482.895 6.011 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000009008185 554862493 /nfs/dbraw/zinc/86/24/93/554862493.db2.gz BZUFZNADJZYULW-LJQANCHMSA-N 0 1 495.354 5.743 50 30 JKEAMN Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)c(C)c1 ZINC000009264458 555039615 /nfs/dbraw/zinc/03/96/15/555039615.db2.gz MPDLLOKRKGLORI-ZVHZXABRSA-N 0 1 490.588 5.009 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009324671 555097255 /nfs/dbraw/zinc/09/72/55/555097255.db2.gz YRPJLPAOBXMXFF-BUXKBTBVSA-N 0 1 497.370 5.012 50 30 JKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OCCOc1ccccc1Cl ZINC000009424907 555189671 /nfs/dbraw/zinc/18/96/71/555189671.db2.gz DZVTYJFHCURGPK-CVKSISIWSA-N 0 1 483.977 5.871 50 30 JKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OCCOc1ccccc1Cl ZINC000009424907 555189673 /nfs/dbraw/zinc/18/96/73/555189673.db2.gz DZVTYJFHCURGPK-CVKSISIWSA-N 0 1 483.977 5.871 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009463973 555234911 /nfs/dbraw/zinc/23/49/11/555234911.db2.gz FRLZJBRLEXCIQV-NSYGIPOTSA-N 0 1 473.956 5.484 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009512475 555302389 /nfs/dbraw/zinc/30/23/89/555302389.db2.gz WEAYMMFRDWTZJH-JOCHJYFZSA-N 0 1 484.335 5.930 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000009602056 555428240 /nfs/dbraw/zinc/42/82/40/555428240.db2.gz KADVACVHEHREAK-XDBZFTIUSA-N 0 1 491.418 7.304 50 30 JKEAMN Cc1ccc(OCCOc2cccc(C(F)(F)F)c2)c(C=NNc2nc3ccccc3s2)c1 ZINC000013514434 555485383 /nfs/dbraw/zinc/48/53/83/555485383.db2.gz OSSGIOGLRZXUHZ-RWPZCVJISA-N 0 1 471.504 6.527 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000013549195 555490761 /nfs/dbraw/zinc/49/07/61/555490761.db2.gz JQHQBKJHOWVEPU-JOCHJYFZSA-N 0 1 457.954 5.052 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000013549733 555491121 /nfs/dbraw/zinc/49/11/21/555491121.db2.gz ANLQUFYVKPSBIZ-MRXNPFEDSA-N 0 1 488.974 5.126 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccnc3)cc2)c1 ZINC000013551926 555492304 /nfs/dbraw/zinc/49/23/04/555492304.db2.gz FAEYISFCCVEAKW-AREMUKBSSA-N 0 1 480.520 5.341 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000013570734 555509175 /nfs/dbraw/zinc/50/91/75/555509175.db2.gz AQLQFFAJMVEFDS-MHZLTWQESA-N 0 1 495.531 5.651 50 30 JKEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2 ZINC000013655639 555554987 /nfs/dbraw/zinc/55/49/87/555554987.db2.gz YOXMYJOPWISPTR-KSEXSDGBSA-N 0 1 463.917 5.160 50 30 JKEAMN CCCc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2c3ccccc3nc2c1C#N ZINC000020057549 555620317 /nfs/dbraw/zinc/62/03/17/555620317.db2.gz JYENNBZLEHDNER-UHFFFAOYSA-N 0 1 489.623 5.666 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020057965 555621555 /nfs/dbraw/zinc/62/15/55/555621555.db2.gz YKIHJURQRMLENS-MUUNZHRXSA-N 0 1 498.623 5.276 50 30 JKEAMN O=C(Oc1ccc(C=NN=c2[nH]c3ccccc3s2)cc1)c1cccc(Br)c1 ZINC000013880282 555638785 /nfs/dbraw/zinc/63/87/85/555638785.db2.gz RSGJRNWCOAMGQZ-YDZHTSKRSA-N 0 1 452.333 5.724 50 30 JKEAMN O=C(Oc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1)c1cccc(Br)c1 ZINC000013880282 555638788 /nfs/dbraw/zinc/63/87/88/555638788.db2.gz RSGJRNWCOAMGQZ-YDZHTSKRSA-N 0 1 452.333 5.724 50 30 JKEAMN COc1ccc(OCCOc2ccc(Cl)cc2)c(C=NNc2nc3ccccc3s2)c1 ZINC000013893498 555641481 /nfs/dbraw/zinc/64/14/81/555641481.db2.gz QDAAALBHSMYWOH-MFKUBSTISA-N 0 1 453.951 5.862 50 30 JKEAMN CCc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Cl)c4O)c3)nc2c1 ZINC000013898718 555645177 /nfs/dbraw/zinc/64/51/77/555645177.db2.gz AOXSFSQFJLNDQG-BRJLIKDPSA-N 0 1 455.739 6.929 50 30 JKEAMN N#Cc1c(Cl)nc(N=NCc2cc(Br)cc(Br)c2O)c(Cl)c1Cl ZINC000013939848 555649613 /nfs/dbraw/zinc/64/96/13/555649613.db2.gz GZKJDRSHLWHXFB-LRNAUUFOSA-N 0 1 499.377 5.590 50 30 JKEAMN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C=O)[C@H]3c2cccs2)cc1 ZINC000013940198 555650199 /nfs/dbraw/zinc/65/01/99/555650199.db2.gz LEYMVTVEFUANLG-WINIVTDRSA-N 0 1 456.611 6.576 50 30 JKEAMN CCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O ZINC000013944091 555655564 /nfs/dbraw/zinc/65/55/64/555655564.db2.gz KSLRPAAVPFEONW-KVDJPTQJSA-N 0 1 460.397 5.010 50 30 JKEAMN CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(C)cc2)CC1 ZINC000020132501 555656977 /nfs/dbraw/zinc/65/69/77/555656977.db2.gz WWIVBBKPVXFXNB-UHFFFAOYSA-N 0 1 451.618 5.641 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020233761 555724889 /nfs/dbraw/zinc/72/48/89/555724889.db2.gz LANNXCLQKGOTBC-MHZLTWQESA-N 0 1 484.596 5.022 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020233761 555724893 /nfs/dbraw/zinc/72/48/93/555724893.db2.gz LANNXCLQKGOTBC-MHZLTWQESA-N 0 1 484.596 5.022 50 30 JKEAMN O=C1/C(=N\c2ccccc2)c2ccccc2N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022945533 555993399 /nfs/dbraw/zinc/99/33/99/555993399.db2.gz YLOVWYFCMPRORV-MEIHLTSWSA-N 0 1 486.619 5.519 50 30 JKEAMN CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859818 556031401 /nfs/dbraw/zinc/03/14/01/556031401.db2.gz VXPHAPXKUVORRX-CQSZACIVSA-N 0 1 452.967 5.364 50 30 JKEAMN Cc1ccc(/C=C/C2=Cc3c(C#N)c(NC(=O)CN(C)C4CCCCC4)sc3C(C)(C)C2)o1 ZINC000015912862 556065836 /nfs/dbraw/zinc/06/58/36/556065836.db2.gz URSRZZFAVLZYBP-ACCUITESSA-N 0 1 463.647 6.502 50 30 JKEAMN Oc1ccc(Br)cc1C=NNc1cc(N2CCCCCC2)nc(N2CCCCCC2)n1 ZINC000023634203 556080672 /nfs/dbraw/zinc/08/06/72/556080672.db2.gz WTVXIUKQVRHKID-KOEQRZSOSA-N 0 1 487.446 5.152 50 30 JKEAMN N#Cc1ccc(CSc2ccccc2C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000012762858 556109602 /nfs/dbraw/zinc/10/96/02/556109602.db2.gz QOYKIYSCZIPCIE-UHFFFAOYSA-N 0 1 476.045 5.898 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024080888 556119386 /nfs/dbraw/zinc/11/93/86/556119386.db2.gz IGZRPKRBJMLXPA-RUZDIDTESA-N 0 1 464.606 5.047 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024080947 556119429 /nfs/dbraw/zinc/11/94/29/556119429.db2.gz JMASQPKMGVNULT-VWLOTQADSA-N 0 1 464.606 5.047 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024080947 556119431 /nfs/dbraw/zinc/11/94/31/556119431.db2.gz JMASQPKMGVNULT-VWLOTQADSA-N 0 1 464.606 5.047 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000024080891 556119562 /nfs/dbraw/zinc/11/95/62/556119562.db2.gz IGZRPKRBJMLXPA-VWLOTQADSA-N 0 1 464.606 5.047 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000024117417 556122330 /nfs/dbraw/zinc/12/23/30/556122330.db2.gz WDGHFOPWUJTDQV-FQEVSTJZSA-N 0 1 497.806 5.185 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000024117417 556122333 /nfs/dbraw/zinc/12/23/33/556122333.db2.gz WDGHFOPWUJTDQV-FQEVSTJZSA-N 0 1 497.806 5.185 50 30 JKEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000024147901 556124516 /nfs/dbraw/zinc/12/45/16/556124516.db2.gz WDEWQBNCZYAILQ-HHHXNRCGSA-N 0 1 496.563 5.152 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000016713776 556154628 /nfs/dbraw/zinc/15/46/28/556154628.db2.gz UDLWDHGKQHDKAI-AREMUKBSSA-N 0 1 492.660 5.467 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000016713776 556154632 /nfs/dbraw/zinc/15/46/32/556154632.db2.gz UDLWDHGKQHDKAI-AREMUKBSSA-N 0 1 492.660 5.467 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000016734367 556155555 /nfs/dbraw/zinc/15/55/55/556155555.db2.gz ZBDCROJZVIUPAE-DEOSSOPVSA-N 0 1 459.498 5.022 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734395 556155685 /nfs/dbraw/zinc/15/56/85/556155685.db2.gz DWXVBOLZSUELSQ-VWLOTQADSA-N 0 1 489.524 5.030 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734398 556155700 /nfs/dbraw/zinc/15/57/00/556155700.db2.gz DWXVBOLZSUELSQ-RUZDIDTESA-N 0 1 489.524 5.030 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016734479 556155871 /nfs/dbraw/zinc/15/58/71/556155871.db2.gz MDOIYZSDGQFVEP-MHZLTWQESA-N 0 1 499.563 5.659 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000016805708 556161680 /nfs/dbraw/zinc/16/16/80/556161680.db2.gz BKZXRQYHBBBJMH-VWLOTQADSA-N 0 1 491.971 5.534 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016805773 556162017 /nfs/dbraw/zinc/16/20/17/556162017.db2.gz LYMICHHYFRHBKV-AREMUKBSSA-N 0 1 485.536 5.268 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000016993821 556197966 /nfs/dbraw/zinc/19/79/66/556197966.db2.gz PINYVWJGRBTTFK-NRFANRHFSA-N 0 1 482.414 5.705 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000017027758 556207301 /nfs/dbraw/zinc/20/73/01/556207301.db2.gz WYEZSJGZOFQIJS-SSEXGKCCSA-N 0 1 494.635 7.065 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000017137927 556224178 /nfs/dbraw/zinc/22/41/78/556224178.db2.gz INYCUNUXTXTFGU-LJQANCHMSA-N 0 1 499.386 5.476 50 30 JKEAMN CN(C)c1ccc([C@H]2NC[C@H](CSc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)O2)cc1 ZINC000025583822 556226427 /nfs/dbraw/zinc/22/64/27/556226427.db2.gz CFOQMSXQRLVCHV-XXBNENTESA-N 0 1 484.547 5.484 50 30 JKEAMN CC(C)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N\c1ccc(N(C)C)cc1 ZINC000017155042 556227974 /nfs/dbraw/zinc/22/79/74/556227974.db2.gz UEUVGOVWCSBCTJ-XZMUBEAGSA-N 0 1 464.418 6.025 50 30 JKEAMN N#CC(c1nc2ccccc2nc1NC1CCCCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000013040818 556244848 /nfs/dbraw/zinc/24/48/48/556244848.db2.gz VWUSMLHFZBCSEI-JOCHJYFZSA-N 0 1 452.555 5.332 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000026458883 556254110 /nfs/dbraw/zinc/25/41/10/556254110.db2.gz KEIXZPRNPLUGSA-QHCPKHFHSA-N 0 1 463.505 5.503 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000027023704 556271634 /nfs/dbraw/zinc/27/16/34/556271634.db2.gz VRAWRPQQRSANTI-LJQANCHMSA-N 0 1 459.716 5.825 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000018122795 556291177 /nfs/dbraw/zinc/29/11/77/556291177.db2.gz VUXHMNONJIHLCR-JMQGSBJISA-N 0 1 472.541 5.607 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccc(F)cc2)cc1 ZINC000018143561 556293697 /nfs/dbraw/zinc/29/36/97/556293697.db2.gz KRFZFSDNGSZDHG-LGGPFLRQSA-N 0 1 482.555 6.145 50 30 JKEAMN O=C(Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1)c1sc2ccccc2c1Cl ZINC000027794751 556307850 /nfs/dbraw/zinc/30/78/50/556307850.db2.gz PRIBWWYXTNBXKG-UHFFFAOYSA-N 0 1 484.411 5.670 50 30 JKEAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000018250026 556316341 /nfs/dbraw/zinc/31/63/41/556316341.db2.gz YPEHFRBIXCMZQI-HHHXNRCGSA-N 0 1 452.554 6.152 50 30 JKEAMN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000018283388 556318662 /nfs/dbraw/zinc/31/86/62/556318662.db2.gz WVUWJNXSRREKBS-XHCCPWGMSA-N 0 1 482.630 7.024 50 30 JKEAMN Cc1cc(N2CCN([C@H](c3ccccc3)c3ccccc3Cl)CC2)n2c3ccccc3nc2c1C#N ZINC000019288046 556337667 /nfs/dbraw/zinc/33/76/67/556337667.db2.gz XSTIKRDCXAETJK-GDLZYMKVSA-N 0 1 492.026 6.233 50 30 JKEAMN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc([N+](=O)[O-])c1O ZINC000019794798 556373894 /nfs/dbraw/zinc/37/38/94/556373894.db2.gz DMMXWKBYJTVHEB-QUGAMOGWSA-N 0 1 471.513 5.679 50 30 JKEAMN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc([N+](=O)[O-])c1O ZINC000019794797 556373967 /nfs/dbraw/zinc/37/39/67/556373967.db2.gz DMMXWKBYJTVHEB-MRDQGFSESA-N 0 1 471.513 5.679 50 30 JKEAMN CCOc1ccc(CC2S/C(=N/N=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)NC2=O)cc1 ZINC000019800253 556377336 /nfs/dbraw/zinc/37/73/36/556377336.db2.gz DRQPSVORTBONLQ-PXGAOIJESA-N 0 1 487.503 5.528 50 30 JKEAMN Fc1ccc(Br)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019807820 556379357 /nfs/dbraw/zinc/37/93/57/556379357.db2.gz DITPDGOIJKKCJS-JVWAILMASA-N 0 1 450.355 5.310 50 30 JKEAMN CCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O ZINC000031892864 556409280 /nfs/dbraw/zinc/40/92/80/556409280.db2.gz WZMLRHOGDCCBTN-BVCNIUJDSA-N 0 1 474.424 5.400 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCOC)cc1OCC ZINC000008384131 569589240 /nfs/dbraw/zinc/58/92/40/569589240.db2.gz QMURDXFSQWHXLY-XMMPIXPASA-N 0 1 485.552 5.018 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000008384272 569589356 /nfs/dbraw/zinc/58/93/56/569589356.db2.gz LGOHRKLULCIDJQ-XMMPIXPASA-N 0 1 459.498 5.022 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000008384281 569589383 /nfs/dbraw/zinc/58/93/83/569589383.db2.gz NEDNRMWRERWDJE-AREMUKBSSA-N 0 1 469.537 5.429 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000008384204 569589393 /nfs/dbraw/zinc/58/93/93/569589393.db2.gz YTVBFSFYSWAKMW-NDEPHWFRSA-N 0 1 490.559 5.748 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000008438777 569589668 /nfs/dbraw/zinc/58/96/68/569589668.db2.gz XQOSCPHVEBIVBK-VWLOTQADSA-N 0 1 486.955 5.651 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccc(OC)cc3)[C@H]2c2ccc(C)cc2)cc1C ZINC000008440526 569590088 /nfs/dbraw/zinc/59/00/88/569590088.db2.gz HEYOGYIAHJZSNG-MHZLTWQESA-N 0 1 485.580 5.532 50 30 JKEAMN CN(C)c1ccc([C@@H]2NC[C@@H](CSc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)O2)cc1 ZINC000055212188 569591222 /nfs/dbraw/zinc/59/12/22/569591222.db2.gz NHAFLDDHDMHTGN-HRAATJIYSA-N 0 1 490.576 5.546 50 30 JKEAMN CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN(Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000034377867 569640099 /nfs/dbraw/zinc/64/00/99/569640099.db2.gz FICLHMZQURYKDA-GOVYPMRZSA-N 0 1 465.637 6.790 50 30 biogenic JKEAMN C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc1OC ZINC000085880097 569716458 /nfs/dbraw/zinc/71/64/58/569716458.db2.gz JBCXJQLJSDNPCR-UHFFFAOYSA-N 0 1 475.501 5.247 50 30 biogenic JKEAMN Cc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 ZINC000094993326 569721435 /nfs/dbraw/zinc/72/14/35/569721435.db2.gz PHAQBQPRQBIASP-HAHDFKILSA-N 0 1 490.556 5.116 50 30 JKEAMN CC(C)Cc1ccc(-c2cnc(CCC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000095947165 569731086 /nfs/dbraw/zinc/73/10/86/569731086.db2.gz QNNPYIKHVBVLHR-UHFFFAOYSA-N 0 1 470.617 5.079 50 30 JKEAMN CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(OCC)cc1 ZINC000097464854 569745122 /nfs/dbraw/zinc/74/51/22/569745122.db2.gz UFMMKIVYRQIHPL-USFSGSQCSA-N 0 1 451.375 6.112 50 30 JKEAMN CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccccc2)CC1 ZINC000097950361 569747065 /nfs/dbraw/zinc/74/70/65/569747065.db2.gz JHKXXSZGBGTBDE-UHFFFAOYSA-N 0 1 493.699 6.893 50 30 JKEAMN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000097952616 569747373 /nfs/dbraw/zinc/74/73/73/569747373.db2.gz RLCGFGLESMXZQU-NHKHRBQYSA-N 0 1 498.623 6.477 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CC)cc3)S2)cc1 ZINC000097959788 569747775 /nfs/dbraw/zinc/74/77/75/569747775.db2.gz UWRKUDWTQPVCGX-SDGJFRJFSA-N 0 1 451.636 5.762 50 30 JKEAMN CCCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CC)cc3)S2)cc1 ZINC000097959789 569747857 /nfs/dbraw/zinc/74/78/57/569747857.db2.gz MOKHTFRSVWJOBP-JJBJMVQMSA-N 0 1 465.663 6.153 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1 ZINC000097959801 569747918 /nfs/dbraw/zinc/74/79/18/569747918.db2.gz WYDPTULJSRLQIQ-ZCBHOAFYSA-N 0 1 453.608 5.209 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000097969094 569748212 /nfs/dbraw/zinc/74/82/12/569748212.db2.gz OQQRKUMOXXEBIW-SANMLTNESA-N 0 1 487.600 5.462 50 30 JKEAMN O=C(Nc1cccc(Cl)c1Cl)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F ZINC000100405145 569759251 /nfs/dbraw/zinc/75/92/51/569759251.db2.gz QDCFIJRFZBKUHE-QDTIIGTASA-N 0 1 472.172 5.550 50 30 JKEAMN NC(=CC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1 ZINC000100006924 569751217 /nfs/dbraw/zinc/75/12/17/569751217.db2.gz IVYLNCUETJNNJU-AYRMWSDDSA-N 0 1 460.621 5.955 50 30 in-vitro JKEAMN COc1ccc(CCNC(=O)c2ccccc2/N=C/c2cc(Cl)cc(Cl)c2O)cc1OC ZINC000100242806 569756198 /nfs/dbraw/zinc/75/61/98/569756198.db2.gz DNPRWWLTQVSJRB-CCVNUDIWSA-N 0 1 473.356 5.439 50 30 JKEAMN CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)cc(Br)c3O)C(=O)N2CC)cc1 ZINC000100259549 569756447 /nfs/dbraw/zinc/75/64/47/569756447.db2.gz APJZGHAPGVILCK-PQUPTFKKSA-N 0 1 481.799 5.831 50 30 JKEAMN O=C(C=CNNc1ccc(Cc2ccc(Cl)cc2Cl)nn1)C=Cc1ccc(Cl)cc1 ZINC000100329189 569757498 /nfs/dbraw/zinc/75/74/98/569757498.db2.gz SNUJRTCISGASSC-USEHSTBZSA-N 0 1 459.764 5.740 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316206 569762335 /nfs/dbraw/zinc/76/23/35/569762335.db2.gz OENWHQJLFQNDGX-SANMLTNESA-N 0 1 483.612 5.445 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036316465 569763008 /nfs/dbraw/zinc/76/30/08/569763008.db2.gz LWXBOATZVQODAX-JOCHJYFZSA-N 0 1 467.585 5.140 50 30 JKEAMN CCCCCCCCCCCCCCCCCCNc1cc(C)nc(-c2ccccc2O)n1 ZINC000100709196 569767338 /nfs/dbraw/zinc/76/73/38/569767338.db2.gz WTIOBRQWNYROQN-UHFFFAOYSA-N 0 1 453.715 8.831 50 30 JKEAMN CCOC(=O)C=C(CC(=O)OCC)Nc1nc(C)n(-c2ccc(C)cc2)c1C(=O)c1ccccc1 ZINC000100743522 569768466 /nfs/dbraw/zinc/76/84/66/569768466.db2.gz FICHCFQWLSRXJP-OBLCDMBQSA-N 0 1 475.545 5.182 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345951 569768594 /nfs/dbraw/zinc/76/85/94/569768594.db2.gz GOBPPHLVTKYLRH-VWLOTQADSA-N 0 1 461.606 5.057 50 30 JKEAMN C=CCC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346486 569769917 /nfs/dbraw/zinc/76/99/17/569769917.db2.gz YSJPISKDCJPFDN-DEOSSOPVSA-N 0 1 475.633 6.088 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346586 569770034 /nfs/dbraw/zinc/77/00/34/569770034.db2.gz SMTYIMHBRGYKGS-JOCHJYFZSA-N 0 1 471.548 5.025 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F)C(C)C ZINC000036346585 569770155 /nfs/dbraw/zinc/77/01/55/569770155.db2.gz SMTYIMHBRGYKGS-QFIPXVFZSA-N 0 1 471.548 5.025 50 30 JKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346607 569770304 /nfs/dbraw/zinc/77/03/04/569770304.db2.gz NVYMHPSESMULPB-QFIPXVFZSA-N 0 1 471.548 5.027 50 30 JKEAMN C=CCC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346800 569770748 /nfs/dbraw/zinc/77/07/48/569770748.db2.gz BMSMKQLMFGHXDZ-MHZLTWQESA-N 0 1 481.640 6.517 50 30 JKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346762 569770751 /nfs/dbraw/zinc/77/07/51/569770751.db2.gz RUVXYZUJEXMARR-HSZRJFAPSA-N 0 1 471.548 5.027 50 30 JKEAMN CCCCc1ccc(N=C2CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 ZINC000100822453 569771544 /nfs/dbraw/zinc/77/15/44/569771544.db2.gz YFMIEVXTTCNVSB-QLYXXIJNSA-N 0 1 450.585 5.461 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Br)cc3)sc2c1 ZINC000101072833 569781417 /nfs/dbraw/zinc/78/14/17/569781417.db2.gz OVPDWXHSSJXWNM-LFVOPCPISA-N 0 1 495.354 5.587 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Br)c2)sc1C ZINC000101100214 569782738 /nfs/dbraw/zinc/78/27/38/569782738.db2.gz XYNAHMWAOQXKFU-GHNGSUTGSA-N 0 1 487.350 5.288 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Br)c3)sc2c1 ZINC000101101522 569782816 /nfs/dbraw/zinc/78/28/16/569782816.db2.gz ZYTDEGZCMDJJGN-WOOAAIBNSA-N 0 1 495.354 5.587 50 30 JKEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000101294183 569790075 /nfs/dbraw/zinc/79/00/75/569790075.db2.gz SCHHLPYPDPCFTR-KXDYMIPJSA-N 0 1 481.548 5.197 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000101313636 569792176 /nfs/dbraw/zinc/79/21/76/569792176.db2.gz DMNHJTGVEJNYRR-KXDYMIPJSA-N 0 1 481.548 5.197 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000101313632 569792212 /nfs/dbraw/zinc/79/22/12/569792212.db2.gz DMNHJTGVEJNYRR-NGAXIMOQSA-N 0 1 481.548 5.197 50 30 JKEAMN CCCCCCCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1 ZINC000101727548 569803464 /nfs/dbraw/zinc/80/34/64/569803464.db2.gz IEHBHNPOMYNZAJ-FQEVSTJZSA-N 0 1 473.581 5.060 50 30 JKEAMN CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC000102099202 569809712 /nfs/dbraw/zinc/80/97/12/569809712.db2.gz BXWAGNNCASBCKI-UHFFFAOYSA-N 0 1 488.629 7.857 50 30 JKEAMN COc1ccc(-c2nc(NCc3cn(-c4ccccc4)nc3-c3ccccc3)[nH]c(=O)c2C#N)cc1 ZINC000040129999 569817082 /nfs/dbraw/zinc/81/70/82/569817082.db2.gz DYGYZISYSLIGCH-UHFFFAOYSA-N 0 1 474.524 5.194 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102859572 569824804 /nfs/dbraw/zinc/82/48/04/569824804.db2.gz DKPTWGHGJIJCJA-NHFXJNLRSA-N 0 1 464.905 5.715 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102864005 569825407 /nfs/dbraw/zinc/82/54/07/569825407.db2.gz SGQVGXUISNIKAB-TXTDGAROSA-N 0 1 498.623 5.120 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000102865498 569825689 /nfs/dbraw/zinc/82/56/89/569825689.db2.gz CAYCWMYNCVUTGU-NHFXJNLRSA-N 0 1 482.895 5.854 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102927698 569826935 /nfs/dbraw/zinc/82/69/35/569826935.db2.gz CDQWSMFJDQMGHD-LODGOHBISA-N 0 1 497.591 5.463 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102927623 569827006 /nfs/dbraw/zinc/82/70/06/569827006.db2.gz ZWXZMSPNUSCUQX-MOBKVPTQSA-N 0 1 458.495 5.463 50 30 JKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102928265 569827170 /nfs/dbraw/zinc/82/71/70/569827170.db2.gz NCAUUKMCGYIGRE-MRJHHRETSA-N 0 1 494.931 5.724 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102928917 569827328 /nfs/dbraw/zinc/82/73/28/569827328.db2.gz XOBWDRUXCCBFEW-JBCNATCCSA-N 0 1 478.932 6.024 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102929075 569827595 /nfs/dbraw/zinc/82/75/95/569827595.db2.gz HAWXUUKTFPRYGW-SELCWUDQSA-N 0 1 454.737 5.105 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102930358 569827952 /nfs/dbraw/zinc/82/79/52/569827952.db2.gz OJJQCWPMBWSFRU-ASBZNUFUSA-N 0 1 499.375 6.439 50 30 JKEAMN 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O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000328579093 570178974 /nfs/dbraw/zinc/17/89/74/570178974.db2.gz PGNINRBPTPERQL-UHFFFAOYSA-N 0 1 492.522 5.127 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000997757 194000213 /nfs/dbraw/zinc/00/02/13/194000213.db2.gz HTMLSKJOADXYEX-LJAQVGFWSA-N 0 1 466.581 6.429 50 30 JKEAMN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000001027519 194005084 /nfs/dbraw/zinc/00/50/84/194005084.db2.gz RUCHFXTUUJEYNB-UHFFFAOYSA-N 0 1 482.461 5.018 50 30 JKEAMN Cc1c(C#N)c(Sc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc12 ZINC000001324185 194085524 /nfs/dbraw/zinc/08/55/24/194085524.db2.gz HFJDMNYSJRYXNZ-UHFFFAOYSA-N 0 1 465.987 6.020 50 30 JKEAMN CCOC(=O)c1cc(C#N)c(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)nc1C(F)(F)F ZINC000003129615 194229261 /nfs/dbraw/zinc/22/92/61/194229261.db2.gz QPEFBDSPNXAZCT-UHFFFAOYSA-N 0 1 488.278 5.392 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Oc2ccc(Cl)cc2)cc1 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CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102730949 130274886 /nfs/dbraw/zinc/27/48/86/130274886.db2.gz YBTNNWRRABKBIV-MRJHHRETSA-N 0 1 452.894 5.052 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102735085 130279429 /nfs/dbraw/zinc/27/94/29/130279429.db2.gz WPQPFNIZWSKDNN-NGAXIMOQSA-N 0 1 481.592 5.929 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCCn4ccnc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102770846 130295418 /nfs/dbraw/zinc/29/54/18/130295418.db2.gz PRYFFHBBNMFPEQ-ONLXDWTESA-N 0 1 499.611 5.016 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc(F)cc1 ZINC000102797319 130306052 /nfs/dbraw/zinc/30/60/52/130306052.db2.gz KBFXRYGVERXRAX-CJJGVWJISA-N 0 1 480.495 5.635 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1OC ZINC000102798614 130306972 /nfs/dbraw/zinc/30/69/72/130306972.db2.gz WGFSUQSBHIPQBI-WOOAAIBNSA-N 0 1 496.541 5.140 50 30 JKEAMN 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CCCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O ZINC000009462401 521118155 /nfs/dbraw/zinc/11/81/55/521118155.db2.gz PBFWMEOTQACGEY-IOYLVGNBSA-N 0 1 475.614 5.881 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc32)C1=O ZINC000009019552 521121169 /nfs/dbraw/zinc/12/11/69/521121169.db2.gz WNJOUMOZSRBHMW-UIAIJNLVSA-N 0 1 460.559 5.772 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000009319610 521168460 /nfs/dbraw/zinc/16/84/60/521168460.db2.gz VTTUVDAXVNXSJB-UGDMGKLASA-N 0 1 496.626 7.434 50 30 JKEAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000008694716 521242115 /nfs/dbraw/zinc/24/21/15/521242115.db2.gz WVNIZXFKUSIINO-MUUNZHRXSA-N 0 1 497.664 7.099 50 30 JKEAMN CCCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009357725 521256357 /nfs/dbraw/zinc/25/63/57/521256357.db2.gz GFPOILCIZSXVCS-FYTHOQKWSA-N 0 1 480.431 6.237 50 30 JKEAMN 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COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009301975 523278016 /nfs/dbraw/zinc/27/80/16/523278016.db2.gz MLLOYLNPLIJNGI-GOSISDBHSA-N 0 1 454.737 5.262 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000009359711 523280067 /nfs/dbraw/zinc/28/00/67/523280067.db2.gz CNEOYMPWWVXTKA-QHCPKHFHSA-N 0 1 471.981 5.298 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009380485 523280803 /nfs/dbraw/zinc/28/08/03/523280803.db2.gz VGMAAHDXUTWKRF-AREMUKBSSA-N 0 1 493.644 5.942 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2C)[C@@H]1c1ccc(F)cc1 ZINC000009339552 523282660 /nfs/dbraw/zinc/28/26/60/523282660.db2.gz AXKWCUSRPBYLSI-SANMLTNESA-N 0 1 489.543 5.328 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009403498 523283280 /nfs/dbraw/zinc/28/32/80/523283280.db2.gz NJWDPXGKZGGISW-AFMDSPMNSA-N 0 1 493.600 5.050 50 30 biogenic JKEAMN 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COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009460769 523565896 /nfs/dbraw/zinc/56/58/96/523565896.db2.gz XOLDECQCZKFBAB-IBGZPJMESA-N 0 1 459.285 5.081 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000009068181 523568110 /nfs/dbraw/zinc/56/81/10/523568110.db2.gz BYFAEUWPZNXETO-LJQANCHMSA-N 0 1 489.380 5.858 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000009271301 523570201 /nfs/dbraw/zinc/57/02/01/523570201.db2.gz ADKMTHYKYCZYMQ-IBGZPJMESA-N 0 1 499.932 5.113 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C(C)=O)s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016732192 523570299 /nfs/dbraw/zinc/57/02/99/523570299.db2.gz OBKJGMRVGKCWHI-IBGZPJMESA-N 0 1 482.945 5.099 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1Cl ZINC000009186449 523570519 /nfs/dbraw/zinc/57/05/19/523570519.db2.gz WFNANJBTBUFGPE-FQEVSTJZSA-N 0 1 455.297 5.180 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009271205 523572808 /nfs/dbraw/zinc/57/28/08/523572808.db2.gz CXAYYHUOIDECIX-JOCHJYFZSA-N 0 1 490.512 5.236 50 30 JKEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009273018 523793726 /nfs/dbraw/zinc/79/37/26/523793726.db2.gz HZBGGSUVUVSUCO-VWLOTQADSA-N 0 1 479.617 5.552 50 30 JKEAMN CCc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000009599402 523859548 /nfs/dbraw/zinc/85/95/48/523859548.db2.gz JRRRMVQRAPIOMJ-OAQYLSRUSA-N 0 1 476.418 6.602 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020083543 524033588 /nfs/dbraw/zinc/03/35/88/524033588.db2.gz BDPFJSFNFKDKRD-MUUNZHRXSA-N 0 1 498.623 5.276 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000009329026 524060500 /nfs/dbraw/zinc/06/05/00/524060500.db2.gz VVMDTBLQYSRGRA-QFIPXVFZSA-N 0 1 492.959 6.434 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2nc(C)c(C)s2)c1 ZINC000009339566 524170698 /nfs/dbraw/zinc/17/06/98/524170698.db2.gz JFNHOLZYXNLMPB-FQEVSTJZSA-N 0 1 484.961 5.213 50 30 JKEAMN COc1cccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000009019041 524173136 /nfs/dbraw/zinc/17/31/36/524173136.db2.gz GJZPHOVOTOVOIR-JHOBJCJYSA-N 0 1 478.592 6.314 50 30 JKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009086311 524384928 /nfs/dbraw/zinc/38/49/28/524384928.db2.gz DLCPVUZKFDNGNY-XTXDOFFSSA-N 0 1 490.353 5.640 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3ccccc3)cc2)c1 ZINC000009507684 524445908 /nfs/dbraw/zinc/44/59/08/524445908.db2.gz GJAVIFNERSDBNU-MUUNZHRXSA-N 0 1 490.559 5.748 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccncc3)cc2)c1 ZINC000009435233 524447458 /nfs/dbraw/zinc/44/74/58/524447458.db2.gz BKVQXQGUNWRLTL-QHCPKHFHSA-N 0 1 483.549 5.208 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccncc4)[C@@H]3c3ccccc3)cc2)c1 ZINC000009462477 524448656 /nfs/dbraw/zinc/44/86/56/524448656.db2.gz YOWJYMGUPCDLFZ-MUUNZHRXSA-N 0 1 490.559 5.748 50 30 JKEAMN COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009264153 524560236 /nfs/dbraw/zinc/56/02/36/524560236.db2.gz HZIKIONOPQEBRF-AREMUKBSSA-N 0 1 473.960 6.561 50 30 JKEAMN Cc1cccc(NC(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2cccs2)c1C ZINC000021722256 524628414 /nfs/dbraw/zinc/62/84/14/524628414.db2.gz FIGNXQOSMBAAEQ-SANMLTNESA-N 0 1 471.626 7.213 50 30 JKEAMN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1 ZINC000022920719 524719006 /nfs/dbraw/zinc/71/90/06/524719006.db2.gz RWCZMPUCKLWBBP-OAQYLSRUSA-N 0 1 484.669 5.090 50 30 JKEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)o2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000009008724 524747858 /nfs/dbraw/zinc/74/78/58/524747858.db2.gz RWPTURWXFFTRHI-HXUWFJFHSA-N 0 1 464.474 5.128 50 30 JKEAMN COc1ccccc1[C@H]1C2=C(C[C@@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)C1CCCCC1 ZINC000009264319 524804079 /nfs/dbraw/zinc/80/40/79/524804079.db2.gz VSUMGPHSHSDCAS-DFXYEROKSA-N 0 1 496.607 6.769 50 30 JKEAMN COc1ccccc1[C@H]1C2=C(C[C@H](c3ccco3)CC2=O)Nc2ccccc2N1C(=O)C1CCCCC1 ZINC000009264317 524804542 /nfs/dbraw/zinc/80/45/42/524804542.db2.gz VSUMGPHSHSDCAS-JRPXNJEYSA-N 0 1 496.607 6.769 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000009375100 524975849 /nfs/dbraw/zinc/97/58/49/524975849.db2.gz REVFUVPDYVJNTK-MMTVBGGISA-N 0 1 495.619 6.129 50 30 JKEAMN Cc1cccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4O)c3)nc21 ZINC000003089566 524995656 /nfs/dbraw/zinc/99/56/56/524995656.db2.gz LUOUBXLQBZJTFJ-BHGWPJFGSA-N 0 1 486.163 6.784 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000009353913 525049912 /nfs/dbraw/zinc/04/99/12/525049912.db2.gz HDQOKZDAKSJOOZ-XMMPIXPASA-N 0 1 486.911 6.212 50 30 JKEAMN 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459.542 5.754 50 30 JKEAMN O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000000702751 553761684 /nfs/dbraw/zinc/76/16/84/553761684.db2.gz MCFVHHAQMZTJNI-AHWVRZQESA-N 0 1 487.527 5.162 50 30 JKEAMN O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000000702750 553761714 /nfs/dbraw/zinc/76/17/14/553761714.db2.gz MCFVHHAQMZTJNI-AOYPEHQESA-N 0 1 487.527 5.162 50 30 JKEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Cl)c2)nc1C ZINC000000702948 553761761 /nfs/dbraw/zinc/76/17/61/553761761.db2.gz VNIFXQBYMUZGOS-HXUWFJFHSA-N 0 1 492.940 5.837 50 30 JKEAMN Cc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000000717366 553769322 /nfs/dbraw/zinc/76/93/22/553769322.db2.gz RAXUPLCJGBXASB-JHOBJCJYSA-N 0 1 474.560 6.802 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000000718132 553770144 /nfs/dbraw/zinc/77/01/44/553770144.db2.gz IJKOFADPWMNLLG-CHJDUVSTSA-N 0 1 466.581 6.314 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000000718099 553770161 /nfs/dbraw/zinc/77/01/61/553770161.db2.gz ALJFDROAVDRWKD-QLXKLKPCSA-N 0 1 496.554 7.078 50 30 JKEAMN O=C(Cc1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000000718118 553770262 /nfs/dbraw/zinc/77/02/62/553770262.db2.gz KPACZAZGZJXFKY-GTYOFVGBSA-N 0 1 490.628 6.891 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000000718264 553770446 /nfs/dbraw/zinc/77/04/46/553770446.db2.gz YWWPINNDSJTXMZ-RNWIMVQKSA-N 0 1 492.575 5.784 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1 ZINC000000719216 553770895 /nfs/dbraw/zinc/77/08/95/553770895.db2.gz FUQXYRNPIYZOII-WVXBCFDCSA-N 0 1 493.651 6.936 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1 ZINC000000719215 553770923 /nfs/dbraw/zinc/77/09/23/553770923.db2.gz FUQXYRNPIYZOII-JHOBJCJYSA-N 0 1 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JKEAMN Cn1cccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=S)Nc1ccccc1 ZINC000001093357 553906290 /nfs/dbraw/zinc/90/62/90/553906290.db2.gz CNNZJWFPVXIJMI-RUZDIDTESA-N 0 1 456.615 6.039 50 30 JKEAMN CCOc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2Cc2ccccc2)ccc1O ZINC000001100576 553907855 /nfs/dbraw/zinc/90/78/55/553907855.db2.gz ZJPAETJNKNSBHC-VWLOTQADSA-N 0 1 469.493 5.316 50 30 JKEAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000001147991 553916471 /nfs/dbraw/zinc/91/64/71/553916471.db2.gz VWBWYTIBPZSSAF-HRFSGMKKSA-N 0 1 498.604 5.845 50 30 JKEAMN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000001178927 553927760 /nfs/dbraw/zinc/92/77/60/553927760.db2.gz RUWOUDIQLMMZAB-YKGWIAGDSA-N 0 1 468.572 6.772 50 30 JKEAMN Cc1n[nH]c(C)c1Sc1ccccc1/N=C/c1cc(Br)cc(Br)c1O ZINC000001203559 553932204 /nfs/dbraw/zinc/93/22/04/553932204.db2.gz FLIRVPDPVPKPQM-ZVBGSRNCSA-N 0 1 481.213 6.159 50 30 JKEAMN 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COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414713 553968600 /nfs/dbraw/zinc/96/86/00/553968600.db2.gz DNIBGHGDFSGVOY-SANMLTNESA-N 0 1 494.547 5.084 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414704 553968621 /nfs/dbraw/zinc/96/86/21/553968621.db2.gz PNLNPSVFARJLOP-HHHXNRCGSA-N 0 1 464.565 5.860 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c(OC)c1 ZINC000001414709 553968684 /nfs/dbraw/zinc/96/86/84/553968684.db2.gz GPEDLHSGRFLYSG-MHZLTWQESA-N 0 1 496.563 5.315 50 30 JKEAMN CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)ccc1O ZINC000001414716 553968699 /nfs/dbraw/zinc/96/86/99/553968699.db2.gz CQQWKUHJHFWKRY-HHHXNRCGSA-N 0 1 496.563 5.402 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000001414769 553969145 /nfs/dbraw/zinc/96/91/45/553969145.db2.gz FGQACIWMRNMBGV-DEOSSOPVSA-N 0 1 474.919 5.781 50 30 JKEAMN 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Cc1c(C=[NH+][N-]c2nc3ccccc3s2)c2ccccc2n1CCCOc1cc(C)ccc1C(C)C ZINC000002590999 554238777 /nfs/dbraw/zinc/23/87/77/554238777.db2.gz WKYFXPCSCICDFM-ZCTHSVRISA-N 0 1 496.680 7.906 50 30 JKEAMN Clc1ccccc1OCCCn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000002590184 554238826 /nfs/dbraw/zinc/23/88/26/554238826.db2.gz JDIMBFLXYRQEIH-JVWAILMASA-N 0 1 460.990 6.820 50 30 JKEAMN Cc1cc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc(C)c1Cl ZINC000002595380 554239894 /nfs/dbraw/zinc/23/98/94/554239894.db2.gz GQKNPSWMKZKFQS-MUFRIFMGSA-N 0 1 489.044 7.436 50 30 JKEAMN C=C1C(C(=O)c2ccccc2)[C@@H](c2cccc(F)c2)NC(=S)N1c1ccc(F)c(Cl)c1 ZINC000002664131 554277081 /nfs/dbraw/zinc/27/70/81/554277081.db2.gz MQXYPSFSJKUWPU-JOCHJYFZSA-N 0 1 454.929 6.211 50 30 JKEAMN CCCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3c(Cl)cccc3Cl)S2)cc1OC ZINC000002670973 554279274 /nfs/dbraw/zinc/27/92/74/554279274.db2.gz AHLMTZCVRUTUFB-ORBAKXMTSA-N 0 1 480.417 5.345 50 30 JKEAMN COc1cc(/C=N/N=C2/NC(=O)C(Cc3ccc(Cl)cc3)S2)ccc1OCc1ccccc1 ZINC000002668981 554279426 /nfs/dbraw/zinc/27/94/26/554279426.db2.gz OYEZVHYHFVMSCU-QNBNLKTOSA-N 0 1 479.989 5.092 50 30 JKEAMN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1 ZINC000002843233 554374328 /nfs/dbraw/zinc/37/43/28/554374328.db2.gz FONZSSYKBQTONS-BRJLIKDPSA-N 0 1 454.707 6.332 50 30 JKEAMN CCN(CC)c1nc2nc(C)[nH]c3nc4c(c(c1C#N)c23)CC(=O)N4c1cc(Cl)cc(Cl)c1 ZINC000003329604 554452807 /nfs/dbraw/zinc/45/28/07/554452807.db2.gz PIJUNFZPDKXRFF-UHFFFAOYSA-N 0 1 480.359 5.060 50 30 JKEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000005918614 554495770 /nfs/dbraw/zinc/49/57/70/554495770.db2.gz HGXCCBGFQSLJOW-VWLOTQADSA-N 0 1 493.531 5.775 50 30 JKEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000005917285 554495777 /nfs/dbraw/zinc/49/57/77/554495777.db2.gz BADRAHKJPIJWLY-MHZLTWQESA-N 0 1 479.576 6.551 50 30 JKEAMN CC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(C)cc1 ZINC000006245716 554522298 /nfs/dbraw/zinc/52/22/98/554522298.db2.gz FKXFBPSKUVNQNN-SMIHKQSGSA-N 0 1 456.380 5.156 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2Cc2ccccc2)cc1 ZINC000006296903 554528400 /nfs/dbraw/zinc/52/84/00/554528400.db2.gz XEYZNRIUVYNJLO-NYFMKLKXSA-N 0 1 486.615 7.269 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)C(=O)C(=O)N2Cc2ccco2)cc1OC ZINC000006355372 554532625 /nfs/dbraw/zinc/53/26/25/554532625.db2.gz SUKZZWPEGBHTIE-RUZDIDTESA-N 0 1 491.540 5.254 50 30 JKEAMN CCOc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc(Br)c1O ZINC000006600356 554555269 /nfs/dbraw/zinc/55/52/69/554555269.db2.gz WKSHJHCAEWRSAV-MUFRIFMGSA-N 0 1 487.353 7.103 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000008383916 554567388 /nfs/dbraw/zinc/56/73/88/554567388.db2.gz FUIBZUNBGGTVCK-PPHZAIPVSA-N 0 1 499.563 5.417 50 30 JKEAMN Cc1ccc2oc(-c3ccc(/N=C/c4cccc(I)c4)cc3O)nc2c1 ZINC000008427290 554582483 /nfs/dbraw/zinc/58/24/83/554582483.db2.gz AAUSJSQVCGLIOG-FSJBWODESA-N 0 1 454.267 5.864 50 30 JKEAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000008430969 554584131 /nfs/dbraw/zinc/58/41/31/554584131.db2.gz IFRSWQKWIQZJHA-SSEXGKCCSA-N 0 1 480.608 6.471 50 30 JKEAMN CC(C)Oc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000008432237 554585299 /nfs/dbraw/zinc/58/52/99/554585299.db2.gz NGNCCMOJCYCRDA-WJOKGBTCSA-N 0 1 494.635 6.860 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000008441572 554591446 /nfs/dbraw/zinc/59/14/46/554591446.db2.gz QMCOEIRILVZNDN-RUZDIDTESA-N 0 1 489.524 5.008 50 30 JKEAMN CCCCOc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000008443880 554593318 /nfs/dbraw/zinc/59/33/18/554593318.db2.gz SZPZENFVPMQHFL-XMMPIXPASA-N 0 1 486.534 6.571 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1OCC ZINC000008444047 554593446 /nfs/dbraw/zinc/59/34/46/554593446.db2.gz DMRIFLNQRCKWNA-MUUNZHRXSA-N 0 1 460.618 6.809 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008444470 554593964 /nfs/dbraw/zinc/59/39/64/554593964.db2.gz PIFXHPRARWRRND-AFJIDDCJSA-N 0 1 499.567 6.669 50 30 JKEAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008456274 554600461 /nfs/dbraw/zinc/60/04/61/554600461.db2.gz KZOTYFCFTAZSIJ-XMMPIXPASA-N 0 1 485.550 6.238 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008738324 554639791 /nfs/dbraw/zinc/63/97/91/554639791.db2.gz NNJHEUKKTSZQQV-FQEVSTJZSA-N 0 1 494.569 5.436 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000008740859 554642883 /nfs/dbraw/zinc/64/28/83/554642883.db2.gz GPNRGGMHBFQCTM-NRFANRHFSA-N 0 1 460.511 5.243 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008740830 554642933 /nfs/dbraw/zinc/64/29/33/554642933.db2.gz YUDKKBPKUNRZSP-RUZDIDTESA-N 0 1 470.569 5.556 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008741082 554643498 /nfs/dbraw/zinc/64/34/98/554643498.db2.gz NGYRPAMFBRKLDS-HXUWFJFHSA-N 0 1 464.930 5.888 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000008742874 554645598 /nfs/dbraw/zinc/64/55/98/554645598.db2.gz RYLJTXLBBHCGLX-RUZDIDTESA-N 0 1 479.617 5.696 50 30 JKEAMN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000008743659 554646701 /nfs/dbraw/zinc/64/67/01/554646701.db2.gz QSHAGGLFPKBXFB-XMMPIXPASA-N 0 1 469.633 5.393 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C(=O)OC)cc3)sc2c1 ZINC000008744083 554647147 /nfs/dbraw/zinc/64/71/47/554647147.db2.gz AFGCDSNVWBJVJI-NRFANRHFSA-N 0 1 488.521 5.021 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000008753336 554655047 /nfs/dbraw/zinc/65/50/47/554655047.db2.gz VXIAOUMLMFQQOR-PIIWDFAUSA-N 0 1 456.973 6.651 50 30 JKEAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccs1)C(F)(F)F ZINC000008756349 554658545 /nfs/dbraw/zinc/65/85/45/554658545.db2.gz WSPWJMBXBCNIDZ-CMJOXMDJSA-N 0 1 486.490 6.350 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000008767354 554668050 /nfs/dbraw/zinc/66/80/50/554668050.db2.gz ZUEHWFYEBDURQO-FQEVSTJZSA-N 0 1 470.294 5.268 50 30 JKEAMN C=CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000008779368 554676741 /nfs/dbraw/zinc/67/67/41/554676741.db2.gz ZRFYZTNXNBEMHM-IBGZPJMESA-N 0 1 494.956 5.231 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000008816702 554698761 /nfs/dbraw/zinc/69/87/61/554698761.db2.gz IFOVDBTUQBZZSQ-FQEVSTJZSA-N 0 1 475.482 5.197 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008816855 554698998 /nfs/dbraw/zinc/69/89/98/554698998.db2.gz NMXIUSGRLXTBPG-IBGZPJMESA-N 0 1 466.902 5.334 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008817032 554699537 /nfs/dbraw/zinc/69/95/37/554699537.db2.gz TXXAPMZIVHGFTQ-NRFANRHFSA-N 0 1 489.484 5.435 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000008817230 554699816 /nfs/dbraw/zinc/69/98/16/554699816.db2.gz XTMGZLIKCJYBJF-VWLOTQADSA-N 0 1 470.569 5.475 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000008817769 554700836 /nfs/dbraw/zinc/70/08/36/554700836.db2.gz GVIKTKUOYDSPKE-INIZCTEOSA-N 0 1 475.751 5.342 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000008818033 554701577 /nfs/dbraw/zinc/70/15/77/554701577.db2.gz OZAQKSIVTDJJDD-HXUWFJFHSA-N 0 1 480.542 5.679 50 30 JKEAMN CCN(CC)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccco3)C2)cc1 ZINC000008818281 554701923 /nfs/dbraw/zinc/70/19/23/554701923.db2.gz ORADDLQDUCYHLG-KCWXNJEJSA-N 0 1 469.585 6.046 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000008818343 554702121 /nfs/dbraw/zinc/70/21/21/554702121.db2.gz LFNSOXOCLMWLJJ-JRPXNJEYSA-N 0 1 483.612 6.436 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008818406 554702127 /nfs/dbraw/zinc/70/21/27/554702127.db2.gz HKZNNBUAIMSYCL-SANMLTNESA-N 0 1 470.569 5.771 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000008827782 554717893 /nfs/dbraw/zinc/71/78/93/554717893.db2.gz RSLYGUFSUVGFFP-HXUWFJFHSA-N 0 1 469.280 5.819 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)no1 ZINC000008827777 554717941 /nfs/dbraw/zinc/71/79/41/554717941.db2.gz HCGAVPSFKRXFFM-HXUWFJFHSA-N 0 1 479.286 5.275 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008837333 554738112 /nfs/dbraw/zinc/73/81/12/554738112.db2.gz KSIPCGKLGHAQAK-IBGZPJMESA-N 0 1 466.515 5.288 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008837332 554738142 /nfs/dbraw/zinc/73/81/42/554738142.db2.gz KSIPCGKLGHAQAK-LJQANCHMSA-N 0 1 466.515 5.288 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)cc1C ZINC000008838039 554739318 /nfs/dbraw/zinc/73/93/18/554739318.db2.gz GOBIJYHLFXPBLN-AREMUKBSSA-N 0 1 470.569 5.656 50 30 JKEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000008845566 554743105 /nfs/dbraw/zinc/74/31/05/554743105.db2.gz LSPYKOWDASTCPL-MHZLTWQESA-N 0 1 485.540 5.393 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccnc3)cc2)c1 ZINC000008845598 554743325 /nfs/dbraw/zinc/74/33/25/554743325.db2.gz LKWQWMQLVMFVAY-HSZRJFAPSA-N 0 1 483.549 5.208 50 30 JKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(O)cc2)cc1Br ZINC000008846448 554744902 /nfs/dbraw/zinc/74/49/02/554744902.db2.gz HJZBUUAHBOTMLP-OAQYLSRUSA-N 0 1 498.760 5.899 50 30 JKEAMN CCCCCCCCCCCCCCCCOC[C@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC ZINC000008860523 554757030 /nfs/dbraw/zinc/75/70/30/554757030.db2.gz RZNRKXGAJMGLIM-RUZDIDTESA-O 0 1 496.690 6.339 50 30 in-vitro JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000008892355 554780644 /nfs/dbraw/zinc/78/06/44/554780644.db2.gz FTVMJBCKYJMMNJ-HXUWFJFHSA-N 0 1 452.825 5.170 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894258 554783353 /nfs/dbraw/zinc/78/33/53/554783353.db2.gz XVSCYWGVVYWNQM-FQEVSTJZSA-N 0 1 475.482 5.143 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008894648 554783894 /nfs/dbraw/zinc/78/38/94/554783894.db2.gz YQSQGGMBXDGGMK-OAQYLSRUSA-N 0 1 489.509 5.451 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000008894814 554784274 /nfs/dbraw/zinc/78/42/74/554784274.db2.gz TYDQMNOZCYDQGH-NRFANRHFSA-N 0 1 497.345 5.316 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008894842 554784296 /nfs/dbraw/zinc/78/42/96/554784296.db2.gz BWYQDIIYUCYMBS-NRFANRHFSA-N 0 1 485.323 5.638 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000008900622 554793126 /nfs/dbraw/zinc/79/31/26/554793126.db2.gz KMEDKXMWOJMEGZ-GOSISDBHSA-N 0 1 477.344 5.989 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3F)sc2c1 ZINC000008902375 554796349 /nfs/dbraw/zinc/79/63/49/554796349.db2.gz GWMVAMCRSXXMCP-OAQYLSRUSA-N 0 1 478.501 5.518 50 30 JKEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)ccc1OCC(C)C ZINC000008904739 554799318 /nfs/dbraw/zinc/79/93/18/554799318.db2.gz ORXOIORNLABQLQ-RUZDIDTESA-N 0 1 474.532 5.342 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008915006 554808063 /nfs/dbraw/zinc/80/80/63/554808063.db2.gz OJGMQBTZUIUSBV-HSZRJFAPSA-N 0 1 462.933 5.301 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008915065 554808069 /nfs/dbraw/zinc/80/80/69/554808069.db2.gz XZKAWLQGKHBWAJ-HXUWFJFHSA-N 0 1 480.998 6.357 50 30 JKEAMN CCc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)nc2c1 ZINC000008916110 554810272 /nfs/dbraw/zinc/81/02/72/554810272.db2.gz RYXGNKIZSXFEIZ-BRJLIKDPSA-N 0 1 455.739 6.929 50 30 JKEAMN C=CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(C)cc2)n1 ZINC000008916260 554810517 /nfs/dbraw/zinc/81/05/17/554810517.db2.gz TZWFNSRYTMUUAB-UHFFFAOYSA-N 0 1 478.961 5.967 50 30 JKEAMN C=CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccc(OC)cc2)n1 ZINC000008916162 554810553 /nfs/dbraw/zinc/81/05/53/554810553.db2.gz KOOKKYIIJQEJBR-UHFFFAOYSA-N 0 1 494.960 5.668 50 30 JKEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008920689 554817318 /nfs/dbraw/zinc/81/73/18/554817318.db2.gz LDYMKOREURJQJX-OAQYLSRUSA-N 0 1 462.477 5.666 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000008921481 554818379 /nfs/dbraw/zinc/81/83/79/554818379.db2.gz HHTWFBDPKGSUDI-JOCHJYFZSA-N 0 1 464.880 5.220 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008922366 554819166 /nfs/dbraw/zinc/81/91/66/554819166.db2.gz VHFZKOOQMVOTSL-GDJIYFAZSA-N 0 1 485.515 6.045 50 30 JKEAMN Oc1ccc2ccccc2c1C=NNc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 ZINC000008927068 554824476 /nfs/dbraw/zinc/82/44/76/554824476.db2.gz AVOPGVRSRAAVSG-STBIYBPSSA-N 0 1 495.380 6.878 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2cccc(O)c2)C1 ZINC000008972234 554844335 /nfs/dbraw/zinc/84/43/35/554844335.db2.gz QGZZKBUJOAYAGB-NDEPHWFRSA-N 0 1 452.554 5.778 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973556 554844477 /nfs/dbraw/zinc/84/44/77/554844477.db2.gz MGKIXJCGVXOGEI-LJQANCHMSA-N 0 1 477.523 5.357 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973383 554844574 /nfs/dbraw/zinc/84/45/74/554844574.db2.gz LUJGTLQZVMKGHA-IBGZPJMESA-N 0 1 493.522 5.058 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973642 554844951 /nfs/dbraw/zinc/84/49/51/554844951.db2.gz BJDLFNXCNIAJRV-OAQYLSRUSA-N 0 1 478.932 6.180 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000008974045 554845534 /nfs/dbraw/zinc/84/55/34/554845534.db2.gz IFOVDBTUQBZZSQ-HXUWFJFHSA-N 0 1 475.482 5.197 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008980892 554846847 /nfs/dbraw/zinc/84/68/47/554846847.db2.gz CDUQRYYYQUBOGP-FQEVSTJZSA-N 0 1 480.929 5.724 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008987900 554850402 /nfs/dbraw/zinc/85/04/02/554850402.db2.gz XBOLZBYSHNEOON-JOCHJYFZSA-N 0 1 490.537 5.388 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)nc2c(C)c1 ZINC000008988326 554850933 /nfs/dbraw/zinc/85/09/33/554850933.db2.gz FTNDVMYVJMBGAE-FQEVSTJZSA-N 0 1 464.930 5.942 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000008996629 554857565 /nfs/dbraw/zinc/85/75/65/554857565.db2.gz XHCPLIAVKNPHKP-GOSISDBHSA-N 0 1 473.710 5.182 50 30 JKEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008996711 554857572 /nfs/dbraw/zinc/85/75/72/554857572.db2.gz JYJCMDZFJPCSLP-HXUWFJFHSA-N 0 1 494.544 5.284 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008996871 554858400 /nfs/dbraw/zinc/85/84/00/554858400.db2.gz LJOALBWPUWLQIN-OAQYLSRUSA-N 0 1 490.537 5.252 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008997027 554858574 /nfs/dbraw/zinc/85/85/74/554858574.db2.gz FHHMBBAAUGGISM-NRFANRHFSA-N 0 1 495.329 5.093 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000009007886 554861549 /nfs/dbraw/zinc/86/15/49/554861549.db2.gz BAKQNOPXBCEETN-RUZDIDTESA-N 0 1 472.541 5.001 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000009008163 554862514 /nfs/dbraw/zinc/86/25/14/554862514.db2.gz AGHYMBPVZUWZBG-FQEVSTJZSA-N 0 1 493.447 5.266 50 30 JKEAMN COc1cc(/C=N/c2ccc(Br)cc2)c(Br)c(Br)c1O ZINC000009262754 555037479 /nfs/dbraw/zinc/03/74/79/555037479.db2.gz HPTZFYLIQNELOB-CNHKJKLMSA-N 0 1 463.951 5.439 50 30 JKEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 ZINC000009270348 555044515 /nfs/dbraw/zinc/04/45/15/555044515.db2.gz NIXQQPYSJVDJGW-MHZLTWQESA-N 0 1 491.547 5.143 50 30 JKEAMN CC[C@@H](C)c1ccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000009459098 555226923 /nfs/dbraw/zinc/22/69/23/555226923.db2.gz QDJXTCFKKXHBFF-CJHIPLPSSA-N 0 1 468.626 7.290 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009462970 555232470 /nfs/dbraw/zinc/23/24/70/555232470.db2.gz WQIZVCHJIDPPEY-MHZLTWQESA-N 0 1 499.563 5.415 50 30 JKEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000009463268 555233158 /nfs/dbraw/zinc/23/31/58/555233158.db2.gz HAGAGQZPDARQHN-QHCPKHFHSA-N 0 1 496.346 5.543 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000009463921 555234708 /nfs/dbraw/zinc/23/47/08/555234708.db2.gz OTFYOECECXVHGK-JRPXNJEYSA-N 0 1 499.054 7.558 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000009463924 555234916 /nfs/dbraw/zinc/23/49/16/555234916.db2.gz OTFYOECECXVHGK-URAOTHONSA-N 0 1 499.054 7.558 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O ZINC000013477943 555403124 /nfs/dbraw/zinc/40/31/24/555403124.db2.gz GRZTXKQFQQJZKX-FOKLQQMPSA-N 0 1 468.263 5.630 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc3ccccc32)cc1 ZINC000013548594 555490516 /nfs/dbraw/zinc/49/05/16/555490516.db2.gz FHZDDOWRCJEECM-SANMLTNESA-N 0 1 464.521 5.412 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccs3)cc2)c1 ZINC000013549719 555491052 /nfs/dbraw/zinc/49/10/52/555491052.db2.gz CPQTUMNZSKCJCA-SANMLTNESA-N 0 1 496.588 5.809 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccccc3)cc2)c1 ZINC000013570249 555508470 /nfs/dbraw/zinc/50/84/70/555508470.db2.gz USGILFFYYLPJEK-MHZLTWQESA-N 0 1 479.532 5.946 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000013571532 555509904 /nfs/dbraw/zinc/50/99/04/555509904.db2.gz CRWFXKSVVPESAR-NRFANRHFSA-N 0 1 462.502 5.682 50 30 JKEAMN O=C1C=CC(=[NH+][N-]c2cccc(Cl)c2)C=C1C=Nc1ccc(-c2nc3ccccc3s2)c(O)c1 ZINC000013574324 555512856 /nfs/dbraw/zinc/51/28/56/555512856.db2.gz DWJLSDRDDBRYSI-PDUDLSLDSA-N 0 1 484.968 8.194 50 30 JKEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C(C)(C)C)on2)c1 ZINC000019925504 555540917 /nfs/dbraw/zinc/54/09/17/555540917.db2.gz DUOLSYBZCGAJGA-JOCHJYFZSA-N 0 1 496.947 5.426 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1OCCC ZINC000013688446 555581645 /nfs/dbraw/zinc/58/16/45/555581645.db2.gz BXNPJEYMJGMKCE-GDLZYMKVSA-N 0 1 474.645 7.199 50 30 JKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Br)c1 ZINC000013692969 555587747 /nfs/dbraw/zinc/58/77/47/555587747.db2.gz KEONBQZTWZIZJX-JOCHJYFZSA-N 0 1 489.325 5.369 50 30 JKEAMN CCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(OC)cc2)C1=O ZINC000013748583 555607871 /nfs/dbraw/zinc/60/78/71/555607871.db2.gz IHNWQJJQGFUPHY-VBFAIDSNSA-N 0 1 490.423 5.101 50 30 JKEAMN CCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000013750868 555609531 /nfs/dbraw/zinc/60/95/31/555609531.db2.gz KKRIAXBMKIOCLP-NEGRWPSESA-N 0 1 478.387 5.231 50 30 JKEAMN O=C([O-])c1ccc(N[NH+]=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 ZINC000013759624 555612525 /nfs/dbraw/zinc/61/25/25/555612525.db2.gz HSZSFIHFYNHROH-AWUWXFTQSA-N 0 1 460.537 6.187 50 30 JKEAMN O=C([O-])c1ccc(N[NH+]=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 ZINC000013759625 555612557 /nfs/dbraw/zinc/61/25/57/555612557.db2.gz HSZSFIHFYNHROH-LUJVFJMUSA-N 0 1 460.537 6.187 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCCC)cc1 ZINC000013882099 555640185 /nfs/dbraw/zinc/64/01/85/555640185.db2.gz TYQZQOOJDJNSSL-GDLZYMKVSA-N 0 1 474.645 7.199 50 30 JKEAMN COc1ccccc1OCCCOc1ccc(Cl)cc1C=NNc1nc2ccccc2s1 ZINC000013893616 555641547 /nfs/dbraw/zinc/64/15/47/555641547.db2.gz ITVHSHDQSIRUPB-WGOQTCKBSA-N 0 1 467.978 6.252 50 30 JKEAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCn4c5ccccc5oc4=S)ccc3n2)CC1 ZINC000020108695 555643811 /nfs/dbraw/zinc/64/38/11/555643811.db2.gz KIKASHBIPWWKBA-UHFFFAOYSA-N 0 1 475.618 5.641 50 30 JKEAMN CCCc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000020129750 555655479 /nfs/dbraw/zinc/65/54/79/555655479.db2.gz MSIBBNQTKJIFEQ-UHFFFAOYSA-N 0 1 474.008 5.166 50 30 JKEAMN CC(C)(C)c1ccc(-c2nc(SCc3ccc(Br)cc3)[nH]c(=O)c2C#N)cc1 ZINC000015859787 556031026 /nfs/dbraw/zinc/03/10/26/556031026.db2.gz NLVCVQFWBUQJPT-UHFFFAOYSA-N 0 1 454.393 6.073 50 30 JKEAMN Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859821 556031441 /nfs/dbraw/zinc/03/14/41/556031441.db2.gz PQJGJTWFXMOVPS-LBPRGKRZSA-N 0 1 459.358 5.455 50 30 JKEAMN N#CCCCN1CCN(C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)CC1 ZINC000023336810 556046802 /nfs/dbraw/zinc/04/68/02/556046802.db2.gz XPFUCEYEJOMSPN-UHFFFAOYSA-N 0 1 468.388 5.112 50 30 JKEAMN Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000015931364 556070420 /nfs/dbraw/zinc/07/04/20/556070420.db2.gz SIXPEVLBSIHLSS-GNVQSUKOSA-N 0 1 455.539 5.744 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080825 556119174 /nfs/dbraw/zinc/11/91/74/556119174.db2.gz IOAMBFKMJDGRLL-RUZDIDTESA-N 0 1 478.633 5.221 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000024080825 556119177 /nfs/dbraw/zinc/11/91/77/556119177.db2.gz IOAMBFKMJDGRLL-RUZDIDTESA-N 0 1 478.633 5.221 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024080945 556119442 /nfs/dbraw/zinc/11/94/42/556119442.db2.gz JMASQPKMGVNULT-RUZDIDTESA-N 0 1 464.606 5.047 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000024080945 556119445 /nfs/dbraw/zinc/11/94/45/556119445.db2.gz JMASQPKMGVNULT-RUZDIDTESA-N 0 1 464.606 5.047 50 30 JKEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000024192996 556126071 /nfs/dbraw/zinc/12/60/71/556126071.db2.gz MOYQSMIMNZFYPR-SANMLTNESA-N 0 1 482.536 5.365 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000016805728 556161658 /nfs/dbraw/zinc/16/16/58/556161658.db2.gz ZOUVHLSDYZKZAN-AREMUKBSSA-N 0 1 484.552 5.214 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000016971620 556192138 /nfs/dbraw/zinc/19/21/38/556192138.db2.gz CUGZKDNLUVUMLK-DNOBIOAJSA-N 0 1 460.936 6.400 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OC(C)C)cc1 ZINC000016977636 556194824 /nfs/dbraw/zinc/19/48/24/556194824.db2.gz RNNSWZCATGZTBS-GDLZYMKVSA-N 0 1 474.645 7.197 50 30 JKEAMN CN(C)c1ccc([C@H]2NC[C@@H](CSc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)O2)cc1 ZINC000025583809 556226467 /nfs/dbraw/zinc/22/64/67/556226467.db2.gz CFOQMSXQRLVCHV-CVDCTZTESA-N 0 1 484.547 5.484 50 30 JKEAMN O=C(N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000017180053 556234340 /nfs/dbraw/zinc/23/43/40/556234340.db2.gz OCVLJZYSDAGPFK-CMJOXMDJSA-N 0 1 497.429 5.651 50 30 JKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OCCOc1ccc(C)c(C)c1 ZINC000017194717 556237566 /nfs/dbraw/zinc/23/75/66/556237566.db2.gz DVIRMFIPQJSAIU-JVWAILMASA-N 0 1 477.586 5.834 50 30 JKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OCCOc1ccc(C)c(C)c1 ZINC000017194717 556237568 /nfs/dbraw/zinc/23/75/68/556237568.db2.gz DVIRMFIPQJSAIU-JVWAILMASA-N 0 1 477.586 5.834 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000017196371 556238482 /nfs/dbraw/zinc/23/84/82/556238482.db2.gz HPSFUBQGMLWZIG-NGOKVRLYSA-N 0 1 454.570 6.498 50 30 JKEAMN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1O ZINC000017206894 556240687 /nfs/dbraw/zinc/24/06/87/556240687.db2.gz ITDWOSOUPVNZKQ-BHGWPJFGSA-N 0 1 453.292 5.736 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc4ccccc43)ccc2O1 ZINC000026842315 556264533 /nfs/dbraw/zinc/26/45/33/556264533.db2.gz YMAKGQRIHPBHER-QLXKLKPCSA-N 0 1 465.505 5.535 50 30 JKEAMN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccccc3s2)ccc1O ZINC000017860456 556269141 /nfs/dbraw/zinc/26/91/41/556269141.db2.gz XUGWQKIGTBOVEZ-OAQYLSRUSA-N 0 1 492.940 5.447 50 30 JKEAMN Cc1ccc(S(=O)(=O)N=C2CC(=Nc3cc(Cl)ccc3Cl)C(=O)c3ccccc32)cc1 ZINC000018058024 556281217 /nfs/dbraw/zinc/28/12/17/556281217.db2.gz CSPUQCZFJXWDCF-NHFJDJAPSA-N 0 1 471.365 5.672 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000018122793 556291073 /nfs/dbraw/zinc/29/10/73/556291073.db2.gz VUXHMNONJIHLCR-KWMCUTETSA-N 0 1 472.541 5.607 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000018122792 556291169 /nfs/dbraw/zinc/29/11/69/556291169.db2.gz VUXHMNONJIHLCR-WRHNGFHOSA-N 0 1 472.541 5.607 50 30 JKEAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000018122976 556291244 /nfs/dbraw/zinc/29/12/44/556291244.db2.gz NXTQXTCAKTWGHY-MUUNZHRXSA-N 0 1 465.597 6.209 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C#N)cc1 ZINC000018136893 556292536 /nfs/dbraw/zinc/29/25/36/556292536.db2.gz ZMLGDYGIDZKQKD-RBTNQOKQSA-N 0 1 451.501 5.618 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(OC)c2)cc1 ZINC000018169523 556297555 /nfs/dbraw/zinc/29/75/55/556297555.db2.gz MWOMBNKHBHRFCS-ONOMSOESSA-N 0 1 468.553 5.624 50 30 JKEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000027987719 556310886 /nfs/dbraw/zinc/31/08/86/556310886.db2.gz CRLMZZBSIYBYOR-MUUNZHRXSA-N 0 1 499.567 5.701 50 30 JKEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000027987725 556310935 /nfs/dbraw/zinc/31/09/35/556310935.db2.gz OFMZPPOKISLSNG-MHZLTWQESA-N 0 1 485.540 5.311 50 30 JKEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3c(C)cc(C)cc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000027987714 556311004 /nfs/dbraw/zinc/31/10/04/556311004.db2.gz CRLMZZBSIYBYOR-NDEPHWFRSA-N 0 1 499.567 5.701 50 30 JKEAMN C=CCN(C(=O)CSc1nc(-c2ccc(CC)cc2)n[nH]1)c1nc(-c2ccccc2)cs1 ZINC000013113054 556316511 /nfs/dbraw/zinc/31/65/11/556316511.db2.gz AOGDXSORWNCXIJ-UHFFFAOYSA-N 0 1 461.616 5.469 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000018250742 556316656 /nfs/dbraw/zinc/31/66/56/556316656.db2.gz LYWQNZVLCGBJLO-LGGPFLRQSA-N 0 1 470.638 7.229 50 30 JKEAMN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000018283384 556318691 /nfs/dbraw/zinc/31/86/91/556318691.db2.gz WVUWJNXSRREKBS-UZTOHYMASA-N 0 1 482.630 7.024 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2c2ccccc2)C1 ZINC000018283913 556318713 /nfs/dbraw/zinc/31/87/13/556318713.db2.gz GHJRSVXUXSRDAC-WGEKEBQTSA-N 0 1 495.667 6.981 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1c[nH]c2ccccc21 ZINC000018322587 556319242 /nfs/dbraw/zinc/31/92/42/556319242.db2.gz SMLFIUCOHLDJME-NDEPHWFRSA-N 0 1 461.565 6.625 50 30 biogenic JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1 ZINC000018286766 556319331 /nfs/dbraw/zinc/31/93/31/556319331.db2.gz MLASCQDFELZPIC-MNNSJKJDSA-N 0 1 465.597 6.300 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1cccs1 ZINC000018324929 556319862 /nfs/dbraw/zinc/31/98/62/556319862.db2.gz DMWDXODJVBEXCB-PPHZAIPVSA-N 0 1 457.599 5.735 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@@H]1c1cccs1 ZINC000018324932 556319909 /nfs/dbraw/zinc/31/99/09/556319909.db2.gz DMWDXODJVBEXCB-WINIVTDRSA-N 0 1 457.599 5.735 50 30 JKEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccncc1 ZINC000013120306 556332754 /nfs/dbraw/zinc/33/27/54/556332754.db2.gz CKSCQMZIXQMQRR-HHHXNRCGSA-N 0 1 491.547 5.143 50 30 JKEAMN Cc1cc(N2CCN([C@@H](c3ccccc3)c3ccccc3Cl)CC2)n2c3ccccc3nc2c1C#N ZINC000019288044 556337719 /nfs/dbraw/zinc/33/77/19/556337719.db2.gz XSTIKRDCXAETJK-LJAQVGFWSA-N 0 1 492.026 6.233 50 30 JKEAMN COc1ccc(Br)cc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000019682297 556359769 /nfs/dbraw/zinc/35/97/69/556359769.db2.gz WNEPDZYDHJVUAB-WPWMEQJKSA-N 0 1 462.391 5.179 50 30 JKEAMN Cc1ccc(-c2nc([N-][NH+]=Cc3ccc(N(C)C)cc3)sc2NC(=O)c2ccc(F)cc2)cc1 ZINC000031829214 556408424 /nfs/dbraw/zinc/40/84/24/556408424.db2.gz VJQFXWYQVZNAJP-NTFVMDSBSA-N 0 1 473.577 6.022 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2OC)cc1 ZINC000008438763 562939289 /nfs/dbraw/zinc/93/92/89/562939289.db2.gz OSFUKKXMEAGNGB-AREMUKBSSA-N 0 1 482.536 5.006 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000008695506 562954685 /nfs/dbraw/zinc/95/46/85/562954685.db2.gz ULRYCWLIRBQNFT-DHRITJCHSA-N 0 1 466.332 5.817 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000008438704 569589688 /nfs/dbraw/zinc/58/96/88/569589688.db2.gz AWPBPUVSNVWYEJ-AREMUKBSSA-N 0 1 482.536 5.006 50 30 JKEAMN Cc1ccc(OCCN2CCN(c3c(CCC(C)C)c(C)c(C#N)c4nc5ccccc5n43)CC2)cc1 ZINC000054290478 569589793 /nfs/dbraw/zinc/58/97/93/569589793.db2.gz RLCDINDNRHPAIC-UHFFFAOYSA-N 0 1 495.671 5.766 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008440772 569590162 /nfs/dbraw/zinc/59/01/62/569590162.db2.gz IJLFFQIPUGXBIR-OAQYLSRUSA-N 0 1 482.330 5.219 50 30 JKEAMN CCCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)cc1 ZINC000008445114 569590601 /nfs/dbraw/zinc/59/06/01/569590601.db2.gz PJBRAPMNULBSBF-WKRVVKTRSA-N 0 1 496.607 6.405 50 30 JKEAMN COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)c1 ZINC000064874049 569641390 /nfs/dbraw/zinc/64/13/90/569641390.db2.gz VUUFCPUXOVECIR-RUZDIDTESA-N 0 1 486.572 5.119 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000064874058 569641404 /nfs/dbraw/zinc/64/14/04/569641404.db2.gz GNXREVXRRDSRPV-QFIPXVFZSA-N 0 1 481.383 6.100 50 30 JKEAMN Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@H]3c2c(Cl)cccc2Cl)cc1 ZINC000064874071 569641437 /nfs/dbraw/zinc/64/14/37/569641437.db2.gz PAYBBEXIZQVPBX-HSZRJFAPSA-N 0 1 495.410 6.409 50 30 JKEAMN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1c(Cl)cccc1Cl ZINC000064874237 569641496 /nfs/dbraw/zinc/64/14/96/569641496.db2.gz IBCSWALITQVBAQ-NRFANRHFSA-N 0 1 453.329 5.464 50 30 JKEAMN Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2c(Cl)cccc2Cl)cc1 ZINC000064874241 569641555 /nfs/dbraw/zinc/64/15/55/569641555.db2.gz OQNXYTGXESZFLY-QFIPXVFZSA-N 0 1 467.356 5.773 50 30 JKEAMN CCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000034798515 569661067 /nfs/dbraw/zinc/66/10/67/569661067.db2.gz MKAPURLHYYUIIC-JQPPHZCXSA-N 0 1 496.430 5.855 50 30 JKEAMN CC(C)(C)c1ccc([C@H](CNc2oc(COc3ccc(Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000035671290 569706072 /nfs/dbraw/zinc/70/60/72/569706072.db2.gz HEGWVPIFWXSNIY-VWLOTQADSA-N 0 1 493.051 6.715 50 30 JKEAMN CC(C)(C)c1ccc([C@@H](CNc2oc(COc3ccc(Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000035671288 569706130 /nfs/dbraw/zinc/70/61/30/569706130.db2.gz HEGWVPIFWXSNIY-RUZDIDTESA-N 0 1 493.051 6.715 50 30 JKEAMN COc1ccc([C@@H](CNc2oc(COc3ccc(Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000035671629 569706180 /nfs/dbraw/zinc/70/61/80/569706180.db2.gz BYZSJHGAKFQFGD-HSZRJFAPSA-N 0 1 466.969 5.426 50 30 JKEAMN COc1ccc([C@H](CNc2oc(COc3ccc(Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000035671631 569706208 /nfs/dbraw/zinc/70/62/08/569706208.db2.gz BYZSJHGAKFQFGD-QHCPKHFHSA-N 0 1 466.969 5.426 50 30 JKEAMN CCc1ccc([C@H](CNc2oc(COc3ccc(Cl)cc3)nc2C#N)N2CCCCC2)cc1 ZINC000035671588 569706230 /nfs/dbraw/zinc/70/62/30/569706230.db2.gz RQYMPLWQZYSLDG-DEOSSOPVSA-N 0 1 464.997 5.980 50 30 JKEAMN N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NC[C@@H](c1ccco1)N1CCCC1 ZINC000035671609 569706276 /nfs/dbraw/zinc/70/62/76/569706276.db2.gz RTZBJTJNSYRMJN-DEOSSOPVSA-N 0 1 488.975 6.288 50 30 JKEAMN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000094979092 569721470 /nfs/dbraw/zinc/72/14/70/569721470.db2.gz YPJIXVIHRPTUOE-VWLOTQADSA-N 0 1 491.563 5.116 50 30 JKEAMN Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000094979089 569721490 /nfs/dbraw/zinc/72/14/90/569721490.db2.gz OYMKDKUQBVCKNH-RUZDIDTESA-N 0 1 457.574 5.292 50 30 JKEAMN Cc1ccc(C)c(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000094979090 569721505 /nfs/dbraw/zinc/72/15/05/569721505.db2.gz OYMKDKUQBVCKNH-VWLOTQADSA-N 0 1 457.574 5.292 50 30 JKEAMN C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1 ZINC000096116075 569735044 /nfs/dbraw/zinc/73/50/44/569735044.db2.gz IPCSEALPJKCQLB-UHFFFAOYSA-N 0 1 485.540 6.162 50 30 biogenic JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@H]2c2ccc(Cl)cc2)no1 ZINC000096193764 569737314 /nfs/dbraw/zinc/73/73/14/569737314.db2.gz SFNKDUDYEHSRFG-HXUWFJFHSA-N 0 1 491.956 5.851 50 30 JKEAMN CCCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S/C1=N/c1ccc(OC)cc1 ZINC000097466914 569745259 /nfs/dbraw/zinc/74/52/59/569745259.db2.gz RBCDLZMVOOCHAV-PQUPTFKKSA-N 0 1 481.799 5.831 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000097959798 569747916 /nfs/dbraw/zinc/74/79/16/569747916.db2.gz CEIRCTSHIUOINC-GQUZIAHASA-N 0 1 465.663 6.323 50 30 JKEAMN CCCCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1 ZINC000097959804 569747929 /nfs/dbraw/zinc/74/79/29/569747929.db2.gz CBFIIRXKVHEIAF-SDGJFRJFSA-N 0 1 467.635 5.599 50 30 JKEAMN CCCCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1 ZINC000097959803 569747959 /nfs/dbraw/zinc/74/79/59/569747959.db2.gz CBFIIRXKVHEIAF-JNPOWPEBSA-N 0 1 467.635 5.599 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000097959797 569747975 /nfs/dbraw/zinc/74/79/75/569747975.db2.gz CEIRCTSHIUOINC-DYMLFOFBSA-N 0 1 465.663 6.323 50 30 JKEAMN CCCCCCC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000098048792 569749928 /nfs/dbraw/zinc/74/99/28/569749928.db2.gz HGMJBYWICKBNLM-IOWSJCHKSA-N 0 1 481.721 6.776 50 30 JKEAMN CCCCCCC[C@](O)(c1ccc(OCCC(C)C)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000098048795 569750034 /nfs/dbraw/zinc/75/00/34/569750034.db2.gz HGMJBYWICKBNLM-JSOSNVBQSA-N 0 1 481.721 6.776 50 30 JKEAMN O=C(Nc1ccc(/N=C/c2cc(Br)cc(Cl)c2O)cc1)c1cc2ccccc2o1 ZINC000098087273 569750634 /nfs/dbraw/zinc/75/06/34/569750634.db2.gz KQKLKVGCFHOOCP-BRJLIKDPSA-N 0 1 469.722 6.557 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316493 569762963 /nfs/dbraw/zinc/76/29/63/569762963.db2.gz FZTLDFUKPGVRFJ-HSZRJFAPSA-N 0 1 479.596 5.142 50 30 JKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036316476 569763044 /nfs/dbraw/zinc/76/30/44/569763044.db2.gz PMNRLCRMKBHIGR-QFIPXVFZSA-N 0 1 467.585 5.142 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036316473 569763102 /nfs/dbraw/zinc/76/31/02/569763102.db2.gz SEZOTZIIFBDAHH-QFIPXVFZSA-N 0 1 451.586 5.905 50 30 JKEAMN C=CCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340318 569763744 /nfs/dbraw/zinc/76/37/44/569763744.db2.gz NAVPXOBXKDHLSO-HHHXNRCGSA-N 0 1 470.661 5.109 50 30 JKEAMN CCc1cccc([C@@H](C)CC)c1NC(=O)C(C(C)=O)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000100721915 569767753 /nfs/dbraw/zinc/76/77/53/569767753.db2.gz NGYBPWUWCBBVPM-XOBRGWDASA-N 0 1 451.950 5.478 50 30 JKEAMN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000100773428 569769597 /nfs/dbraw/zinc/76/95/97/569769597.db2.gz FUXWSEUPHKCISH-CEUZYJICSA-N 0 1 469.488 5.870 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346473 569769908 /nfs/dbraw/zinc/76/99/08/569769908.db2.gz OXFPMJSXIVLJHS-DEOSSOPVSA-N 0 1 493.648 5.571 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346474 569769967 /nfs/dbraw/zinc/76/99/67/569769967.db2.gz OXFPMJSXIVLJHS-XMMPIXPASA-N 0 1 493.648 5.571 50 30 JKEAMN C=CCC[C@@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346727 569770660 /nfs/dbraw/zinc/77/06/60/569770660.db2.gz GIMZUJFJBDHHKQ-HSZRJFAPSA-N 0 1 453.533 5.543 50 30 JKEAMN CCCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000100821862 569771461 /nfs/dbraw/zinc/77/14/61/569771461.db2.gz LIVBQOMIENMBJZ-UHFFFAOYSA-N 0 1 488.562 5.968 50 30 JKEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3cc(C)ccc3C)C(=O)c3ccccc32)cc1 ZINC000100822315 569771614 /nfs/dbraw/zinc/77/16/14/569771614.db2.gz IESRZFXQPKDBKY-COOPMVRXSA-N 0 1 460.555 5.072 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1I ZINC000101055335 569780633 /nfs/dbraw/zinc/78/06/33/569780633.db2.gz DXHWGJKBQTUTCN-REZTVBANSA-N 0 1 480.925 5.272 50 30 JKEAMN O=C1CN2c3sc4c(c3C(=O)NC2=C1c1nc(-c2ccc(Br)cc2)cs1)CCCC4 ZINC000101062422 569780789 /nfs/dbraw/zinc/78/07/89/569780789.db2.gz YDWZCCRIZNXCAZ-UHFFFAOYSA-N 0 1 498.427 5.014 50 30 JKEAMN O=c1[nH]c2c(-c3nc(-c4ccc(Br)cc4)cs3)c(O)cn2c2sc3c(c21)CCCC3 ZINC000101062422 569780790 /nfs/dbraw/zinc/78/07/90/569780790.db2.gz YDWZCCRIZNXCAZ-UHFFFAOYSA-N 0 1 498.427 5.014 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Br)cc2)sc1C ZINC000101069995 569781071 /nfs/dbraw/zinc/78/10/71/569781071.db2.gz PDIDYEXYURGWFM-UYTDBDHRSA-N 0 1 475.389 5.210 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101069804 569781116 /nfs/dbraw/zinc/78/11/16/569781116.db2.gz KZBIZKZWGMAARX-YDJIHCHBSA-N 0 1 486.724 5.868 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)no1 ZINC000101072970 569781376 /nfs/dbraw/zinc/78/13/76/569781376.db2.gz DWNDGPYZIOCTJP-YDJIHCHBSA-N 0 1 479.286 5.118 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000101100197 569782717 /nfs/dbraw/zinc/78/27/17/569782717.db2.gz OSDSMGHRJUEMTM-GHNGSUTGSA-N 0 1 473.710 5.025 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000101287261 569789348 /nfs/dbraw/zinc/78/93/48/569789348.db2.gz DZNLHDDNFSXSSJ-CJJGVWJISA-N 0 1 485.584 5.083 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000101287784 569789699 /nfs/dbraw/zinc/78/96/99/569789699.db2.gz GOEYGMFZKAXBHJ-WOOAAIBNSA-N 0 1 497.370 5.097 50 30 JKEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000101294168 569789969 /nfs/dbraw/zinc/78/99/69/569789969.db2.gz PLMYKNHIFPIPSS-FGEDTZIGSA-N 0 1 495.575 5.239 50 30 JKEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000101294170 569789988 /nfs/dbraw/zinc/78/99/88/569789988.db2.gz PLMYKNHIFPIPSS-YREDKMEYSA-N 0 1 495.575 5.239 50 30 JKEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294476 569790105 /nfs/dbraw/zinc/79/01/05/569790105.db2.gz XNYJHIDKSMVMRK-ZHHPLPSFSA-N 0 1 486.549 5.643 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000101313621 569792228 /nfs/dbraw/zinc/79/22/28/569792228.db2.gz MDMPZMATCVIYMW-YREDKMEYSA-N 0 1 495.575 5.239 50 30 JKEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102169737 569810587 /nfs/dbraw/zinc/81/05/87/569810587.db2.gz OUHVLFFLVJZTRA-MOBKVPTQSA-N 0 1 491.415 5.012 50 30 JKEAMN O=c1[nH]c2c(-c3nc(-c4ccc(F)cc4)cs3)c(O)cn2c2scc(-c3ccccc3)c21 ZINC000102325790 569812429 /nfs/dbraw/zinc/81/24/29/569812429.db2.gz HGFAXBVHQJJBTB-UHFFFAOYSA-N 0 1 459.527 5.179 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102856634 569824511 /nfs/dbraw/zinc/82/45/11/569824511.db2.gz GSLRLYVRLARILY-MOBKVPTQSA-N 0 1 466.921 5.442 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000102857082 569824595 /nfs/dbraw/zinc/82/45/95/569824595.db2.gz CNZYHNZFJCYFSU-HOGKFDNTSA-N 0 1 490.968 5.975 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102856676 569824634 /nfs/dbraw/zinc/82/46/34/569824634.db2.gz KIRMDESYXJYTJF-LFVOPCPISA-N 0 1 477.523 5.201 50 30 JKEAMN O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000102862745 569825196 /nfs/dbraw/zinc/82/51/96/569825196.db2.gz XSNVSQMCSWMBSA-NHFXJNLRSA-N 0 1 493.447 5.109 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000102862745 569825199 /nfs/dbraw/zinc/82/51/99/569825199.db2.gz XSNVSQMCSWMBSA-NHFXJNLRSA-N 0 1 493.447 5.109 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102873161 569825893 /nfs/dbraw/zinc/82/58/93/569825893.db2.gz VAASGYQMOOVWJW-WOOAAIBNSA-N 0 1 472.925 5.187 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102876043 569826447 /nfs/dbraw/zinc/82/64/47/569826447.db2.gz BZEVNNFCKFMRSS-FZIYRNTBSA-N 0 1 499.563 5.039 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875988 569826470 /nfs/dbraw/zinc/82/64/70/569826470.db2.gz CGLHVZYKRDVNFK-WOOAAIBNSA-N 0 1 469.722 5.124 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000102928239 569827112 /nfs/dbraw/zinc/82/71/12/569827112.db2.gz PHVFHRDYEXTVTE-YDJIHCHBSA-N 0 1 480.542 5.522 50 30 JKEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102928263 569827149 /nfs/dbraw/zinc/82/71/49/569827149.db2.gz NCAUUKMCGYIGRE-JBCNATCCSA-N 0 1 494.931 5.724 50 30 JKEAMN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102928422 569827228 /nfs/dbraw/zinc/82/72/28/569827228.db2.gz FQFMTZPQVIUQTR-HUPAGYGUSA-N 0 1 493.600 5.037 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102929191 569827676 /nfs/dbraw/zinc/82/76/76/569827676.db2.gz NPNKJQSUSQIDQV-SBXHHDGASA-N 0 1 477.944 5.591 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102929192 569827688 /nfs/dbraw/zinc/82/76/88/569827688.db2.gz NPNKJQSUSQIDQV-NXLSWJSLSA-N 0 1 477.944 5.591 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929986 569828078 /nfs/dbraw/zinc/82/80/78/569828078.db2.gz XGXZLZCGDGDMAQ-WOOAAIBNSA-N 0 1 494.569 5.145 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000102930773 569828229 /nfs/dbraw/zinc/82/82/29/569828229.db2.gz DXYHZMKXNWWEBT-YDJIHCHBSA-N 0 1 466.440 5.340 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000102931229 569828453 /nfs/dbraw/zinc/82/84/53/569828453.db2.gz BUDHECPAZSDKEI-MOBKVPTQSA-N 0 1 493.357 5.259 50 30 JKEAMN COc1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102931587 569828459 /nfs/dbraw/zinc/82/84/59/569828459.db2.gz GBUYBVSYEODCHW-NXLSWJSLSA-N 0 1 494.519 5.182 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102931714 569828616 /nfs/dbraw/zinc/82/86/16/569828616.db2.gz YFMXUHMWRLITEH-SBXHHDGASA-N 0 1 494.519 5.326 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000102933256 569829027 /nfs/dbraw/zinc/82/90/27/569829027.db2.gz LPCIEZPOZKOLHI-YDJIHCHBSA-N 0 1 493.447 5.109 50 30 JKEAMN CCCCCCCCC(=O)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C1CC1 ZINC000102995590 569830909 /nfs/dbraw/zinc/83/09/09/569830909.db2.gz BVHKPFALAKCFIT-UHFFFAOYSA-N 0 1 497.703 5.703 50 30 JKEAMN Cc1ccc(S(=O)(=O)N=C2CC(=Nc3cccc4ccccc43)C(=O)c3ccccc32)c(C)c1 ZINC000103321177 569834562 /nfs/dbraw/zinc/83/45/62/569834562.db2.gz AZZIOWWPTZKZJA-JVCXMKTPSA-N 0 1 466.562 5.827 50 30 JKEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(C)cc3C)C(=O)c3ccccc32)cc1 ZINC000103746254 569837680 /nfs/dbraw/zinc/83/76/80/569837680.db2.gz QFQDDSCRIXMYNE-ZZIIXHQDSA-N 0 1 460.555 5.072 50 30 JKEAMN O=c1nc(Nc2ccccc2)ccn1C(/N=C(\Cl)c1ccccc1)C(Cl)(Cl)Cl ZINC000103751527 569837772 /nfs/dbraw/zinc/83/77/72/569837772.db2.gz OWWPVCCHSWEGEZ-LYVYQLNUSA-N 0 1 456.160 5.541 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(Cl)cc3)cnn1[C@@H]2c1ccccc1Cl ZINC000044858979 569839495 /nfs/dbraw/zinc/83/94/95/569839495.db2.gz CWXCUARECNKLHB-JOCHJYFZSA-N 0 1 481.383 6.100 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104105132 569841116 /nfs/dbraw/zinc/84/11/16/569841116.db2.gz LFYLSCXJLMIIKK-MRJHHRETSA-N 0 1 482.414 5.548 50 30 JKEAMN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000104134779 569841861 /nfs/dbraw/zinc/84/18/61/569841861.db2.gz DELCMMPIHZCZIX-MOBKVPTQSA-N 0 1 476.872 5.077 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O ZINC000051366981 569852339 /nfs/dbraw/zinc/85/23/39/569852339.db2.gz UERXLIRAJGJPEI-IZNZCJHFSA-N 0 1 488.451 5.790 50 30 JKEAMN CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1 ZINC000217985391 569882342 /nfs/dbraw/zinc/88/23/42/569882342.db2.gz GPNCDDVOLYEKCS-OAQYLSRUSA-N 0 1 492.568 6.190 50 30 biogenic JKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)c1ccnc2ccccc21 ZINC000245253549 570059576 /nfs/dbraw/zinc/05/95/76/570059576.db2.gz HBUSAPPKXSJFPL-FKECOHNISA-N 0 1 482.668 6.718 50 30 JKEAMN Oc1c(I)cc(I)cc1C=Nc1ccc2ccccc2c1 ZINC000252593883 570084293 /nfs/dbraw/zinc/08/42/93/570084293.db2.gz BNXBBUPWWYRKNS-UHFFFAOYSA-N 0 1 499.089 5.505 50 30 JKEAMN Br/C(C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000252429379 570080401 /nfs/dbraw/zinc/08/04/01/570080401.db2.gz ISGBSPLELUKAAH-FFROYRAFSA-N 0 1 458.403 5.796 50 30 JKEAMN Cc1cc(C)cc(-c2nc3cc(N=Cc4cc(Br)cc(Cl)c4O)ccc3o2)c1 ZINC000252595800 570084532 /nfs/dbraw/zinc/08/45/32/570084532.db2.gz CDRURIKHPFZRBT-UHFFFAOYSA-N 0 1 455.739 6.984 50 30 JKEAMN Cc1ccc(C)c(N=C2S/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)N2c2cc(C)ccc2C)c1 ZINC000252610032 570085964 /nfs/dbraw/zinc/08/59/64/570085964.db2.gz HYFACHLFILXJAF-JXGGTYHWSA-N 0 1 497.447 7.741 50 30 JKEAMN Cc1ccc(C)c(N=C2S/C(=C\c3cc(Cl)cc(Cl)c3O)C(=O)N2c2cc(C)ccc2C)c1 ZINC000252610031 570085987 /nfs/dbraw/zinc/08/59/87/570085987.db2.gz HYFACHLFILXJAF-BNQJDPEQSA-N 0 1 497.447 7.741 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000252615825 570086578 /nfs/dbraw/zinc/08/65/78/570086578.db2.gz JVMJCDGFPZDTSQ-UHFFFAOYSA-N 0 1 490.126 6.615 50 30 JKEAMN O=C(Nc1sc2c(c1C=NN=c1nc[nH]c3sc4c(c31)CCC4)CCCC2)c1ccccc1 ZINC000252616833 570086648 /nfs/dbraw/zinc/08/66/48/570086648.db2.gz KGLAIGYJXJKRKD-UHFFFAOYSA-N 0 1 473.627 5.819 50 30 JKEAMN O=C(Nc1sc2c(c1C=NNc1ncnc3sc4c(c31)CCC4)CCCC2)c1ccccc1 ZINC000252616833 570086650 /nfs/dbraw/zinc/08/66/50/570086650.db2.gz KGLAIGYJXJKRKD-UHFFFAOYSA-N 0 1 473.627 5.819 50 30 JKEAMN CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252629421 570089067 /nfs/dbraw/zinc/08/90/67/570089067.db2.gz UFMMKIVYRQIHPL-JERZPRFUSA-N 0 1 451.375 6.112 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 ZINC000252632383 570089526 /nfs/dbraw/zinc/08/95/26/570089526.db2.gz VSKKZMGXAGCJLP-UHFFFAOYSA-N 0 1 460.666 7.914 50 30 JKEAMN O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000328579190 570178997 /nfs/dbraw/zinc/17/89/97/570178997.db2.gz ZRMOLYJSIYXENM-UHFFFAOYSA-N 0 1 492.522 5.127 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000001161458 194054925 /nfs/dbraw/zinc/05/49/25/194054925.db2.gz RXLZMHCAOPJTKU-OAQYLSRUSA-N 0 1 469.324 5.176 50 30 JKEAMN Cc1ccccc1-c1nc2cc(/N=C/c3c(C)c(Cl)c(C)c(Br)c3O)ccc2o1 ZINC000003068534 194223993 /nfs/dbraw/zinc/22/39/93/194223993.db2.gz OKCZNXYFJCUUHP-KBKYJPHKSA-N 0 1 469.766 7.292 50 30 JKEAMN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Cl)cc(I)c4O)c3)nc2c1 ZINC000003049997 194218702 /nfs/dbraw/zinc/21/87/02/194218702.db2.gz BFLTWJXYYONXNQ-BHGWPJFGSA-N 0 1 488.712 6.517 50 30 JKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000003114664 194227510 /nfs/dbraw/zinc/22/75/10/194227510.db2.gz WRWUNUXAFSDRBH-YSURURNPSA-N 0 1 462.130 7.020 50 30 JKEAMN Cc1ccc2oc(-c3cccc(/N=C/c4c(C)c(Cl)c(C)c(Br)c4O)c3)nc2c1 ZINC000003114124 194227548 /nfs/dbraw/zinc/22/75/48/194227548.db2.gz GWTCIBWDUIPDCJ-KBKYJPHKSA-N 0 1 469.766 7.292 50 30 JKEAMN O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1)Nc1ccccc1 ZINC000003663361 194355919 /nfs/dbraw/zinc/35/59/19/194355919.db2.gz PQBXPFKXMBWMOW-OPEKNORGSA-N 0 1 488.421 6.790 50 30 JKEAMN O=C(CSc1nc2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2s1)NC1CCCCC1 ZINC000003664008 194356126 /nfs/dbraw/zinc/35/61/26/194356126.db2.gz AVVHWZZTJCTDKR-OPEKNORGSA-N 0 1 494.469 6.600 50 30 JKEAMN FC(F)(F)c1cnc(NNC(=S)Nc2ccccc2SC(F)(F)C(F)(F)F)c(Cl)c1 ZINC000003771036 194361170 /nfs/dbraw/zinc/36/11/70/194361170.db2.gz ZCIWXDFKSGXYLQ-UHFFFAOYSA-N 0 1 496.836 6.315 50 30 JKEAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)Cc4cccs4)[C@@H]3c3ccco3)C2)cc1 ZINC000004501730 194391263 /nfs/dbraw/zinc/39/12/63/194391263.db2.gz RNTCDTVJDIWCCC-IIMAJNMQSA-N 0 1 494.616 6.793 50 30 JKEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCCC)cc1 ZINC000012614272 195054601 /nfs/dbraw/zinc/05/46/01/195054601.db2.gz KGPJPSFKRLDWSP-SANMLTNESA-N 0 1 486.572 5.075 50 30 JKEAMN COc1ccc(CCN2C(=O)C(=O)C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012641691 195071476 /nfs/dbraw/zinc/07/14/76/195071476.db2.gz QWAMNCVAANZPLI-NRFANRHFSA-N 0 1 453.947 5.231 50 30 JKEAMN COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2ccccc2OC)cc1 ZINC000012652196 195076362 /nfs/dbraw/zinc/07/63/62/195076362.db2.gz OHLFTUPCRKSWPZ-HHHXNRCGSA-N 0 1 454.526 5.525 50 30 JKEAMN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1 ZINC000012652360 195076671 /nfs/dbraw/zinc/07/66/71/195076671.db2.gz QBNYWBCBRIYEDY-WRONEBCDSA-N 0 1 480.589 6.484 50 30 JKEAMN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccccc1 ZINC000012652364 195076718 /nfs/dbraw/zinc/07/67/18/195076718.db2.gz QBNYWBCBRIYEDY-AFJIDDCJSA-N 0 1 480.589 6.484 50 30 JKEAMN COc1ccc(CN2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@H]2c2ccccc2)cc1 ZINC000012652372 195076804 /nfs/dbraw/zinc/07/68/04/195076804.db2.gz IVLKWMOZVCUMGY-SLGOVJDISA-N 0 1 476.576 6.862 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000012652303 195076808 /nfs/dbraw/zinc/07/68/08/195076808.db2.gz NMCGRKVSDVXERR-WXTAPIANSA-N 0 1 475.976 6.427 50 30 JKEAMN Cc1cccc(C(C)C)c1NC(=O)C(=O)[C@@H](C(=O)C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102299951 130118920 /nfs/dbraw/zinc/11/89/20/130118920.db2.gz PFTXEIWGBUZSCG-ODOYXVBQSA-N 0 1 481.548 5.436 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102368636 130122111 /nfs/dbraw/zinc/12/21/11/130122111.db2.gz ZSTWTLZVWMVKNI-CZNAVJSXSA-N 0 1 487.600 5.306 50 30 JKEAMN Cc1cc(/N=C/c2cc(Br)cc(Br)c2O)ccc1NC(=O)c1ccco1 ZINC000102413403 130128427 /nfs/dbraw/zinc/12/84/27/130128427.db2.gz QHVIRTWBOJFUGE-LSHDLFTRSA-N 0 1 478.140 5.822 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102485464 130139559 /nfs/dbraw/zinc/13/95/59/130139559.db2.gz KYAYDOPDIVHTRA-JBCNATCCSA-N 0 1 462.477 5.509 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102499112 130153089 /nfs/dbraw/zinc/15/30/89/130153089.db2.gz REOLICKNHBERAG-MRJHHRETSA-N 0 1 489.484 5.278 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102504733 130158947 /nfs/dbraw/zinc/15/89/47/130158947.db2.gz MUCIYVKYLQZJSP-JBCNATCCSA-N 0 1 478.932 6.024 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102504723 130159067 /nfs/dbraw/zinc/15/90/67/130159067.db2.gz MUCIYVKYLQZJSP-MRJHHRETSA-N 0 1 478.932 6.024 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C ZINC000102505942 130160395 /nfs/dbraw/zinc/16/03/95/130160395.db2.gz XCYCFFFOKUXLMK-AYWGPLOBSA-N 0 1 462.571 5.252 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Cl)cc1 ZINC000102513383 130167223 /nfs/dbraw/zinc/16/72/23/130167223.db2.gz QGPZGHAFCJGCGE-SELCWUDQSA-N 0 1 470.934 5.777 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102515589 130169007 /nfs/dbraw/zinc/16/90/07/130169007.db2.gz SZOLTAKFOSQKLT-ZLYDLHQSSA-N 0 1 483.564 5.421 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Br)cc2)sc1C ZINC000102516608 130170007 /nfs/dbraw/zinc/17/00/07/130170007.db2.gz JXOTWYLBYVOWAX-GHNGSUTGSA-N 0 1 487.350 5.288 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102518112 130171282 /nfs/dbraw/zinc/17/12/82/130171282.db2.gz ZTFXXZRHKUSGBO-WOOAAIBNSA-N 0 1 482.970 5.646 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3F)sc2c1 ZINC000102525014 130177542 /nfs/dbraw/zinc/17/75/42/130177542.db2.gz KTRHHGCCCJJKQN-JBCNATCCSA-N 0 1 462.477 5.509 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2cccc(Cl)c2)o1 ZINC000102529290 130182263 /nfs/dbraw/zinc/18/22/63/130182263.db2.gz CWZULXFISJZUDS-OBVHCKHUSA-N 0 1 478.957 6.094 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000102531664 130184939 /nfs/dbraw/zinc/18/49/39/130184939.db2.gz NJJYBCPBNXWNFW-GHNGSUTGSA-N 0 1 459.354 5.693 50 30 JKEAMN 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C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102642218 130229037 /nfs/dbraw/zinc/22/90/37/130229037.db2.gz FSGHOVKPKGDCEA-YREDKMEYSA-N 0 1 495.619 5.972 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102647739 130230396 /nfs/dbraw/zinc/23/03/96/130230396.db2.gz HMYUUOGIGAUVKA-PLWHFILJSA-N 0 1 487.552 5.404 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102649449 130230786 /nfs/dbraw/zinc/23/07/86/130230786.db2.gz ZJMSHVHMDYRTGP-LFVOPCPISA-N 0 1 469.722 5.124 50 30 JKEAMN CCOc1ccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102653572 130232883 /nfs/dbraw/zinc/23/28/83/130232883.db2.gz ROOOSQWMNHPJCA-MEBZQPDRSA-N 0 1 455.510 5.276 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102667038 130235044 /nfs/dbraw/zinc/23/50/44/130235044.db2.gz UTHNNXRLJCRVLR-LDQGIYSBSA-N 0 1 487.364 5.400 50 30 JKEAMN 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O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1F ZINC000102858097 130328308 /nfs/dbraw/zinc/32/83/08/130328308.db2.gz AZWWSIHWLUIULZ-SELCWUDQSA-N 0 1 454.479 5.262 50 30 JKEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccccc1 ZINC000102865886 130338919 /nfs/dbraw/zinc/33/89/19/130338919.db2.gz DLWGMUGENFUQFV-LFVOPCPISA-N 0 1 475.551 5.050 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102874254 130346346 /nfs/dbraw/zinc/34/63/46/130346346.db2.gz ZTKVLCNNBPWNMW-JBCNATCCSA-N 0 1 478.932 6.024 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102875114 130346949 /nfs/dbraw/zinc/34/69/49/130346949.db2.gz GUMDYGNFEXRUFS-HOGKFDNTSA-N 0 1 464.880 5.064 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102875118 130347002 /nfs/dbraw/zinc/34/70/02/130347002.db2.gz GUMDYGNFEXRUFS-MOBKVPTQSA-N 0 1 464.880 5.064 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102877201 130350426 /nfs/dbraw/zinc/35/04/26/130350426.db2.gz IKQCOYSTRPMRQZ-LFVOPCPISA-N 0 1 489.380 5.702 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102878090 130352011 /nfs/dbraw/zinc/35/20/11/130352011.db2.gz KMSGZQHJVQCIMT-SBXHHDGASA-N 0 1 486.911 6.055 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102878679 130352738 /nfs/dbraw/zinc/35/27/38/130352738.db2.gz MQSXABFXMAKNNC-JBCNATCCSA-N 0 1 478.501 5.444 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000102882240 130360321 /nfs/dbraw/zinc/36/03/21/130360321.db2.gz CRAWBKBWDGABRZ-YDJIHCHBSA-N 0 1 455.297 5.023 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000102883210 130363089 /nfs/dbraw/zinc/36/30/89/130363089.db2.gz HESNBPRHRIOUMP-NHFXJNLRSA-N 0 1 466.440 5.340 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000102884048 130365149 /nfs/dbraw/zinc/36/51/49/130365149.db2.gz XWWPDYCFBGUWEO-NHFXJNLRSA-N 0 1 466.440 5.340 50 30 JKEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2Cl)ccc1OC(C)C ZINC000102892530 130374854 /nfs/dbraw/zinc/37/48/54/130374854.db2.gz YGXKPDCMHBADGX-HOGKFDNTSA-N 0 1 491.415 5.072 50 30 JKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000102896386 130377951 /nfs/dbraw/zinc/37/79/51/130377951.db2.gz KICGFZQYNWRKTI-JLPDLQRYSA-N 0 1 498.579 5.206 50 30 JKEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@@H]1c1ccccc1 ZINC000102897303 130379906 /nfs/dbraw/zinc/37/99/06/130379906.db2.gz FLBOYHDFSBFNCK-LFVOPCPISA-N 0 1 493.541 5.189 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102924892 130395143 /nfs/dbraw/zinc/39/51/43/130395143.db2.gz NRIIQRVWEVNAGM-JBCNATCCSA-N 0 1 494.931 5.724 50 30 JKEAMN 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CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3OC)sc2c1 ZINC000102519014 535442538 /nfs/dbraw/zinc/44/25/38/535442538.db2.gz VIHGQKOXRFBNMP-MOBKVPTQSA-N 0 1 490.537 5.231 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102509596 535442574 /nfs/dbraw/zinc/44/25/74/535442574.db2.gz QSEMUEWIVXAXPX-YDJIHCHBSA-N 0 1 480.929 5.568 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102500660 535442697 /nfs/dbraw/zinc/44/26/97/535442697.db2.gz UHMWXDXZZPKRCO-MRJHHRETSA-N 0 1 478.501 5.362 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3F)sc2c1 ZINC000102482834 535443047 /nfs/dbraw/zinc/44/30/47/535443047.db2.gz JMFQNQWTLJWBTP-YDJIHCHBSA-N 0 1 464.474 5.053 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102735514 535827989 /nfs/dbraw/zinc/82/79/89/535827989.db2.gz LDLXJWGSSYBZGH-MRJHHRETSA-N 0 1 462.502 5.526 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102706025 535829566 /nfs/dbraw/zinc/82/95/66/535829566.db2.gz ASDWWGLVEBJABA-HOGKFDNTSA-N 0 1 476.504 5.763 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102715698 535830826 /nfs/dbraw/zinc/83/08/26/535830826.db2.gz RLUOJFZUIOAZFW-JBCNATCCSA-N 0 1 489.509 5.295 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccccc1 ZINC000102716131 536539459 /nfs/dbraw/zinc/53/94/59/536539459.db2.gz MUFGSHMRGMZPPH-CZNAVJSXSA-N 0 1 471.553 5.032 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000102857426 536568907 /nfs/dbraw/zinc/56/89/07/536568907.db2.gz IGIHJFLUFJBIBE-JBCNATCCSA-N 0 1 494.931 5.724 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000102502991 536569512 /nfs/dbraw/zinc/56/95/12/536569512.db2.gz BIRDXHOBDPDITQ-MOBKVPTQSA-N 0 1 490.512 5.079 50 30 JKEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102731018 536854518 /nfs/dbraw/zinc/85/45/18/536854518.db2.gz HXGXDFHYGUWZDJ-DFXXOVSGSA-N 0 1 499.607 5.766 50 30 JKEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000102803533 537073986 /nfs/dbraw/zinc/07/39/86/537073986.db2.gz NZMUYFQPZHQUEY-NHFXJNLRSA-N 0 1 455.297 5.023 50 30 JKEAMN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccccc4)n[nH]3)sc2C1 ZINC000000638239 553722388 /nfs/dbraw/zinc/72/23/88/553722388.db2.gz XVXYVIDFGOOQMX-OAHLLOKOSA-N 0 1 451.621 5.287 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000654590 553735328 /nfs/dbraw/zinc/73/53/28/553735328.db2.gz NHGGMQREABJAAP-MMTVBGGISA-N 0 1 467.525 5.905 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000654593 553735347 /nfs/dbraw/zinc/73/53/47/553735347.db2.gz NHGGMQREABJAAP-PIIWDFAUSA-N 0 1 467.525 5.905 50 30 JKEAMN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H]1c3ccccc3C(=O)N21 ZINC000000659879 553738826 /nfs/dbraw/zinc/73/88/26/553738826.db2.gz LPSMDXAEZSJUBA-IPBJYNAHSA-N 0 1 496.566 6.445 50 30 JKEAMN O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H]1c3ccccc3C(=O)N21 ZINC000000659883 553738828 /nfs/dbraw/zinc/73/88/28/553738828.db2.gz LPSMDXAEZSJUBA-SLGOVJDISA-N 0 1 496.566 6.445 50 30 JKEAMN CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)ccc1O ZINC000000672499 553746225 /nfs/dbraw/zinc/74/62/25/553746225.db2.gz CUSJKXZGIWEQRB-JOCHJYFZSA-N 0 1 474.479 5.496 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000702700 553761295 /nfs/dbraw/zinc/76/12/95/553761295.db2.gz WNXKQAZEMSSVQY-AOYPEHQESA-N 0 1 469.537 5.545 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000702702 553761669 /nfs/dbraw/zinc/76/16/69/553761669.db2.gz WNXKQAZEMSSVQY-AZGAKELHSA-N 0 1 469.537 5.545 50 30 JKEAMN 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Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)no1 ZINC000008827778 554717762 /nfs/dbraw/zinc/71/77/62/554717762.db2.gz HCGAVPSFKRXFFM-FQEVSTJZSA-N 0 1 479.286 5.275 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(-c2cn3ccccc3n2)cc1 ZINC000008834472 554732428 /nfs/dbraw/zinc/73/24/28/554732428.db2.gz LHRGEUBYWYMECK-FOKLQQMPSA-N 0 1 471.152 5.983 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008836044 554735664 /nfs/dbraw/zinc/73/56/64/554735664.db2.gz VWYYSUICMCMCEK-IBGZPJMESA-N 0 1 450.516 5.588 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008836571 554736693 /nfs/dbraw/zinc/73/66/93/554736693.db2.gz KLTYYCFISGDLFK-JOCHJYFZSA-N 0 1 483.351 5.484 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008837951 554739145 /nfs/dbraw/zinc/73/91/45/554739145.db2.gz WNXCFQRAKHJHOY-IBGZPJMESA-N 0 1 450.516 5.588 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000008846344 554744695 /nfs/dbraw/zinc/74/46/95/554744695.db2.gz DPTZNFDKZZJSQT-CHJDUVSTSA-N 0 1 468.597 7.069 50 30 JKEAMN Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(O)c2)cc1Br ZINC000008846475 554745114 /nfs/dbraw/zinc/74/51/14/554745114.db2.gz PRZODZPINUTKNJ-NRFANRHFSA-N 0 1 498.760 5.899 50 30 JKEAMN O=C1c2ccccc2C(=O)C(N2CCC(c3cc(-c4ccc(Cl)cc4)[nH]n3)CC2)=C1Cl ZINC000008855416 554751005 /nfs/dbraw/zinc/75/10/05/554751005.db2.gz UYISFUVLYQSVAN-UHFFFAOYSA-N 0 1 452.341 5.439 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008860015 554756582 /nfs/dbraw/zinc/75/65/82/554756582.db2.gz VUBJZWGPMKXCRA-HSZRJFAPSA-N 0 1 462.933 5.302 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(Br)cc2)no1 ZINC000008861980 554759291 /nfs/dbraw/zinc/75/92/91/554759291.db2.gz XLMXTRXHLIKQFN-HXUWFJFHSA-N 0 1 479.286 5.275 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)n1 ZINC000008872127 554768354 /nfs/dbraw/zinc/76/83/54/554768354.db2.gz RXUIKDWUJMUPLE-BRJLIKDPSA-N 0 1 476.343 5.203 50 30 JKEAMN Clc1cccc(Cl)c1C=NN=c1nc(Nc2ccc3ccccc3c2)[nH]c(N2CCOCC2)n1 ZINC000008872916 554769737 /nfs/dbraw/zinc/76/97/37/554769737.db2.gz OYNMFGMMDALJAO-DICXZTSXSA-N 0 1 494.386 5.358 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008894847 554784263 /nfs/dbraw/zinc/78/42/63/554784263.db2.gz ONQOPHWYYIVZAT-NRFANRHFSA-N 0 1 495.329 5.093 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008894844 554784289 /nfs/dbraw/zinc/78/42/89/554784289.db2.gz ONQOPHWYYIVZAT-OAQYLSRUSA-N 0 1 495.329 5.093 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008896042 554785374 /nfs/dbraw/zinc/78/53/74/554785374.db2.gz BUHSXWIPJPMECB-OAQYLSRUSA-N 0 1 497.345 5.317 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008896772 554786841 /nfs/dbraw/zinc/78/68/41/554786841.db2.gz CJLSZWAQOKMXRY-JOCHJYFZSA-N 0 1 493.357 5.414 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000008900629 554793355 /nfs/dbraw/zinc/79/33/55/554793355.db2.gz KMEDKXMWOJMEGZ-SFHVURJKSA-N 0 1 477.344 5.989 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000008904823 554799192 /nfs/dbraw/zinc/79/91/92/554799192.db2.gz FEZSKTJAKVABSS-INIZCTEOSA-N 0 1 475.751 5.342 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccco3)sc2c1 ZINC000008913968 554807149 /nfs/dbraw/zinc/80/71/49/554807149.db2.gz GUWPCCKJVCEIQG-FQEVSTJZSA-N 0 1 464.930 5.888 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000008921485 554818433 /nfs/dbraw/zinc/81/84/33/554818433.db2.gz HHTWFBDPKGSUDI-QFIPXVFZSA-N 0 1 464.880 5.220 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008934705 554829243 /nfs/dbraw/zinc/82/92/43/554829243.db2.gz OTEBIGSETVLMLG-SANMLTNESA-N 0 1 499.611 5.414 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2cccnc2)cc1 ZINC000008964787 554838785 /nfs/dbraw/zinc/83/87/85/554838785.db2.gz UMIGXZBJCSTTLB-YKGWIAGDSA-N 0 1 481.596 6.037 50 30 biogenic JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000008968718 554843000 /nfs/dbraw/zinc/84/30/00/554843000.db2.gz KJPJDPGDOUVKQM-KCWXNJEJSA-N 0 1 454.545 6.445 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008973558 554844448 /nfs/dbraw/zinc/84/44/48/554844448.db2.gz MGKIXJCGVXOGEI-IBGZPJMESA-N 0 1 477.523 5.357 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008973381 554844523 /nfs/dbraw/zinc/84/45/23/554844523.db2.gz LUJGTLQZVMKGHA-LJQANCHMSA-N 0 1 493.522 5.058 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008973723 554844973 /nfs/dbraw/zinc/84/49/73/554844973.db2.gz WOVKYWWLNVBNDR-OAQYLSRUSA-N 0 1 478.932 6.180 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(OC)cc3)sc2c1 ZINC000008973833 554845162 /nfs/dbraw/zinc/84/51/62/554845162.db2.gz KUOUBYSAXIBWCL-NRFANRHFSA-N 0 1 476.510 5.080 50 30 JKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000008973756 554845315 /nfs/dbraw/zinc/84/53/15/554845315.db2.gz WECBTFHORFDORD-NRFANRHFSA-N 0 1 494.931 5.880 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3F)sc2c1 ZINC000008973886 554845350 /nfs/dbraw/zinc/84/53/50/554845350.db2.gz PZJXGCJAGATMQI-QFIPXVFZSA-N 0 1 492.503 5.756 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000008981194 554847015 /nfs/dbraw/zinc/84/70/15/554847015.db2.gz FPARVFJAASOQJA-OAQYLSRUSA-N 0 1 460.486 5.227 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008996589 554857274 /nfs/dbraw/zinc/85/72/74/554857274.db2.gz MJDRNZBNSYHWGG-OAQYLSRUSA-N 0 1 487.339 5.862 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000008996630 554857626 /nfs/dbraw/zinc/85/76/26/554857626.db2.gz XHCPLIAVKNPHKP-SFHVURJKSA-N 0 1 473.710 5.182 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008996634 554857710 /nfs/dbraw/zinc/85/77/10/554857710.db2.gz VPQUNQWBVQVPDE-FQEVSTJZSA-N 0 1 473.312 5.471 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009007784 554861246 /nfs/dbraw/zinc/86/12/46/554861246.db2.gz NHPXMSLWGBZUOD-HXUWFJFHSA-N 0 1 468.387 5.397 50 30 JKEAMN COc1ccc(-c2n[nH]c(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)n2)cc1 ZINC000009235406 555009603 /nfs/dbraw/zinc/00/96/03/555009603.db2.gz MPDREJANVMTVMH-HNNXBMFYSA-N 0 1 481.647 5.295 50 30 JKEAMN Cc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009354782 555119192 /nfs/dbraw/zinc/11/91/92/555119192.db2.gz HRNYULXQWNVZNT-UHFFFAOYSA-N 0 1 463.584 5.864 50 30 JKEAMN Cc1cc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)ccc1OCc1ccccc1 ZINC000009380119 555141909 /nfs/dbraw/zinc/14/19/09/555141909.db2.gz RROOFVGSOVIWCO-NDEPHWFRSA-N 0 1 490.559 5.748 50 30 JKEAMN CC[C@@H](C)c1ccccc1OCCCn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000009425296 555189987 /nfs/dbraw/zinc/18/99/87/555189987.db2.gz FELZZOSWRXAIJO-FRDWBBKPSA-N 0 1 482.653 7.680 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009461631 555229452 /nfs/dbraw/zinc/22/94/52/555229452.db2.gz LFWSAMPENLOPQA-HSZRJFAPSA-N 0 1 458.470 5.301 50 30 JKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009461695 555229791 /nfs/dbraw/zinc/22/97/91/555229791.db2.gz GFPOILCIZSXVCS-AXLPEMCNSA-N 0 1 480.431 6.237 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccncc3)cc2)c1 ZINC000009462998 555232420 /nfs/dbraw/zinc/23/24/20/555232420.db2.gz CUKUASDSVUUJTQ-AREMUKBSSA-N 0 1 480.520 5.341 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1Cl ZINC000009464292 555236107 /nfs/dbraw/zinc/23/61/07/555236107.db2.gz SYPVKVNDRVIGLF-HXUWFJFHSA-N 0 1 455.297 5.180 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1O ZINC000009660041 555363647 /nfs/dbraw/zinc/36/36/47/555363647.db2.gz DQFBWDHJGJNSJR-FSJBWODESA-N 0 1 470.279 5.074 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1O ZINC000013476027 555402869 /nfs/dbraw/zinc/40/28/69/555402869.db2.gz AWHCZJRKIBMNKO-FOKLQQMPSA-N 0 1 468.263 5.630 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000009601049 555424989 /nfs/dbraw/zinc/42/49/89/555424989.db2.gz NFLMQODOAPAYKN-FQEVSTJZSA-N 0 1 464.905 5.872 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc3ccccc32)cc1 ZINC000013548591 555490594 /nfs/dbraw/zinc/49/05/94/555490594.db2.gz FHZDDOWRCJEECM-AREMUKBSSA-N 0 1 464.521 5.412 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)c(C)c1 ZINC000013549585 555491081 /nfs/dbraw/zinc/49/10/81/555491081.db2.gz UZVWSDUUNYWMQQ-VWLOTQADSA-N 0 1 456.542 5.347 50 30 JKEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000013551469 555492076 /nfs/dbraw/zinc/49/20/76/555492076.db2.gz RUUQNKVGEZVQKY-LJQANCHMSA-N 0 1 480.542 5.046 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000013551712 555492309 /nfs/dbraw/zinc/49/23/09/555492309.db2.gz GOHHLWMKZMZIGR-QFIPXVFZSA-N 0 1 483.351 5.484 50 30 JKEAMN C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000019835392 555506778 /nfs/dbraw/zinc/50/67/78/555506778.db2.gz JURPNTGWHCXWJW-FEZSWGLMSA-N 0 1 461.609 6.007 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000013570917 555509118 /nfs/dbraw/zinc/50/91/18/555509118.db2.gz KLIPWIOPXFCUPV-HHHXNRCGSA-N 0 1 497.522 6.085 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000013570732 555509206 /nfs/dbraw/zinc/50/92/06/555509206.db2.gz AQLQFFAJMVEFDS-HHHXNRCGSA-N 0 1 495.531 5.651 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000013570919 555509666 /nfs/dbraw/zinc/50/96/66/555509666.db2.gz KLIPWIOPXFCUPV-MHZLTWQESA-N 0 1 497.522 6.085 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000013571584 555510066 /nfs/dbraw/zinc/51/00/66/555510066.db2.gz OOVLMEFOTCOBFV-LJQANCHMSA-N 0 1 469.722 5.280 50 30 JKEAMN COc1ccc(Br)cc1C=Nn1c(=S)[nH]nc1-c1ccccc1Br ZINC000019861033 555520240 /nfs/dbraw/zinc/52/02/40/555520240.db2.gz JYXRFOAAERAAAY-DJKKODMXSA-N 0 1 468.174 5.023 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 ZINC000013688736 555582298 /nfs/dbraw/zinc/58/22/98/555582298.db2.gz LXJJASRGEPERHA-CLYVBNDRSA-N 0 1 458.583 6.067 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O ZINC000013750790 555609256 /nfs/dbraw/zinc/60/92/56/555609256.db2.gz NIHGNDBXBLCWFJ-MUESUYGVSA-N 0 1 462.388 5.613 50 30 JKEAMN CCC[C@@H]1[C@H](c2ccc(OC)cc2)N[C@@H](c2ccc(OC)cc2)C[C@@]1(O)C#Cc1ccccc1 ZINC000013750556 555609333 /nfs/dbraw/zinc/60/93/33/555609333.db2.gz BKJQDSATKUPWJM-XAZDILKDSA-N 0 1 455.598 5.679 50 30 JKEAMN COc1ccc(-c2nc(C#N)c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)cc1OC ZINC000013759148 555612234 /nfs/dbraw/zinc/61/22/34/555612234.db2.gz LFTYTAMAUFKSAU-UHFFFAOYSA-N 0 1 480.568 5.142 50 30 JKEAMN FC(F)(F)c1cccc(-c2ccc(C=NN=c3nc[nH]c4scc(-c5ccccc5)c43)o2)c1 ZINC000013810779 555626076 /nfs/dbraw/zinc/62/60/76/555626076.db2.gz WHVCMQOWGQDBGF-PNQUVVCRSA-N 0 1 464.472 7.083 50 30 JKEAMN CCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O ZINC000013944093 555655643 /nfs/dbraw/zinc/65/56/43/555655643.db2.gz KSLRPAAVPFEONW-RTEBGVHSSA-N 0 1 460.397 5.010 50 30 JKEAMN COc1ccc(C=Nn2c(C(F)F)n[nH]c2=S)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000013959793 555662642 /nfs/dbraw/zinc/66/26/42/555662642.db2.gz FSFWIHAQXKHTLE-MWRNPHMMSA-N 0 1 496.515 5.200 50 30 JKEAMN COc1ccc(Br)cc1/C(O)=N/c1c(=O)oc2ccccc2c1NCc1ccccc1 ZINC000020258460 555744099 /nfs/dbraw/zinc/74/40/99/555744099.db2.gz UFEBEYYHZCNXMD-UHFFFAOYSA-N 0 1 479.330 5.813 50 30 JKEAMN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)sc2C1 ZINC000022920724 555974749 /nfs/dbraw/zinc/97/47/49/555974749.db2.gz RWCZMPUCKLWBBP-NRFANRHFSA-N 0 1 484.669 5.090 50 30 JKEAMN CSC(=NS(=O)(=O)c1cccs1)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 ZINC000012564317 556060067 /nfs/dbraw/zinc/06/00/67/556060067.db2.gz AOSATAJZKQEGGY-UHFFFAOYSA-N 0 1 459.643 5.853 50 30 JKEAMN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cc(OC)ccc2OC)CC1 ZINC000012570602 556073171 /nfs/dbraw/zinc/07/31/71/556073171.db2.gz UZSUMVAGKVCNOL-UHFFFAOYSA-N 0 1 499.080 5.807 50 30 JKEAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NC1CCCCCCC1 ZINC000012589360 556085626 /nfs/dbraw/zinc/08/56/26/556085626.db2.gz SNNRYOODPWTCTP-UHFFFAOYSA-N 0 1 450.948 5.561 50 30 JKEAMN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000012661692 556101478 /nfs/dbraw/zinc/10/14/78/556101478.db2.gz OAALXLVVEQAVAA-YOQJUOJJSA-N 0 1 478.504 7.282 50 30 biogenic JKEAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4oc(C)nc4c3)ccc2Cl)cc1 ZINC000012759692 556109418 /nfs/dbraw/zinc/10/94/18/556109418.db2.gz BEQGMMKGEMFHMD-UHFFFAOYSA-N 0 1 485.949 5.625 50 30 JKEAMN C=CCN(C(=O)CSc1n[nH]c(CCC)n1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000012773748 556110524 /nfs/dbraw/zinc/11/05/24/556110524.db2.gz LDCSUIGADJYYMB-UHFFFAOYSA-N 0 1 468.435 5.499 50 30 JKEAMN C=CCN(C(=O)CSc1nc(CCC)n[nH]1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000012773748 556110525 /nfs/dbraw/zinc/11/05/25/556110525.db2.gz LDCSUIGADJYYMB-UHFFFAOYSA-N 0 1 468.435 5.499 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc4ccccc43)ccc2O1 ZINC000016750468 556156810 /nfs/dbraw/zinc/15/68/10/556156810.db2.gz APRXQKDSQFNQJP-XRHLQHRESA-N 0 1 476.532 5.337 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000016805686 556161578 /nfs/dbraw/zinc/16/15/78/556161578.db2.gz DPAQOVMQXXUAHN-JOCHJYFZSA-N 0 1 466.896 5.051 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@@H]2c2ccc(CC)cc2)cc1Cl ZINC000016805662 556161627 /nfs/dbraw/zinc/16/16/27/556161627.db2.gz OAUBBYYTFURIBT-XMMPIXPASA-N 0 1 486.008 5.695 50 30 JKEAMN COc1cc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000016805803 556162052 /nfs/dbraw/zinc/16/20/52/556162052.db2.gz RNURFNQYJDZFKV-NDEPHWFRSA-N 0 1 499.607 5.941 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2cccc(F)c2)cc1 ZINC000016993658 556197947 /nfs/dbraw/zinc/19/79/47/556197947.db2.gz IRRZPXCAJARDIP-NRFANRHFSA-N 0 1 455.407 5.936 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000016993817 556198015 /nfs/dbraw/zinc/19/80/15/556198015.db2.gz PINYVWJGRBTTFK-OAQYLSRUSA-N 0 1 482.414 5.705 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H]2c2cccc(O)c2)C1 ZINC000017027905 556207335 /nfs/dbraw/zinc/20/73/35/556207335.db2.gz QGZZKBUJOAYAGB-MUUNZHRXSA-N 0 1 452.554 5.778 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000017028084 556207403 /nfs/dbraw/zinc/20/74/03/556207403.db2.gz QLULLKBXOCBXAT-URAOTHONSA-N 0 1 484.596 6.769 50 30 JKEAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)c1 ZINC000017042814 556209359 /nfs/dbraw/zinc/20/93/59/556209359.db2.gz OGGULRBMDLMXKJ-GDLZYMKVSA-N 0 1 466.581 6.081 50 30 JKEAMN N#Cc1c2nc3ccccc3n2c(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2c1CCCC2 ZINC000025783589 556235393 /nfs/dbraw/zinc/23/53/93/556235393.db2.gz KRFFEIOPCZHQEQ-UHFFFAOYSA-N 0 1 486.019 5.092 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026458926 556254124 /nfs/dbraw/zinc/25/41/24/556254124.db2.gz HGUZDZDMMHSJHW-DEOSSOPVSA-N 0 1 479.504 5.385 50 30 JKEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026459010 556254525 /nfs/dbraw/zinc/25/45/25/556254525.db2.gz FHDMXZGKAUOHJS-VWLOTQADSA-N 0 1 493.531 5.775 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026459016 556254588 /nfs/dbraw/zinc/25/45/88/556254588.db2.gz FHDMXZGKAUOHJS-RUZDIDTESA-N 0 1 493.531 5.775 50 30 JKEAMN CC(C)(C)C(=O)CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)C(F)(F)F ZINC000017746371 556265905 /nfs/dbraw/zinc/26/59/05/556265905.db2.gz NNLPMBKCTRAWNI-STBIYBPSSA-N 0 1 493.327 6.395 50 30 JKEAMN CN(C)c1ccc(C=Nc2ccc(-c3nc4ccc(N=Cc5ccc(N(C)C)cc5)cc4[nH]3)cc2)cc1 ZINC000027470539 556279305 /nfs/dbraw/zinc/27/93/05/556279305.db2.gz BQOOYTWNHZMHEV-YMQWWVFYSA-N 0 1 486.623 6.863 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccs1 ZINC000018119380 556290343 /nfs/dbraw/zinc/29/03/43/556290343.db2.gz LXJJASRGEPERHA-MYUZEXMDSA-N 0 1 458.583 6.067 50 30 JKEAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000018127700 556291914 /nfs/dbraw/zinc/29/19/14/556291914.db2.gz XMCUISIXYCDHFZ-ONOMSOESSA-N 0 1 494.978 7.147 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C#N)cc1 ZINC000018136887 556292574 /nfs/dbraw/zinc/29/25/74/556292574.db2.gz ZMLGDYGIDZKQKD-PIKZIKFNSA-N 0 1 451.501 5.618 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(OC)c2)cc1 ZINC000018140640 556292778 /nfs/dbraw/zinc/29/27/78/556292778.db2.gz MWOMBNKHBHRFCS-LGGPFLRQSA-N 0 1 468.553 5.624 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000018153686 556295140 /nfs/dbraw/zinc/29/51/40/556295140.db2.gz IBOGDIMUYJIEHW-XHCCPWGMSA-N 0 1 460.936 6.400 50 30 JKEAMN Cc1cc(C)c(S(=O)(=O)N=C2CC(=Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1C ZINC000018175599 556298413 /nfs/dbraw/zinc/29/84/13/556298413.db2.gz QPINOEOLDJTXTQ-XAYXJRQQSA-N 0 1 464.974 5.636 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCCCC)cc1 ZINC000018180758 556299423 /nfs/dbraw/zinc/29/94/23/556299423.db2.gz MWWQBXFVUKMVLI-SSEXGKCCSA-N 0 1 488.672 7.589 50 30 JKEAMN O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)n1nc(SCc3ccccn3)nc1N2 ZINC000018198813 556306075 /nfs/dbraw/zinc/30/60/75/556306075.db2.gz CGRNCSUMCQNKKJ-IBGZPJMESA-N 0 1 458.374 5.294 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000027988929 556311485 /nfs/dbraw/zinc/31/14/85/556311485.db2.gz ZLTBJWISBCTEMQ-QHCPKHFHSA-N 0 1 495.362 5.732 50 30 JKEAMN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000018283396 556318678 /nfs/dbraw/zinc/31/86/78/556318678.db2.gz WVUWJNXSRREKBS-WINIVTDRSA-N 0 1 482.630 7.024 50 30 JKEAMN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1 ZINC000018283392 556318707 /nfs/dbraw/zinc/31/87/07/556318707.db2.gz WVUWJNXSRREKBS-PPHZAIPVSA-N 0 1 482.630 7.024 50 30 JKEAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000018286655 556319337 /nfs/dbraw/zinc/31/93/37/556319337.db2.gz KSDJXFDPWRHOGJ-NDEPHWFRSA-N 0 1 483.587 6.349 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000018286335 556319349 /nfs/dbraw/zinc/31/93/49/556319349.db2.gz SOIPOQINGZPRQF-HHHXNRCGSA-N 0 1 497.620 6.429 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1 ZINC000018286772 556319354 /nfs/dbraw/zinc/31/93/54/556319354.db2.gz MLASCQDFELZPIC-ZTOMLWHTSA-N 0 1 465.597 6.300 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1cccs1 ZINC000018324923 556319626 /nfs/dbraw/zinc/31/96/26/556319626.db2.gz DMWDXODJVBEXCB-UZTOHYMASA-N 0 1 457.599 5.735 50 30 JKEAMN COc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OCc1ccccc1 ZINC000019682349 556359789 /nfs/dbraw/zinc/35/97/89/556359789.db2.gz HDDNIPBJUTTYMC-STKMKYKTSA-N 0 1 489.619 5.996 50 30 JKEAMN C=CC[NH+](CC=C)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)ccc3C)c(C(F)(F)F)oc21 ZINC000019793120 556372696 /nfs/dbraw/zinc/37/26/96/556372696.db2.gz RVXIFAPUIXXDHG-UHFFFAOYSA-N 0 1 459.464 6.101 50 30 JKEAMN Cc1cc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N ZINC000019808170 556379924 /nfs/dbraw/zinc/37/99/24/556379924.db2.gz KATHTANNKBKCCD-GDLZYMKVSA-N 0 1 492.026 6.233 50 30 JKEAMN COc1ccc(Br)cc1/C=N/N=C1/SC(C)C(=O)N1Cc1cccc2ccccc21 ZINC000031879791 556409291 /nfs/dbraw/zinc/40/92/91/556409291.db2.gz GDFOLGCBAKLQLZ-JMPYXPNVSA-N 0 1 482.403 5.465 50 30 JKEAMN Cc1ccc(-c2nc([N-][NH+]=Cc3ccc(N(C)C)cc3)sc2NC(=O)Cc2ccccc2)cc1 ZINC000032654874 556465929 /nfs/dbraw/zinc/46/59/29/556465929.db2.gz JHRMSRRGJIFAMD-VEILYXNESA-N 0 1 469.614 5.812 50 30 JKEAMN CN(C)[C@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cccc(F)c1 ZINC000032730832 556476860 /nfs/dbraw/zinc/47/68/60/556476860.db2.gz SDGHGKKUNASRHX-GOSISDBHSA-N 0 1 488.407 5.082 50 30 JKEAMN CN(C)[C@@H](CNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cccc(F)c1 ZINC000032730831 556476911 /nfs/dbraw/zinc/47/69/11/556476911.db2.gz SDGHGKKUNASRHX-SFHVURJKSA-N 0 1 488.407 5.082 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000008384327 562939025 /nfs/dbraw/zinc/93/90/25/562939025.db2.gz UKBQILWQTWFOAB-FQEVSTJZSA-N 0 1 480.542 5.127 50 30 JKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000058502143 563206677 /nfs/dbraw/zinc/20/66/77/563206677.db2.gz WZTSLYRAKJXSPS-VUINPIDISA-N 0 1 484.640 6.335 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1OCC ZINC000008384142 569589220 /nfs/dbraw/zinc/58/92/20/569589220.db2.gz ABSAKQXAWVHSFT-OAQYLSRUSA-N 0 1 482.533 5.253 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000008438705 569589768 /nfs/dbraw/zinc/58/97/68/569589768.db2.gz AWPBPUVSNVWYEJ-SANMLTNESA-N 0 1 482.536 5.006 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440089 569589871 /nfs/dbraw/zinc/58/98/71/569589871.db2.gz IYDYBDFPVWRZSW-HHHXNRCGSA-N 0 1 483.608 6.204 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(CC)cc2)cc1 ZINC000008440120 569589998 /nfs/dbraw/zinc/58/99/98/569589998.db2.gz OZXWBGOAEHKFQW-HHHXNRCGSA-N 0 1 469.581 5.859 50 30 JKEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(F)cc2)nc1C ZINC000008441114 569590141 /nfs/dbraw/zinc/59/01/41/569590141.db2.gz OFMIUCZYHCNKRE-FQEVSTJZSA-N 0 1 476.485 5.322 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000008440827 569590191 /nfs/dbraw/zinc/59/01/91/569590191.db2.gz JEIBICMTVOLSBK-SANMLTNESA-N 0 1 499.950 6.291 50 30 JKEAMN CCCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)cc1 ZINC000008445113 569590495 /nfs/dbraw/zinc/59/04/95/569590495.db2.gz PJBRAPMNULBSBF-JPZYQRIQSA-N 0 1 496.607 6.405 50 30 JKEAMN CN(C)c1ccc([C@H]2NC[C@@H](CSc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)O2)cc1 ZINC000055212189 569591247 /nfs/dbraw/zinc/59/12/47/569591247.db2.gz NHAFLDDHDMHTGN-KKSFZXQISA-N 0 1 490.576 5.546 50 30 JKEAMN Clc1ccccc1-c1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)o1 ZINC000008695518 569593630 /nfs/dbraw/zinc/59/36/30/569593630.db2.gz RTFCDNZHFUZJQX-WPWMEQJKSA-N 0 1 473.968 5.965 50 30 JKEAMN COc1cc(Br)cc(/C=N/c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1O ZINC000057227622 569594956 /nfs/dbraw/zinc/59/49/56/569594956.db2.gz BGWCCBGCXBAHMZ-WPWMEQJKSA-N 0 1 480.406 5.236 50 30 JKEAMN CCc1ccc(S(=O)(=O)N=C2CC(=Nc3cc(Cl)ccc3Cl)C(=O)c3ccccc32)cc1 ZINC000062491902 569610859 /nfs/dbraw/zinc/61/08/59/569610859.db2.gz SCZYGZWJAVXWIK-SGWCAAJKSA-N 0 1 485.392 5.926 50 30 JKEAMN CCCC1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000033891275 569636998 /nfs/dbraw/zinc/63/69/98/569636998.db2.gz XBHHYMRFRYYHFR-FPOGMNQUSA-N 0 1 461.587 5.491 50 30 JKEAMN O=C(Nc1ccccc1)c1cnn2c1NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl ZINC000064874230 569641335 /nfs/dbraw/zinc/64/13/35/569641335.db2.gz UBWMVWKNDFBVND-OAQYLSRUSA-N 0 1 453.329 5.464 50 30 JKEAMN CCOc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@@H]3c2c(Cl)cccc2Cl)cc1 ZINC000064874245 569641503 /nfs/dbraw/zinc/64/15/03/569641503.db2.gz IGFQEDQQOZDFKS-QHCPKHFHSA-N 0 1 497.382 5.863 50 30 JKEAMN COc1cc(C#N)ccc1O[C@@H](CCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000034727252 569653019 /nfs/dbraw/zinc/65/30/19/569653019.db2.gz KIJWJHADFLSAOZ-SANMLTNESA-N 0 1 459.565 5.034 50 30 JKEAMN CCc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C(F)(F)F)ccc3SCCC#N)n2)cc1 ZINC000065453184 569675398 /nfs/dbraw/zinc/67/53/98/569675398.db2.gz PLVBJHZCXICUIQ-UHFFFAOYSA-N 0 1 491.564 5.789 50 30 JKEAMN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCCn2ccnc2)c1 ZINC000094979091 569721458 /nfs/dbraw/zinc/72/14/58/569721458.db2.gz YPJIXVIHRPTUOE-RUZDIDTESA-N 0 1 491.563 5.116 50 30 JKEAMN O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1 ZINC000098072922 569750210 /nfs/dbraw/zinc/75/02/10/569750210.db2.gz FAAMOEGPCUWTTB-UHFFFAOYSA-N 0 1 466.172 5.427 50 30 JKEAMN C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096113970 569733149 /nfs/dbraw/zinc/73/31/49/569733149.db2.gz HBICLMRDXXVMCS-SFHVURJKSA-N 0 1 470.477 5.267 50 30 biogenic JKEAMN C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096113970 569733150 /nfs/dbraw/zinc/73/31/50/569733150.db2.gz HBICLMRDXXVMCS-SFHVURJKSA-N 0 1 470.477 5.267 50 30 biogenic JKEAMN CC(C)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)S/C1=N/c1ccc(N(C)C)cc1 ZINC000097464833 569745094 /nfs/dbraw/zinc/74/50/94/569745094.db2.gz UEUVGOVWCSBCTJ-QPEGHUKDSA-N 0 1 464.418 6.025 50 30 JKEAMN CCCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)S/C1=N/c1ccc(OCC)cc1 ZINC000097464849 569745113 /nfs/dbraw/zinc/74/51/13/569745113.db2.gz ZBROPYUBGVUWTH-USFSGSQCSA-N 0 1 495.826 6.221 50 30 JKEAMN CCCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CCCC)cc3)S2)cc1 ZINC000097959793 569747922 /nfs/dbraw/zinc/74/79/22/569747922.db2.gz WMXRMXPHVBHUAK-UGYRVVAPSA-N 0 1 493.717 6.933 50 30 JKEAMN CC1(C)CC(=O)C(C(c2cc(Cl)cc(Cl)c2O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004692 569751162 /nfs/dbraw/zinc/75/11/62/569751162.db2.gz HYPXKULHEOOXLG-GOSISDBHSA-N 0 1 453.362 5.558 50 30 JKEAMN O=C(c1cccs1)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)CC1 ZINC000100056500 569752082 /nfs/dbraw/zinc/75/20/82/569752082.db2.gz ASYGGHMQHYNKJT-AFUMVMLFSA-N 0 1 460.386 5.474 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100340504 569757707 /nfs/dbraw/zinc/75/77/07/569757707.db2.gz ASCWGEMODSKYOK-JBCNATCCSA-N 0 1 498.413 5.249 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100340522 569757737 /nfs/dbraw/zinc/75/77/37/569757737.db2.gz OSIYDTQDKJWRJE-JBCNATCCSA-N 0 1 487.861 5.994 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)C(C)C ZINC000036316387 569762852 /nfs/dbraw/zinc/76/28/52/569762852.db2.gz QCISBSFIYOSABL-HSZRJFAPSA-N 0 1 479.621 5.010 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316533 569763323 /nfs/dbraw/zinc/76/33/23/569763323.db2.gz JGWDLCKSIKKTND-XMMPIXPASA-N 0 1 479.596 5.142 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Br)cc2)sc1C ZINC000101069993 569781059 /nfs/dbraw/zinc/78/10/59/569781059.db2.gz PDIDYEXYURGWFM-IBOXJLQUSA-N 0 1 475.389 5.210 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1)C(C)C ZINC000036346642 569770322 /nfs/dbraw/zinc/77/03/22/569770322.db2.gz STDOFURREPTDOW-HSZRJFAPSA-N 0 1 471.548 5.025 50 30 JKEAMN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346803 569770889 /nfs/dbraw/zinc/77/08/89/569770889.db2.gz XWIGUNKSARICTR-MHZLTWQESA-N 0 1 495.623 5.201 50 30 JKEAMN O=C1c2ccccc2C(=NS(=O)(=O)c2cccs2)CC1=Nc1cc(Cl)ccc1Cl ZINC000100822455 569771587 /nfs/dbraw/zinc/77/15/87/569771587.db2.gz QCQGXLAQZJBMEG-JLPGSUDCSA-N 0 1 463.367 5.425 50 30 JKEAMN Cc1cc(C(F)(F)F)nc2sc3c([nH]c(-c4cccc(OC(F)(F)C(F)F)c4)nc3=O)c21 ZINC000036611328 569777467 /nfs/dbraw/zinc/77/74/67/569777467.db2.gz DWGGOXOIJRIJLE-UHFFFAOYSA-N 0 1 477.361 6.176 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2ccccc2F)no1 ZINC000101062665 569780897 /nfs/dbraw/zinc/78/08/97/569780897.db2.gz QDKFIOPYQBVLMN-YDJIHCHBSA-N 0 1 499.336 5.500 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Br)c2)sc1C ZINC000101100263 569782734 /nfs/dbraw/zinc/78/27/34/569782734.db2.gz BCYQXXAILIREBO-IBOXJLQUSA-N 0 1 475.389 5.210 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccc(Br)c2)no1 ZINC000101101620 569782886 /nfs/dbraw/zinc/78/28/86/569782886.db2.gz FUUMJPKEAOJIGY-YDJIHCHBSA-N 0 1 479.286 5.118 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Br)c3)sc2c1 ZINC000101101520 569782939 /nfs/dbraw/zinc/78/29/39/569782939.db2.gz ZYTDEGZCMDJJGN-LFVOPCPISA-N 0 1 495.354 5.587 50 30 JKEAMN CO[C@H]1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2[C@@H]2[C@@H]3C(=C[C@H]4[C@H]5C=C[C@H](C5)[C@@H]34)[C@H]3C(OC(C)C)=C(OC(C)C)C(=O)[C@]321 ZINC000101142547 569784427 /nfs/dbraw/zinc/78/44/27/569784427.db2.gz PEBOIXSAFUPQGV-LSWHSULTSA-N 0 1 474.641 5.325 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000101287789 569789718 /nfs/dbraw/zinc/78/97/18/569789718.db2.gz GOEYGMFZKAXBHJ-LFVOPCPISA-N 0 1 497.370 5.097 50 30 JKEAMN CCCCCCC[C@](O)(c1ccc(OCCCC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101464735 569798608 /nfs/dbraw/zinc/79/86/08/569798608.db2.gz ODJUKBIHLUMBFK-KYJUHHDHSA-N 0 1 467.694 6.530 50 30 JKEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000101873013 569806535 /nfs/dbraw/zinc/80/65/35/569806535.db2.gz UQYPXOLNWMVDDB-SANMLTNESA-N 0 1 495.501 5.376 50 30 JKEAMN CCCOc1ccc2ccccc2c1CN(C)c1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 ZINC000040122668 569816742 /nfs/dbraw/zinc/81/67/42/569816742.db2.gz JSJLZUYHNDAVFW-UHFFFAOYSA-N 0 1 454.530 5.308 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102864002 569825334 /nfs/dbraw/zinc/82/53/34/569825334.db2.gz SGQVGXUISNIKAB-DFXXOVSGSA-N 0 1 498.623 5.120 50 30 JKEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102863863 569825344 /nfs/dbraw/zinc/82/53/44/569825344.db2.gz ZEIDOMIVMXZGKS-NGAXIMOQSA-N 0 1 483.564 5.073 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102863483 569825468 /nfs/dbraw/zinc/82/54/68/569825468.db2.gz ACXMWYNIRKWABY-NHFXJNLRSA-N 0 1 480.542 5.522 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(Cl)c1)c1ccc(F)cc1 ZINC000102865496 569825626 /nfs/dbraw/zinc/82/56/26/569825626.db2.gz CAYCWMYNCVUTGU-YDJIHCHBSA-N 0 1 482.895 5.854 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1 ZINC000102866706 569825877 /nfs/dbraw/zinc/82/58/77/569825877.db2.gz AZUBASCVACTQHJ-MRJHHRETSA-N 0 1 460.511 5.223 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102874499 569826159 /nfs/dbraw/zinc/82/61/59/569826159.db2.gz CUVCVVCFKLUJOS-NHFXJNLRSA-N 0 1 480.929 5.568 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874863 569826443 /nfs/dbraw/zinc/82/64/43/569826443.db2.gz PNWFUJBNBQJTIS-KXDYMIPJSA-N 0 1 498.579 5.206 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccc(Oc3ccccc3)c2)no1 ZINC000102927622 569826939 /nfs/dbraw/zinc/82/69/39/569826939.db2.gz ZWXZMSPNUSCUQX-HOGKFDNTSA-N 0 1 458.495 5.463 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102927695 569827030 /nfs/dbraw/zinc/82/70/30/569827030.db2.gz CDQWSMFJDQMGHD-FGEDTZIGSA-N 0 1 497.591 5.463 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102928816 569827308 /nfs/dbraw/zinc/82/73/08/569827308.db2.gz WOQNSQNRKHKGOS-MOBKVPTQSA-N 0 1 492.503 5.600 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102929266 569827480 /nfs/dbraw/zinc/82/74/80/569827480.db2.gz WTWMODYDTVZXMW-CJJGVWJISA-N 0 1 487.552 5.254 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102929262 569827612 /nfs/dbraw/zinc/82/76/12/569827612.db2.gz WTWMODYDTVZXMW-CZNAVJSXSA-N 0 1 487.552 5.254 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102929929 569827888 /nfs/dbraw/zinc/82/78/88/569827888.db2.gz PDMFHGSMRZCRSY-LFVOPCPISA-N 0 1 477.523 5.201 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)c(Cl)c3)nc2c(C)c1 ZINC000102930355 569828068 /nfs/dbraw/zinc/82/80/68/569828068.db2.gz OJJQCWPMBWSFRU-QOJBNDRUSA-N 0 1 499.375 6.439 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102931102 569828222 /nfs/dbraw/zinc/82/82/22/569828222.db2.gz KRKWJQDEYYLQRX-LFVOPCPISA-N 0 1 466.971 5.946 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102931361 569828399 /nfs/dbraw/zinc/82/83/99/569828399.db2.gz JQSDKHRPRUMJRJ-AYWGPLOBSA-N 0 1 485.024 5.020 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102931577 569828415 /nfs/dbraw/zinc/82/84/15/569828415.db2.gz KVTOQCYVRDYYEY-JBCNATCCSA-N 0 1 478.476 5.209 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102931320 569828430 /nfs/dbraw/zinc/82/84/30/569828430.db2.gz LTGQCZWZQGBYNV-GOBJLOIFSA-N 0 1 486.377 5.379 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102932374 569828890 /nfs/dbraw/zinc/82/88/90/569828890.db2.gz NJTMGDXJKBKZGX-JBCNATCCSA-N 0 1 489.484 5.278 50 30 JKEAMN CCCCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)CC(C)C ZINC000102995818 569830918 /nfs/dbraw/zinc/83/09/18/569830918.db2.gz BSQDLBVNPQBUIL-UHFFFAOYSA-N 0 1 495.756 6.058 50 30 JKEAMN CCCCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)[C@@H](C)CC ZINC000102995531 569830994 /nfs/dbraw/zinc/83/09/94/569830994.db2.gz FZKZRNIXUNISNS-VWLOTQADSA-N 0 1 495.756 6.200 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)cc2)cc1C ZINC000103143779 569833390 /nfs/dbraw/zinc/83/33/90/569833390.db2.gz TZOGTCFCUROYOO-ZHHPLPSFSA-N 0 1 471.981 5.286 50 30 JKEAMN Cc1ccc(S(=O)(=O)N=C2CC(=Nc3cc(Cl)ccc3Cl)C(=O)c3ccccc32)cc1 ZINC000103321166 569834592 /nfs/dbraw/zinc/83/45/92/569834592.db2.gz CSPUQCZFJXWDCF-OOAXWGSJSA-N 0 1 471.365 5.672 50 30 JKEAMN O=c1nc(Nc2ccccc2)ccn1C(/N=C(\Cl)c1ccccc1)C(Cl)(Cl)Cl ZINC000103751532 569837813 /nfs/dbraw/zinc/83/78/13/569837813.db2.gz OWWPVCCHSWEGEZ-PBRFOAMMSA-N 0 1 456.160 5.541 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000104096769 569840756 /nfs/dbraw/zinc/84/07/56/569840756.db2.gz IPHUEZPCKZBAPG-YDJIHCHBSA-N 0 1 452.825 5.014 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000104115043 569841072 /nfs/dbraw/zinc/84/10/72/569841072.db2.gz BCIWBMITIVDPMM-WOOAAIBNSA-N 0 1 469.722 5.124 50 30 JKEAMN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104126050 569841710 /nfs/dbraw/zinc/84/17/10/569841710.db2.gz DJGAHJPPCPWUMN-HOGKFDNTSA-N 0 1 476.872 5.077 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000104198607 569842880 /nfs/dbraw/zinc/84/28/80/569842880.db2.gz WDXVCBLCYYMPHY-CZNAVJSXSA-N 0 1 487.552 5.254 50 30 JKEAMN CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1 ZINC000217985312 569882407 /nfs/dbraw/zinc/88/24/07/569882407.db2.gz GPNCDDVOLYEKCS-NRFANRHFSA-N 0 1 492.568 6.190 50 30 biogenic JKEAMN COc1ccc(Br)cc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000239235700 570049697 /nfs/dbraw/zinc/04/96/97/570049697.db2.gz WNEPDZYDHJVUAB-UHFFFAOYSA-N 0 1 462.391 5.179 50 30 JKEAMN [O-]c1c(C=Nc2ccc3oc(-c4cccnc4)nc3c2)cc(Br)c(O)c1Br ZINC000252591112 570084048 /nfs/dbraw/zinc/08/40/48/570084048.db2.gz AXRASZCMRGNEKB-UHFFFAOYSA-N 0 1 489.123 5.577 50 30 JKEAMN Cc1ccc2oc(-c3cc(N=Cc4ccc(-c5ccc(Br)cc5)o4)ccc3O)nc2c1 ZINC000252595054 570084413 /nfs/dbraw/zinc/08/44/13/570084413.db2.gz BYBOYUUOXIUDBH-UHFFFAOYSA-N 0 1 473.326 7.282 50 30 JKEAMN Cc1ccc(Cl)cc1-c1ccc(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCOCC3)n2)o1 ZINC000252600239 570084878 /nfs/dbraw/zinc/08/48/78/570084878.db2.gz DPNJQHJYWNLWMV-UHFFFAOYSA-N 0 1 489.967 5.120 50 30 JKEAMN COc1ccc(N=C2S/C(=C\c3cc(Br)cc(Br)c3O)C(=O)N2C)cc1 ZINC000252601912 570085126 /nfs/dbraw/zinc/08/51/26/570085126.db2.gz FDXUVBLSSUBRMM-KURFGLPPSA-N 0 1 498.196 5.160 50 30 JKEAMN CCn1c2cc(C)c(C)cc2nc1N=Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)cc1 ZINC000252612760 570086225 /nfs/dbraw/zinc/08/62/25/570086225.db2.gz IVTJBGDHDHNHHJ-UHFFFAOYSA-N 0 1 491.573 5.441 50 30 JKEAMN Cc1ccc(-c2nc3ncccc3o2)cc1N=Cc1cc(Br)cc(Br)c1O ZINC000252615590 570086509 /nfs/dbraw/zinc/08/65/09/570086509.db2.gz JTDQKPCJPCAYNS-UHFFFAOYSA-N 0 1 487.151 6.179 50 30 JKEAMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1O ZINC000252619979 570087042 /nfs/dbraw/zinc/08/70/42/570087042.db2.gz LVIFVHYQSWZGHX-UHFFFAOYSA-N 0 1 459.502 6.555 50 30 JKEAMN CCOC(=O)c1c(N=Cc2cc(Br)cc(Br)c2O)sc2c1CCC2 ZINC000252620746 570087175 /nfs/dbraw/zinc/08/71/75/570087175.db2.gz MLDSJNZSKUWFJK-UHFFFAOYSA-N 0 1 473.186 5.395 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccc(Br)c2cccnc12 ZINC000252621412 570087330 /nfs/dbraw/zinc/08/73/30/570087330.db2.gz MXZVDJCUTHPMHB-UHFFFAOYSA-N 0 1 484.973 5.979 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1Cl ZINC000252623248 570087719 /nfs/dbraw/zinc/08/77/19/570087719.db2.gz ONFTXKAORJRTQM-UHFFFAOYSA-N 0 1 457.471 6.340 50 30 JKEAMN CCOc1cc([N+](=O)[O-])cc(C=Nc2ccc(-c3nc4cc(-c5ccccc5)ccc4o3)cc2)c1O ZINC000252623430 570087783 /nfs/dbraw/zinc/08/77/83/570087783.db2.gz ORCNWJPGXBTWNX-UHFFFAOYSA-N 0 1 479.492 6.925 50 30 JKEAMN CCCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)SC1=Nc1ccc(OC)cc1 ZINC000252626548 570088441 /nfs/dbraw/zinc/08/84/41/570088441.db2.gz RBCDLZMVOOCHAV-HJTUMBPSSA-N 0 1 481.799 5.831 50 30 JKEAMN CC(=O)Nc1cc(Nc2ccccc2N=Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252625858 570088458 /nfs/dbraw/zinc/08/84/58/570088458.db2.gz QQRDQEXOKWNFCZ-UHFFFAOYSA-N 0 1 458.434 5.437 50 30 JKEAMN Clc1ccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCCC4)n3)o2)cc1 ZINC000252633150 570089519 /nfs/dbraw/zinc/08/95/19/570089519.db2.gz WAKGUYGRUHVALM-UHFFFAOYSA-N 0 1 473.968 5.965 50 30 JKEAMN CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc([N+](=O)[O-])c1O ZINC000252632192 570089523 /nfs/dbraw/zinc/08/95/23/570089523.db2.gz VQCOCIZLLNIVLA-KHSCPFDSSA-N 0 1 465.487 5.096 50 30 JKEAMN CCOc1ccc(N=C2S/C(=C\c3cc(Br)cc(Cl)c3O)C(=O)N2CC)cc1 ZINC000252638373 570090212 /nfs/dbraw/zinc/09/02/12/570090212.db2.gz YBPPEZUQFCTYFH-HJTUMBPSSA-N 0 1 481.799 5.831 50 30 JKEAMN CCCN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)SC1=Nc1ccc(OCC)cc1 ZINC000252641316 570090449 /nfs/dbraw/zinc/09/04/49/570090449.db2.gz ZBROPYUBGVUWTH-DSBLIHRRSA-N 0 1 495.826 6.221 50 30 JKEAMN C=C(C)[C@@H]1CC=C(CN2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NCc2cccnc2)CC1 ZINC000299775544 570176096 /nfs/dbraw/zinc/17/60/96/570176096.db2.gz JYRRNWBSRDKITQ-RCXJIHSJSA-N 0 1 465.638 5.375 50 30 JKEAMN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3ccc(Cl)cc3Cl)n[nH]1)CCCC2 ZINC000001144817 194046634 /nfs/dbraw/zinc/04/66/34/194046634.db2.gz LREZEECXIQLMMI-UHFFFAOYSA-N 0 1 464.403 5.321 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001182289 194063532 /nfs/dbraw/zinc/06/35/32/194063532.db2.gz XQBFHRZKMRMRTK-PIIWDFAUSA-N 0 1 467.525 5.905 50 30 JKEAMN Cc1ccc2nc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4O)c3)oc2c1 ZINC000003049907 194218545 /nfs/dbraw/zinc/21/85/45/194218545.db2.gz BSTRKGHUMGYRGF-BHGWPJFGSA-N 0 1 486.163 6.784 50 30 JKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000003050046 194218564 /nfs/dbraw/zinc/21/85/64/194218564.db2.gz YWMHMXNZQLNBJD-YSURURNPSA-N 0 1 462.130 7.020 50 30 JKEAMN Cc1cccc(-c2nc3cc(/N=C/c4cc(Cl)cc(I)c4O)ccc3o2)c1 ZINC000003049991 194218627 /nfs/dbraw/zinc/21/86/27/194218627.db2.gz VFUSLWUZWYTEBY-BHGWPJFGSA-N 0 1 488.712 6.517 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000003114043 194227340 /nfs/dbraw/zinc/22/73/40/194227340.db2.gz UALAQANFCJSYDP-YCPBAFNGSA-N 0 1 452.124 7.565 50 30 JKEAMN Oc1c(Br)cc(Cl)cc1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 ZINC000003114100 194227446 /nfs/dbraw/zinc/22/74/46/194227446.db2.gz ORSYJEQDHMSWCN-YCPBAFNGSA-N 0 1 496.575 7.674 50 30 JKEAMN Cc1cc2nc(-c3ccc(/N=C/c4cc(Br)cc(Cl)c4O)cc3)oc2cc1C ZINC000003114642 194227540 /nfs/dbraw/zinc/22/75/40/194227540.db2.gz JHONGHYQFHZQGW-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 ZINC000003115617 194227868 /nfs/dbraw/zinc/22/78/68/194227868.db2.gz MYPCUIRBHDPURC-YCPBAFNGSA-N 0 1 480.120 7.159 50 30 JKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000003115566 194227886 /nfs/dbraw/zinc/22/78/86/194227886.db2.gz HXNUHRFIYDEAOV-YSURURNPSA-N 0 1 462.130 7.020 50 30 JKEAMN Cc1ccc(-c2csc([C@H](C#N)C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)n2)cc1 ZINC000003425290 194319929 /nfs/dbraw/zinc/31/99/29/194319929.db2.gz PXWVCOMUWMPKCR-HSZRJFAPSA-N 0 1 487.606 5.434 50 30 JKEAMN Cc1ccc(-c2csc(C(C#N)C(=O)c3cccc(S(=O)(=O)N(C)c4ccccc4)c3)n2)cc1 ZINC000003425290 194319931 /nfs/dbraw/zinc/31/99/31/194319931.db2.gz PXWVCOMUWMPKCR-HSZRJFAPSA-N 0 1 487.606 5.434 50 30 JKEAMN Cc1c(Cl)c(C)c(/C=N/c2cccc(-c3nc4ccccc4o3)c2)c(O)c1Br ZINC000003656929 194353736 /nfs/dbraw/zinc/35/37/36/194353736.db2.gz DLXLSFDTZYPWBN-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1 ZINC000003663608 194356113 /nfs/dbraw/zinc/35/61/13/194356113.db2.gz VSKKZMGXAGCJLP-YPXUMCKCSA-N 0 1 460.666 7.914 50 30 JKEAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000004171940 194382518 /nfs/dbraw/zinc/38/25/18/194382518.db2.gz LAOJAVFARSXSCB-WINIVTDRSA-N 0 1 466.562 6.556 50 30 JKEAMN CCCC(=O)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Br)c3O)cc2)CC1 ZINC000004109405 194378596 /nfs/dbraw/zinc/37/85/96/194378596.db2.gz JBSKYFMWDYUARL-ZVHZXABRSA-N 0 1 464.791 5.007 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000009602054 194805146 /nfs/dbraw/zinc/80/51/46/194805146.db2.gz KADVACVHEHREAK-KWMCUTETSA-N 0 1 491.418 7.304 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012643073 195072404 /nfs/dbraw/zinc/07/24/04/195072404.db2.gz FHTAULQSKYGAJK-NRFANRHFSA-N 0 1 472.755 6.425 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000012648788 195074845 /nfs/dbraw/zinc/07/48/45/195074845.db2.gz UHSZUPHJTPXZPU-LGGPFLRQSA-N 0 1 481.552 6.214 50 30 JKEAMN O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1 ZINC000012652353 195076712 /nfs/dbraw/zinc/07/67/12/195076712.db2.gz QBNYWBCBRIYEDY-OLILMLBXSA-N 0 1 480.589 6.484 50 30 JKEAMN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000012652286 195076726 /nfs/dbraw/zinc/07/67/26/195076726.db2.gz TWVMTKPJRZUAKB-XRHLQHRESA-N 0 1 484.939 6.740 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1OC ZINC000012652435 195076844 /nfs/dbraw/zinc/07/68/44/195076844.db2.gz CPBMROYYKZBPEP-CLYVBNDRSA-N 0 1 471.557 5.782 50 30 JKEAMN Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@@H](C(=O)C=Cc1ccccc1)[C@H]1OC(=O)c2ccccc21 ZINC000102299927 130118839 /nfs/dbraw/zinc/11/88/39/130118839.db2.gz FTTKFDCSVAEVNL-UDCWVNPZSA-N 0 1 495.575 5.611 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Br)cc2)no1 ZINC000102368592 130122054 /nfs/dbraw/zinc/12/20/54/130122054.db2.gz WMEGGEAOWQYMEI-MRJHHRETSA-N 0 1 497.345 5.159 50 30 JKEAMN O=C(Nc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1Cl)c1ccco1 ZINC000102413369 130128395 /nfs/dbraw/zinc/12/83/95/130128395.db2.gz BTTXEGCZCKAIMJ-LSFURLLWSA-N 0 1 498.558 6.167 50 30 JKEAMN O=C(Nc1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccco1 ZINC000102413366 130128436 /nfs/dbraw/zinc/12/84/36/130128436.db2.gz VPVABSMXZVKCHT-UFFVCSGVSA-N 0 1 464.113 5.513 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102483795 130137462 /nfs/dbraw/zinc/13/74/62/130137462.db2.gz FTVYPRDBWYFRRC-MRJHHRETSA-N 0 1 489.484 5.278 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000102490327 130144461 /nfs/dbraw/zinc/14/44/61/130144461.db2.gz ZGJAUSMKQOILCD-LFVOPCPISA-N 0 1 466.515 5.132 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(F)cc1 ZINC000102494912 130149221 /nfs/dbraw/zinc/14/92/21/130149221.db2.gz QRLDPDBJDBSTCH-SELCWUDQSA-N 0 1 454.479 5.262 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)o1 ZINC000102497486 130151681 /nfs/dbraw/zinc/15/16/81/130151681.db2.gz QGCATLWONQYSBZ-PGVNHDJNSA-N 0 1 462.502 5.580 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102515189 130168583 /nfs/dbraw/zinc/16/85/83/130168583.db2.gz DAOKPFGURPQGTA-CJJGVWJISA-N 0 1 487.600 5.307 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000102515182 130168699 /nfs/dbraw/zinc/16/86/99/130168699.db2.gz DAOKPFGURPQGTA-CZNAVJSXSA-N 0 1 487.600 5.307 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102518104 130171248 /nfs/dbraw/zinc/17/12/48/130171248.db2.gz ZTFXXZRHKUSGBO-LFVOPCPISA-N 0 1 482.970 5.646 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000102532220 130185748 /nfs/dbraw/zinc/18/57/48/130185748.db2.gz PZBDAHOUJKFEJT-DFXXOVSGSA-N 0 1 499.607 5.595 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102532576 130186438 /nfs/dbraw/zinc/18/64/38/130186438.db2.gz YILIDIPCXLSEPD-WOOAAIBNSA-N 0 1 466.902 5.178 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102536225 130190543 /nfs/dbraw/zinc/19/05/43/130190543.db2.gz ATXMABUJESEREN-AGGMBTAESA-N 0 1 482.414 5.548 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(F)c3)nc2c(C)c1 ZINC000102542195 130198039 /nfs/dbraw/zinc/19/80/39/130198039.db2.gz ZAPGWJUOKNPZSD-HFEWCJDKSA-N 0 1 476.504 5.818 50 30 JKEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102543490 130199395 /nfs/dbraw/zinc/19/93/95/130199395.db2.gz JTPZCYABQWLUPO-BFLOGMOSSA-N 0 1 469.537 5.031 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)nc2c(C)c1 ZINC000102543605 130199864 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/nfs/dbraw/zinc/33/45/69/130334569.db2.gz KROXEQSJRAEREW-JBCNATCCSA-N 0 1 495.387 6.538 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102869825 130342215 /nfs/dbraw/zinc/34/22/15/130342215.db2.gz NFLYWCLQFINPIK-ZHHPLPSFSA-N 0 1 458.470 5.144 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102875550 130347734 /nfs/dbraw/zinc/34/77/34/130347734.db2.gz BNKJNRVRIPATTD-XCSSDTEYSA-N 0 1 453.538 5.194 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102876911 130349534 /nfs/dbraw/zinc/34/95/34/130349534.db2.gz NFZOUNWDGWQZPF-NGAXIMOQSA-N 0 1 483.564 5.073 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102877203 130350562 /nfs/dbraw/zinc/35/05/62/130350562.db2.gz IKQCOYSTRPMRQZ-WOOAAIBNSA-N 0 1 489.380 5.702 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102878979 130353335 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QLSPOTIPGMHNNZ-CZNAVJSXSA-N 0 1 486.568 5.137 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102889584 130371245 /nfs/dbraw/zinc/37/12/45/130371245.db2.gz VUBCBNRCYZPXRB-ONQGDUAMSA-N 0 1 483.564 5.246 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000102896380 130377976 /nfs/dbraw/zinc/37/79/76/130377976.db2.gz KICGFZQYNWRKTI-KXDYMIPJSA-N 0 1 498.579 5.206 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102926817 130398818 /nfs/dbraw/zinc/39/88/18/130398818.db2.gz CORPKSYUUNWANC-CJJGVWJISA-N 0 1 492.660 5.455 50 30 JKEAMN CCCCCCCCC(=O)N(CCCOC)Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1 ZINC000102995813 130442849 /nfs/dbraw/zinc/44/28/49/130442849.db2.gz MKIKQYFPSNVLGJ-UHFFFAOYSA-N 0 1 497.728 5.048 50 30 JKEAMN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009353698 518343029 /nfs/dbraw/zinc/34/30/29/518343029.db2.gz RWLHAFAXMSUQJI-QFIPXVFZSA-N 0 1 476.872 5.234 50 30 JKEAMN CC(C)(C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000012339816 518505751 /nfs/dbraw/zinc/50/57/51/518505751.db2.gz HJYANBMZZUEIEU-VYVUJPJFSA-N 0 1 468.224 6.986 50 30 JKEAMN C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CNCc2ccccc2C(F)(F)F)c1=O ZINC000014957742 518653005 /nfs/dbraw/zinc/65/30/05/518653005.db2.gz DRUQWIDSRKAYBO-UHFFFAOYSA-N 0 1 466.887 5.080 50 30 JKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1 ZINC000036303789 518713985 /nfs/dbraw/zinc/71/39/85/518713985.db2.gz GVKUNNYPWHTPOG-HSZRJFAPSA-N 0 1 454.014 6.166 50 30 JKEAMN C=CCC[C@H](O)CN(Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303353 518725950 /nfs/dbraw/zinc/72/59/50/518725950.db2.gz KAWOXMBMBXBFEM-QHCPKHFHSA-N 0 1 491.632 5.536 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C1CC1 ZINC000036305007 518985988 /nfs/dbraw/zinc/98/59/88/518985988.db2.gz JYVBMJRQCJGXDN-NRFANRHFSA-N 0 1 467.997 5.061 50 30 JKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304196 518990961 /nfs/dbraw/zinc/99/09/61/518990961.db2.gz JDIXPMQTLJUPSN-JOCHJYFZSA-N 0 1 471.548 5.027 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304926 518994104 /nfs/dbraw/zinc/99/41/04/518994104.db2.gz SRMYIVMZFYHISU-RUZDIDTESA-N 0 1 461.606 5.057 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2cccc(F)c2)no1 ZINC000009110826 518999213 /nfs/dbraw/zinc/99/92/13/518999213.db2.gz FXFPQBQEJRVALY-FQEVSTJZSA-N 0 1 499.336 5.657 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009969583 519022253 /nfs/dbraw/zinc/02/22/53/519022253.db2.gz KTXSSNJZFDRZSG-JOCHJYFZSA-N 0 1 494.341 5.385 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994526 519022308 /nfs/dbraw/zinc/02/23/08/519022308.db2.gz YWDXNCWLOUQFNA-HHHXNRCGSA-N 0 1 496.607 6.031 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000009280207 519022364 /nfs/dbraw/zinc/02/23/64/519022364.db2.gz VODNJXDOZWAOTD-HSZRJFAPSA-N 0 1 460.917 5.078 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000009994524 519022380 /nfs/dbraw/zinc/02/23/80/519022380.db2.gz PVRITYLXCUJIFX-MHZLTWQESA-N 0 1 482.580 5.857 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000009008805 519022912 /nfs/dbraw/zinc/02/29/12/519022912.db2.gz GTHPXAYFUJWDME-SANMLTNESA-N 0 1 482.580 5.722 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009969584 519024106 /nfs/dbraw/zinc/02/41/06/519024106.db2.gz KTXSSNJZFDRZSG-QFIPXVFZSA-N 0 1 494.341 5.385 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016732556 519024510 /nfs/dbraw/zinc/02/45/10/519024510.db2.gz ZRRNXIRHPXOUCH-HSZRJFAPSA-N 0 1 460.917 5.078 50 30 JKEAMN C=CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000009094942 519039969 /nfs/dbraw/zinc/03/99/69/519039969.db2.gz LXTRFOJCWUGVTR-UHFFFAOYSA-N 0 1 456.951 5.266 50 30 JKEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009354480 519042794 /nfs/dbraw/zinc/04/27/94/519042794.db2.gz SQJFVPKAXPOZGM-UZTOHYMASA-N 0 1 481.548 5.353 50 30 JKEAMN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009374716 519042857 /nfs/dbraw/zinc/04/28/57/519042857.db2.gz ABLKEWYAUGVGFC-PIIWDFAUSA-N 0 1 495.575 5.396 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009425226 519047914 /nfs/dbraw/zinc/04/79/14/519047914.db2.gz XSYVLPXWCJGZDK-HHHXNRCGSA-N 0 1 497.591 5.576 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004641082 519048324 /nfs/dbraw/zinc/04/83/24/519048324.db2.gz UMOYXFCZKHWMEH-HHHXNRCGSA-N 0 1 496.582 6.426 50 30 JKEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016741791 519049993 /nfs/dbraw/zinc/04/99/93/519049993.db2.gz RYUOWFLGCRRZDF-DEOSSOPVSA-N 0 1 473.525 5.127 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009311881 519060012 /nfs/dbraw/zinc/06/00/12/519060012.db2.gz SUVYPAIOLOSCEU-UZTOHYMASA-N 0 1 481.548 5.353 50 30 JKEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000009312700 519062897 /nfs/dbraw/zinc/06/28/97/519062897.db2.gz UWBJXZZQBFUSGB-NRFANRHFSA-N 0 1 495.329 5.093 50 30 JKEAMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000010060005 519123932 /nfs/dbraw/zinc/12/39/32/519123932.db2.gz WNDBUULXWFQONW-JLPGSUDCSA-N 0 1 488.971 5.508 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc2c(c1)OCO2 ZINC000009861258 519640200 /nfs/dbraw/zinc/64/02/00/519640200.db2.gz WDPZPEHVPFNKTB-WTYVLRPYSA-N 0 1 452.510 5.336 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000009428483 519640243 /nfs/dbraw/zinc/64/02/43/519640243.db2.gz BQNPOLCBZCCWGQ-XHCCPWGMSA-N 0 1 477.391 6.914 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000009108871 519640486 /nfs/dbraw/zinc/64/04/86/519640486.db2.gz CUGZKDNLUVUMLK-MYUZEXMDSA-N 0 1 460.936 6.400 50 30 JKEAMN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000000703360 519675777 /nfs/dbraw/zinc/67/57/77/519675777.db2.gz UZMWQHLQKOTGAG-VWLOTQADSA-N 0 1 474.532 5.424 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009271229 519720617 /nfs/dbraw/zinc/72/06/17/519720617.db2.gz GXUTWCYXWIDGIU-JOCHJYFZSA-N 0 1 481.335 5.735 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009271230 519720975 /nfs/dbraw/zinc/72/09/75/519720975.db2.gz GXUTWCYXWIDGIU-QFIPXVFZSA-N 0 1 481.335 5.735 50 30 JKEAMN CC(=O)Nc1ccc(S(=O)(=O)c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2)cc1 ZINC000071767232 519732142 /nfs/dbraw/zinc/73/21/42/519732142.db2.gz LEPBMOQYUCUVHO-WYMPLXKRSA-N 0 1 463.342 5.241 50 30 JKEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009282184 519762453 /nfs/dbraw/zinc/76/24/53/519762453.db2.gz KNHGXWNYYKTSFO-DEOSSOPVSA-N 0 1 476.960 5.548 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424044 519840093 /nfs/dbraw/zinc/84/00/93/519840093.db2.gz LOTRVKOGJVJPKW-NGOKVRLYSA-N 0 1 481.592 5.954 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009312748 519840265 /nfs/dbraw/zinc/84/02/65/519840265.db2.gz WNMGXYKVEGMYJI-PPHZAIPVSA-N 0 1 467.565 5.912 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000008846653 519928472 /nfs/dbraw/zinc/92/84/72/519928472.db2.gz CJNDZWYVXKAJGG-CLYVBNDRSA-N 0 1 460.599 6.822 50 30 JKEAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000009452770 519928627 /nfs/dbraw/zinc/92/86/27/519928627.db2.gz WXEAZZFEJONOEK-NRUKRWIHSA-N 0 1 496.626 7.615 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000009934324 519928679 /nfs/dbraw/zinc/92/86/79/519928679.db2.gz DIBOZPIMPHUNRQ-PBBNMVCDSA-N 0 1 454.570 6.761 50 30 JKEAMN CCCCCCOc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3c(Cl)cccc3Cl)S2)cc1 ZINC000012042404 520103845 /nfs/dbraw/zinc/10/38/45/520103845.db2.gz VCTNAOGFYATQEW-YYHBXHNPSA-N 0 1 478.445 6.117 50 30 JKEAMN CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1N1CCCCC1 ZINC000015861687 520245054 /nfs/dbraw/zinc/24/50/54/520245054.db2.gz BTZSJKUSTXDSJT-QZXHWKBGSA-N 0 1 460.691 5.954 50 30 JKEAMN CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/C2CCCCC2)[C@H]1N1CCCCC1 ZINC000015861678 520245442 /nfs/dbraw/zinc/24/54/42/520245442.db2.gz JHLYFMJCORFDQD-VKLVRSFNSA-N 0 1 451.602 6.465 50 30 JKEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009425012 520257611 /nfs/dbraw/zinc/25/76/11/520257611.db2.gz WUYZKAJJXFFXHM-QHCPKHFHSA-N 0 1 480.948 5.988 50 30 JKEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000009312636 520257630 /nfs/dbraw/zinc/25/76/30/520257630.db2.gz DGMHUNDHRAZDEN-BCHFMIIMSA-N 0 1 493.600 5.194 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1n[nH]c(-c3ccc([N+](=O)[O-])cc3)c1[C@@H]2c1cccc(Br)c1 ZINC000020135262 520260987 /nfs/dbraw/zinc/26/09/87/520260987.db2.gz MBMRPNNGDWXBRI-LJQANCHMSA-N 0 1 493.361 5.948 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NCc3ccco3)[C@H]2c2ccc(F)cc2)C1 ZINC000021722172 520261982 /nfs/dbraw/zinc/26/19/82/520261982.db2.gz GGRYLXGEHZDEDL-VWLOTQADSA-N 0 1 459.521 5.945 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(F)cc3)[C@H]2c2ccccc2)C1 ZINC000021722085 520263316 /nfs/dbraw/zinc/26/33/16/520263316.db2.gz BJXPSOCKRPYYCH-SANMLTNESA-N 0 1 455.533 6.674 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccc([N+](=O)[O-])cc3)nn1[C@@H]2c1ccccc1Cl ZINC000020849923 520267865 /nfs/dbraw/zinc/26/78/65/520267865.db2.gz XYUIDQDBDSBEAZ-OAQYLSRUSA-N 0 1 495.992 5.790 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994371 520330891 /nfs/dbraw/zinc/33/08/91/520330891.db2.gz CKGFUABTEJPZMX-HHHXNRCGSA-N 0 1 498.623 6.255 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993927 520331521 /nfs/dbraw/zinc/33/15/21/520331521.db2.gz GFFXRZZDWSSVON-AREMUKBSSA-N 0 1 485.584 5.023 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994373 520331760 /nfs/dbraw/zinc/33/17/60/520331760.db2.gz CKGFUABTEJPZMX-MHZLTWQESA-N 0 1 498.623 6.255 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009461721 520421591 /nfs/dbraw/zinc/42/15/91/520421591.db2.gz KOOKSVAULNEAMZ-XMMPIXPASA-N 0 1 488.496 5.310 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009424093 520422463 /nfs/dbraw/zinc/42/24/63/520422463.db2.gz QDESVDZVXYRWMP-HHHXNRCGSA-N 0 1 499.563 5.068 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009456359 520471417 /nfs/dbraw/zinc/47/14/17/520471417.db2.gz KTBDQFSDDMRQEZ-MHZLTWQESA-N 0 1 499.563 5.068 50 30 JKEAMN CCOc1cc([C@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCc2ccccc2)ccc1O ZINC000000702439 520781820 /nfs/dbraw/zinc/78/18/20/520781820.db2.gz WCICRUJLGJSUNZ-SANMLTNESA-N 0 1 471.553 5.229 50 30 JKEAMN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc([N+](=O)[O-])c1O ZINC000012411367 520785471 /nfs/dbraw/zinc/78/54/71/520785471.db2.gz LMDSCQMKUQOMGG-DNOBIOAJSA-N 0 1 485.540 5.987 50 30 JKEAMN CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc([N+](=O)[O-])c1O ZINC000016426702 520786251 /nfs/dbraw/zinc/78/62/51/520786251.db2.gz RXRYAOOHVJUQOQ-JBEBIEQOSA-N 0 1 477.542 5.740 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000009370801 520863069 /nfs/dbraw/zinc/86/30/69/520863069.db2.gz GJIIOUQRBRKEFL-VWLOTQADSA-N 0 1 490.987 6.001 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nnc(C)s3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000016729410 520863314 /nfs/dbraw/zinc/86/33/14/520863314.db2.gz VQAGIBGGDJWFMP-FQEVSTJZSA-N 0 1 483.977 5.462 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000009158482 520863425 /nfs/dbraw/zinc/86/34/25/520863425.db2.gz IXXODBPPSKKFFT-DEOSSOPVSA-N 0 1 476.960 5.692 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000009046628 520875199 /nfs/dbraw/zinc/87/51/99/520875199.db2.gz SRQXRACHNNXIKN-QHCPKHFHSA-N 0 1 485.024 5.176 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000012311280 520875921 /nfs/dbraw/zinc/87/59/21/520875921.db2.gz ZRAVDOMLVQIBJT-HXUWFJFHSA-N 0 1 464.345 5.007 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016732905 520877866 /nfs/dbraw/zinc/87/78/66/520877866.db2.gz YKBGZPZWOPHWNK-VPUSJEBWSA-N 0 1 499.563 5.635 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016732898 520878950 /nfs/dbraw/zinc/87/89/50/520878950.db2.gz YKBGZPZWOPHWNK-XNMGPUDCSA-N 0 1 499.563 5.635 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009456018 520880073 /nfs/dbraw/zinc/88/00/73/520880073.db2.gz VPCPFHDWPVQBLJ-SANMLTNESA-N 0 1 496.519 5.957 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000016733477 520880412 /nfs/dbraw/zinc/88/04/12/520880412.db2.gz AEEJSTLLUHSLRQ-NRFANRHFSA-N 0 1 455.869 5.249 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1 ZINC000009994173 520880635 /nfs/dbraw/zinc/88/06/35/520880635.db2.gz JXQIGXFSYYBCRI-SANMLTNESA-N 0 1 484.596 5.865 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000009969593 520881968 /nfs/dbraw/zinc/88/19/68/520881968.db2.gz NXAMLSYOQJPXDS-XMMPIXPASA-N 0 1 479.960 6.234 50 30 JKEAMN CCN(CC)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000020423877 520882989 /nfs/dbraw/zinc/88/29/89/520882989.db2.gz UZHWHSQJNDIEFI-MTDXEUNCSA-N 0 1 461.034 7.423 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000009464624 520894606 /nfs/dbraw/zinc/89/46/06/520894606.db2.gz WQIZVCHJIDPPEY-HHHXNRCGSA-N 0 1 499.563 5.415 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009360903 520894943 /nfs/dbraw/zinc/89/49/43/520894943.db2.gz GGZPAOMEVDNCJB-HSZRJFAPSA-N 0 1 496.947 5.607 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccncc2)cc1 ZINC000016731169 520896458 /nfs/dbraw/zinc/89/64/58/520896458.db2.gz UQOTXSMSLBTWHE-VWLOTQADSA-N 0 1 490.531 5.187 50 30 JKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(OC)cc2)C1=O ZINC000009424398 520896500 /nfs/dbraw/zinc/89/65/00/520896500.db2.gz GDRXNQNKFYBKME-MQBMHJJESA-N 0 1 460.397 5.092 50 30 JKEAMN CCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O ZINC000009359029 520896523 /nfs/dbraw/zinc/89/65/23/520896523.db2.gz WZMLRHOGDCCBTN-USZBFOJCSA-N 0 1 474.424 5.400 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009470754 520897295 /nfs/dbraw/zinc/89/72/95/520897295.db2.gz MPMAMRFNAMFMBX-QFIPXVFZSA-N 0 1 450.466 5.084 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000009358792 520908613 /nfs/dbraw/zinc/90/86/13/520908613.db2.gz AQXIHTCOALPYMR-XHCCPWGMSA-N 0 1 498.579 5.362 50 30 JKEAMN CCCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccccc2C)C1=O ZINC000009380328 521119028 /nfs/dbraw/zinc/11/90/28/521119028.db2.gz UERXLIRAJGJPEI-NNLCKWJRSA-N 0 1 488.451 5.790 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 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461.489 5.233 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009362755 523279349 /nfs/dbraw/zinc/27/93/49/523279349.db2.gz MKTSPPXARBQAMO-SANMLTNESA-N 0 1 487.552 5.411 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000009380579 523280296 /nfs/dbraw/zinc/28/02/96/523280296.db2.gz VYWNUJKQKZJQJR-VWLOTQADSA-N 0 1 473.525 5.102 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000009403494 523282007 /nfs/dbraw/zinc/28/20/07/523282007.db2.gz NJWDPXGKZGGISW-NIYFSFCBSA-N 0 1 493.600 5.050 50 30 biogenic JKEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2 ZINC000020648862 523343386 /nfs/dbraw/zinc/34/33/86/523343386.db2.gz BTKJIDUBIQBQEB-CFRMEGHHSA-N 0 1 490.353 6.149 50 30 JKEAMN C[N@@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Br)O2 ZINC000020624825 523343451 /nfs/dbraw/zinc/34/34/51/523343451.db2.gz KZPHBUOXVRUCGP-XKZIYDEJSA-N 0 1 450.332 5.403 50 30 JKEAMN COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(Cl)cc3)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000009851125 523469357 /nfs/dbraw/zinc/46/93/57/523469357.db2.gz ZGUZPZYNZBZJJN-XOFWUJAUSA-N 0 1 495.988 5.522 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009861067 523561749 /nfs/dbraw/zinc/56/17/49/523561749.db2.gz CDPOELJQZNEAHT-QHCPKHFHSA-N 0 1 492.369 5.279 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000016247217 523561827 /nfs/dbraw/zinc/56/18/27/523561827.db2.gz VFCJQLGBMXXXKI-VPUSJEBWSA-N 0 1 499.563 5.032 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000033534143 523562401 /nfs/dbraw/zinc/56/24/01/523562401.db2.gz LBMGKHRGLUMANQ-QHCPKHFHSA-N 0 1 482.363 5.823 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)c(C)c1 ZINC000009235632 523563223 /nfs/dbraw/zinc/56/32/23/523563223.db2.gz KPMMGPZCUMRVSG-QFIPXVFZSA-N 0 1 483.351 5.484 50 30 JKEAMN 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Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)s1 ZINC000000703146 553762390 /nfs/dbraw/zinc/76/23/90/553762390.db2.gz HHUFTNZOMWIARE-SFHVURJKSA-N 0 1 496.342 5.138 50 30 JKEAMN Cc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000000717367 553769362 /nfs/dbraw/zinc/76/93/62/553769362.db2.gz RAXUPLCJGBXASB-YUDQIZAISA-N 0 1 474.560 6.802 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccs1 ZINC000000718136 553770204 /nfs/dbraw/zinc/77/02/04/553770204.db2.gz IKQRYZMCLVNHLZ-AFJIDDCJSA-N 0 1 484.665 7.356 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1 ZINC000000719214 553770963 /nfs/dbraw/zinc/77/09/63/553770963.db2.gz FUQXYRNPIYZOII-YUDQIZAISA-N 0 1 493.651 6.936 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N[C@@H]3c3cccc4ccccc43)C2)cc1OC ZINC000000781101 553779132 /nfs/dbraw/zinc/77/91/32/553779132.db2.gz LWVQULLXFUCDED-JCOAXYOVSA-N 0 1 476.576 6.837 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000000856606 553800585 /nfs/dbraw/zinc/80/05/85/553800585.db2.gz XGWZNXNOSBEPQS-HXUWFJFHSA-N 0 1 479.286 5.140 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC ZINC000000872448 553810517 /nfs/dbraw/zinc/81/05/17/553810517.db2.gz CQHHCJFZGWIXQF-SMSORMJASA-N 0 1 496.607 6.260 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cccc(-c2cn3ccccc3n2)c1 ZINC000000880445 553817455 /nfs/dbraw/zinc/81/74/55/553817455.db2.gz PLVPARCUHDWBRG-FOKLQQMPSA-N 0 1 471.152 5.983 50 30 JKEAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c1 ZINC000000893727 553830354 /nfs/dbraw/zinc/83/03/54/553830354.db2.gz VYYWWAXUPJIGOM-KPURRNSFSA-N 0 1 464.565 6.006 50 30 JKEAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000000893654 553830402 /nfs/dbraw/zinc/83/04/02/553830402.db2.gz ORYYMAKJEWDOAQ-PIIWDFAUSA-N 0 1 472.972 6.269 50 30 JKEAMN 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O=C(c1cccs1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000001100549 553907790 /nfs/dbraw/zinc/90/77/90/553907790.db2.gz NCHUXRRNBVZKOJ-SANMLTNESA-N 0 1 481.573 6.106 50 30 JKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000001117914 553910803 /nfs/dbraw/zinc/91/08/03/553910803.db2.gz RJUKOOWSLHKEOV-ZCYQVOJMSA-N 0 1 473.500 5.375 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000001117944 553910891 /nfs/dbraw/zinc/91/08/91/553910891.db2.gz QSDPOSGKYXWBTE-SANMLTNESA-N 0 1 483.495 5.776 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000001117974 553910917 /nfs/dbraw/zinc/91/09/17/553910917.db2.gz DYJXXSQJLIDGLD-XMMPIXPASA-N 0 1 471.534 5.699 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000001117969 553910921 /nfs/dbraw/zinc/91/09/21/553910921.db2.gz DYJXXSQJLIDGLD-DEOSSOPVSA-N 0 1 471.534 5.699 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000001119912 553911305 /nfs/dbraw/zinc/91/13/05/553911305.db2.gz RFJSMZITCZXKLY-HSZRJFAPSA-N 0 1 457.507 5.912 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000001143571 553915996 /nfs/dbraw/zinc/91/59/96/553915996.db2.gz MHERHELCSBWTSX-HSZRJFAPSA-N 0 1 497.378 5.874 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000001143563 553916002 /nfs/dbraw/zinc/91/60/02/553916002.db2.gz MHERHELCSBWTSX-QHCPKHFHSA-N 0 1 497.378 5.874 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001208720 553932762 /nfs/dbraw/zinc/93/27/62/553932762.db2.gz MPDQERDRGWEJSP-HXUWFJFHSA-N 0 1 479.286 5.140 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001211201 553933005 /nfs/dbraw/zinc/93/30/05/553933005.db2.gz OQRNTKBEUVJTSU-OLILMLBXSA-N 0 1 497.551 5.914 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000001211028 553933097 /nfs/dbraw/zinc/93/30/97/553933097.db2.gz YWQBQXPRWPIWCT-PIIWDFAUSA-N 0 1 483.524 5.524 50 30 JKEAMN Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2cc(Br)c3ccccc3c2O)cc1 ZINC000001228652 553936454 /nfs/dbraw/zinc/93/64/54/553936454.db2.gz VVXCXAPSPJUGEK-CVKSISIWSA-N 0 1 495.398 6.168 50 30 JKEAMN Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(Br)c1 ZINC000001237806 553937037 /nfs/dbraw/zinc/93/70/37/553937037.db2.gz SRPMAFQLMZSRPM-TYGLDRHGSA-N 0 1 494.414 5.922 50 30 JKEAMN O=C(C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(OC(F)F)cc1 ZINC000001265012 553938542 /nfs/dbraw/zinc/93/85/42/553938542.db2.gz IECAJIDQBHSWRM-UVVVPPGDSA-N 0 1 467.497 5.453 50 30 JKEAMN CC(C)Oc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001295271 553940746 /nfs/dbraw/zinc/94/07/46/553940746.db2.gz JUKBKVUANDXKQS-HSZRJFAPSA-N 0 1 472.507 6.179 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000001409625 553966560 /nfs/dbraw/zinc/96/65/60/553966560.db2.gz FMHIQCIVOOZAKF-CLYVBNDRSA-N 0 1 458.583 6.067 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000001409582 553966577 /nfs/dbraw/zinc/96/65/77/553966577.db2.gz OXZYGFKXDFQNSL-KCWXNJEJSA-N 0 1 471.000 6.959 50 30 JKEAMN Cc1ccc2c(c1)N(C(=O)C(C)C)[C@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001409182 553966593 /nfs/dbraw/zinc/96/65/93/553966593.db2.gz MTMONHXDULPPHE-PZGXJGMVSA-N 0 1 468.572 6.691 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)C(C)C)cc1 ZINC000001409176 553966655 /nfs/dbraw/zinc/96/66/55/553966655.db2.gz WSGRMZHZXFIYGB-WVXBCFDCSA-N 0 1 480.608 6.560 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1 ZINC000001411020 553966952 /nfs/dbraw/zinc/96/69/52/553966952.db2.gz WCZHKFOQEHNLIV-AREMUKBSSA-N 0 1 466.537 5.388 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(OC)c2)cc1 ZINC000001411025 553966963 /nfs/dbraw/zinc/96/69/63/553966963.db2.gz DMBKXEDWTTTWID-MHZLTWQESA-N 0 1 496.563 5.396 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000001413392 553967568 /nfs/dbraw/zinc/96/75/68/553967568.db2.gz CHLWXJSAMDPHEA-FQEVSTJZSA-N 0 1 454.885 5.548 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413445 553967802 /nfs/dbraw/zinc/96/78/02/553967802.db2.gz DZTILAIATTUNLD-RUZDIDTESA-N 0 1 470.500 5.137 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000001413491 553967965 /nfs/dbraw/zinc/96/79/65/553967965.db2.gz KCFWNLTVCFJWSH-AREMUKBSSA-N 0 1 482.536 5.006 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413523 553968373 /nfs/dbraw/zinc/96/83/73/553968373.db2.gz JGGOABNEQKOXFA-HHHXNRCGSA-N 0 1 496.563 5.396 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000001413506 553968377 /nfs/dbraw/zinc/96/83/77/553968377.db2.gz GDZFYWMSAKINEC-NDEPHWFRSA-N 0 1 494.591 6.121 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C)cc2)cc1 ZINC000001414686 553968383 /nfs/dbraw/zinc/96/83/83/553968383.db2.gz LJDTWMZGGBHCEZ-AREMUKBSSA-N 0 1 450.538 5.606 50 30 JKEAMN COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)C(=O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000001414690 553968388 /nfs/dbraw/zinc/96/83/88/553968388.db2.gz KMVABSXWMTXWAT-AREMUKBSSA-N 0 1 466.537 5.306 50 30 JKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(O)cc2)cc1 ZINC000001414727 553968638 /nfs/dbraw/zinc/96/86/38/553968638.db2.gz HTDTZQSWKVFISF-VWLOTQADSA-N 0 1 452.510 5.003 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC ZINC000001414708 553968668 /nfs/dbraw/zinc/96/86/68/553968668.db2.gz CWLGASDIMNNJLK-HHHXNRCGSA-N 0 1 496.563 5.315 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414736 553968693 /nfs/dbraw/zinc/96/86/93/553968693.db2.gz DJCDDOOOWKKQSW-RUZDIDTESA-N 0 1 470.500 5.137 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccnc1 ZINC000001414783 553969028 /nfs/dbraw/zinc/96/90/28/553969028.db2.gz NWNCIRXJHVNBHR-QHCPKHFHSA-N 0 1 457.917 5.037 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c(C)[nH]c4ccccc43)[C@H]2c2ccc(F)cc2)cc1 ZINC000001423447 553969752 /nfs/dbraw/zinc/96/97/52/553969752.db2.gz JDLDEVJUHIOLNN-SANMLTNESA-N 0 1 484.527 5.445 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000001451374 553974143 /nfs/dbraw/zinc/97/41/43/553974143.db2.gz UKUJVIWNXVPZSI-XMMPIXPASA-N 0 1 490.987 5.820 50 30 JKEAMN COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000001457420 553974761 /nfs/dbraw/zinc/97/47/61/553974761.db2.gz JFWNEBGRFMEARB-BCHFMIIMSA-N 0 1 492.497 6.158 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1C ZINC000001469767 553976895 /nfs/dbraw/zinc/97/68/95/553976895.db2.gz VOTXOORHPXFQSK-AREMUKBSSA-N 0 1 470.569 5.691 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000001469766 553976947 /nfs/dbraw/zinc/97/69/47/553976947.db2.gz VOTXOORHPXFQSK-SANMLTNESA-N 0 1 470.569 5.691 50 30 JKEAMN C=CC[NH+](CC=C)Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000001771781 553986913 /nfs/dbraw/zinc/98/69/13/553986913.db2.gz CQINOMIITKNALV-UHFFFAOYSA-N 0 1 481.470 6.637 50 30 JKEAMN Cc1cccc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c1C ZINC000001847187 553995484 /nfs/dbraw/zinc/99/54/84/553995484.db2.gz GMTWYFYRRYATDY-OGLMXYFKSA-N 0 1 454.599 6.783 50 30 JKEAMN Cc1cccc(OCCCn2cc(C=[NH+][N-]c3nc4ccccc4s3)c3ccccc32)c1C ZINC000001847187 553995486 /nfs/dbraw/zinc/99/54/86/553995486.db2.gz GMTWYFYRRYATDY-OGLMXYFKSA-N 0 1 454.599 6.783 50 30 JKEAMN COc1ccccc1OCCOc1c(OC)cc(C=NN=c2[nH]c3ccccc3s2)cc1OC ZINC000001859456 553997267 /nfs/dbraw/zinc/99/72/67/553997267.db2.gz XLOUMNGBTZDSEZ-WGOQTCKBSA-N 0 1 479.558 5.226 50 30 JKEAMN COc1ccccc1OCCOc1c(OC)cc(C=[NH+][N-]c2nc3ccccc3s2)cc1OC ZINC000001859456 553997269 /nfs/dbraw/zinc/99/72/69/553997269.db2.gz XLOUMNGBTZDSEZ-WGOQTCKBSA-N 0 1 479.558 5.226 50 30 JKEAMN Cc1c(C=NNc2nc3ccccc3s2)c2cc(C)ccc2n1CCOc1ccc(C)cc1C ZINC000001864583 553998615 /nfs/dbraw/zinc/99/86/15/553998615.db2.gz YLUQWLIWNWQTLI-STBIYBPSSA-N 0 1 468.626 7.010 50 30 JKEAMN Cc1c(C=[NH+][N-]c2nc3ccccc3s2)c2cc(C)ccc2n1CCOc1ccc(C)cc1C ZINC000001864583 553998619 /nfs/dbraw/zinc/99/86/19/553998619.db2.gz YLUQWLIWNWQTLI-STBIYBPSSA-N 0 1 468.626 7.010 50 30 JKEAMN O=C(NC(=Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1)Nc1ccccc1)c1ccccc1 ZINC000001865621 553998904 /nfs/dbraw/zinc/99/89/04/553998904.db2.gz UDRDFUMXZFLKPS-UHFFFAOYSA-N 0 1 489.988 5.245 50 30 JKEAMN Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3cc(Br)cc(Cl)c3O)ccc2o1 ZINC000001882738 554000386 /nfs/dbraw/zinc/00/03/86/554000386.db2.gz FZGVWYLXYXWSEM-KKMKTNMSSA-N 0 1 493.744 7.226 50 30 JKEAMN COc1ccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Cl)c4O)cc3)nc2c1 ZINC000001885559 554000781 /nfs/dbraw/zinc/00/07/81/554000781.db2.gz NIXXGZFVFMTGQJ-BHGWPJFGSA-N 0 1 457.711 6.376 50 30 JKEAMN CCOc1cc(C=Nn2c(=S)[nH]nc2C(F)(F)F)ccc1OCc1c(F)cccc1Cl ZINC000001918455 554004571 /nfs/dbraw/zinc/00/45/71/554004571.db2.gz SLCZOGNFEMNYKW-YCPBAFNGSA-N 0 1 474.867 5.238 50 30 JKEAMN O=C(Nc1cccc2ccccc21)c1cccc(/N=C/c2cc(Cl)cc(Br)c2O)c1 ZINC000001924044 554004853 /nfs/dbraw/zinc/00/48/53/554004853.db2.gz JJYGORMTJCQIEA-MZJWZYIUSA-N 0 1 479.761 6.964 50 30 JKEAMN CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3o2)cc1 ZINC000001922551 554004965 /nfs/dbraw/zinc/00/49/65/554004965.db2.gz LIPNLVBMQGOIMZ-BRJLIKDPSA-N 0 1 470.754 6.433 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(Br)cc1F ZINC000001957535 554007922 /nfs/dbraw/zinc/00/79/22/554007922.db2.gz XWDHINTXZVRYNP-NGYBGAFCSA-N 0 1 451.915 5.569 50 30 JKEAMN Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)c1 ZINC000002071752 554022424 /nfs/dbraw/zinc/02/24/24/554022424.db2.gz CDRURIKHPFZRBT-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN Cc1ccc2oc(-c3cc(/N=C/c4cc(Cl)cc(Br)c4O)ccc3Cl)nc2c1 ZINC000002186549 554083216 /nfs/dbraw/zinc/08/32/16/554083216.db2.gz HJYWCTYMOZLAMC-KIBLKLHPSA-N 0 1 476.157 7.329 50 30 JKEAMN CCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002259239 554120702 /nfs/dbraw/zinc/12/07/02/554120702.db2.gz GFPOILCIZSXVCS-GPEOYYQRSA-N 0 1 480.431 6.237 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000002284452 554132394 /nfs/dbraw/zinc/13/23/94/554132394.db2.gz QLGNLOPKJYYHQI-ONMJQXTISA-N 0 1 458.631 5.930 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1cc(Br)c2c(c1)OCCO2 ZINC000002292139 554136225 /nfs/dbraw/zinc/13/62/25/554136225.db2.gz SDDQLVARKKBKKT-FBCYGCLPSA-N 0 1 491.961 5.202 50 30 JKEAMN C[C@@]12CN(Cc3cccc(Br)c3)C[C@@](C)(CN(C(=S)Nc3ccccc3)C1)C2 ZINC000002485226 554226403 /nfs/dbraw/zinc/22/64/03/554226403.db2.gz IOFWDHJQDPSCBY-ZRZAMGCNSA-N 0 1 458.469 5.601 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000002501860 554229277 /nfs/dbraw/zinc/22/92/77/554229277.db2.gz CQXFEXYVQLLLEB-QFIPXVFZSA-N 0 1 469.522 5.422 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000002509417 554231539 /nfs/dbraw/zinc/23/15/39/554231539.db2.gz FKVIGHYUJNJWOJ-FBCYGCLPSA-N 0 1 488.592 5.000 50 30 JKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OCCOc1cccc(C)c1 ZINC000002590935 554238834 /nfs/dbraw/zinc/23/88/34/554238834.db2.gz JBLPKKIWFLLGEF-WGOQTCKBSA-N 0 1 463.559 5.526 50 30 JKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OCCOc1cccc(C)c1 ZINC000002590935 554238836 /nfs/dbraw/zinc/23/88/36/554238836.db2.gz JBLPKKIWFLLGEF-WGOQTCKBSA-N 0 1 463.559 5.526 50 30 JKEAMN CCc1ccc(OCCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000002594307 554239654 /nfs/dbraw/zinc/23/96/54/554239654.db2.gz BOOXBYKVXHQFDC-MTDXEUNCSA-N 0 1 454.599 6.729 50 30 JKEAMN CCn1c2ccccc2c2cc(C=Nn3c(=S)[nH]nc3-c3ccc(OC)c(OC)c3)ccc21 ZINC000002612889 554240703 /nfs/dbraw/zinc/24/07/03/554240703.db2.gz AHJGRQLGQJNBPQ-CVKSISIWSA-N 0 1 457.559 5.635 50 30 JKEAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C#N)c3)c(Cl)cc2Cl)c1 ZINC000002648254 554265293 /nfs/dbraw/zinc/26/52/93/554265293.db2.gz ACLHZAKUDQJKGT-UHFFFAOYSA-N 0 1 460.342 5.227 50 30 JKEAMN COc1ccc(C=Nn2c(=S)[nH]nc2C(F)F)cc1COc1ccc(Cl)cc1Cl ZINC000002791570 554347067 /nfs/dbraw/zinc/34/70/67/554347067.db2.gz LXACWVYZDQHYMP-LIMNOBDPSA-N 0 1 459.305 5.281 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000004126047 554475736 /nfs/dbraw/zinc/47/57/36/554475736.db2.gz CQDMDIVZDVMDOP-VWLOTQADSA-N 0 1 456.542 5.266 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000005921386 554496188 /nfs/dbraw/zinc/49/61/88/554496188.db2.gz GUXDWSTZCNJUBK-NRFANRHFSA-N 0 1 472.324 5.764 50 30 JKEAMN O=C(C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000006142198 554508361 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/nfs/dbraw/zinc/84/82/06/554848206.db2.gz HNXGIBAVAOOHCN-AWSUPERCSA-N 0 1 459.597 5.649 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(OC)cc3)sc2c1 ZINC000008996256 554856555 /nfs/dbraw/zinc/85/65/55/554856555.db2.gz RJWIBIQGQMZJEL-OAQYLSRUSA-N 0 1 460.511 5.243 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccc(OC)c3OC)sc2c1 ZINC000008996872 554858295 /nfs/dbraw/zinc/85/82/95/554858295.db2.gz LJOALBWPUWLQIN-NRFANRHFSA-N 0 1 490.537 5.252 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Br)c2)cc1 ZINC000009007940 554861547 /nfs/dbraw/zinc/86/15/47/554861547.db2.gz INYCUNUXTXTFGU-IBGZPJMESA-N 0 1 499.386 5.476 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000009008055 554862182 /nfs/dbraw/zinc/86/21/82/554862182.db2.gz XXTRXJXHYOWVIG-FQEVSTJZSA-N 0 1 482.895 6.011 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000009008072 554862212 /nfs/dbraw/zinc/86/22/12/554862212.db2.gz DAUPIKPDQLHIGW-AREMUKBSSA-N 0 1 488.056 7.353 50 30 biogenic,in-vitro JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000009425697 555190587 /nfs/dbraw/zinc/19/05/87/555190587.db2.gz VTEVKPLKNQIQAR-JIYROHSKSA-N 0 1 496.626 7.615 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009463087 555232708 /nfs/dbraw/zinc/23/27/08/555232708.db2.gz VGOWEVQJMDIRDA-CRICUBBOSA-N 0 1 473.956 5.484 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(C)o3)sc2c1 ZINC000009464201 555235892 /nfs/dbraw/zinc/23/58/92/555235892.db2.gz UKTDVTISQBTRSB-NRFANRHFSA-N 0 1 478.957 6.196 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(OC(C)C)cc2)no1 ZINC000009507124 555291093 /nfs/dbraw/zinc/29/10/93/555291093.db2.gz CMEQQSUMIQJFNF-HSZRJFAPSA-N 0 1 458.470 5.299 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000009659317 555363179 /nfs/dbraw/zinc/36/31/79/555363179.db2.gz BQNPOLCBZCCWGQ-UZTOHYMASA-N 0 1 477.391 6.914 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccco3)C2)cc1OC ZINC000009659797 555363437 /nfs/dbraw/zinc/36/34/37/555363437.db2.gz XORHDAIAVIRLJQ-XRHLQHRESA-N 0 1 458.514 5.217 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000013548740 555490542 /nfs/dbraw/zinc/49/05/42/555490542.db2.gz OLONXPOHKUYEKD-QFIPXVFZSA-N 0 1 493.357 5.414 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000013551709 555492259 /nfs/dbraw/zinc/49/22/59/555492259.db2.gz GOHHLWMKZMZIGR-JOCHJYFZSA-N 0 1 483.351 5.484 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000013553022 555493250 /nfs/dbraw/zinc/49/32/50/555493250.db2.gz WXTQMLBTFKMODH-NRFANRHFSA-N 0 1 452.894 5.208 50 30 JKEAMN CC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000013564224 555498842 /nfs/dbraw/zinc/49/88/42/555498842.db2.gz IMEZFMQJVFMPCR-SVCNVDQGSA-N 0 1 452.377 5.456 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@@H]3c3ccccc3)cc2)c1 ZINC000013570247 555508364 /nfs/dbraw/zinc/50/83/64/555508364.db2.gz USGILFFYYLPJEK-HHHXNRCGSA-N 0 1 479.532 5.946 50 30 JKEAMN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc([N+](=O)[O-])c1O ZINC000019848465 555509747 /nfs/dbraw/zinc/50/97/47/555509747.db2.gz ALVDXQKOAUSYES-HWRSSNJWSA-N 0 1 491.931 5.942 50 30 JKEAMN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc([N+](=O)[O-])c1O ZINC000019848467 555509814 /nfs/dbraw/zinc/50/98/14/555509814.db2.gz ALVDXQKOAUSYES-PWECECGKSA-N 0 1 491.931 5.942 50 30 JKEAMN CCCC1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O ZINC000013581979 555520096 /nfs/dbraw/zinc/52/00/96/555520096.db2.gz NYOIJESFMXBTOU-HMUJPTBDSA-N 0 1 461.587 5.491 50 30 JKEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)c(Cl)c2)N2CCc3ccccc3C2)n1 ZINC000013582482 555520226 /nfs/dbraw/zinc/52/02/26/555520226.db2.gz VJCPCVJYPHSBFM-UHFFFAOYSA-N 0 1 469.376 5.459 50 30 JKEAMN CC(C)(C)c1cc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000013617728 555537316 /nfs/dbraw/zinc/53/73/16/555537316.db2.gz PKJACNDEBGTAPJ-GZZLJNBRSA-N 0 1 483.700 6.728 50 30 JKEAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4cc(Br)ccc4o2)O3)C1 ZINC000013653936 555554380 /nfs/dbraw/zinc/55/43/80/555554380.db2.gz WXVVYZNDIKTCAH-ZSDIVRTKSA-N 0 1 482.374 5.995 50 30 JKEAMN C[C@@H]1C[C@H](C)C[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc(Cl)cc4c2OCOC4)O3)C1 ZINC000013654777 555554589 /nfs/dbraw/zinc/55/45/89/555554589.db2.gz ZIQZLVSIQXOILV-GNSIWFOTSA-N 0 1 455.938 5.006 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020057964 555621364 /nfs/dbraw/zinc/62/13/64/555621364.db2.gz YKIHJURQRMLENS-NDEPHWFRSA-N 0 1 498.623 5.276 50 30 JKEAMN N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000013810460 555625466 /nfs/dbraw/zinc/62/54/66/555625466.db2.gz ZCAXLTVJBGHRHW-DEOSSOPVSA-N 0 1 467.617 5.145 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCCC)cc1 ZINC000013882098 555640287 /nfs/dbraw/zinc/64/02/87/555640287.db2.gz TYQZQOOJDJNSSL-LJAQVGFWSA-N 0 1 474.645 7.199 50 30 JKEAMN CC1(C)Oc2ccccc2[C@@H]2O[C@@](C)(C#CCN(Cc3ccccc3)Cc3ccccc3)CC[C@@H]21 ZINC000020111568 555648470 /nfs/dbraw/zinc/64/84/70/555648470.db2.gz FICLHMZQURYKDA-LVCXIWIQSA-N 0 1 465.637 6.790 50 30 biogenic JKEAMN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(O)c(-c4nc5ccccc5s4)c3)o2)c1 ZINC000013940404 555650908 /nfs/dbraw/zinc/65/09/08/555650908.db2.gz NWSMQKKPPCQGAW-LGJNPRDNSA-N 0 1 475.913 7.241 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020131520 555656407 /nfs/dbraw/zinc/65/64/07/555656407.db2.gz SSRDSZWTHLTMQG-MHZLTWQESA-N 0 1 484.596 5.022 50 30 JKEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020131523 555656507 /nfs/dbraw/zinc/65/65/07/555656507.db2.gz SSRDSZWTHLTMQG-HHHXNRCGSA-N 0 1 484.596 5.022 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCOC)cc1OC ZINC000014077399 555680867 /nfs/dbraw/zinc/68/08/67/555680867.db2.gz SEYACWLRMDAUJR-QHCPKHFHSA-N 0 1 487.980 5.142 50 30 JKEAMN CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000020175579 555681609 /nfs/dbraw/zinc/68/16/09/555681609.db2.gz PINDMLNUGUJJRF-HSZRJFAPSA-N 0 1 451.523 5.538 50 30 JKEAMN CCOc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 ZINC000020176375 555682231 /nfs/dbraw/zinc/68/22/31/555682231.db2.gz XMDGCROZNXQRPV-ZDUSSCGKSA-N 0 1 450.391 6.454 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020232293 555722313 /nfs/dbraw/zinc/72/23/13/555722313.db2.gz OLPBTMQKJSWILP-MUUNZHRXSA-N 0 1 498.623 5.276 50 30 JKEAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nc3ccccc3s2)C1 ZINC000023153848 556025001 /nfs/dbraw/zinc/02/50/01/556025001.db2.gz LANYMKOMXOIZKT-UHFFFAOYSA-N 0 1 458.612 5.915 50 30 JKEAMN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl ZINC000015859825 556031416 /nfs/dbraw/zinc/03/14/16/556031416.db2.gz QZXLABFQFVQTSW-LBPRGKRZSA-N 0 1 459.358 5.455 50 30 JKEAMN Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859823 556031425 /nfs/dbraw/zinc/03/14/25/556031425.db2.gz ATLDHJZBWWNWOD-LBPRGKRZSA-N 0 1 459.358 5.455 50 30 JKEAMN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859822 556031456 /nfs/dbraw/zinc/03/14/56/556031456.db2.gz ATLDHJZBWWNWOD-GFCCVEGCSA-N 0 1 459.358 5.455 50 30 JKEAMN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000012555151 556040461 /nfs/dbraw/zinc/04/04/61/556040461.db2.gz AAYVOXQBHNQDIC-UHFFFAOYSA-N 0 1 479.602 5.586 50 30 JKEAMN CC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012574565 556074524 /nfs/dbraw/zinc/07/45/24/556074524.db2.gz VYPXWTVSSRQWNS-OGLMXYFKSA-N 0 1 456.550 5.479 50 30 JKEAMN CN(C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000012628473 556092953 /nfs/dbraw/zinc/09/29/53/556092953.db2.gz MZRFXPHVZPMTEA-SIKLNZKXSA-N 0 1 466.990 5.283 50 30 JKEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000024192997 556126094 /nfs/dbraw/zinc/12/60/94/556126094.db2.gz MOYQSMIMNZFYPR-AREMUKBSSA-N 0 1 482.536 5.365 50 30 JKEAMN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000016212732 556129218 /nfs/dbraw/zinc/12/92/18/556129218.db2.gz PZAHWHZVEBIDPL-VWLOTQADSA-N 0 1 481.589 5.187 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1F ZINC000016713710 556154683 /nfs/dbraw/zinc/15/46/83/556154683.db2.gz CDSQNKHXRGWTLN-RUZDIDTESA-N 0 1 474.532 5.342 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OCC)c2)cc1 ZINC000016734364 556155672 /nfs/dbraw/zinc/15/56/72/556155672.db2.gz KZOHMHPJKNOPOQ-XMMPIXPASA-N 0 1 459.498 5.022 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000016734804 556155884 /nfs/dbraw/zinc/15/58/84/556155884.db2.gz LDPKOZPHDNLDGC-RUZDIDTESA-N 0 1 482.561 5.501 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc4ccccc43)ccc2O1 ZINC000016750473 556156854 /nfs/dbraw/zinc/15/68/54/556156854.db2.gz APRXQKDSQFNQJP-MYUZEXMDSA-N 0 1 476.532 5.337 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000016805688 556161641 /nfs/dbraw/zinc/16/16/41/556161641.db2.gz DPAQOVMQXXUAHN-QFIPXVFZSA-N 0 1 466.896 5.051 50 30 JKEAMN COc1cc(-c2n[nH]c(=S)n2N=Cc2cccc(OCc3ccccc3)c2)cc(OC)c1OC ZINC000017014623 556204206 /nfs/dbraw/zinc/20/42/06/556204206.db2.gz JTAMLKGMLSCBSE-CVKSISIWSA-N 0 1 476.558 5.095 50 30 JKEAMN CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)cc1 ZINC000017028295 556207396 /nfs/dbraw/zinc/20/73/96/556207396.db2.gz MYNXSGUKFHALKI-DFXYEROKSA-N 0 1 482.580 6.014 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000017028086 556207410 /nfs/dbraw/zinc/20/74/10/556207410.db2.gz QLULLKBXOCBXAT-DFXYEROKSA-N 0 1 484.596 6.769 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000017027757 556207419 /nfs/dbraw/zinc/20/74/19/556207419.db2.gz WYEZSJGZOFQIJS-PMERELPUSA-N 0 1 494.635 7.065 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H]2c2cccc(Cl)c2)C1 ZINC000017138566 556224394 /nfs/dbraw/zinc/22/43/94/556224394.db2.gz CBMQJGUOQVJRKN-MUUNZHRXSA-N 0 1 471.000 6.726 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccco4)[C@H]3c3cccc4ccccc43)ccc2O1 ZINC000026842309 556264514 /nfs/dbraw/zinc/26/45/14/556264514.db2.gz YMAKGQRIHPBHER-QUGAMOGWSA-N 0 1 465.505 5.535 50 30 JKEAMN COc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2sc3c(c2C#N)CCCC3)cc1 ZINC000027520352 556283348 /nfs/dbraw/zinc/28/33/48/556283348.db2.gz PMNGIRKBOAUPDT-GNVQSUKOSA-N 0 1 471.538 5.444 50 30 JKEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2ccc(Cl)cc2)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000018100769 556287810 /nfs/dbraw/zinc/28/78/10/556287810.db2.gz LPKBWDKGXRTQIT-UHFFFAOYSA-N 0 1 496.402 5.714 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000018118774 556290041 /nfs/dbraw/zinc/29/00/41/556290041.db2.gz JAYOIJZNJHJHCR-WTYVLRPYSA-N 0 1 472.972 6.269 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000018122797 556291240 /nfs/dbraw/zinc/29/12/40/556291240.db2.gz VUXHMNONJIHLCR-XDBZFTIUSA-N 0 1 472.541 5.607 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000018181639 556299737 /nfs/dbraw/zinc/29/97/37/556299737.db2.gz FGPXRJTZMFGGFV-SSEXGKCCSA-N 0 1 480.608 6.819 50 30 JKEAMN N#Cc1ccccc1COc1ccc(CN=Nc2ccc3ccccc3n2)cc1Br ZINC000018193262 556301631 /nfs/dbraw/zinc/30/16/31/556301631.db2.gz ZZBHSRGJAWBSHY-JFLMPSFJSA-N 0 1 457.331 5.894 50 30 JKEAMN COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000018196102 556302775 /nfs/dbraw/zinc/30/27/75/556302775.db2.gz WOYRHDHDPYWAPU-QFIPXVFZSA-N 0 1 474.517 5.004 50 30 JKEAMN COc1cc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000018196109 556302802 /nfs/dbraw/zinc/30/28/02/556302802.db2.gz JBTYQUINQAUSJN-QHCPKHFHSA-N 0 1 488.544 5.312 50 30 JKEAMN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)n1nc(SCc3ccccn3)nc1N2 ZINC000018198811 556305945 /nfs/dbraw/zinc/30/59/45/556305945.db2.gz CGRNCSUMCQNKKJ-LJQANCHMSA-N 0 1 458.374 5.294 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000018276136 556318306 /nfs/dbraw/zinc/31/83/06/556318306.db2.gz CEBSZZPTBSXEMS-HHHXNRCGSA-N 0 1 483.637 6.709 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1 ZINC000018286769 556319274 /nfs/dbraw/zinc/31/92/74/556319274.db2.gz MLASCQDFELZPIC-KPURRNSFSA-N 0 1 465.597 6.300 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000018286338 556319364 /nfs/dbraw/zinc/31/93/64/556319364.db2.gz SOIPOQINGZPRQF-MHZLTWQESA-N 0 1 497.620 6.429 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccnc2)cc1OC ZINC000018323904 556319590 /nfs/dbraw/zinc/31/95/90/556319590.db2.gz BUHHCAPCQHGITF-KCWXNJEJSA-N 0 1 495.579 5.409 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cccnc2)cc1OC ZINC000018323911 556319595 /nfs/dbraw/zinc/31/95/95/556319595.db2.gz BUHHCAPCQHGITF-LGGPFLRQSA-N 0 1 495.579 5.409 50 30 JKEAMN CSc1nc(-c2ccccc2)c(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019820450 556389679 /nfs/dbraw/zinc/38/96/79/556389679.db2.gz SJBMTTTYQAAXEE-UHFFFAOYSA-N 0 1 477.637 5.649 50 30 JKEAMN CCCC1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000031879825 556409354 /nfs/dbraw/zinc/40/93/54/556409354.db2.gz XBHHYMRFRYYHFR-GJYMLHQRSA-N 0 1 461.587 5.491 50 30 JKEAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC=CC(=O)c3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000006166352 562936953 /nfs/dbraw/zinc/93/69/53/562936953.db2.gz CEAULKPWMOLQAC-MDZDMXLPSA-N 0 1 477.373 5.010 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1 ZINC000008384325 562939040 /nfs/dbraw/zinc/93/90/40/562939040.db2.gz UKBQILWQTWFOAB-HXUWFJFHSA-N 0 1 480.542 5.127 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(OCc3ccccc3)c2)o1 ZINC000008384322 569589308 /nfs/dbraw/zinc/58/93/08/569589308.db2.gz YOVAPQGBWMROTD-QFIPXVFZSA-N 0 1 472.522 5.406 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008440073 569589882 /nfs/dbraw/zinc/58/98/82/569589882.db2.gz LFEOLSIYFSHSOH-HHHXNRCGSA-N 0 1 484.596 5.362 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440092 569590006 /nfs/dbraw/zinc/59/00/06/569590006.db2.gz IYDYBDFPVWRZSW-MHZLTWQESA-N 0 1 483.608 6.204 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(CC)cc2)cc1 ZINC000008440126 569590022 /nfs/dbraw/zinc/59/00/22/569590022.db2.gz OZXWBGOAEHKFQW-MHZLTWQESA-N 0 1 469.581 5.859 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000008440100 569590047 /nfs/dbraw/zinc/59/00/47/569590047.db2.gz FPQSBUHEOIJATM-NDEPHWFRSA-N 0 1 499.607 6.085 50 30 JKEAMN CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2cccs2)nc1C ZINC000008441127 569590272 /nfs/dbraw/zinc/59/02/72/569590272.db2.gz LUDBZNAFBTZHPV-GOSISDBHSA-N 0 1 464.524 5.245 50 30 JKEAMN CN(C)c1ccc([C@@H]2NC[C@H](CSc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)O2)cc1 ZINC000055212186 569591283 /nfs/dbraw/zinc/59/12/83/569591283.db2.gz NHAFLDDHDMHTGN-IIBYNOLFSA-N 0 1 490.576 5.546 50 30 JKEAMN COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)ccc1O ZINC000008464180 569591787 /nfs/dbraw/zinc/59/17/87/569591787.db2.gz OFXIUARDXBRISC-NRFANRHFSA-N 0 1 469.415 5.203 50 30 JKEAMN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000008694717 569593350 /nfs/dbraw/zinc/59/33/50/569593350.db2.gz WVNIZXFKUSIINO-NDEPHWFRSA-N 0 1 497.664 7.099 50 30 JKEAMN C=CCSc1ncc(CN=Nc2c(Cl)cc(Cl)cc2Cl)n1Cc1ccccc1 ZINC000008733674 569601628 /nfs/dbraw/zinc/60/16/28/569601628.db2.gz GJZSIQXHKDUCFS-BRJLIKDPSA-N 0 1 451.810 6.616 50 30 JKEAMN O=C(Nc1ccc(Cl)cc1)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000064874235 569641487 /nfs/dbraw/zinc/64/14/87/569641487.db2.gz SGGNAZDSWQEKJG-NRFANRHFSA-N 0 1 487.774 6.118 50 30 JKEAMN O=C(Nc1ccc(Cl)cc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1c(Cl)cccc1Cl ZINC000064874243 569641513 /nfs/dbraw/zinc/64/15/13/569641513.db2.gz PRFVCDYORWGNEU-OAQYLSRUSA-N 0 1 487.774 6.118 50 30 JKEAMN CCOc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2c(Cl)cccc2Cl)cc1 ZINC000064874246 569641541 /nfs/dbraw/zinc/64/15/41/569641541.db2.gz IGFQEDQQOZDFKS-HSZRJFAPSA-N 0 1 497.382 5.863 50 30 JKEAMN O=C(Nc1ccccc1)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1c(Cl)cccc1Cl ZINC000064874238 569641591 /nfs/dbraw/zinc/64/15/91/569641591.db2.gz IBCSWALITQVBAQ-OAQYLSRUSA-N 0 1 453.329 5.464 50 30 JKEAMN O=C(c1ccco1)N1CCN(c2ccc(/N=C/c3cc(Cl)cc(Cl)c3O)cc2Cl)CC1 ZINC000067207142 569678213 /nfs/dbraw/zinc/67/82/13/569678213.db2.gz RCACAZFMCXJVRY-LGJNPRDNSA-N 0 1 478.763 5.658 50 30 JKEAMN Cc1cc(C)c(/N=C2\[C@H](N3CCCCC3)C3(CCCCC3)C(=S)N2c2ccc(F)cc2)c(C)c1 ZINC000071405903 569697122 /nfs/dbraw/zinc/69/71/22/569697122.db2.gz XEVCNSYMTAALKX-DJDJECJDSA-N 0 1 477.693 7.434 50 30 JKEAMN CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C#N)cc1 ZINC000035844992 569715779 /nfs/dbraw/zinc/71/57/79/569715779.db2.gz YAFSHAKMRBHZOL-UHFFFAOYSA-N 0 1 457.618 5.723 50 30 JKEAMN FC(F)(F)c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]n1 ZINC000095537665 569726015 /nfs/dbraw/zinc/72/60/15/569726015.db2.gz UBYJCLQWBVLKJL-UHFFFAOYSA-N 0 1 454.108 5.624 50 30 JKEAMN CCCCCCCCC(=O)N(C[C@H](C)/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000095671104 569728456 /nfs/dbraw/zinc/72/84/56/569728456.db2.gz QLJOKWBNPKJPNB-SANMLTNESA-N 0 1 469.673 8.249 50 30 JKEAMN CCCCCCCCCCC(=O)N(C[C@H](C)/C(=N\c1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000096922497 569743718 /nfs/dbraw/zinc/74/37/18/569743718.db2.gz VKVYHILPGZBNRY-NDEPHWFRSA-N 0 1 497.727 9.029 50 30 JKEAMN CCCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000097953052 569747494 /nfs/dbraw/zinc/74/74/94/569747494.db2.gz WJDYQOAGXJLBOE-DEOSSOPVSA-N 0 1 485.632 5.073 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccc(CCCC)cc3)S2)cc1 ZINC000097959791 569747920 /nfs/dbraw/zinc/74/79/20/569747920.db2.gz SDIQOFCPXGDYOX-MUXFTLNZSA-N 0 1 479.690 6.543 50 30 JKEAMN COc1cc(/N=C/c2cc(Cl)cc(Cl)c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000098086859 569750544 /nfs/dbraw/zinc/75/05/44/569750544.db2.gz BJGKJXQGWFAKIW-RPPGKUMJSA-N 0 1 455.297 6.457 50 30 JKEAMN COc1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000098087274 569750557 /nfs/dbraw/zinc/75/05/57/569750557.db2.gz MCBYSCXOAXSJNR-RPPGKUMJSA-N 0 1 499.748 6.566 50 30 JKEAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000100211835 569755436 /nfs/dbraw/zinc/75/54/36/569755436.db2.gz XCCHPQGUKAWWKC-HOGKFDNTSA-N 0 1 479.891 5.282 50 30 JKEAMN CCCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2O)S/C1=N/c1ccc(OCC)cc1 ZINC000100259695 569756440 /nfs/dbraw/zinc/75/64/40/569756440.db2.gz RVHQYCPUBGWPPH-USFSGSQCSA-N 0 1 495.826 6.221 50 30 JKEAMN O=C(Nc1ccc(C(F)(F)F)cc1)C(N=Nc1ccc(C(F)(F)F)cc1)C(=O)C(F)(F)F ZINC000100405158 569759241 /nfs/dbraw/zinc/75/92/41/569759241.db2.gz RXGKWWPRWYQXRP-VVEOGCPPSA-N 0 1 471.279 5.262 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000100457023 569761552 /nfs/dbraw/zinc/76/15/52/569761552.db2.gz MKQWKLVQHWTUOW-LGJNPRDNSA-N 0 1 489.251 7.136 50 30 JKEAMN CCOc1ccc([N-][NH+]=C2C=CC(=O)C(C=NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])=C2)cc1 ZINC000100469230 569761743 /nfs/dbraw/zinc/76/17/43/569761743.db2.gz YENQGRJLIDXWRH-OQCIYUAISA-N 0 1 450.411 5.469 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)Cc1ccccc1 ZINC000036316207 569762353 /nfs/dbraw/zinc/76/23/53/569762353.db2.gz OENWHQJLFQNDGX-AREMUKBSSA-N 0 1 483.612 5.445 50 30 JKEAMN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4cc(Cl)cc(Br)c4O)c3)oc2c1 ZINC000100503041 569762918 /nfs/dbraw/zinc/76/29/18/569762918.db2.gz XBWPFEDNJXCPFI-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN Cc1ccc2oc(-c3cccc(/N=C/c4cc(Br)cc(Br)c4O)c3)nc2c1 ZINC000100502883 569762928 /nfs/dbraw/zinc/76/29/28/569762928.db2.gz WEYVYXVRINQPPW-BHGWPJFGSA-N 0 1 486.163 6.784 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036316492 569763129 /nfs/dbraw/zinc/76/31/29/569763129.db2.gz FZTLDFUKPGVRFJ-QHCPKHFHSA-N 0 1 479.596 5.142 50 30 JKEAMN CCOc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)c1O ZINC000100524022 569763517 /nfs/dbraw/zinc/76/35/17/569763517.db2.gz SZNPFVOYGORCIA-OPEKNORGSA-N 0 1 487.737 6.471 50 30 JKEAMN CCc1cccc([C@@H](C)CC)c1NC(=O)C(C(C)=O)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000100721912 569767805 /nfs/dbraw/zinc/76/78/05/569767805.db2.gz NGYBPWUWCBBVPM-VBKZILBWSA-N 0 1 451.950 5.478 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C(C)C ZINC000036346518 569769985 /nfs/dbraw/zinc/76/99/85/569769985.db2.gz QKZGDDYURGXCSF-XMMPIXPASA-N 0 1 463.622 5.309 50 30 JKEAMN C=CCC[C@H](O)CN(Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1)C1CC1 ZINC000036346728 569770624 /nfs/dbraw/zinc/77/06/24/569770624.db2.gz GIMZUJFJBDHHKQ-QHCPKHFHSA-N 0 1 453.533 5.543 50 30 JKEAMN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)Cc1ccccc1 ZINC000036346804 569770769 /nfs/dbraw/zinc/77/07/69/569770769.db2.gz XWIGUNKSARICTR-HHHXNRCGSA-N 0 1 495.623 5.201 50 30 JKEAMN CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000100821793 569771495 /nfs/dbraw/zinc/77/14/95/569771495.db2.gz LSMWGHQKAFWPBQ-UHFFFAOYSA-N 0 1 474.535 5.577 50 30 JKEAMN CCCCOc1ccccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000100982201 569778496 /nfs/dbraw/zinc/77/84/96/569778496.db2.gz RFJVSISNBNRACS-IVMFAJHQSA-N 0 1 473.598 6.030 50 30 JKEAMN Cc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Br)cc(Br)c1O ZINC000101055224 569780607 /nfs/dbraw/zinc/78/06/07/569780607.db2.gz LBLMJIVKSHSZGL-BHGWPJFGSA-N 0 1 486.163 6.784 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000101100192 569782701 /nfs/dbraw/zinc/78/27/01/569782701.db2.gz VKRRTFXDWNIFNB-LFVOPCPISA-N 0 1 469.722 5.124 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000101100193 569782720 /nfs/dbraw/zinc/78/27/20/569782720.db2.gz VKRRTFXDWNIFNB-WOOAAIBNSA-N 0 1 469.722 5.124 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2cccc(Br)c2)no1 ZINC000101101621 569782875 /nfs/dbraw/zinc/78/28/75/569782875.db2.gz FUUMJPKEAOJIGY-NHFXJNLRSA-N 0 1 479.286 5.118 50 30 JKEAMN O=C(c1cc2ccccc2o1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Br)c1 ZINC000101101342 569782911 /nfs/dbraw/zinc/78/29/11/569782911.db2.gz JBZFVRJAPFHHRU-MOBKVPTQSA-N 0 1 489.325 5.212 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000101287081 569789359 /nfs/dbraw/zinc/78/93/59/569789359.db2.gz ZBQLZEOHKRJZBH-JBCNATCCSA-N 0 1 485.323 5.481 50 30 JKEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000101294179 569790066 /nfs/dbraw/zinc/79/00/66/569790066.db2.gz SCHHLPYPDPCFTR-ZLYDLHQSSA-N 0 1 481.548 5.197 50 30 JKEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000101873017 569806757 /nfs/dbraw/zinc/80/67/57/569806757.db2.gz UQYPXOLNWMVDDB-AREMUKBSSA-N 0 1 495.501 5.376 50 30 JKEAMN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102169740 569810609 /nfs/dbraw/zinc/81/06/09/569810609.db2.gz OUHVLFFLVJZTRA-HOGKFDNTSA-N 0 1 491.415 5.012 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102856695 569824564 /nfs/dbraw/zinc/82/45/64/569824564.db2.gz COQMXGVIRIPUEO-MRJHHRETSA-N 0 1 494.931 5.724 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102859575 569824841 /nfs/dbraw/zinc/82/48/41/569824841.db2.gz DKPTWGHGJIJCJA-YDJIHCHBSA-N 0 1 464.905 5.715 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102866399 569825734 /nfs/dbraw/zinc/82/57/34/569825734.db2.gz SQYBUNUHMAZTQM-LFVOPCPISA-N 0 1 450.903 5.477 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102876038 569826463 /nfs/dbraw/zinc/82/64/63/569826463.db2.gz BZEVNNFCKFMRSS-JVJOXMINSA-N 0 1 499.563 5.039 50 30 JKEAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102875902 569826478 /nfs/dbraw/zinc/82/64/78/569826478.db2.gz BQZACEOXTHRFNI-NHFXJNLRSA-N 0 1 467.930 5.205 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102927690 569827034 /nfs/dbraw/zinc/82/70/34/569827034.db2.gz CDQWSMFJDQMGHD-YREDKMEYSA-N 0 1 497.591 5.463 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000102928384 569827069 /nfs/dbraw/zinc/82/70/69/569827069.db2.gz KRIWSMLYXDVXLZ-NHFXJNLRSA-N 0 1 499.748 5.132 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102929057 569827715 /nfs/dbraw/zinc/82/77/15/569827715.db2.gz HBYFLEHSMJXVTC-WOOAAIBNSA-N 0 1 450.516 5.432 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000102929930 569827814 /nfs/dbraw/zinc/82/78/14/569827814.db2.gz PDMFHGSMRZCRSY-WOOAAIBNSA-N 0 1 477.523 5.201 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102929984 569828117 /nfs/dbraw/zinc/82/81/17/569828117.db2.gz XGXZLZCGDGDMAQ-LFVOPCPISA-N 0 1 494.569 5.145 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102933373 569829003 /nfs/dbraw/zinc/82/90/03/569829003.db2.gz NAJWDYRWYFECCW-JBCNATCCSA-N 0 1 478.932 6.024 50 30 JKEAMN CCCCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)CC(C)C ZINC000102995808 569830974 /nfs/dbraw/zinc/83/09/74/569830974.db2.gz RKOJSFIFVAUZRL-UHFFFAOYSA-N 0 1 481.729 5.668 50 30 JKEAMN CCCCCCCCC(=O)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)[C@H](C)CC ZINC000102995533 569831019 /nfs/dbraw/zinc/83/10/19/569831019.db2.gz FZKZRNIXUNISNS-RUZDIDTESA-N 0 1 495.756 6.200 50 30 JKEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000104172713 569842336 /nfs/dbraw/zinc/84/23/36/569842336.db2.gz XUFDXTFLBYUWJX-NPJIAGGLSA-N 0 1 479.617 5.395 50 30 JKEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000104172707 569842410 /nfs/dbraw/zinc/84/24/10/569842410.db2.gz XUFDXTFLBYUWJX-IUKMQXEJSA-N 0 1 479.617 5.395 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000104200525 569842918 /nfs/dbraw/zinc/84/29/18/569842918.db2.gz RCPVLDWQMAWQOB-NPJIAGGLSA-N 0 1 479.617 5.540 50 30 JKEAMN CCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2cccc3ccccc32)C1=O ZINC000051366856 569852388 /nfs/dbraw/zinc/85/23/88/569852388.db2.gz MKAPURLHYYUIIC-IPNHPEDBSA-N 0 1 496.430 5.855 50 30 JKEAMN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)sc2C1 ZINC000220951649 569883613 /nfs/dbraw/zinc/88/36/13/569883613.db2.gz HKCNOJAEYXPBMA-CQSZACIVSA-N 0 1 486.066 5.940 50 30 JKEAMN CCOc1cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000220963067 569883633 /nfs/dbraw/zinc/88/36/33/569883633.db2.gz PSJDNUGLLUJXTH-MZJWZYIUSA-N 0 1 482.968 6.260 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(C[C@H]4CCCO4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000238901804 570047779 /nfs/dbraw/zinc/04/77/79/570047779.db2.gz MTIZIQGOPPLCMG-SEIFXHLTSA-N 0 1 475.585 5.065 50 30 JKEAMN COc1cc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1OCc1ccccc1 ZINC000239174604 570049413 /nfs/dbraw/zinc/04/94/13/570049413.db2.gz QHHMOASXEAKBQY-UHFFFAOYSA-N 0 1 489.619 5.996 50 30 JKEAMN Cc1ccc2oc(-c3cc(N=Cc4cccc(I)c4)ccc3O)nc2c1 ZINC000252596333 570084524 /nfs/dbraw/zinc/08/45/24/570084524.db2.gz CIJUBXFDHAYGHN-UHFFFAOYSA-N 0 1 454.267 5.864 50 30 JKEAMN O=C(C[C@@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000252603932 570085389 /nfs/dbraw/zinc/08/53/89/570085389.db2.gz FUXWSEUPHKCISH-FQEVSTJZSA-N 0 1 469.488 5.870 50 30 JKEAMN CCCCCn1c2ccccc2nc1N=Cc1c2c(cc(Br)c1O)oc1c2CCCC1 ZINC000252612440 570086311 /nfs/dbraw/zinc/08/63/11/570086311.db2.gz ITEAFQDHZFFPPN-UHFFFAOYSA-N 0 1 480.406 7.070 50 30 JKEAMN Cc1ccc2oc(-c3cccc(N=Cc4cc(Br)cc(Cl)c4O)c3C)nc2c1 ZINC000252620272 570087182 /nfs/dbraw/zinc/08/71/82/570087182.db2.gz MAQVMBRAJIDNGV-UHFFFAOYSA-N 0 1 455.739 6.984 50 30 JKEAMN CC(C)(C)C(=O)CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)C(F)(F)F ZINC000252622045 570087407 /nfs/dbraw/zinc/08/74/07/570087407.db2.gz NNLPMBKCTRAWNI-UHFFFAOYSA-N 0 1 493.327 6.395 50 30 JKEAMN CCCN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)SC1=Nc1ccc(OC)cc1 ZINC000252626549 570088570 /nfs/dbraw/zinc/08/85/70/570088570.db2.gz RBCDLZMVOOCHAV-ZZYMSUEGSA-N 0 1 481.799 5.831 50 30 JKEAMN CC(C)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(N(C)C)cc1 ZINC000252629387 570089077 /nfs/dbraw/zinc/08/90/77/570089077.db2.gz UEUVGOVWCSBCTJ-YQVZTTAKSA-N 0 1 464.418 6.025 50 30 JKEAMN Cc1ccc2cc(N=Cc3cc(Br)cc(I)c3O)ccc2n1 ZINC000252635761 570089863 /nfs/dbraw/zinc/08/98/63/570089863.db2.gz XATVQDWRSMWQOK-UHFFFAOYSA-N 0 1 467.104 5.367 50 30 JKEAMN CCOc1ccc(-c2nc3cc(N=Cc4cc(Br)cc(Cl)c4O)ccc3o2)cc1 ZINC000252635504 570089865 /nfs/dbraw/zinc/08/98/65/570089865.db2.gz WXIAKKWFZWHWIN-UHFFFAOYSA-N 0 1 471.738 6.766 50 30 JKEAMN Oc1c(Cl)cccc1C=Nc1cc(C(F)(F)F)ccc1Oc1cc(Cl)ccc1Cl ZINC000252638017 570090087 /nfs/dbraw/zinc/09/00/87/570090087.db2.gz XYSVRCRWYMHYNB-UHFFFAOYSA-N 0 1 460.666 7.914 50 30 JKEAMN COc1ccc(N=C2S/C(=C/c3cc(Br)cc(Cl)c3O)C(=O)N2C)cc1 ZINC000252637176 570090091 /nfs/dbraw/zinc/09/00/91/570090091.db2.gz XPUHYKWNQHWVQK-SVQIGFJBSA-N 0 1 453.745 5.051 50 30 JKEAMN CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CC[N@H+]5CCCC(C)(C)C5)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000254399264 570105647 /nfs/dbraw/zinc/10/56/47/570105647.db2.gz SKYIWOGZYIRINV-HAIFGLGISA-N 0 1 483.737 6.578 50 30 JKEAMN Cc1ccc2nc(-c3ccc(/N=C/c4ccc(-c5ccc(Br)cc5)o4)cc3O)oc2c1 ZINC000003101015 194225804 /nfs/dbraw/zinc/22/58/04/194225804.db2.gz HOZWJIDXTMQJOR-MZJWZYIUSA-N 0 1 473.326 7.282 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1O ZINC000003113729 194227209 /nfs/dbraw/zinc/22/72/09/194227209.db2.gz OOBKKJWWJKKTKH-YSURURNPSA-N 0 1 458.257 6.175 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O ZINC000003115233 194227587 /nfs/dbraw/zinc/22/75/87/194227587.db2.gz JKZQNSWDCIXJDQ-YSURURNPSA-N 0 1 458.257 6.175 50 30 JKEAMN Cc1c(Cl)c(C)c(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c(O)c1Br ZINC000003114130 194227632 /nfs/dbraw/zinc/22/76/32/194227632.db2.gz SUROAZZJTMIVTF-OPEKNORGSA-N 0 1 471.807 7.452 50 30 JKEAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccs1 ZINC000004171941 194382420 /nfs/dbraw/zinc/38/24/20/194382420.db2.gz LAOJAVFARSXSCB-UZTOHYMASA-N 0 1 466.562 6.556 50 30 JKEAMN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000004110522 194379302 /nfs/dbraw/zinc/37/93/02/194379302.db2.gz WNRPXUVZAKVTPL-CBZJRKILSA-N 0 1 488.540 5.226 50 30 JKEAMN COc1cc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000004110521 194379407 /nfs/dbraw/zinc/37/94/07/194379407.db2.gz WNRPXUVZAKVTPL-CRYYWNKWSA-N 0 1 488.540 5.226 50 30 JKEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004635181 194392858 /nfs/dbraw/zinc/39/28/58/194392858.db2.gz SEBVUGLINKZHKD-HHHXNRCGSA-N 0 1 499.010 6.766 50 30 JKEAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000008431035 194444734 /nfs/dbraw/zinc/44/47/34/194444734.db2.gz QHCIPKLQKHCWLT-MUUNZHRXSA-N 0 1 466.581 6.542 50 30 JKEAMN C=CCOC(=O)C1C(C)=NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCCCC)cc1 ZINC000012614277 195054759 /nfs/dbraw/zinc/05/47/59/195054759.db2.gz KGPJPSFKRLDWSP-AREMUKBSSA-N 0 1 486.572 5.075 50 30 JKEAMN O=C(c1cccc2ccccc21)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1 ZINC000012652119 195076349 /nfs/dbraw/zinc/07/63/49/195076349.db2.gz XBELDQSIKKWVRJ-LJAQVGFWSA-N 0 1 478.979 7.314 50 30 JKEAMN COc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2ccccc2N1C(=O)c1cccc2ccccc21 ZINC000012652207 195076462 /nfs/dbraw/zinc/07/64/62/195076462.db2.gz MLLWZZKKFFTCBH-PMERELPUSA-N 0 1 474.560 6.669 50 30 JKEAMN COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000012652112 195076524 /nfs/dbraw/zinc/07/65/24/195076524.db2.gz DDJHARLJBVWVGC-AREMUKBSSA-N 0 1 458.945 6.169 50 30 JKEAMN COc1ccc(C(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000012652109 195076544 /nfs/dbraw/zinc/07/65/44/195076544.db2.gz DDJHARLJBVWVGC-SANMLTNESA-N 0 1 458.945 6.169 50 30 JKEAMN O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652282 195076823 /nfs/dbraw/zinc/07/68/23/195076823.db2.gz TWVMTKPJRZUAKB-MYUZEXMDSA-N 0 1 484.939 6.740 50 30 JKEAMN COc1ccc(CN2c3ccccc3N=C3C[C@@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2)cc1 ZINC000012652367 195076856 /nfs/dbraw/zinc/07/68/56/195076856.db2.gz IVLKWMOZVCUMGY-IPBJYNAHSA-N 0 1 476.576 6.862 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102368782 130122506 /nfs/dbraw/zinc/12/25/06/130122506.db2.gz PGWHQVKHHFARGY-MRJHHRETSA-N 0 1 452.894 5.050 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102368779 130122540 /nfs/dbraw/zinc/12/25/40/130122540.db2.gz PGWHQVKHHFARGY-JBCNATCCSA-N 0 1 452.894 5.050 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc(Br)c2)no1 ZINC000102368949 130123159 /nfs/dbraw/zinc/12/31/59/130123159.db2.gz NHKPSECZDOLUFN-JBCNATCCSA-N 0 1 497.345 5.159 50 30 JKEAMN Cc1ccc(-c2nc3ccc(/N=C/c4cc(Br)cc(Br)c4O)cc3o2)cc1 ZINC000102413397 130128419 /nfs/dbraw/zinc/12/84/19/130128419.db2.gz PDCWXPCJAKOOJM-BHGWPJFGSA-N 0 1 486.163 6.784 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2Cl)c(C)c1 ZINC000102431059 130129948 /nfs/dbraw/zinc/12/99/48/130129948.db2.gz CAAIJHGBUNHTFG-HOGKFDNTSA-N 0 1 483.351 5.327 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000102485011 130139582 /nfs/dbraw/zinc/13/95/82/130139582.db2.gz IUIAKSBFACFAJF-JBCNATCCSA-N 0 1 455.407 5.779 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000102500141 130154064 /nfs/dbraw/zinc/15/40/64/130154064.db2.gz HLYLCIJEIRCRTO-NHFXJNLRSA-N 0 1 468.387 5.240 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102515866 130168964 /nfs/dbraw/zinc/16/89/64/130168964.db2.gz IODVGJPRCAFHAP-MRJHHRETSA-N 0 1 478.476 5.209 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102519611 130172429 /nfs/dbraw/zinc/17/24/29/130172429.db2.gz MNISPFYMCLIYBO-MRJHHRETSA-N 0 1 460.486 5.070 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102522743 130175017 /nfs/dbraw/zinc/17/50/17/130175017.db2.gz TWKPGJPPIITOPD-LFVOPCPISA-N 0 1 466.971 5.946 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(F)c1 ZINC000102525877 130178450 /nfs/dbraw/zinc/17/84/50/130178450.db2.gz RRCQHJXYQLCRFR-SELCWUDQSA-N 0 1 454.479 5.262 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000102527965 130180467 /nfs/dbraw/zinc/18/04/67/130180467.db2.gz YXRRSGMDEBFRSY-WOOAAIBNSA-N 0 1 473.381 6.001 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(Cl)c2)o1 ZINC000102529280 130182234 /nfs/dbraw/zinc/18/22/34/130182234.db2.gz CWZULXFISJZUDS-PGVNHDJNSA-N 0 1 478.957 6.094 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102541783 130197787 /nfs/dbraw/zinc/19/77/87/130197787.db2.gz KITBKYIPNOKTST-YREDKMEYSA-N 0 1 497.591 5.811 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000102588587 130217840 /nfs/dbraw/zinc/21/78/40/130217840.db2.gz APJHKHSEVOAZIY-JBCNATCCSA-N 0 1 487.861 5.994 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000102590472 130218412 /nfs/dbraw/zinc/21/84/12/130218412.db2.gz WUAAGWFSKWBAIR-YDJIHCHBSA-N 0 1 459.370 5.610 50 30 JKEAMN CCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1 ZINC000102627968 130227088 /nfs/dbraw/zinc/22/70/88/130227088.db2.gz ZLDHVEISLBGZKA-JBCNATCCSA-N 0 1 456.380 5.760 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102641619 130229022 /nfs/dbraw/zinc/22/90/22/130229022.db2.gz CAKIAZIEMFVTQC-IIHDFJPDSA-N 0 1 473.525 5.014 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1)c1ccc(Cl)cc1 ZINC000102649452 130231013 /nfs/dbraw/zinc/23/10/13/130231013.db2.gz ZJMSHVHMDYRTGP-WOOAAIBNSA-N 0 1 469.722 5.124 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102667034 130235107 /nfs/dbraw/zinc/23/51/07/130235107.db2.gz UTHNNXRLJCRVLR-MPQPQKAGSA-N 0 1 487.364 5.400 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102696075 130242472 /nfs/dbraw/zinc/24/24/72/130242472.db2.gz LYWRPIROZQVIQC-HOGKFDNTSA-N 0 1 474.538 5.477 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000102699859 130246012 /nfs/dbraw/zinc/24/60/12/130246012.db2.gz AQYBTLVKNIJGNC-NHFXJNLRSA-N 0 1 473.312 5.233 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102712026 130258612 /nfs/dbraw/zinc/25/86/12/130258612.db2.gz XTQDXSGRHBNRHI-YDJIHCHBSA-N 0 1 473.312 5.315 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4cccnc4)[C@H]3c3cccs3)cc2)c1 ZINC000102732253 130276017 /nfs/dbraw/zinc/27/60/17/130276017.db2.gz XXELUSMHUMEQFY-CZNAVJSXSA-N 0 1 496.588 5.652 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102797549 130305995 /nfs/dbraw/zinc/30/59/95/130305995.db2.gz UVYQIVFFMCLWKR-NXLSWJSLSA-N 0 1 468.534 5.557 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102797419 130306119 /nfs/dbraw/zinc/30/61/19/130306119.db2.gz AHTFLIIBAIUIOD-ONQGDUAMSA-N 0 1 492.531 5.504 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000102799022 130307367 /nfs/dbraw/zinc/30/73/67/130307367.db2.gz SEIHMZDPRJYBQD-HOGKFDNTSA-N 0 1 487.512 5.404 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102799843 130309025 /nfs/dbraw/zinc/30/90/25/130309025.db2.gz AFCIVYJHFAACDO-GHNGSUTGSA-N 0 1 481.486 5.031 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000102799851 130309064 /nfs/dbraw/zinc/30/90/64/130309064.db2.gz OWEMQAGLMDGMJQ-NHFXJNLRSA-N 0 1 468.387 5.240 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000102859383 130329477 /nfs/dbraw/zinc/32/94/77/130329477.db2.gz SFCSSYQEAQRQBX-MRJHHRETSA-N 0 1 460.486 5.070 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccs2)cc1 ZINC000102872185 130343853 /nfs/dbraw/zinc/34/38/53/130343853.db2.gz FFRSHNWFBVRDMS-IUKMQXEJSA-N 0 1 485.561 5.850 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102872678 130344316 /nfs/dbraw/zinc/34/43/16/130344316.db2.gz ZKVALWRNZSEDGO-MRJHHRETSA-N 0 1 492.578 5.391 50 30 JKEAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2Cl)cc1 ZINC000102873406 130344939 /nfs/dbraw/zinc/34/49/39/130344939.db2.gz OVPCQHRELWCKCO-YDJIHCHBSA-N 0 1 467.930 5.205 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000102873762 130345671 /nfs/dbraw/zinc/34/56/71/130345671.db2.gz LZFNWNMBQNMDJA-NXLSWJSLSA-N 0 1 498.560 5.960 50 30 JKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)=C(O)C(=O)N1c1nc2ccc(F)cc2s1 ZINC000102874932 130347025 /nfs/dbraw/zinc/34/70/25/130347025.db2.gz JMGXRRNUJCMGTE-MRJHHRETSA-N 0 1 478.476 5.209 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102875545 130347627 /nfs/dbraw/zinc/34/76/27/130347627.db2.gz BNKJNRVRIPATTD-BFLOGMOSSA-N 0 1 453.538 5.194 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102876906 130349520 /nfs/dbraw/zinc/34/95/20/130349520.db2.gz NFZOUNWDGWQZPF-ZLYDLHQSSA-N 0 1 483.564 5.073 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102878975 130353270 /nfs/dbraw/zinc/35/32/70/130353270.db2.gz AAWQICWMNRBFHK-YREDKMEYSA-N 0 1 497.591 5.463 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102879692 130354850 /nfs/dbraw/zinc/35/48/50/130354850.db2.gz VEMXKHVSYKBMCT-JBCNATCCSA-N 0 1 476.529 5.952 50 30 JKEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102881206 130358321 /nfs/dbraw/zinc/35/83/21/130358321.db2.gz AXUWBYITLAFDHK-JBCNATCCSA-N 0 1 462.477 5.509 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102882879 130362066 /nfs/dbraw/zinc/36/20/66/130362066.db2.gz YMJJZNSGMLVUSS-WOOAAIBNSA-N 0 1 482.970 5.646 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 ZINC000102885163 130366188 /nfs/dbraw/zinc/36/61/88/130366188.db2.gz MDHUZFSYUUXUPU-CJJGVWJISA-N 0 1 480.520 5.184 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102885604 130366856 /nfs/dbraw/zinc/36/68/56/130366856.db2.gz VLXQWZUVMKSFHU-SBXHHDGASA-N 0 1 488.496 5.153 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000102888579 130369500 /nfs/dbraw/zinc/36/95/00/130369500.db2.gz KOHNINSXVPULCW-ZHHPLPSFSA-N 0 1 496.947 5.450 50 30 JKEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102891531 130373448 /nfs/dbraw/zinc/37/34/48/130373448.db2.gz VNWUOLBHFDUFTF-AYWGPLOBSA-N 0 1 496.346 5.387 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102897162 130379387 /nfs/dbraw/zinc/37/93/87/130379387.db2.gz ADSGQUZNJYYBLX-ZHHPLPSFSA-N 0 1 483.549 5.052 50 30 JKEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2nnc(SCc3ccc(F)cc3)s2)[C@H]1c1ccccc1 ZINC000102897304 130379821 /nfs/dbraw/zinc/37/98/21/130379821.db2.gz FLBOYHDFSBFNCK-WOOAAIBNSA-N 0 1 493.541 5.189 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000102924893 130395071 /nfs/dbraw/zinc/39/50/71/130395071.db2.gz NRIIQRVWEVNAGM-MRJHHRETSA-N 0 1 494.931 5.724 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000102926284 130397681 /nfs/dbraw/zinc/39/76/81/130397681.db2.gz OXJRXHLDXBASFA-GHNGSUTGSA-N 0 1 477.344 5.832 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000102926814 130398964 /nfs/dbraw/zinc/39/89/64/130398964.db2.gz CORPKSYUUNWANC-CZNAVJSXSA-N 0 1 492.660 5.455 50 30 JKEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccco4)Cc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12 ZINC000008918461 518660889 /nfs/dbraw/zinc/66/08/89/518660889.db2.gz ZMOGVWVUKQZPKM-LWVVDTDHSA-N 0 1 479.617 5.613 50 30 biogenic JKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC ZINC000036302815 518712815 /nfs/dbraw/zinc/71/28/15/518712815.db2.gz UCZWYXKNVDDJAI-HSZRJFAPSA-N 0 1 463.622 5.775 50 30 JKEAMN C=CCC[C@@H](O)CN(CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1 ZINC000036305090 518716151 /nfs/dbraw/zinc/71/61/51/518716151.db2.gz NIBZJJPLTQXYHH-JOCHJYFZSA-N 0 1 470.013 5.308 50 30 JKEAMN C=CCC[C@@H](O)CN(Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC)C1CC1 ZINC000036303351 518717971 /nfs/dbraw/zinc/71/79/71/518717971.db2.gz KAWOXMBMBXBFEM-HSZRJFAPSA-N 0 1 491.632 5.536 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346756 518722944 /nfs/dbraw/zinc/72/29/44/518722944.db2.gz ODXKCINEZZBMDG-QHCPKHFHSA-N 0 1 455.549 5.790 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036303379 518723671 /nfs/dbraw/zinc/72/36/71/518723671.db2.gz RGVIYGPFDOKARP-QHCPKHFHSA-N 0 1 493.648 5.783 50 30 JKEAMN C=CCN1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000033348758 518838698 /nfs/dbraw/zinc/83/86/98/518838698.db2.gz XAANFKXGAQBWSU-VCHYOVAHSA-N 0 1 454.313 5.485 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C1CC1 ZINC000036305160 518985725 /nfs/dbraw/zinc/98/57/25/518985725.db2.gz UQYLQDXFQFYRKJ-QFIPXVFZSA-N 0 1 467.997 5.061 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1OC)CC1CC1 ZINC000036302856 518993906 /nfs/dbraw/zinc/99/39/06/518993906.db2.gz DCCIANOZCMJZIR-XMMPIXPASA-N 0 1 491.632 5.011 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C(C)C ZINC000036304123 518994527 /nfs/dbraw/zinc/99/45/27/518994527.db2.gz IDTBORHVPYJIPB-JOCHJYFZSA-N 0 1 471.548 5.025 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)CC1CC1 ZINC000036303613 518994669 /nfs/dbraw/zinc/99/46/69/518994669.db2.gz RBKRJUNWDXYVEM-HSZRJFAPSA-N 0 1 482.024 5.402 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)no1 ZINC000012381570 519001057 /nfs/dbraw/zinc/00/10/57/519001057.db2.gz SGVWWAFILPHYJW-FQEVSTJZSA-N 0 1 454.885 5.548 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)no1 ZINC000012381569 519001741 /nfs/dbraw/zinc/00/17/41/519001741.db2.gz SGVWWAFILPHYJW-HXUWFJFHSA-N 0 1 454.885 5.548 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Br)cc3)[C@H]2c2cccc(F)c2)no1 ZINC000009110825 519002147 /nfs/dbraw/zinc/00/21/47/519002147.db2.gz FXFPQBQEJRVALY-HXUWFJFHSA-N 0 1 499.336 5.657 50 30 JKEAMN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)cc(Cl)c4O)ccc3o2)cc1 ZINC000003066591 519009483 /nfs/dbraw/zinc/00/94/83/519009483.db2.gz SSMBKWFDIAUBHS-UVHMKAGCSA-N 0 1 483.793 7.664 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009236080 519022137 /nfs/dbraw/zinc/02/21/37/519022137.db2.gz DLBASOZHTSIVMR-AREMUKBSSA-N 0 1 468.553 5.548 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016732483 519022672 /nfs/dbraw/zinc/02/26/72/519022672.db2.gz QJMTVRATVOHMDH-UKILVPOCSA-N 0 1 475.585 5.306 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009994080 519022940 /nfs/dbraw/zinc/02/29/40/519022940.db2.gz ZKTLROAARNCRIC-MHZLTWQESA-N 0 1 482.580 5.857 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000016732234 519024533 /nfs/dbraw/zinc/02/45/33/519024533.db2.gz JGQMLIDFMIKXAA-AREMUKBSSA-N 0 1 468.553 5.548 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016732545 519025178 /nfs/dbraw/zinc/02/51/78/519025178.db2.gz SVPVMIKJMDXNIL-SANMLTNESA-N 0 1 482.580 5.722 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000016732548 519025408 /nfs/dbraw/zinc/02/54/08/519025408.db2.gz SVPVMIKJMDXNIL-AREMUKBSSA-N 0 1 482.580 5.722 50 30 JKEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000008845567 519045356 /nfs/dbraw/zinc/04/53/56/519045356.db2.gz UIGUHBLDTBVMNS-AREMUKBSSA-N 0 1 471.513 5.003 50 30 JKEAMN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000016741792 519047962 /nfs/dbraw/zinc/04/79/62/519047962.db2.gz RYUOWFLGCRRZDF-XMMPIXPASA-N 0 1 473.525 5.127 50 30 JKEAMN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009275016 519049382 /nfs/dbraw/zinc/04/93/82/519049382.db2.gz NLZXIGZHADIXQD-NRFANRHFSA-N 0 1 476.529 6.109 50 30 JKEAMN C=CCOc1cccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000016319495 519058902 /nfs/dbraw/zinc/05/89/02/519058902.db2.gz UMNTYZUYGDVZAJ-XMMPIXPASA-N 0 1 485.492 5.378 50 30 JKEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009312192 519062299 /nfs/dbraw/zinc/06/22/99/519062299.db2.gz OYYXMKUMZAROIK-MMTVBGGISA-N 0 1 495.575 5.396 50 30 JKEAMN C=CCn1c(SCc2cccc(Cl)c2)nnc1C1CCN(Cc2cccc(C)n2)CC1 ZINC000011912512 519243647 /nfs/dbraw/zinc/24/36/47/519243647.db2.gz QYXYNVFHIUEAIB-UHFFFAOYSA-N 0 1 454.043 5.493 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000009553613 519476771 /nfs/dbraw/zinc/47/67/71/519476771.db2.gz GYGKXTXVIYSSRY-RBTNQOKQSA-N 0 1 454.545 6.382 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000009312849 519640140 /nfs/dbraw/zinc/64/01/40/519640140.db2.gz HPSFUBQGMLWZIG-MMTVBGGISA-N 0 1 454.570 6.498 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000009463919 519640156 /nfs/dbraw/zinc/64/01/56/519640156.db2.gz OTFYOECECXVHGK-DFXYEROKSA-N 0 1 499.054 7.558 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000009463920 519640274 /nfs/dbraw/zinc/64/02/74/519640274.db2.gz OTFYOECECXVHGK-IIMAJNMQSA-N 0 1 499.054 7.558 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000000681864 519640446 /nfs/dbraw/zinc/64/04/46/519640446.db2.gz HNGODJVTRZCBSL-UZTOHYMASA-N 0 1 487.943 6.169 50 30 JKEAMN CC(C)Oc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009266494 519781653 /nfs/dbraw/zinc/78/16/53/519781653.db2.gz LFEKDBYQSHEXDW-GDLZYMKVSA-N 0 1 480.608 6.931 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000021722953 519883875 /nfs/dbraw/zinc/88/38/75/519883875.db2.gz UAJJDGYVIRNGTM-WINIVTDRSA-N 0 1 471.557 5.782 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccccc1F ZINC000009332135 519927304 /nfs/dbraw/zinc/92/73/04/519927304.db2.gz VTEVKPLKNQIQAR-UDNBHOFDSA-N 0 1 496.626 7.615 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccnc1 ZINC000009720991 519927351 /nfs/dbraw/zinc/92/73/51/519927351.db2.gz ABMRPJHZGKAFLR-GTYOFVGBSA-N 0 1 495.623 6.571 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccnc1 ZINC000009272301 519928027 /nfs/dbraw/zinc/92/80/27/519928027.db2.gz PQSFPQGKFZKNRY-WBBHLRKXSA-N 0 1 479.624 6.871 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000009379906 519928765 /nfs/dbraw/zinc/92/87/65/519928765.db2.gz ASKJNGDXQWJDMC-IPBJYNAHSA-N 0 1 499.054 7.821 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccnc1 ZINC000009273068 519928898 /nfs/dbraw/zinc/92/88/98/519928898.db2.gz PQSFPQGKFZKNRY-XJFCNFDWSA-N 0 1 479.624 6.871 50 30 JKEAMN CC1(C)C(=S)N(c2cccc(C(F)(F)F)c2)/C(=N/c2ccc(Cl)cc2)[C@H]1N1CCCC1 ZINC000015861656 520244545 /nfs/dbraw/zinc/24/45/45/520244545.db2.gz MQCQPLMYCSKSPO-ZLOUITSBSA-N 0 1 465.972 6.727 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000009425045 520255891 /nfs/dbraw/zinc/25/58/91/520255891.db2.gz LNUZLRXBAPQZSH-XMMPIXPASA-N 0 1 494.519 5.483 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009425011 520256507 /nfs/dbraw/zinc/25/65/07/520256507.db2.gz WUYZKAJJXFFXHM-HSZRJFAPSA-N 0 1 480.948 5.988 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)C1 ZINC000021722178 520263171 /nfs/dbraw/zinc/26/31/71/520263171.db2.gz ZMBXBJMZCDPMEO-UQBPGWFLSA-N 0 1 463.553 5.331 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1nc(SCC(=O)c3ccccc3)nn1[C@@H]2c1ccccc1Cl ZINC000020850463 520265584 /nfs/dbraw/zinc/26/55/84/520265584.db2.gz LKWCZYJDOKUFDZ-JOCHJYFZSA-N 0 1 479.005 5.565 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009993907 520330871 /nfs/dbraw/zinc/33/08/71/520330871.db2.gz GLEBYLZUWNMVFY-HHHXNRCGSA-N 0 1 498.623 6.255 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009993909 520330877 /nfs/dbraw/zinc/33/08/77/520330877.db2.gz GLEBYLZUWNMVFY-MHZLTWQESA-N 0 1 498.623 6.255 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2F)c(C)c1 ZINC000009994377 520331593 /nfs/dbraw/zinc/33/15/93/520331593.db2.gz QNLWVHRJFVVPEW-XMMPIXPASA-N 0 1 460.505 5.096 50 30 JKEAMN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2F)c(C)c1 ZINC000009994379 520331699 /nfs/dbraw/zinc/33/16/99/520331699.db2.gz QNLWVHRJFVVPEW-DEOSSOPVSA-N 0 1 460.505 5.096 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1C ZINC000009993905 520331953 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483.977 5.462 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2ccccc2)cc1Cl ZINC000016733405 520873827 /nfs/dbraw/zinc/87/38/27/520873827.db2.gz QPMDJRUFSQYJCO-QFIPXVFZSA-N 0 1 457.954 5.132 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016700810 520876463 /nfs/dbraw/zinc/87/64/63/520876463.db2.gz BRVRBANEMLASGK-SANMLTNESA-N 0 1 487.552 5.492 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016732894 520878141 /nfs/dbraw/zinc/87/81/41/520878141.db2.gz YKBGZPZWOPHWNK-AHKZPQOWSA-N 0 1 499.563 5.635 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000009086143 520878870 /nfs/dbraw/zinc/87/88/70/520878870.db2.gz CGECWDNVBIDPAF-VWLOTQADSA-N 0 1 473.525 5.102 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000009993677 520881895 /nfs/dbraw/zinc/88/18/95/520881895.db2.gz YFNLVFWGWOMXII-AREMUKBSSA-N 0 1 484.596 5.865 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009310118 520883158 /nfs/dbraw/zinc/88/31/58/520883158.db2.gz RJQKFAVUNXNGCC-GOSISDBHSA-N 0 1 475.353 5.632 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000009453096 520894197 /nfs/dbraw/zinc/89/41/97/520894197.db2.gz MPMAMRFNAMFMBX-JOCHJYFZSA-N 0 1 450.466 5.084 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000016735773 520894383 /nfs/dbraw/zinc/89/43/83/520894383.db2.gz NDNIUBBOEPQBFP-HHHXNRCGSA-N 0 1 485.580 5.961 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000026458931 520895169 /nfs/dbraw/zinc/89/51/69/520895169.db2.gz HGUZDZDMMHSJHW-XMMPIXPASA-N 0 1 479.504 5.385 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)C(=O)C(=O)N2Cc2cccnc2)cc1 ZINC000016731224 520896714 /nfs/dbraw/zinc/89/67/14/520896714.db2.gz GZHYCIDHGWAPRN-VWLOTQADSA-N 0 1 490.531 5.187 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000009354045 520908702 /nfs/dbraw/zinc/90/87/02/520908702.db2.gz XYPHWHDVOYPJQD-PIIWDFAUSA-N 0 1 497.591 5.967 50 30 JKEAMN CCCCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2c(Cl)cccc2Cl)S1 ZINC000012194719 520911602 /nfs/dbraw/zinc/91/16/02/520911602.db2.gz IOVNYFCQXZWIFU-BBMHEYIBSA-N 0 1 450.391 5.337 50 30 JKEAMN CCN(CC)c1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000009861346 520923179 /nfs/dbraw/zinc/92/31/79/520923179.db2.gz XRYRVXBUKOPLDD-LJAQVGFWSA-N 0 1 465.597 6.354 50 30 JKEAMN CCOC(=O)[C@@H]([C@H](Cc1c2ccccc2nc2ccccc21)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] ZINC000016682137 521087047 /nfs/dbraw/zinc/08/70/47/521087047.db2.gz SYUQWLRLASFBGY-QDPGVEIFSA-N 0 1 495.535 5.538 50 30 JKEAMN CCOC(=O)[C@@H]([C@@H](Cc1c2ccccc2nc2ccccc21)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] ZINC000016682135 521088365 /nfs/dbraw/zinc/08/83/65/521088365.db2.gz SYUQWLRLASFBGY-NEKDWFFYSA-N 0 1 495.535 5.538 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000002308113 521117259 /nfs/dbraw/zinc/11/72/59/521117259.db2.gz GEXUWVDTFAUNLZ-KVZWLNNISA-N 0 1 458.425 5.782 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O ZINC000009379708 521117994 /nfs/dbraw/zinc/11/79/94/521117994.db2.gz QLGNLOPKJYYHQI-YPIVDVRTSA-N 0 1 458.631 5.930 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccs1 ZINC000009428561 521168717 /nfs/dbraw/zinc/16/87/17/521168717.db2.gz LXJJASRGEPERHA-XRHLQHRESA-N 0 1 458.583 6.067 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000008753321 521168799 /nfs/dbraw/zinc/16/87/99/521168799.db2.gz VXIAOUMLMFQQOR-NGOKVRLYSA-N 0 1 456.973 6.651 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000009861259 521168833 /nfs/dbraw/zinc/16/88/33/521168833.db2.gz JJCCOJTXKDVGQL-OLILMLBXSA-N 0 1 466.537 5.726 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009041654 521236456 /nfs/dbraw/zinc/23/64/56/521236456.db2.gz KQGQZITUTSWNJB-JOCHJYFZSA-N 0 1 492.503 5.756 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000009375175 521238655 /nfs/dbraw/zinc/23/86/55/521238655.db2.gz HYRYAQSKXRJVNX-RUZDIDTESA-N 0 1 481.589 5.043 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000009374196 521238683 /nfs/dbraw/zinc/23/86/83/521238683.db2.gz GXRAPAYCOIWALB-DNOBIOAJSA-N 0 1 499.563 5.196 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009425098 521238708 /nfs/dbraw/zinc/23/87/08/521238708.db2.gz CIBNJOCWQWLFJP-UZTOHYMASA-N 0 1 483.564 5.230 50 30 JKEAMN CCCCC1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O ZINC000009379926 521252611 /nfs/dbraw/zinc/25/26/11/521252611.db2.gz GEXUWVDTFAUNLZ-AXMNZLFYSA-N 0 1 458.425 5.782 50 30 JKEAMN CCOC(=O)[C@H]([C@H](Cc1c2ccccc2nc2ccccc21)c1cn(C(C)=O)c2ccccc12)[N+](=O)[O-] ZINC000016682138 521272581 /nfs/dbraw/zinc/27/25/81/521272581.db2.gz SYUQWLRLASFBGY-LXFBAYGMSA-N 0 1 495.535 5.538 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000009043411 521300144 /nfs/dbraw/zinc/30/01/44/521300144.db2.gz YVGNRHHVLRVBHF-JOCHJYFZSA-N 0 1 492.503 5.756 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009123650 521300306 /nfs/dbraw/zinc/30/03/06/521300306.db2.gz RAOMRAYTXKORBP-FQEVSTJZSA-N 0 1 480.542 5.679 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000009043413 521301608 /nfs/dbraw/zinc/30/16/08/521301608.db2.gz YVGNRHHVLRVBHF-QFIPXVFZSA-N 0 1 492.503 5.756 50 30 JKEAMN CCOC(=O)c1c(N=C2CC(=O)[C@@H](C(=O)OCC)[C@@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000001080036 521412283 /nfs/dbraw/zinc/41/22/83/521412283.db2.gz YEZSYUIPTOZLDR-KNQAVFIVSA-N 0 1 467.587 5.035 50 30 JKEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009424814 521415065 /nfs/dbraw/zinc/41/50/65/521415065.db2.gz BZJWCWQXWDUQKB-XHCCPWGMSA-N 0 1 483.564 5.230 50 30 JKEAMN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000009424815 521425091 /nfs/dbraw/zinc/42/50/91/521425091.db2.gz BZJWCWQXWDUQKB-WINIVTDRSA-N 0 1 483.564 5.230 50 30 JKEAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000009046826 521481378 /nfs/dbraw/zinc/48/13/78/521481378.db2.gz QPEFKOFXTAITPQ-FQEVSTJZSA-N 0 1 467.930 5.361 50 30 JKEAMN CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@@H]2c1ccc(OC)cc1 ZINC000000681808 521581571 /nfs/dbraw/zinc/58/15/71/521581571.db2.gz ATPUWYIQMHFFMZ-JCOAXYOVSA-N 0 1 496.607 6.405 50 30 JKEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000020358606 521756366 /nfs/dbraw/zinc/75/63/66/521756366.db2.gz BPXMXVZLMXHNSL-VWLOTQADSA-N 0 1 490.987 5.059 50 30 JKEAMN COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@H+](C)CC3)OCO2 ZINC000020411365 521884862 /nfs/dbraw/zinc/88/48/62/521884862.db2.gz COTWGGIERJHNGH-QCWHOWFGSA-N 0 1 478.633 5.743 50 30 biogenic JKEAMN COc1c2c(cc3c1[C@@H](C/C(=N/[O-])c1cc(C(C)(C)C)cc4c1CCC4(C)C)[N@@H+](C)CC3)OCO2 ZINC000020411365 521884870 /nfs/dbraw/zinc/88/48/70/521884870.db2.gz COTWGGIERJHNGH-QCWHOWFGSA-N 0 1 478.633 5.743 50 30 biogenic JKEAMN COc1cc(/C=N/N=C2/NC(=O)C(Cc3ccc(C)c(C)c3)S2)ccc1OCc1ccccc1 ZINC000012042413 521986615 /nfs/dbraw/zinc/98/66/15/521986615.db2.gz PSKZZRQGLJFEFF-PWDRKSFLSA-N 0 1 473.598 5.055 50 30 JKEAMN COc1cc(/C=N/N=C2\NC(=O)C(Cc3ccc(C(C)C)cc3)S2)ccc1OCc1ccccc1 ZINC000011690606 521987773 /nfs/dbraw/zinc/98/77/73/521987773.db2.gz DOVQQILHVLSGKT-WVOIHLJESA-N 0 1 487.625 5.562 50 30 JKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000009296481 521995307 /nfs/dbraw/zinc/99/53/07/521995307.db2.gz BDFWCGUATAKYNK-WSDLNYQXSA-N 0 1 465.447 5.360 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009072880 522166916 /nfs/dbraw/zinc/16/69/16/522166916.db2.gz PAKURGKVVFYJEI-LJQANCHMSA-N 0 1 494.525 5.066 50 30 JKEAMN COc1cc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)cc(OC)c1 ZINC000021722352 522691688 /nfs/dbraw/zinc/69/16/88/522691688.db2.gz OCKXLHHELBQYKW-RUZDIDTESA-N 0 1 475.570 5.978 50 30 JKEAMN COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000009424426 522954001 /nfs/dbraw/zinc/95/40/01/522954001.db2.gz RQEMZMFPLIKWHF-QHCPKHFHSA-N 0 1 480.517 5.101 50 30 JKEAMN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc([N+](=O)[O-])c1O ZINC000012447691 522966184 /nfs/dbraw/zinc/96/61/84/522966184.db2.gz AMKBJFQNGDZPIJ-WGDIFIGCSA-N 0 1 471.513 5.597 50 30 JKEAMN COc1ccc(-c2cc3n(n2)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1 ZINC000021658653 523123426 /nfs/dbraw/zinc/12/34/26/523123426.db2.gz VAYPJZWSVOJYGM-DEOSSOPVSA-N 0 1 478.390 5.979 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000009380578 523279569 /nfs/dbraw/zinc/27/95/69/523279569.db2.gz VYWNUJKQKZJQJR-RUZDIDTESA-N 0 1 473.525 5.102 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C)cc1 ZINC000009462722 523279801 /nfs/dbraw/zinc/27/98/01/523279801.db2.gz LNMJFKUBZRDNKJ-MHZLTWQESA-N 0 1 485.580 5.497 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccccc1 ZINC000009460933 523283411 /nfs/dbraw/zinc/28/34/11/523283411.db2.gz FRLGSOBEEPNIFS-SANMLTNESA-N 0 1 471.553 5.189 50 30 JKEAMN COc1ccc(/C=C/C(=O)c2ccc3ccccc3c2O)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000009041491 523401249 /nfs/dbraw/zinc/40/12/49/523401249.db2.gz PDRRUXOWBHLZOX-NTUHNPAUSA-N 0 1 469.493 6.246 50 30 JKEAMN COc1ccc(C=Nc2ccc(-c3nc4ccc(N=Cc5ccc(OC)cc5)cc4[nH]3)cc2)cc1 ZINC000013563471 523452265 /nfs/dbraw/zinc/45/22/65/523452265.db2.gz XFPGEQLUPOYYPK-GFTXTJKWSA-N 0 1 460.537 6.748 50 30 JKEAMN COc1ccc(Br)cc1/C=C1\Oc2c(ccc([O-])c2C[N@@H+](C)Cc2ccccc2)C1=O ZINC000020650845 523489396 /nfs/dbraw/zinc/48/93/96/523489396.db2.gz ZUGYXZLIDLMVCB-QRVIBDJDSA-N 0 1 480.358 5.412 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F ZINC000001124164 523561694 /nfs/dbraw/zinc/56/16/94/523561694.db2.gz NEFDPVKQARTRAE-XMMPIXPASA-N 0 1 474.532 5.305 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000016730881 523561950 /nfs/dbraw/zinc/56/19/50/523561950.db2.gz MOHWSBKDXWHNOE-QFIPXVFZSA-N 0 1 499.350 5.184 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F ZINC000016731213 523563549 /nfs/dbraw/zinc/56/35/49/523563549.db2.gz HMXLWHSAOLJGBD-XMMPIXPASA-N 0 1 460.505 5.131 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009379972 523565681 /nfs/dbraw/zinc/56/56/81/523565681.db2.gz SCVMWBMZUYSEGV-JOCHJYFZSA-N 0 1 499.441 5.211 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000009235441 523567496 /nfs/dbraw/zinc/56/74/96/523567496.db2.gz LBYMRJOZKQKOJD-LJQANCHMSA-N 0 1 472.925 5.344 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009380690 523569721 /nfs/dbraw/zinc/56/97/21/523569721.db2.gz MZRVEWIODZGGBJ-NRFANRHFSA-N 0 1 471.406 5.636 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2cccc(F)c2)cc1 ZINC000009240262 523572374 /nfs/dbraw/zinc/57/23/74/523572374.db2.gz WZJPFQMFKBQGOU-NRFANRHFSA-N 0 1 478.476 5.366 50 30 JKEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000004019579 523794855 /nfs/dbraw/zinc/79/48/55/523794855.db2.gz PPSTTYVKXIGLTN-DWXRJYCRSA-N 0 1 485.536 5.027 50 30 JKEAMN COCCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000004019578 523795596 /nfs/dbraw/zinc/79/55/96/523795596.db2.gz PPSTTYVKXIGLTN-HFJWLAOPSA-N 0 1 485.536 5.027 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009425060 524033457 /nfs/dbraw/zinc/03/34/57/524033457.db2.gz UODSKSSZYPDBHY-XHCCPWGMSA-N 0 1 467.565 5.393 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000009380620 524033839 /nfs/dbraw/zinc/03/38/39/524033839.db2.gz SXQGAXJTTOCVAK-RUZDIDTESA-N 0 1 465.590 5.207 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000000626544 524052390 /nfs/dbraw/zinc/05/23/90/524052390.db2.gz NBRGFQXNTFSXQW-SANMLTNESA-N 0 1 450.538 5.551 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000009380315 524052588 /nfs/dbraw/zinc/05/25/88/524052588.db2.gz SXQGAXJTTOCVAK-VWLOTQADSA-N 0 1 465.590 5.207 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(C)o3)sc2c1 ZINC000009506867 524060028 /nfs/dbraw/zinc/06/00/28/524060028.db2.gz PVVLCLQHRGPDSO-LJQANCHMSA-N 0 1 450.541 5.605 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009073726 524107624 /nfs/dbraw/zinc/10/76/24/524107624.db2.gz WMKKRWRYNIDZBV-HXUWFJFHSA-N 0 1 464.474 5.128 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009270832 524113048 /nfs/dbraw/zinc/11/30/48/524113048.db2.gz QAKYTHKGRIMYAJ-LJQANCHMSA-N 0 1 466.515 5.288 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009073722 524170898 /nfs/dbraw/zinc/17/08/98/524170898.db2.gz WMKKRWRYNIDZBV-FQEVSTJZSA-N 0 1 464.474 5.128 50 30 JKEAMN COc1ccc(Cl)cc1NC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1cccs1 ZINC000021356064 524236552 /nfs/dbraw/zinc/23/65/52/524236552.db2.gz UONNRDVLLZWNEA-XMMPIXPASA-N 0 1 479.989 6.623 50 30 JKEAMN COc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009013861 524387064 /nfs/dbraw/zinc/38/70/64/524387064.db2.gz WXLUNOWIGQHRQV-OAQYLSRUSA-N 0 1 464.861 5.040 50 30 JKEAMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(CC#N)cc3)ccc2Cl)c1 ZINC000016448896 524438687 /nfs/dbraw/zinc/43/86/87/524438687.db2.gz CNUYDJWLDVCCKK-UHFFFAOYSA-N 0 1 453.951 5.076 50 30 JKEAMN Cc1cccc(OCCCOc2ccc([N+](=O)[O-])cc2C=NNc2nc3ccccc3s2)c1 ZINC000009763173 524736934 /nfs/dbraw/zinc/73/69/34/524736934.db2.gz SRJXQSAVCQQZCX-PCLIKHOPSA-N 0 1 462.531 5.807 50 30 JKEAMN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009044031 524890213 /nfs/dbraw/zinc/89/02/13/524890213.db2.gz VVQIJRQWUDFUPP-OAQYLSRUSA-N 0 1 494.500 5.137 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4ccccc4)[C@@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000009375222 524976145 /nfs/dbraw/zinc/97/61/45/524976145.db2.gz JXAAXQIFDARDGC-IZHWHUGBSA-N 0 1 494.374 6.095 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3ccc(Cl)cc3)ccc2O1 ZINC000009464816 524977197 /nfs/dbraw/zinc/97/71/97/524977197.db2.gz FRLZJBRLEXCIQV-SSOJOUAXSA-N 0 1 473.956 5.484 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000009292565 524978680 /nfs/dbraw/zinc/97/86/80/524978680.db2.gz RQIKGWQXVBRHLN-PPHZAIPVSA-N 0 1 481.592 6.086 50 30 JKEAMN Cc1ccc(NC(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2cccs2)cc1C ZINC000021722239 525149314 /nfs/dbraw/zinc/14/93/14/525149314.db2.gz QKOFAMIVQNCZDE-SANMLTNESA-N 0 1 471.626 7.213 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(O)c2)cc1 ZINC000009424628 525172113 /nfs/dbraw/zinc/17/21/13/525172113.db2.gz GJIXZBQGYRICKW-HHHXNRCGSA-N 0 1 495.531 5.651 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 ZINC000009359424 525172285 /nfs/dbraw/zinc/17/22/85/525172285.db2.gz HGKSAOFIQSMGSB-HHHXNRCGSA-N 0 1 491.547 5.143 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1 ZINC000009425097 525172942 /nfs/dbraw/zinc/17/29/42/525172942.db2.gz OBOCAZFKAPCENA-SANMLTNESA-N 0 1 480.520 5.341 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(O)c2)cc1 ZINC000009424629 525173252 /nfs/dbraw/zinc/17/32/52/525173252.db2.gz GJIXZBQGYRICKW-MHZLTWQESA-N 0 1 495.531 5.651 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 ZINC000009359400 525173476 /nfs/dbraw/zinc/17/34/76/525173476.db2.gz DTTBTDCFUDTLRZ-AREMUKBSSA-N 0 1 480.520 5.341 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(O)cc2)cc1 ZINC000009424321 525173606 /nfs/dbraw/zinc/17/36/06/525173606.db2.gz BVXDEMXPHTXNIV-MHZLTWQESA-N 0 1 495.531 5.651 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009424320 525173641 /nfs/dbraw/zinc/17/36/41/525173641.db2.gz BVXDEMXPHTXNIV-HHHXNRCGSA-N 0 1 495.531 5.651 50 30 JKEAMN Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000020850919 525186055 /nfs/dbraw/zinc/18/60/55/525186055.db2.gz WWTCAUWBZRADIR-QFIPXVFZSA-N 0 1 499.467 6.844 50 30 JKEAMN Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C1=C(CC(C)(C)CC1=O)N2 ZINC000020850916 525188520 /nfs/dbraw/zinc/18/85/20/525188520.db2.gz WWTCAUWBZRADIR-JOCHJYFZSA-N 0 1 499.467 6.844 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000009334479 525219363 /nfs/dbraw/zinc/21/93/63/525219363.db2.gz UTSYEMNKESLVKH-HXUWFJFHSA-N 0 1 464.474 5.128 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(Br)cn2)cc1 ZINC000009009674 525221931 /nfs/dbraw/zinc/22/19/31/525221931.db2.gz WEYLYJRUJDUHIR-HXUWFJFHSA-N 0 1 499.748 5.289 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccccc2C)cc1 ZINC000021722886 525226663 /nfs/dbraw/zinc/22/66/63/525226663.db2.gz PSTYGNJMEYYHTE-MUUNZHRXSA-N 0 1 481.596 6.852 50 30 JKEAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000021722437 525228254 /nfs/dbraw/zinc/22/82/54/525228254.db2.gz HLZQMRKTCBLBOV-XHCCPWGMSA-N 0 1 456.542 5.845 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3ccccc3N2C(=O)COc2ccccc2)cc1 ZINC000009429535 525228280 /nfs/dbraw/zinc/22/82/80/525228280.db2.gz RJAPEJAXVQGLQK-ADXZGYQBSA-N 0 1 468.553 5.527 50 30 JKEAMN Cc1cc([O-])c(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000041585240 525313923 /nfs/dbraw/zinc/31/39/23/525313923.db2.gz SSPDNIPNAYMHGC-OYKKKHCWSA-N 0 1 478.951 5.432 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1 ZINC000009334403 525368841 /nfs/dbraw/zinc/36/88/41/525368841.db2.gz IZDQDOPUGMLFHE-VWLOTQADSA-N 0 1 490.987 5.857 50 30 JKEAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000009076295 525393849 /nfs/dbraw/zinc/39/38/49/525393849.db2.gz JAYOIJZNJHJHCR-MMTVBGGISA-N 0 1 472.972 6.269 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000015826272 525394126 /nfs/dbraw/zinc/39/41/26/525394126.db2.gz LHFMJWYWGQCIAW-VWLOTQADSA-N 0 1 458.583 6.214 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000009379684 525398326 /nfs/dbraw/zinc/39/83/26/525398326.db2.gz GXEOHWSJAVCQQL-NGOKVRLYSA-N 0 1 456.517 5.755 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000009058961 525398491 /nfs/dbraw/zinc/39/84/91/525398491.db2.gz CUIQSYULMXNJDN-IIMAJNMQSA-N 0 1 498.579 5.633 50 30 JKEAMN COc1ccc([C@H]2c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000020556888 525440563 /nfs/dbraw/zinc/44/05/63/525440563.db2.gz QHUMQBGNKMQSFQ-OAQYLSRUSA-N 0 1 474.517 5.203 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000009375099 525517583 /nfs/dbraw/zinc/51/75/83/525517583.db2.gz REVFUVPDYVJNTK-NGOKVRLYSA-N 0 1 495.619 6.129 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000009292564 525518032 /nfs/dbraw/zinc/51/80/32/525518032.db2.gz RQIKGWQXVBRHLN-WINIVTDRSA-N 0 1 481.592 6.086 50 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COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000009271248 525670773 /nfs/dbraw/zinc/67/07/73/525670773.db2.gz GNJNMECXFZJEOD-NRFANRHFSA-N 0 1 476.941 5.741 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Cl)c3)nc2c(C)c1 ZINC000009339490 525698117 /nfs/dbraw/zinc/69/81/17/525698117.db2.gz CQIAIKNYFYHNSF-HXUWFJFHSA-N 0 1 464.930 5.942 50 30 JKEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000009185724 525784279 /nfs/dbraw/zinc/78/42/79/525784279.db2.gz AATLUWVDOJGLFP-LJQANCHMSA-N 0 1 459.285 5.081 50 30 JKEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009313092 525789533 /nfs/dbraw/zinc/78/95/33/525789533.db2.gz BLMDKLPFQSOYSU-AFMDSPMNSA-N 0 1 453.538 5.139 50 30 JKEAMN Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)NCc2ccco2)cc1 ZINC000021722117 525790550 /nfs/dbraw/zinc/79/05/50/525790550.db2.gz RIFHQKRGHQOCFB-AREMUKBSSA-N 0 1 455.558 6.114 50 30 JKEAMN 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Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(Cl)cc2)o1 ZINC000009235486 526026795 /nfs/dbraw/zinc/02/67/95/526026795.db2.gz NSXYJLKELKQAPQ-NRFANRHFSA-N 0 1 478.957 6.251 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009329608 526027290 /nfs/dbraw/zinc/02/72/90/526027290.db2.gz VYNGFOYIGMKLAO-NRFANRHFSA-N 0 1 482.414 5.705 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 ZINC000009424341 526027902 /nfs/dbraw/zinc/02/79/02/526027902.db2.gz SRIIENURHIPDFI-XMMPIXPASA-N 0 1 470.481 5.246 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009329609 526028249 /nfs/dbraw/zinc/02/82/49/526028249.db2.gz VYNGFOYIGMKLAO-OAQYLSRUSA-N 0 1 482.414 5.705 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(F)cc2)o1 ZINC000009042103 526028351 /nfs/dbraw/zinc/02/83/51/526028351.db2.gz MSJINNIXUJTZTC-OAQYLSRUSA-N 0 1 462.502 5.737 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000009472395 526028445 /nfs/dbraw/zinc/02/84/45/526028445.db2.gz KUFSKCFDFNNBFL-HXUWFJFHSA-N 0 1 470.294 5.268 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000009008426 526030282 /nfs/dbraw/zinc/03/02/82/526030282.db2.gz FYFWOLCKMWJYPM-NRFANRHFSA-N 0 1 462.477 5.666 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000009070973 526030627 /nfs/dbraw/zinc/03/06/27/526030627.db2.gz FYFWOLCKMWJYPM-OAQYLSRUSA-N 0 1 462.477 5.666 50 30 JKEAMN CSc1cccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2cccs2)c1 ZINC000021722950 526124394 /nfs/dbraw/zinc/12/43/94/526124394.db2.gz YMHHWVCDCHOBTO-XMMPIXPASA-N 0 1 461.612 6.682 50 30 JKEAMN CSc1cccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2cccs2)c1 ZINC000021722948 526124725 /nfs/dbraw/zinc/12/47/25/526124725.db2.gz YMHHWVCDCHOBTO-DEOSSOPVSA-N 0 1 461.612 6.682 50 30 JKEAMN 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O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 ZINC000009271305 526269269 /nfs/dbraw/zinc/26/92/69/526269269.db2.gz ORTAMXCFVBXLMG-SANMLTNESA-N 0 1 496.950 6.306 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000009271357 526269553 /nfs/dbraw/zinc/26/95/53/526269553.db2.gz CRCLZOKFTVHFET-IBGZPJMESA-N 0 1 469.722 5.280 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000009462582 526270339 /nfs/dbraw/zinc/27/03/39/526270339.db2.gz YECJESNZYXSILU-HXUWFJFHSA-N 0 1 458.728 6.430 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000009302060 526270548 /nfs/dbraw/zinc/27/05/48/526270548.db2.gz FXZSDGFQRAHCGD-HXUWFJFHSA-N 0 1 466.440 5.497 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(F)c1)c1ccc(F)cc1 ZINC000009302061 526270640 /nfs/dbraw/zinc/27/06/40/526270640.db2.gz FXZSDGFQRAHCGD-FQEVSTJZSA-N 0 1 466.440 5.497 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000009014817 526270677 /nfs/dbraw/zinc/27/06/77/526270677.db2.gz HTZHNPQQIUMXQJ-FQEVSTJZSA-N 0 1 479.286 5.140 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(Cl)c1)c1ccccc1 ZINC000009271275 526270893 /nfs/dbraw/zinc/27/08/93/526270893.db2.gz XCEYMPALRUCDDU-FQEVSTJZSA-N 0 1 464.905 5.872 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000009302028 526270954 /nfs/dbraw/zinc/27/09/54/526270954.db2.gz UPHRWBFTZACGTH-FQEVSTJZSA-N 0 1 499.350 6.525 50 30 JKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000000718088 526287508 /nfs/dbraw/zinc/28/75/08/526287508.db2.gz DAUXWKPLXFVIIO-PIIWDFAUSA-N 0 1 486.974 6.790 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000020615384 526321655 /nfs/dbraw/zinc/32/16/55/526321655.db2.gz VBWFWBTWJMGRCD-PTXOJBNSSA-N 0 1 473.379 6.323 50 30 JKEAMN 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CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cccs1 ZINC000000718138 553770453 /nfs/dbraw/zinc/77/04/53/553770453.db2.gz IKQRYZMCLVNHLZ-ACSYHNTCSA-N 0 1 484.665 7.356 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000000718211 553770470 /nfs/dbraw/zinc/77/04/70/553770470.db2.gz PNUSRDRSZUNQKB-XHCCPWGMSA-N 0 1 486.593 5.845 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000718210 553770484 /nfs/dbraw/zinc/77/04/84/553770484.db2.gz PNUSRDRSZUNQKB-PPHZAIPVSA-N 0 1 486.593 5.845 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000000856605 553800516 /nfs/dbraw/zinc/80/05/16/553800516.db2.gz XGWZNXNOSBEPQS-FQEVSTJZSA-N 0 1 479.286 5.140 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccccc1OCc1ccccc1 ZINC000000857639 553800825 /nfs/dbraw/zinc/80/08/25/553800825.db2.gz VNWBBZLKGQYBDB-GDLZYMKVSA-N 0 1 466.581 6.429 50 30 JKEAMN 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CC(C)Oc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000001295269 553940675 /nfs/dbraw/zinc/94/06/75/553940675.db2.gz JUKBKVUANDXKQS-QHCPKHFHSA-N 0 1 472.507 6.179 50 30 JKEAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccc(C)cc3N2C(=O)C(C)C)cc1 ZINC000001409177 553966663 /nfs/dbraw/zinc/96/66/63/553966663.db2.gz WSGRMZHZXFIYGB-JHOBJCJYSA-N 0 1 480.608 6.560 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(F)c2)cc1 ZINC000001411036 553966956 /nfs/dbraw/zinc/96/69/56/553966956.db2.gz HUCBYHRHFBNAMN-AREMUKBSSA-N 0 1 484.527 5.527 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 ZINC000001413497 553967917 /nfs/dbraw/zinc/96/79/17/553967917.db2.gz LMWMXZCWFSYBNL-RUZDIDTESA-N 0 1 470.500 5.137 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C)cc2)cc1 ZINC000001414685 553968359 /nfs/dbraw/zinc/96/83/59/553968359.db2.gz LJDTWMZGGBHCEZ-SANMLTNESA-N 0 1 450.538 5.606 50 30 JKEAMN 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CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000008385240 554568476 /nfs/dbraw/zinc/56/84/76/554568476.db2.gz LFTLBHJODOJHIJ-MHZLTWQESA-N 0 1 459.634 6.332 50 30 JKEAMN CC(=O)Nc1cc(Nc2ccccc2/N=C\c2cc3ccccc3[nH]2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000008385597 554568659 /nfs/dbraw/zinc/56/86/59/554568659.db2.gz QQRDQEXOKWNFCZ-CFRMEGHHSA-N 0 1 458.434 5.437 50 30 JKEAMN O=c1nc(Nc2ccccc2)ccn1C(/N=C(/Cl)c1ccccc1)C(Cl)(Cl)Cl ZINC000008397356 554572414 /nfs/dbraw/zinc/57/24/14/554572414.db2.gz OWWPVCCHSWEGEZ-GNYKCMPYSA-N 0 1 456.160 5.541 50 30 JKEAMN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000008432128 554585341 /nfs/dbraw/zinc/58/53/41/554585341.db2.gz HGTZGUAMVXEBHW-XMMPIXPASA-N 0 1 486.534 6.571 50 30 JKEAMN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000008432516 554585806 /nfs/dbraw/zinc/58/58/06/554585806.db2.gz JOKLTBFCQNKXMC-MHZLTWQESA-N 0 1 460.618 6.665 50 30 JKEAMN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 ZINC000008432514 554585866 /nfs/dbraw/zinc/58/58/66/554585866.db2.gz JOKLTBFCQNKXMC-HHHXNRCGSA-N 0 1 460.618 6.665 50 30 JKEAMN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)cc1 ZINC000008441573 554591506 /nfs/dbraw/zinc/59/15/06/554591506.db2.gz QMCOEIRILVZNDN-VWLOTQADSA-N 0 1 489.524 5.008 50 30 JKEAMN Fc1ccc(Nc2nc(=NN=Cc3ccc(-c4cccc(Cl)c4)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000008443297 554592932 /nfs/dbraw/zinc/59/29/32/554592932.db2.gz ZVKIXFOBIXHTHR-LQKURTRISA-N 0 1 491.958 6.104 50 30 JKEAMN CCCCOc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 ZINC000008443883 554593316 /nfs/dbraw/zinc/59/33/16/554593316.db2.gz SZPZENFVPMQHFL-DEOSSOPVSA-N 0 1 486.534 6.571 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000008738393 554639816 /nfs/dbraw/zinc/63/98/16/554639816.db2.gz AWWVYLLSOMZOQN-HXUWFJFHSA-N 0 1 457.288 5.306 50 30 JKEAMN O=C(c1cccs1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000008740496 554642673 /nfs/dbraw/zinc/64/26/73/554642673.db2.gz JYEJWPXOGQCXCE-DEOSSOPVSA-N 0 1 468.534 5.714 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008740829 554642832 /nfs/dbraw/zinc/64/28/32/554642832.db2.gz YUDKKBPKUNRZSP-VWLOTQADSA-N 0 1 470.569 5.556 50 30 JKEAMN CCOC(=O)c1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000008741536 554643986 /nfs/dbraw/zinc/64/39/86/554643986.db2.gz WRKGYNSHOUAKIR-RIACQAHJSA-N 0 1 473.554 5.028 50 30 JKEAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@@H]3c3ccccc3F)C2)cc1 ZINC000008753368 554655097 /nfs/dbraw/zinc/65/50/97/554655097.db2.gz QHUNUSHHAVPZPI-HFJWLAOPSA-N 0 1 494.488 6.597 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000008766747 554667290 /nfs/dbraw/zinc/66/72/90/554667290.db2.gz OBKLFTRSMQPSCU-OLILMLBXSA-N 0 1 486.999 6.659 50 30 JKEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000008772004 554671867 /nfs/dbraw/zinc/67/18/67/554671867.db2.gz ZKGLTWLCZPWAAF-IBGZPJMESA-N 0 1 494.569 5.220 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000008775527 554673910 /nfs/dbraw/zinc/67/39/10/554673910.db2.gz VVPYPYXWGBINGJ-SANMLTNESA-N 0 1 466.537 5.306 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)nc1C ZINC000008779303 554676608 /nfs/dbraw/zinc/67/66/08/554676608.db2.gz QUJAVJOFKOUTGH-MRXNPFEDSA-N 0 1 488.974 5.126 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008817031 554699315 /nfs/dbraw/zinc/69/93/15/554699315.db2.gz TXXAPMZIVHGFTQ-OAQYLSRUSA-N 0 1 489.484 5.435 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008817797 554700888 /nfs/dbraw/zinc/70/08/88/554700888.db2.gz FMNXEDKLHRUIFA-NRFANRHFSA-N 0 1 462.477 5.666 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000008817969 554701229 /nfs/dbraw/zinc/70/12/29/554701229.db2.gz XUWUBFYWAYPENU-LJQANCHMSA-N 0 1 450.516 5.588 50 30 JKEAMN CCN(CC)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccco3)C2)cc1 ZINC000008818282 554701980 /nfs/dbraw/zinc/70/19/80/554701980.db2.gz ORADDLQDUCYHLG-ONOMSOESSA-N 0 1 469.585 6.046 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(N(CC)CC)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000008818345 554702199 /nfs/dbraw/zinc/70/21/99/554702199.db2.gz LFNSOXOCLMWLJJ-URAOTHONSA-N 0 1 483.612 6.436 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1C ZINC000008836570 554736660 /nfs/dbraw/zinc/73/66/60/554736660.db2.gz KLTYYCFISGDLFK-QFIPXVFZSA-N 0 1 483.351 5.484 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000008838155 554739511 /nfs/dbraw/zinc/73/95/11/554739511.db2.gz JYDJQWJSOOCYCO-SFHVURJKSA-N 0 1 469.906 5.104 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)sc1C ZINC000008838154 554739530 /nfs/dbraw/zinc/73/95/30/554739530.db2.gz JYDJQWJSOOCYCO-GOSISDBHSA-N 0 1 469.906 5.104 50 30 JKEAMN C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OC ZINC000008845568 554743149 /nfs/dbraw/zinc/74/31/49/554743149.db2.gz UIGUHBLDTBVMNS-SANMLTNESA-N 0 1 471.513 5.003 50 30 JKEAMN C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)ccc3O)C(=O)N2Cc2ccco2)cc1OCC ZINC000008845565 554743195 /nfs/dbraw/zinc/74/31/95/554743195.db2.gz LSPYKOWDASTCPL-HHHXNRCGSA-N 0 1 485.540 5.393 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000008846347 554744645 /nfs/dbraw/zinc/74/46/45/554744645.db2.gz HJVDHUXLZCNWGS-GPNASLBKSA-N 0 1 496.626 7.615 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000008846342 554744701 /nfs/dbraw/zinc/74/47/01/554744701.db2.gz DPTZNFDKZZJSQT-RCRUUEGKSA-N 0 1 468.597 7.069 50 30 JKEAMN CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000008894327 554783316 /nfs/dbraw/zinc/78/33/16/554783316.db2.gz QKQNHLQTBLJEOR-HSZRJFAPSA-N 0 1 488.565 6.023 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3cccc([N+](=O)[O-])c3)sc2c1 ZINC000008894651 554783957 /nfs/dbraw/zinc/78/39/57/554783957.db2.gz YQSQGGMBXDGGMK-NRFANRHFSA-N 0 1 489.509 5.451 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000008896164 554785659 /nfs/dbraw/zinc/78/56/59/554785659.db2.gz WGTGZPRVVULFHD-OAQYLSRUSA-N 0 1 462.477 5.666 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008896080 554785681 /nfs/dbraw/zinc/78/56/81/554785681.db2.gz HXLMGNIXMTUWFS-NRFANRHFSA-N 0 1 497.345 5.317 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1Cl ZINC000008896231 554785825 /nfs/dbraw/zinc/78/58/25/554785825.db2.gz JHNDYXWIRPICLT-KRWDZBQOSA-N 0 1 460.964 5.266 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000008896814 554786771 /nfs/dbraw/zinc/78/67/71/554786771.db2.gz DDBCUTOZRBOAQU-QFIPXVFZSA-N 0 1 476.504 5.920 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Br)c2)cc1 ZINC000008896765 554786809 /nfs/dbraw/zinc/78/68/09/554786809.db2.gz CJLSZWAQOKMXRY-QFIPXVFZSA-N 0 1 493.357 5.414 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000008903330 554797489 /nfs/dbraw/zinc/79/74/89/554797489.db2.gz DLMQAMCWUDKUPW-HXUWFJFHSA-N 0 1 493.447 5.266 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008903929 554798204 /nfs/dbraw/zinc/79/82/04/554798204.db2.gz WNXCFQRAKHJHOY-LJQANCHMSA-N 0 1 450.516 5.588 50 30 JKEAMN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008904254 554798532 /nfs/dbraw/zinc/79/85/32/554798532.db2.gz MVQJLOVQZAPWMO-NRFANRHFSA-N 0 1 478.932 6.180 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008914642 554807622 /nfs/dbraw/zinc/80/76/22/554807622.db2.gz UWGDWUSPJZSZHY-QFIPXVFZSA-N 0 1 490.537 5.252 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cc(OC)ccc3OC)sc2c1 ZINC000008915016 554808087 /nfs/dbraw/zinc/80/80/87/554808087.db2.gz UWGDWUSPJZSZHY-JOCHJYFZSA-N 0 1 490.537 5.252 50 30 JKEAMN C=CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)Nc2ccccc2)n1 ZINC000008916147 554810605 /nfs/dbraw/zinc/81/06/05/554810605.db2.gz BGWWXTSCKDXATE-UHFFFAOYSA-N 0 1 464.934 5.659 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1 ZINC000008919476 554816254 /nfs/dbraw/zinc/81/62/54/554816254.db2.gz ZJXVULKFQRSZCQ-OAQYLSRUSA-N 0 1 460.511 5.379 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008920987 554817702 /nfs/dbraw/zinc/81/77/02/554817702.db2.gz UZWQKYXSNUKBOH-LJQANCHMSA-N 0 1 497.370 5.253 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008921188 554817894 /nfs/dbraw/zinc/81/78/94/554817894.db2.gz IFFUCWBAXBLFJQ-JOCHJYFZSA-N 0 1 490.968 6.131 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008922367 554819146 /nfs/dbraw/zinc/81/91/46/554819146.db2.gz VHFZKOOQMVOTSL-WHLCRQNOSA-N 0 1 485.515 6.045 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2cccnc2)cc1 ZINC000008964789 554838642 /nfs/dbraw/zinc/83/86/42/554838642.db2.gz UMIGXZBJCSTTLB-SMSORMJASA-N 0 1 481.596 6.037 50 30 biogenic JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008973726 554845234 /nfs/dbraw/zinc/84/52/34/554845234.db2.gz VGUNRKUVEOIIIR-NRFANRHFSA-N 0 1 478.932 6.180 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1 ZINC000008981204 554847066 /nfs/dbraw/zinc/84/70/66/554847066.db2.gz FPARVFJAASOQJA-NRFANRHFSA-N 0 1 460.486 5.227 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@H]3c3ccccc3)sc2c1 ZINC000008988061 554850465 /nfs/dbraw/zinc/85/04/65/554850465.db2.gz MSYDUEXKRMCRIQ-OAQYLSRUSA-N 0 1 476.941 5.741 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000008995676 554856318 /nfs/dbraw/zinc/85/63/18/554856318.db2.gz VYMHFDOAMASPMG-QFIPXVFZSA-N 0 1 474.479 5.409 50 30 JKEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000008996265 554856964 /nfs/dbraw/zinc/85/69/64/554856964.db2.gz MAUUSMMBZQWLDF-HXUWFJFHSA-N 0 1 455.297 5.180 50 30 JKEAMN COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)c(Cl)c2)c1 ZINC000008996264 554856972 /nfs/dbraw/zinc/85/69/72/554856972.db2.gz MAUUSMMBZQWLDF-FQEVSTJZSA-N 0 1 455.297 5.180 50 30 JKEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008996712 554857716 /nfs/dbraw/zinc/85/77/16/554857716.db2.gz JYJCMDZFJPCSLP-FQEVSTJZSA-N 0 1 494.544 5.284 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996845 554857957 /nfs/dbraw/zinc/85/79/57/554857957.db2.gz QGJZWXXPAHBVIR-JOCHJYFZSA-N 0 1 474.538 5.633 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(F)c2)cc1 ZINC000009086513 554888836 /nfs/dbraw/zinc/88/88/36/554888836.db2.gz DZVOUJLBMPENSE-NGOKVRLYSA-N 0 1 456.517 5.755 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3ccc(Br)cc3)ccc2O1 ZINC000009324672 555097368 /nfs/dbraw/zinc/09/73/68/555097368.db2.gz YRPJLPAOBXMXFF-CWTRNNRKSA-N 0 1 497.370 5.012 50 30 JKEAMN COc1ccc(OCCOc2cccc(C(F)(F)F)c2)c(C=NNc2nc3ccccc3s2)c1 ZINC000009424953 555189667 /nfs/dbraw/zinc/18/96/67/555189667.db2.gz GKNXPYUXWXJOCV-RWPZCVJISA-N 0 1 487.503 6.228 50 30 JKEAMN CC[C@H](C)c1ccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000009459102 555226902 /nfs/dbraw/zinc/22/69/02/555226902.db2.gz QDJXTCFKKXHBFF-MJDZGMBVSA-N 0 1 468.626 7.290 50 30 JKEAMN C=CCc1ccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)c(OC)c1 ZINC000009459538 555227113 /nfs/dbraw/zinc/22/71/13/555227113.db2.gz PLXWAFZIDCLQTJ-RDRPBHBLSA-N 0 1 482.609 6.513 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(OC(C)C)cc2)no1 ZINC000009461336 555228765 /nfs/dbraw/zinc/22/87/65/555228765.db2.gz CMEQQSUMIQJFNF-QHCPKHFHSA-N 0 1 458.470 5.299 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@@H]3c3cccnc3)cc2)c1 ZINC000009462895 555232194 /nfs/dbraw/zinc/23/21/94/555232194.db2.gz KRQAKOQEBNTJNG-HHHXNRCGSA-N 0 1 491.547 5.143 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccncc4)[C@H]3c3cccnc3)cc2)c1 ZINC000009462898 555232216 /nfs/dbraw/zinc/23/22/16/555232216.db2.gz KRQAKOQEBNTJNG-MHZLTWQESA-N 0 1 491.547 5.143 50 30 JKEAMN Cc1cc2nc(-c3cccc(/N=C/c4cc(Cl)cc(Br)c4O)c3)oc2cc1C ZINC000009659810 555363293 /nfs/dbraw/zinc/36/32/93/555363293.db2.gz WXOWDCAOWFKBPP-OPEKNORGSA-N 0 1 455.739 6.984 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000013549197 555490744 /nfs/dbraw/zinc/49/07/44/555490744.db2.gz JQHQBKJHOWVEPU-QFIPXVFZSA-N 0 1 457.954 5.052 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Cl)c2)nc1C ZINC000013549731 555491041 /nfs/dbraw/zinc/49/10/41/555491041.db2.gz ANLQUFYVKPSBIZ-INIZCTEOSA-N 0 1 488.974 5.126 50 30 JKEAMN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cc(Br)cc(Br)c1O ZINC000013549701 555491090 /nfs/dbraw/zinc/49/10/90/555491090.db2.gz DSIPCANHRNNXKV-MLPAPPSSSA-N 0 1 488.588 5.462 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1C ZINC000013550261 555491254 /nfs/dbraw/zinc/49/12/54/555491254.db2.gz PTDZOZGUYOSANI-VWLOTQADSA-N 0 1 490.987 6.001 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000013553071 555493224 /nfs/dbraw/zinc/49/32/24/555493224.db2.gz XFRSZQFSPLVBPC-HHHXNRCGSA-N 0 1 492.531 5.661 50 30 JKEAMN S=c1[nH]nc(-c2ccccc2Br)n1N=Cc1cccc(Oc2ccccc2)c1 ZINC000019833861 555506421 /nfs/dbraw/zinc/50/64/21/555506421.db2.gz BKFWZNHBEZLHDK-OEAKJJBVSA-N 0 1 451.349 6.045 50 30 JKEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 ZINC000013569158 555507559 /nfs/dbraw/zinc/50/75/59/555507559.db2.gz YHWMCVKQXDWTGG-AREMUKBSSA-N 0 1 496.588 5.809 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000013571587 555510001 /nfs/dbraw/zinc/51/00/01/555510001.db2.gz OOVLMEFOTCOBFV-IBGZPJMESA-N 0 1 469.722 5.280 50 30 JKEAMN CCCCC1S/C(=N/N=C/c2cc(Br)ccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000013584200 555521625 /nfs/dbraw/zinc/52/16/25/555521625.db2.gz HOBNKNFDAAXNQZ-PQSQLZRBSA-N 0 1 492.414 5.621 50 30 JKEAMN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000013614639 555535690 /nfs/dbraw/zinc/53/56/90/555535690.db2.gz FUEPIRKBOKHUFN-JOWZZTKRSA-N 0 1 460.515 5.068 50 30 JKEAMN CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000013654682 555554686 /nfs/dbraw/zinc/55/46/86/555554686.db2.gz OAMNMKOFZPJRSV-YCYZHRCESA-N 0 1 460.574 5.470 50 30 JKEAMN N#CC(C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1 ZINC000013801270 555621919 /nfs/dbraw/zinc/62/19/19/555621919.db2.gz NXMWATFJGLJSEA-AREMUKBSSA-N 0 1 489.623 5.055 50 30 JKEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020065384 555625222 /nfs/dbraw/zinc/62/52/22/555625222.db2.gz UPAVOFKNNOJCHR-HHHXNRCGSA-N 0 1 484.596 5.022 50 30 JKEAMN Cc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020065384 555625228 /nfs/dbraw/zinc/62/52/28/555625228.db2.gz UPAVOFKNNOJCHR-HHHXNRCGSA-N 0 1 484.596 5.022 50 30 JKEAMN BrC(/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)=C\c1ccccc1 ZINC000020080770 555629773 /nfs/dbraw/zinc/62/97/73/555629773.db2.gz AUSBEOZKCOXIJT-QIPNQRGUSA-N 0 1 460.419 5.815 50 30 JKEAMN CCN1CCN(c2cc(C)c3cc(NC(=O)C=Cc4cccc(OC)c4OC)ccc3n2)CC1 ZINC000020108685 555643786 /nfs/dbraw/zinc/64/37/86/555643786.db2.gz XKABEZNWSNKCAL-FMIVXFBMSA-N 0 1 460.578 5.004 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2ccc(F)cc2)cc1 ZINC000013943411 555654762 /nfs/dbraw/zinc/65/47/62/555654762.db2.gz DTLPAZMSUHXOIQ-UVDDSOTQSA-N 0 1 498.598 6.781 50 30 JKEAMN CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1O ZINC000020175578 555681577 /nfs/dbraw/zinc/68/15/77/555681577.db2.gz PINDMLNUGUJJRF-QHCPKHFHSA-N 0 1 451.523 5.538 50 30 JKEAMN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3ccc(Cl)cc3Cl)n[nH]1)CCCCC2 ZINC000012539165 556012447 /nfs/dbraw/zinc/01/24/47/556012447.db2.gz MSGPMAWYSDSIPY-UHFFFAOYSA-N 0 1 478.430 5.711 50 30 JKEAMN C[C@H](Sc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1Cl ZINC000015859793 556031378 /nfs/dbraw/zinc/03/13/78/556031378.db2.gz LOSDZVNNYVGCEX-AWEZNQCLSA-N 0 1 466.994 5.791 50 30 JKEAMN CCc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859819 556031472 /nfs/dbraw/zinc/03/14/72/556031472.db2.gz VXPHAPXKUVORRX-AWEZNQCLSA-N 0 1 452.967 5.364 50 30 JKEAMN COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859827 556031489 /nfs/dbraw/zinc/03/14/89/556031489.db2.gz UHECMLGWGICZEF-NSHDSACASA-N 0 1 475.357 5.156 50 30 JKEAMN COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1 ZINC000015859826 556031510 /nfs/dbraw/zinc/03/15/10/556031510.db2.gz UHECMLGWGICZEF-LLVKDONJSA-N 0 1 475.357 5.156 50 30 JKEAMN C[C@@H](Sc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1Cl ZINC000015859792 556031516 /nfs/dbraw/zinc/03/15/16/556031516.db2.gz LOSDZVNNYVGCEX-CQSZACIVSA-N 0 1 466.994 5.791 50 30 JKEAMN N#Cc1c2c(sc1/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-])C[N@H+](Cc1ccccc1)CC2 ZINC000023411625 556052478 /nfs/dbraw/zinc/05/24/78/556052478.db2.gz WLXKBZKVJMXPLB-GATIEOLUSA-N 0 1 497.374 5.305 50 30 JKEAMN N#Cc1c2c(sc1/N=C\c1cc(Br)cc([N+](=O)[O-])c1[O-])C[N@@H+](Cc1ccccc1)CC2 ZINC000023411625 556052481 /nfs/dbraw/zinc/05/24/81/556052481.db2.gz WLXKBZKVJMXPLB-GATIEOLUSA-N 0 1 497.374 5.305 50 30 JKEAMN CN(C)[C@@H](CN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000012628460 556093054 /nfs/dbraw/zinc/09/30/54/556093054.db2.gz MZRFXPHVZPMTEA-UGKGYDQZSA-N 0 1 466.990 5.283 50 30 JKEAMN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccco4)Cc4ccc(OC)c(OC)c4)[C@H]3C[C@@H]12 ZINC000012866735 556120677 /nfs/dbraw/zinc/12/06/77/556120677.db2.gz ZMOGVWVUKQZPKM-RJWKWEOPSA-N 0 1 479.617 5.613 50 30 biogenic JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000024117413 556122237 /nfs/dbraw/zinc/12/22/37/556122237.db2.gz WDGHFOPWUJTDQV-HXUWFJFHSA-N 0 1 497.806 5.185 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000024117413 556122239 /nfs/dbraw/zinc/12/22/39/556122239.db2.gz WDGHFOPWUJTDQV-HXUWFJFHSA-N 0 1 497.806 5.185 50 30 JKEAMN CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000024147897 556124060 /nfs/dbraw/zinc/12/40/60/556124060.db2.gz WDEWQBNCZYAILQ-MHZLTWQESA-N 0 1 496.563 5.152 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000016805633 556161691 /nfs/dbraw/zinc/16/16/91/556161691.db2.gz JJBADZBDEBWGNS-QHCPKHFHSA-N 0 1 471.981 5.477 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCOC)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016805771 556162084 /nfs/dbraw/zinc/16/20/84/556162084.db2.gz LYMICHHYFRHBKV-SANMLTNESA-N 0 1 485.536 5.268 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000016946376 556183251 /nfs/dbraw/zinc/18/32/51/556183251.db2.gz VHFZKOOQMVOTSL-HMILPKGGSA-N 0 1 485.515 6.045 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2cccc(F)c2)cc1 ZINC000016993654 556197986 /nfs/dbraw/zinc/19/79/86/556197986.db2.gz IRRZPXCAJARDIP-OAQYLSRUSA-N 0 1 455.407 5.936 50 30 JKEAMN CC1(C)CC(=O)C(=CNc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)C(=O)C1 ZINC000013062617 556257822 /nfs/dbraw/zinc/25/78/22/556257822.db2.gz PPQKURWMMVPNKG-UHFFFAOYSA-N 0 1 467.374 5.048 50 30 JKEAMN Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2sc3c(c2C#N)CCCC3)c1 ZINC000027520280 556283313 /nfs/dbraw/zinc/28/33/13/556283313.db2.gz NFYCWQHGGDGCQF-GNVQSUKOSA-N 0 1 455.539 5.744 50 30 JKEAMN COc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1CSc1ccccn1 ZINC000027520752 556283665 /nfs/dbraw/zinc/28/36/65/556283665.db2.gz OBJBLSYZSBQVRT-OPEKNORGSA-N 0 1 452.794 6.789 50 30 JKEAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000018122974 556291089 /nfs/dbraw/zinc/29/10/89/556291089.db2.gz NXTQXTCAKTWGHY-NDEPHWFRSA-N 0 1 465.597 6.209 50 30 JKEAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018143896 556293652 /nfs/dbraw/zinc/29/36/52/556293652.db2.gz WXEAZZFEJONOEK-BNHRFMORSA-N 0 1 496.626 7.615 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000018159157 556296210 /nfs/dbraw/zinc/29/62/10/556296210.db2.gz IBOGDIMUYJIEHW-PPHZAIPVSA-N 0 1 460.936 6.400 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000018190108 556300361 /nfs/dbraw/zinc/30/03/61/556300361.db2.gz BQNPOLCBZCCWGQ-PPHZAIPVSA-N 0 1 477.391 6.914 50 30 JKEAMN O=C1CCCC2=C1[C@H](c1cccc(Cl)c1Cl)n1nc(SCc3ccccn3)nc1N2 ZINC000018198809 556306035 /nfs/dbraw/zinc/30/60/35/556306035.db2.gz DYODENUATHRHGM-IBGZPJMESA-N 0 1 458.374 5.294 50 30 JKEAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000018203759 556309351 /nfs/dbraw/zinc/30/93/51/556309351.db2.gz XMCUISIXYCDHFZ-LGGPFLRQSA-N 0 1 494.978 7.147 50 30 JKEAMN Cc1ccccc1OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000027988903 556311277 /nfs/dbraw/zinc/31/12/77/556311277.db2.gz UBBMZRNBMJFAMR-DEOSSOPVSA-N 0 1 496.390 6.349 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000027988923 556311360 /nfs/dbraw/zinc/31/13/60/556311360.db2.gz ZLTBJWISBCTEMQ-HSZRJFAPSA-N 0 1 495.362 5.732 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OCCCC)c1 ZINC000018250068 556316289 /nfs/dbraw/zinc/31/62/89/556316289.db2.gz WMDXJCIHSAHGSX-SSEXGKCCSA-N 0 1 488.672 7.589 50 30 JKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+](C)Cc3ccccc3)C2=O)c2cc(OC)ccc21 ZINC000028182804 556316862 /nfs/dbraw/zinc/31/68/62/556316862.db2.gz SGRIDURZBZHTAS-VYYCAZPPSA-N 0 1 468.553 5.624 50 30 JKEAMN CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2cc(OC)ccc21 ZINC000028182820 556316962 /nfs/dbraw/zinc/31/69/62/556316962.db2.gz OAMNMKOFZPJRSV-FMOHEFILSA-N 0 1 460.574 5.470 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000018276134 556318275 /nfs/dbraw/zinc/31/82/75/556318275.db2.gz CEBSZZPTBSXEMS-MHZLTWQESA-N 0 1 483.637 6.709 50 30 JKEAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000018286658 556319282 /nfs/dbraw/zinc/31/92/82/556319282.db2.gz KSDJXFDPWRHOGJ-MUUNZHRXSA-N 0 1 483.587 6.349 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(N(C)C)cc3)C2)[C@H]1c1cccs1 ZINC000018324926 556319931 /nfs/dbraw/zinc/31/99/31/556319931.db2.gz DMWDXODJVBEXCB-XHCCPWGMSA-N 0 1 457.599 5.735 50 30 JKEAMN COc1cc(/C=N/N2CCN(Cc3cccc4ccccc43)CC2)ccc1OCc1ccccc1 ZINC000019594640 556356540 /nfs/dbraw/zinc/35/65/40/556356540.db2.gz AGUKFXNORFBVEF-NJZRLIGZSA-N 0 1 465.597 5.579 50 30 JKEAMN CCn1c2ccccc2c2cc(/C=N/N3CCN(C4c5ccccc5-c5ccccc54)CC3)ccc21 ZINC000019682503 556359760 /nfs/dbraw/zinc/35/97/60/556359760.db2.gz WRYRYVFRBIBJBV-STKMKYKTSA-N 0 1 470.620 6.536 50 30 JKEAMN COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)ccc1OCc1ccccc1 ZINC000019682292 556359851 /nfs/dbraw/zinc/35/98/51/556359851.db2.gz QHHMOASXEAKBQY-STKMKYKTSA-N 0 1 489.619 5.996 50 30 JKEAMN CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc([N+](=O)[O-])c1O ZINC000019794796 556373831 /nfs/dbraw/zinc/37/38/31/556373831.db2.gz DMMXWKBYJTVHEB-QLXKLKPCSA-N 0 1 471.513 5.679 50 30 JKEAMN BrC(/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)=C\c1ccccc1 ZINC000019807988 556379313 /nfs/dbraw/zinc/37/93/13/556379313.db2.gz ISGBSPLELUKAAH-GRJNBTBRSA-N 0 1 458.403 5.796 50 30 JKEAMN CN(C)c1ccc(C=Nn2c(=S)[nH]nc2CCN2c3ccccc3Sc3ccccc32)cc1 ZINC000019808740 556379743 /nfs/dbraw/zinc/37/97/43/556379743.db2.gz OPPNIQKHYFHNGA-YZSQISJMSA-N 0 1 472.643 5.734 50 30 JKEAMN N#Cc1c(=O)[nH]c(SCC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 ZINC000031773900 556403952 /nfs/dbraw/zinc/40/39/52/556403952.db2.gz QTQZHSLOWZJSQY-UHFFFAOYSA-N 0 1 450.734 5.656 50 30 JKEAMN Cc1cc(/N=C/c2cc(Br)cc(Cl)c2O)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114622 556421381 /nfs/dbraw/zinc/42/13/81/556421381.db2.gz JPMLUXOJELDTIE-RPPGKUMJSA-N 0 1 483.749 6.866 50 30 JKEAMN CCCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000043552821 563170392 /nfs/dbraw/zinc/17/03/92/563170392.db2.gz HQRBTQCLRRUGMR-RUZDIDTESA-O 0 1 496.690 6.075 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000008440071 569589915 /nfs/dbraw/zinc/58/99/15/569589915.db2.gz DOBYDZAPWUHOSS-NDEPHWFRSA-N 0 1 475.544 6.566 50 30 JKEAMN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000008440098 569590036 /nfs/dbraw/zinc/59/00/36/569590036.db2.gz FPQSBUHEOIJATM-MUUNZHRXSA-N 0 1 499.607 6.085 50 30 JKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008695135 569593509 /nfs/dbraw/zinc/59/35/09/569593509.db2.gz QZKWUKUVRQKCFL-NDEPHWFRSA-N 0 1 492.619 6.595 50 30 JKEAMN Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2c(F)cccc2Cl)cc1 ZINC000064775612 569627717 /nfs/dbraw/zinc/62/77/17/569627717.db2.gz KVMLKOJVATZXJF-JOCHJYFZSA-N 0 1 450.901 5.258 50 30 JKEAMN O=C1c2c(c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)C(=O)N1O ZINC000034481606 569640298 /nfs/dbraw/zinc/64/02/98/569640298.db2.gz CNRMRKSNOUGQLV-UHFFFAOYSA-N 0 1 467.524 7.340 50 30 JKEAMN O=C(Nc1ccccc1)c1cnn2c1NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000064874229 569641341 /nfs/dbraw/zinc/64/13/41/569641341.db2.gz UBWMVWKNDFBVND-NRFANRHFSA-N 0 1 453.329 5.464 50 30 JKEAMN Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2c(Cl)cccc2Cl)cc1 ZINC000064874069 569641416 /nfs/dbraw/zinc/64/14/16/569641416.db2.gz PAYBBEXIZQVPBX-QHCPKHFHSA-N 0 1 495.410 6.409 50 30 JKEAMN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000035361870 569682254 /nfs/dbraw/zinc/68/22/54/569682254.db2.gz OAALXLVVEQAVAA-XVKUKMIVSA-N 0 1 478.504 7.282 50 30 biogenic JKEAMN Cc1cc(C)c(/N=C2\[C@@H](N3CCCCC3)C3(CCCCC3)C(=S)N2c2ccc(F)cc2)c(C)c1 ZINC000071405904 569697205 /nfs/dbraw/zinc/69/72/05/569697205.db2.gz XEVCNSYMTAALKX-JNWXKXLUSA-N 0 1 477.693 7.434 50 30 JKEAMN C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c(O)cc(-c4ccccc4)oc-3c21 ZINC000096113971 569733132 /nfs/dbraw/zinc/73/31/32/569733132.db2.gz HBICLMRDXXVMCS-GOSISDBHSA-N 0 1 470.477 5.267 50 30 biogenic JKEAMN C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 ZINC000096113971 569733133 /nfs/dbraw/zinc/73/31/33/569733133.db2.gz HBICLMRDXXVMCS-GOSISDBHSA-N 0 1 470.477 5.267 50 30 biogenic JKEAMN C=C(C)COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 ZINC000096114136 569733288 /nfs/dbraw/zinc/73/32/88/569733288.db2.gz DXVOVMUYTIDXML-UHFFFAOYSA-N 0 1 499.567 6.552 50 30 biogenic JKEAMN C[C@H](Sc1nc(C=Cc2ccc(F)cc2)n[nH]1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000096942235 569744004 /nfs/dbraw/zinc/74/40/04/569744004.db2.gz REAZRIXKTXUYNK-UQTJOTSZSA-N 0 1 467.595 5.436 50 30 JKEAMN CCCCCCCOc1ccc(/C=N/N=C2/NC(=O)C(Cc3cccc(OC)c3)S2)cc1 ZINC000097959799 569747906 /nfs/dbraw/zinc/74/79/06/569747906.db2.gz WYDPTULJSRLQIQ-HXTHCWADSA-N 0 1 453.608 5.209 50 30 JKEAMN CCCCCCC[C@@](O)(c1ccc(OCCC(C)C)cc1)[C@H](CN1CCOCC1)c1ccccc1 ZINC000098048794 569750015 /nfs/dbraw/zinc/75/00/15/569750015.db2.gz HGMJBYWICKBNLM-FIRIVFDPSA-N 0 1 481.721 6.776 50 30 JKEAMN COc1ccc(C=CC(=O)C=CNNc2ccc(Cc3ccc(Cl)cc3Cl)nn2)cc1 ZINC000100329174 569757503 /nfs/dbraw/zinc/75/75/03/569757503.db2.gz QQBZDXLOQRGLTI-IMOCCOEESA-N 0 1 455.345 5.096 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1 ZINC000036301667 569759302 /nfs/dbraw/zinc/75/93/02/569759302.db2.gz NMFFORQYHJQDOF-QHCPKHFHSA-N 0 1 484.040 6.174 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000100439657 569761224 /nfs/dbraw/zinc/76/12/24/569761224.db2.gz WECMQEOCVFTQMT-NHFXJNLRSA-N 0 1 468.387 5.240 50 30 JKEAMN COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000100503001 569762903 /nfs/dbraw/zinc/76/29/03/569762903.db2.gz RAVOGYGOMHJECJ-BHGWPJFGSA-N 0 1 457.711 6.376 50 30 JKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F ZINC000036316477 569762978 /nfs/dbraw/zinc/76/29/78/569762978.db2.gz PMNRLCRMKBHIGR-JOCHJYFZSA-N 0 1 467.585 5.142 50 30 JKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036316515 569763288 /nfs/dbraw/zinc/76/32/88/569763288.db2.gz UOQNFICFYKFLHY-HSZRJFAPSA-N 0 1 467.585 5.142 50 30 JKEAMN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000100511265 569763401 /nfs/dbraw/zinc/76/34/01/569763401.db2.gz RUHNSCLHAWKZHE-KIBLKLHPSA-N 0 1 476.157 7.329 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C(C)C ZINC000036345813 569768228 /nfs/dbraw/zinc/76/82/28/569768228.db2.gz BVJKDPGECPFZEW-QHCPKHFHSA-N 0 1 467.585 5.140 50 30 JKEAMN C=CCC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1cccc(F)c1 ZINC000036346660 569770295 /nfs/dbraw/zinc/77/02/95/569770295.db2.gz QCDHXDRCFHDRGQ-QHCPKHFHSA-N 0 1 455.549 5.790 50 30 JKEAMN C=CCOC[C@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccccc1F ZINC000036346608 569770313 /nfs/dbraw/zinc/77/03/13/569770313.db2.gz NVYMHPSESMULPB-JOCHJYFZSA-N 0 1 471.548 5.027 50 30 JKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccc(F)cc2)c1Oc1ccc(F)cc1 ZINC000036346761 569770847 /nfs/dbraw/zinc/77/08/47/569770847.db2.gz RUVXYZUJEXMARR-QHCPKHFHSA-N 0 1 471.548 5.027 50 30 JKEAMN FC(F)(F)c1n[nH]c(=S)n1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000036611086 569777507 /nfs/dbraw/zinc/77/75/07/569777507.db2.gz OGOXMFJWYDJEEE-RREIPUBJSA-N 0 1 471.675 5.600 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000101069805 569781146 /nfs/dbraw/zinc/78/11/46/569781146.db2.gz KZBIZKZWGMAARX-NHFXJNLRSA-N 0 1 486.724 5.868 50 30 JKEAMN Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c([N+](=O)[O-])c1 ZINC000101128170 569783824 /nfs/dbraw/zinc/78/38/24/569783824.db2.gz JOWLWJGOBCBCAR-AGHKFTSRSA-N 0 1 460.515 5.068 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000101287264 569789302 /nfs/dbraw/zinc/78/93/02/569789302.db2.gz DZNLHDDNFSXSSJ-CZNAVJSXSA-N 0 1 485.584 5.083 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287211 569789326 /nfs/dbraw/zinc/78/93/26/569789326.db2.gz APBGUNIWWVINKH-CJJGVWJISA-N 0 1 499.611 5.257 50 30 JKEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000101294160 569789816 /nfs/dbraw/zinc/78/98/16/569789816.db2.gz PLMYKNHIFPIPSS-LODGOHBISA-N 0 1 495.575 5.239 50 30 JKEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1 ZINC000101294174 569790123 /nfs/dbraw/zinc/79/01/23/569790123.db2.gz SCHHLPYPDPCFTR-JLPDLQRYSA-N 0 1 481.548 5.197 50 30 JKEAMN C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000101294479 569790143 /nfs/dbraw/zinc/79/01/43/569790143.db2.gz XNYJHIDKSMVMRK-AYWGPLOBSA-N 0 1 486.549 5.643 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 ZINC000101502787 569800926 /nfs/dbraw/zinc/80/09/26/569800926.db2.gz KBAODNWCXLTRIT-HOGKFDNTSA-N 0 1 464.880 5.064 50 30 JKEAMN CCCCCCCCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)cc1 ZINC000101727552 569803482 /nfs/dbraw/zinc/80/34/82/569803482.db2.gz IEHBHNPOMYNZAJ-HXUWFJFHSA-N 0 1 473.581 5.060 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccc(C#N)cc1 ZINC000102680112 569815610 /nfs/dbraw/zinc/81/56/10/569815610.db2.gz YGZRZBSAELFSMW-RBTNQOKQSA-N 0 1 451.501 6.267 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccc(C#N)cc1 ZINC000102680109 569815666 /nfs/dbraw/zinc/81/56/66/569815666.db2.gz YGZRZBSAELFSMW-PIKZIKFNSA-N 0 1 451.501 6.267 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102856697 569824546 /nfs/dbraw/zinc/82/45/46/569824546.db2.gz COQMXGVIRIPUEO-JBCNATCCSA-N 0 1 494.931 5.724 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2F)o1 ZINC000102864058 569825435 /nfs/dbraw/zinc/82/54/35/569825435.db2.gz STRWNWTVLUBCAL-OBVHCKHUSA-N 0 1 462.502 5.580 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102874497 569826277 /nfs/dbraw/zinc/82/62/77/569826277.db2.gz CUVCVVCFKLUJOS-YDJIHCHBSA-N 0 1 480.929 5.568 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102875992 569826348 /nfs/dbraw/zinc/82/63/48/569826348.db2.gz CGLHVZYKRDVNFK-LFVOPCPISA-N 0 1 469.722 5.124 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)cc1OC ZINC000102876040 569826393 /nfs/dbraw/zinc/82/63/93/569826393.db2.gz BZEVNNFCKFMRSS-ROBPHKHBSA-N 0 1 499.563 5.039 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2F)cc1 ZINC000102875825 569826420 /nfs/dbraw/zinc/82/64/20/569826420.db2.gz AHRJZTIJUXRHIO-MRJHHRETSA-N 0 1 462.477 5.509 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)sc1C ZINC000102875936 569826431 /nfs/dbraw/zinc/82/64/31/569826431.db2.gz OEQNGQMLMXORDZ-SELCWUDQSA-N 0 1 459.354 5.693 50 30 JKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874866 569826475 /nfs/dbraw/zinc/82/64/75/569826475.db2.gz PNWFUJBNBQJTIS-ZLYDLHQSSA-N 0 1 498.579 5.206 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102928813 569827282 /nfs/dbraw/zinc/82/72/82/569827282.db2.gz WOQNSQNRKHKGOS-HOGKFDNTSA-N 0 1 492.503 5.600 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccc(F)cc2)o1 ZINC000102929103 569827634 /nfs/dbraw/zinc/82/76/34/569827634.db2.gz BJYAUVNKQBGQKY-PGVNHDJNSA-N 0 1 462.502 5.580 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000102931104 569828151 /nfs/dbraw/zinc/82/81/51/569828151.db2.gz KRKWJQDEYYLQRX-WOOAAIBNSA-N 0 1 466.971 5.946 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000102931323 569828347 /nfs/dbraw/zinc/82/83/47/569828347.db2.gz LTGQCZWZQGBYNV-LCPUNJGISA-N 0 1 486.377 5.379 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc([N+](=O)[O-])c2)o1 ZINC000102932091 569828587 /nfs/dbraw/zinc/82/85/87/569828587.db2.gz DILJTONDDXDICD-PGVNHDJNSA-N 0 1 489.509 5.349 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3F)sc2c1 ZINC000102932137 569828746 /nfs/dbraw/zinc/82/87/46/569828746.db2.gz ZMBBTEGIWOTXEM-JBCNATCCSA-N 0 1 478.501 5.362 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(CC)cc2)cc1C ZINC000103143766 569833398 /nfs/dbraw/zinc/83/33/98/569833398.db2.gz PROBMEATZMILPP-NPJIAGGLSA-N 0 1 465.590 5.195 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1C ZINC000103143742 569833402 /nfs/dbraw/zinc/83/34/02/569833402.db2.gz DSDFYUPLVGMRIJ-CJJGVWJISA-N 0 1 493.644 5.930 50 30 JKEAMN CCc1ccc(S(=O)(=O)N=C2CC(=Nc3cc(Cl)ccc3Cl)C(=O)c3ccccc32)cc1 ZINC000103321146 569834529 /nfs/dbraw/zinc/83/45/29/569834529.db2.gz SCZYGZWJAVXWIK-HFTWOUSFSA-N 0 1 485.392 5.926 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1c(C(=O)Nc3ccc(Cl)cc3)cnn1[C@H]2c1ccccc1Cl ZINC000044858976 569839477 /nfs/dbraw/zinc/83/94/77/569839477.db2.gz CWXCUARECNKLHB-QFIPXVFZSA-N 0 1 481.383 6.100 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000104105136 569841103 /nfs/dbraw/zinc/84/11/03/569841103.db2.gz LFYLSCXJLMIIKK-JBCNATCCSA-N 0 1 482.414 5.548 50 30 JKEAMN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000104126053 569841703 /nfs/dbraw/zinc/84/17/03/569841703.db2.gz DJGAHJPPCPWUMN-MOBKVPTQSA-N 0 1 476.872 5.077 50 30 JKEAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000104287388 569844707 /nfs/dbraw/zinc/84/47/07/569844707.db2.gz VMMPWJUZMHCHIE-UHFFFAOYSA-N 0 1 483.334 6.337 50 30 JKEAMN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@]2(O)C/N=C/c1cc(Cl)cc(Cl)c1O ZINC000118918862 569863507 /nfs/dbraw/zinc/86/35/07/569863507.db2.gz OAALXLVVEQAVAA-NLJIBFJMSA-N 0 1 478.504 7.282 50 30 biogenic JKEAMN CCCCCCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226865672 570039100 /nfs/dbraw/zinc/03/91/00/570039100.db2.gz RLCGFGLESMXZQU-ZGIBFIJWSA-N 0 1 498.623 6.477 50 30 JKEAMN C=C[C@](C)(O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H]1CCCO1 ZINC000230110722 570044829 /nfs/dbraw/zinc/04/48/29/570044829.db2.gz UYKMXNCWHIEUAF-YWEHKCAJSA-N 0 1 461.606 5.106 50 30 JKEAMN COc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OCc1ccccc1 ZINC000244659461 570054171 /nfs/dbraw/zinc/05/41/71/570054171.db2.gz HDDNIPBJUTTYMC-UHFFFAOYSA-N 0 1 489.619 5.996 50 30 JKEAMN O=C(CSc1nc2ccc(N=Cc3cc(Cl)cc(Cl)c3O)cc2s1)NC1CCCCC1 ZINC000252590838 570084064 /nfs/dbraw/zinc/08/40/64/570084064.db2.gz AVVHWZZTJCTDKR-UHFFFAOYSA-N 0 1 494.469 6.600 50 30 JKEAMN Cc1ccccc1NC(=O)c1cc2ccccc2c(C=NN=c2[nH]c3ccccc3s2)c1O ZINC000252601425 570085140 /nfs/dbraw/zinc/08/51/40/570085140.db2.gz FAKUPQWTCOSSNA-UHFFFAOYSA-N 0 1 452.539 6.162 50 30 JKEAMN O=C(C[C@H]1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F ZINC000252603933 570085330 /nfs/dbraw/zinc/08/53/30/570085330.db2.gz FUXWSEUPHKCISH-HXUWFJFHSA-N 0 1 469.488 5.870 50 30 JKEAMN Cc1ccc(N=C2S/C(=C/c3cc(Cl)cc(Cl)c3O)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000252605169 570085496 /nfs/dbraw/zinc/08/54/96/570085496.db2.gz GGXJTSSVDDDWAX-JXGGTYHWSA-N 0 1 497.447 7.741 50 30 JKEAMN CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Br)c4O)ccc3o2)cc1 ZINC000252608656 570085759 /nfs/dbraw/zinc/08/57/59/570085759.db2.gz HMEOZYPDMPFSTG-UHFFFAOYSA-N 0 1 483.793 7.664 50 30 JKEAMN COc1ccc(-c2nc3ccccc3o2)cc1N=Cc1cc(Cl)cc(Br)c1O ZINC000252626359 570088391 /nfs/dbraw/zinc/08/83/91/570088391.db2.gz RAVOGYGOMHJECJ-UHFFFAOYSA-N 0 1 457.711 6.376 50 30 JKEAMN CCOc1cc(Br)cc(C=Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O ZINC000252643547 570090636 /nfs/dbraw/zinc/09/06/36/570090636.db2.gz ZVRRVDUXORTIME-UHFFFAOYSA-N 0 1 467.319 6.126 50 30 JKEAMN CCCCCCCCCNC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)oc1=O ZINC000263585317 570171032 /nfs/dbraw/zinc/17/10/32/570171032.db2.gz HHBOXAHEULASAV-FQEVSTJZSA-N 0 1 489.609 5.068 50 30 biogenic JKEAMN COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000263586384 570171769 /nfs/dbraw/zinc/17/17/69/570171769.db2.gz TZBYNGNKMRMZJP-UUFJRPOVSA-N 0 1 498.667 5.275 50 30 biogenic JKEAMN CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000997756 194000184 /nfs/dbraw/zinc/00/01/84/194000184.db2.gz HTMLSKJOADXYEX-GDLZYMKVSA-N 0 1 466.581 6.429 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001182290 194063633 /nfs/dbraw/zinc/06/36/33/194063633.db2.gz XQBFHRZKMRMRTK-NGOKVRLYSA-N 0 1 467.525 5.905 50 30 JKEAMN O=C(Oc1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1)c1ccc(Cl)cc1 ZINC000003146095 194231926 /nfs/dbraw/zinc/23/19/26/194231926.db2.gz BUHDTLWXULWBSY-MUFRIFMGSA-N 0 1 484.964 7.292 50 30 JKEAMN CCCCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000003146881 194232271 /nfs/dbraw/zinc/23/22/71/194232271.db2.gz MQFXZAVMOOBRIQ-XMMPIXPASA-N 0 1 465.619 6.106 50 30 JKEAMN CCCCCCCCCOc1nc2ccccc2nc1C(C#N)S(=O)(=O)c1ccc(C)cc1 ZINC000003146882 194232309 /nfs/dbraw/zinc/23/23/09/194232309.db2.gz MQFXZAVMOOBRIQ-DEOSSOPVSA-N 0 1 465.619 6.106 50 30 JKEAMN Cc1c(Cl)c(C)c(/C=N/c2cccc(-c3nc4ccccc4s3)c2)c(O)c1Br ZINC000003114329 194227517 /nfs/dbraw/zinc/22/75/17/194227517.db2.gz YQTINDIOVJIGMM-OPEKNORGSA-N 0 1 471.807 7.452 50 30 JKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000003115602 194227830 /nfs/dbraw/zinc/22/78/30/194227830.db2.gz YYOANSIXROATKS-YCPBAFNGSA-N 0 1 496.575 7.674 50 30 JKEAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccs1 ZINC000004171939 194382450 /nfs/dbraw/zinc/38/24/50/194382450.db2.gz LAOJAVFARSXSCB-PPHZAIPVSA-N 0 1 466.562 6.556 50 30 JKEAMN N#Cc1c(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000004209473 194384513 /nfs/dbraw/zinc/38/45/13/194384513.db2.gz IIHOULTYWYZFHR-UHFFFAOYSA-N 0 1 491.576 5.925 50 30 aggregator JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000004635180 194392942 /nfs/dbraw/zinc/39/29/42/194392942.db2.gz SEBVUGLINKZHKD-MHZLTWQESA-N 0 1 499.010 6.766 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(F)c2)cc1 ZINC000009086515 194523069 /nfs/dbraw/zinc/52/30/69/194523069.db2.gz DZVOUJLBMPENSE-MMTVBGGISA-N 0 1 456.517 5.755 50 30 JKEAMN COc1cc(C(=O)C(=Cc2c[nH]c3ccccc23)c2nc3ccc(Cl)cc3[nH]2)cc(OC)c1OC ZINC000012619771 195056347 /nfs/dbraw/zinc/05/63/47/195056347.db2.gz ULDXRONCNYKFME-VXLYETTFSA-N 0 1 487.943 6.147 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000012652311 195076707 /nfs/dbraw/zinc/07/67/07/195076707.db2.gz NMCGRKVSDVXERR-HFJWLAOPSA-N 0 1 475.976 6.427 50 30 JKEAMN CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000012652298 195076795 /nfs/dbraw/zinc/07/67/95/195076795.db2.gz NMCGRKVSDVXERR-DWXRJYCRSA-N 0 1 475.976 6.427 50 30 JKEAMN CCc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)cc1 ZINC000021486731 195302897 /nfs/dbraw/zinc/30/28/97/195302897.db2.gz MCRPSUMBNYFEKH-MYYYXRDXSA-N 0 1 490.588 5.795 50 30 JKEAMN Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@@H](C(=O)C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102299919 130118883 /nfs/dbraw/zinc/11/88/83/130118883.db2.gz FTTKFDCSVAEVNL-UDTFROTESA-N 0 1 495.575 5.611 50 30 JKEAMN Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)[C@H](C(=O)C=Cc1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102299923 130118937 /nfs/dbraw/zinc/11/89/37/130118937.db2.gz FTTKFDCSVAEVNL-AYSFXNBISA-N 0 1 495.575 5.611 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Cl)c(Cl)c2)no1 ZINC000102368565 130121607 /nfs/dbraw/zinc/12/16/07/130121607.db2.gz KBBXLVCPZGZLMV-MRJHHRETSA-N 0 1 487.339 5.703 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2cccc(Br)c2)no1 ZINC000102368954 130123216 /nfs/dbraw/zinc/12/32/16/130123216.db2.gz NHKPSECZDOLUFN-MRJHHRETSA-N 0 1 497.345 5.159 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(OC(C)C)cc2)no1 ZINC000102374160 130124184 /nfs/dbraw/zinc/12/41/84/130124184.db2.gz ROQMRNFDMAPCIA-JBCNATCCSA-N 0 1 452.894 5.050 50 30 JKEAMN COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1O ZINC000102417232 130128749 /nfs/dbraw/zinc/12/87/49/130128749.db2.gz PQCFYKVQPJXUIG-DHRITJCHSA-N 0 1 461.430 5.067 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000102430567 130129879 /nfs/dbraw/zinc/12/98/79/130129879.db2.gz YHEUAYNCMSURMU-NHFXJNLRSA-N 0 1 475.551 5.327 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102491669 130145875 /nfs/dbraw/zinc/14/58/75/130145875.db2.gz CAKIAZIEMFVTQC-MWCANZRFSA-N 0 1 473.525 5.014 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102493720 130148225 /nfs/dbraw/zinc/14/82/25/130148225.db2.gz FSGHOVKPKGDCEA-YFVVEFNMSA-N 0 1 495.619 5.972 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)ccc2O1 ZINC000102493708 130148353 /nfs/dbraw/zinc/14/83/53/130148353.db2.gz FSGHOVKPKGDCEA-LODGOHBISA-N 0 1 495.619 5.972 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000102499102 130153203 /nfs/dbraw/zinc/15/32/03/130153203.db2.gz REOLICKNHBERAG-JBCNATCCSA-N 0 1 489.484 5.278 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccc(Cl)c2)cc1Cl ZINC000102506681 130160826 /nfs/dbraw/zinc/16/08/26/130160826.db2.gz UADPDGNCEKLQJF-LFVOPCPISA-N 0 1 489.380 5.702 50 30 JKEAMN Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000102509295 130163451 /nfs/dbraw/zinc/16/34/51/130163451.db2.gz GOWAMFQQNIDTJU-QOJBNDRUSA-N 0 1 475.482 5.041 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(Cl)cc4)[C@@H]3c3ccc(F)cc3)sc2c1 ZINC000102513530 130167257 /nfs/dbraw/zinc/16/72/57/130167257.db2.gz HRKIOVTWDILHCD-MRJHHRETSA-N 0 1 494.931 5.724 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000102518563 130171458 /nfs/dbraw/zinc/17/14/58/130171458.db2.gz QPWFRDYDGMFWPM-YDJIHCHBSA-N 0 1 464.474 5.053 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)cc1 ZINC000102520911 130173609 /nfs/dbraw/zinc/17/36/09/130173609.db2.gz VNJTVJCIURQNDI-CJJGVWJISA-N 0 1 480.520 5.184 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)cc1 ZINC000102520902 130173644 /nfs/dbraw/zinc/17/36/44/130173644.db2.gz VNJTVJCIURQNDI-CZNAVJSXSA-N 0 1 480.520 5.184 50 30 JKEAMN O=C(c1cccs1)C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccc(F)c1 ZINC000102525885 130178463 /nfs/dbraw/zinc/17/84/63/130178463.db2.gz RRCQHJXYQLCRFR-GHNGSUTGSA-N 0 1 454.479 5.262 50 30 JKEAMN Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)c(Cl)c2)sc1C ZINC000102531657 130184892 /nfs/dbraw/zinc/18/48/92/130184892.db2.gz NJJYBCPBNXWNFW-SELCWUDQSA-N 0 1 459.354 5.693 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1 ZINC000102542457 130198556 /nfs/dbraw/zinc/19/85/56/130198556.db2.gz NYKZBYNLOMGAAH-JBCNATCCSA-N 0 1 498.988 5.447 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102542943 130198916 /nfs/dbraw/zinc/19/89/16/130198916.db2.gz GYAOGXFEXIRJNW-ZHHPLPSFSA-N 0 1 480.948 5.832 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102561902 130209396 /nfs/dbraw/zinc/20/93/96/130209396.db2.gz VZJCYIUUBWVNQL-HOGKFDNTSA-N 0 1 450.491 5.080 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000102587721 130217831 /nfs/dbraw/zinc/21/78/31/130217831.db2.gz SATWKQMAYCMSLZ-YDJIHCHBSA-N 0 1 457.835 5.985 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@H]3c3ccc(Cl)c(Cl)c3)ccc2O1 ZINC000102591999 130218647 /nfs/dbraw/zinc/21/86/47/130218647.db2.gz UTHNNXRLJCRVLR-CUJAVGSNSA-N 0 1 487.364 5.400 50 30 JKEAMN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccco2)c1 ZINC000102647742 130230431 /nfs/dbraw/zinc/23/04/31/130230431.db2.gz HMYUUOGIGAUVKA-XCSSDTEYSA-N 0 1 487.552 5.404 50 30 JKEAMN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000102650385 130231486 /nfs/dbraw/zinc/23/14/86/130231486.db2.gz JTPZCYABQWLUPO-PLWHFILJSA-N 0 1 469.537 5.031 50 30 JKEAMN CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000102690055 130237752 /nfs/dbraw/zinc/23/77/52/130237752.db2.gz NWMKBFAUMJZZPP-ZHHPLPSFSA-N 0 1 488.565 5.867 50 30 JKEAMN COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)(C)C)cc2)nc1C ZINC000102691772 130238682 /nfs/dbraw/zinc/23/86/82/130238682.db2.gz ZVHXAPAIBGDCNP-WOOAAIBNSA-N 0 1 494.569 5.063 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)c(C)c1 ZINC000102707612 130254073 /nfs/dbraw/zinc/25/40/73/130254073.db2.gz OPYPNRBAVKOSDN-ZHHPLPSFSA-N 0 1 462.571 5.252 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(Cl)cc1 ZINC000102711324 130257717 /nfs/dbraw/zinc/25/77/17/130257717.db2.gz VNQUYLDPVBXELP-AYWGPLOBSA-N 0 1 471.981 5.141 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000102715741 130262087 /nfs/dbraw/zinc/26/20/87/130262087.db2.gz NPNPFXYJJZPTGN-SELCWUDQSA-N 0 1 473.710 5.025 50 30 JKEAMN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 ZINC000102716875 130263196 /nfs/dbraw/zinc/26/31/96/130263196.db2.gz LMZIAIBETJQMTB-CZNAVJSXSA-N 0 1 496.588 5.652 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102719110 130264980 /nfs/dbraw/zinc/26/49/80/130264980.db2.gz HXDSKTVRMMECHU-CJJGVWJISA-N 0 1 480.520 5.184 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102724724 130269440 /nfs/dbraw/zinc/26/94/40/130269440.db2.gz WLKVNBKHMKSSKO-JBCNATCCSA-N 0 1 452.894 5.052 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000102734014 130278208 /nfs/dbraw/zinc/27/82/08/130278208.db2.gz ZOGCXAFHKWPURE-MRJHHRETSA-N 0 1 452.894 5.052 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(Oc3ccccc3)c2)s1 ZINC000102799025 130307376 /nfs/dbraw/zinc/30/73/76/130307376.db2.gz SEIHMZDPRJYBQD-MOBKVPTQSA-N 0 1 487.512 5.404 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000102800174 130309495 /nfs/dbraw/zinc/30/94/95/130309495.db2.gz UGAQPHLDQMVISM-UYTDBDHRSA-N 0 1 475.751 5.185 50 30 JKEAMN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000102857620 130327222 /nfs/dbraw/zinc/32/72/22/130327222.db2.gz LGZXIBXIHUTULI-MOBKVPTQSA-N 0 1 490.512 5.079 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(F)c3)sc2c1 ZINC000102860971 130332055 /nfs/dbraw/zinc/33/20/55/130332055.db2.gz PEOJCBJDDWQPDV-LFVOPCPISA-N 0 1 450.516 5.432 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102862331 130334438 /nfs/dbraw/zinc/33/44/38/130334438.db2.gz AWLSWURGSZHBDC-MRJHHRETSA-N 0 1 476.941 5.585 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000102865683 130338165 /nfs/dbraw/zinc/33/81/65/130338165.db2.gz BTVAOMGLNUGRHS-SELCWUDQSA-N 0 1 475.353 5.475 50 30 JKEAMN O=C(c1ccco1)C1=C(O)C(=O)N(c2nnc(SCc3ccccc3)s2)[C@H]1c1ccccc1 ZINC000102865888 130338861 /nfs/dbraw/zinc/33/88/61/130338861.db2.gz DLWGMUGENFUQFV-WOOAAIBNSA-N 0 1 475.551 5.050 50 30 JKEAMN Cc1ccccc1COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccs2)cc1 ZINC000102872188 130343614 /nfs/dbraw/zinc/34/36/14/130343614.db2.gz FFRSHNWFBVRDMS-NPJIAGGLSA-N 0 1 485.561 5.850 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000102872275 130343746 /nfs/dbraw/zinc/34/37/46/130343746.db2.gz ZQZPORPNIJGBIW-NHFXJNLRSA-N 0 1 482.895 5.854 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1 ZINC000102875542 130347555 /nfs/dbraw/zinc/34/75/55/130347555.db2.gz BNKJNRVRIPATTD-IOUQRVAPSA-N 0 1 453.538 5.194 50 30 JKEAMN CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102875423 130347718 /nfs/dbraw/zinc/34/77/18/130347718.db2.gz MMFFFBPVZRFRQZ-HOGKFDNTSA-N 0 1 481.335 5.578 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000102876903 130349815 /nfs/dbraw/zinc/34/98/15/130349815.db2.gz NFZOUNWDGWQZPF-KXDYMIPJSA-N 0 1 483.564 5.073 50 30 JKEAMN COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000102878879 130353430 /nfs/dbraw/zinc/35/34/30/130353430.db2.gz KCWGEUAGOKPGEI-LFVOPCPISA-N 0 1 466.902 5.178 50 30 JKEAMN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1 ZINC000102881654 130358730 /nfs/dbraw/zinc/35/87/30/130358730.db2.gz LBKRDABKPPGKRB-ZHHPLPSFSA-N 0 1 464.493 5.317 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000102881923 130359273 /nfs/dbraw/zinc/35/92/73/130359273.db2.gz ZZGWXSUNZWHFTF-MRJHHRETSA-N 0 1 497.345 5.161 50 30 JKEAMN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102891527 130373442 /nfs/dbraw/zinc/37/34/42/130373442.db2.gz VNWUOLBHFDUFTF-ZHHPLPSFSA-N 0 1 496.346 5.387 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000102893606 130375497 /nfs/dbraw/zinc/37/54/97/130375497.db2.gz ADEYCQNKPYPMAD-TXTDGAROSA-N 0 1 498.623 5.120 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccncc2)c1 ZINC000102896384 130377929 /nfs/dbraw/zinc/37/79/29/130377929.db2.gz KICGFZQYNWRKTI-NGAXIMOQSA-N 0 1 498.579 5.206 50 30 JKEAMN CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009014872 518343430 /nfs/dbraw/zinc/34/34/30/518343430.db2.gz HJNQGBJJINYZNF-JOCHJYFZSA-N 0 1 476.872 5.234 50 30 JKEAMN CC(=NNc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000012343298 518463551 /nfs/dbraw/zinc/46/35/51/518463551.db2.gz NNVZYHMPKMBDAU-LQKURTRISA-N 0 1 488.345 6.317 50 30 JKEAMN CC(C)(C)C(=O)CC(N=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1)C(F)(F)F ZINC000009008291 518555029 /nfs/dbraw/zinc/55/50/29/518555029.db2.gz NNLPMBKCTRAWNI-RHANQZHGSA-N 0 1 493.327 6.395 50 30 JKEAMN C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CNCc2cccc(C(F)(F)F)c2)c1=O ZINC000015003762 518652946 /nfs/dbraw/zinc/65/29/46/518652946.db2.gz HOFCPAYQVFOBNI-UHFFFAOYSA-N 0 1 466.887 5.080 50 30 JKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccc(OC)cc2)c1Oc1ccccc1OC ZINC000036303377 518714205 /nfs/dbraw/zinc/71/42/05/518714205.db2.gz RGVIYGPFDOKARP-HSZRJFAPSA-N 0 1 493.648 5.783 50 30 JKEAMN C=CCC[C@H](O)CN(Cc1nc(=O)c2c(-c3cccc(OC)c3)csc2[nH]1)C1CCCCC1 ZINC000036207910 518725091 /nfs/dbraw/zinc/72/50/91/518725091.db2.gz TVCZYTYWUCGAFP-FQEVSTJZSA-N 0 1 467.635 5.122 50 30 JKEAMN C=CCOC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F ZINC000036304194 518983623 /nfs/dbraw/zinc/98/36/23/518983623.db2.gz JDIXPMQTLJUPSN-QFIPXVFZSA-N 0 1 471.548 5.027 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC1CC1 ZINC000036304924 518987109 /nfs/dbraw/zinc/98/71/09/518987109.db2.gz SRMYIVMZFYHISU-VWLOTQADSA-N 0 1 461.606 5.057 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036307958 518993766 /nfs/dbraw/zinc/99/37/66/518993766.db2.gz BUZZLWQBRZNIGR-XMMPIXPASA-N 0 1 493.623 5.703 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1)CC1CC1 ZINC000036302653 518993982 /nfs/dbraw/zinc/99/39/82/518993982.db2.gz AKYRSDNBKQRYKR-XMMPIXPASA-N 0 1 491.632 5.011 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(Cl)cc1)C(C)C ZINC000036303718 518994544 /nfs/dbraw/zinc/99/45/44/518994544.db2.gz CETYOGVNUMBSKR-HSZRJFAPSA-N 0 1 470.013 5.400 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016734894 519020759 /nfs/dbraw/zinc/02/07/59/519020759.db2.gz NUUVAZZAKHYVFF-MHZLTWQESA-N 0 1 498.579 5.184 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000009334208 519021040 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CCc1ccc2oc(-c3cc(/N=C\c4cc(C)cc(Br)c4O)ccc3O)nc2c1 ZINC000015134326 524061088 /nfs/dbraw/zinc/06/10/88/524061088.db2.gz IPQMHNGTXRNBEM-ROTLSHHCSA-N 0 1 451.320 6.290 50 30 JKEAMN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)c1 ZINC000009173054 524112623 /nfs/dbraw/zinc/11/26/23/524112623.db2.gz QBHRDVKFXMTVCG-OAQYLSRUSA-N 0 1 478.476 5.366 50 30 JKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2 ZINC000020663602 524114894 /nfs/dbraw/zinc/11/48/94/524114894.db2.gz GIJKNETWGHIMNQ-YYLUKMIBSA-N 0 1 486.362 5.012 50 30 JKEAMN C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2 ZINC000020649635 524115228 /nfs/dbraw/zinc/11/52/28/524115228.db2.gz FCGPQPWXSFEVRQ-JCRYTKJOSA-N 0 1 468.347 5.892 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccs3)cc2)c1 ZINC000009461878 524447507 /nfs/dbraw/zinc/44/75/07/524447507.db2.gz FCBFCUUEFUSKCG-VWLOTQADSA-N 0 1 485.561 6.007 50 30 JKEAMN 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CCc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000000626552 553714660 /nfs/dbraw/zinc/71/46/60/553714660.db2.gz NBRGFQXNTFSXQW-AREMUKBSSA-N 0 1 450.538 5.551 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)c(Cl)c2)s1 ZINC000000637516 553721534 /nfs/dbraw/zinc/72/15/34/553721534.db2.gz VSZLIJDOXUDDSR-QGZVFWFLSA-N 0 1 460.342 5.245 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000000647982 553729087 /nfs/dbraw/zinc/72/90/87/553729087.db2.gz YNSQPHWOCNCFRS-PIKZIKFNSA-N 0 1 456.973 6.569 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000654595 553735325 /nfs/dbraw/zinc/73/53/25/553735325.db2.gz NHGGMQREABJAAP-NGOKVRLYSA-N 0 1 467.525 5.905 50 30 JKEAMN CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000000672443 553746120 /nfs/dbraw/zinc/74/61/20/553746120.db2.gz KBOQJEPTDFCZTR-URAOTHONSA-N 0 1 482.580 6.014 50 30 JKEAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000000682673 553754649 /nfs/dbraw/zinc/75/46/49/553754649.db2.gz UHMQJZKDWLEYDG-QFIPXVFZSA-N 0 1 457.496 5.458 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000000702701 553761384 /nfs/dbraw/zinc/76/13/84/553761384.db2.gz WNXKQAZEMSSVQY-AHWVRZQESA-N 0 1 469.537 5.545 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000000702763 553761664 /nfs/dbraw/zinc/76/16/64/553761664.db2.gz CTQBMWJOSBJIJE-DEOSSOPVSA-N 0 1 459.542 5.754 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000000702738 553761751 /nfs/dbraw/zinc/76/17/51/553761751.db2.gz JEIBICMTVOLSBK-AREMUKBSSA-N 0 1 499.950 6.291 50 30 JKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000000718086 553770080 /nfs/dbraw/zinc/77/00/80/553770080.db2.gz DAUXWKPLXFVIIO-WTYVLRPYSA-N 0 1 486.974 6.790 50 30 JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000000718094 553770100 /nfs/dbraw/zinc/77/01/00/553770100.db2.gz NFZPJTXWBBCGAD-SSOJOUAXSA-N 0 1 482.527 6.687 50 30 JKEAMN CC(=O)Oc1cccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000000718104 553770184 /nfs/dbraw/zinc/77/01/84/553770184.db2.gz XLODKTCTUZNULE-ZTOMLWHTSA-N 0 1 466.537 5.532 50 30 JKEAMN CC(=O)Oc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000000718106 553770199 /nfs/dbraw/zinc/77/01/99/553770199.db2.gz XLODKTCTUZNULE-KPURRNSFSA-N 0 1 466.537 5.532 50 30 JKEAMN O=C(C1CC1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000000718087 553770229 /nfs/dbraw/zinc/77/02/29/553770229.db2.gz DAUXWKPLXFVIIO-MMTVBGGISA-N 0 1 486.974 6.790 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cccs1 ZINC000000718137 553770250 /nfs/dbraw/zinc/77/02/50/553770250.db2.gz IKQRYZMCLVNHLZ-WRONEBCDSA-N 0 1 484.665 7.356 50 30 JKEAMN CC(=O)Oc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000000718103 553770267 /nfs/dbraw/zinc/77/02/67/553770267.db2.gz XLODKTCTUZNULE-PZGXJGMVSA-N 0 1 466.537 5.532 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000000718269 553770399 /nfs/dbraw/zinc/77/03/99/553770399.db2.gz VRJUSSBQRCHZMI-SKCUWOTOSA-N 0 1 466.537 5.394 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000718212 553770477 /nfs/dbraw/zinc/77/04/77/553770477.db2.gz PNUSRDRSZUNQKB-WINIVTDRSA-N 0 1 486.593 5.845 50 30 JKEAMN CCc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)NC2=S)cc1 ZINC000000858040 553801105 /nfs/dbraw/zinc/80/11/05/553801105.db2.gz MCRPSUMBNYFEKH-MFKUBSTISA-N 0 1 490.588 5.795 50 30 biogenic JKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000000857642 553801139 /nfs/dbraw/zinc/80/11/39/553801139.db2.gz WNQIDTLMDJMSMG-PMERELPUSA-N 0 1 480.608 6.819 50 30 JKEAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000000867314 553807147 /nfs/dbraw/zinc/80/71/47/553807147.db2.gz DAOOKTDKSRSHHO-FYSMJZIKSA-N 0 1 482.458 5.751 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccs2)cc1 ZINC000000893631 553830396 /nfs/dbraw/zinc/83/03/96/553830396.db2.gz YLJBCKABLOJBIV-VOIUYBSRSA-N 0 1 498.526 6.220 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000000970063 553886965 /nfs/dbraw/zinc/88/69/65/553886965.db2.gz YIHAYLTWOMMOSQ-ZTOMLWHTSA-N 0 1 480.564 5.784 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@H]3c2cccc(F)c2)cc1 ZINC000000986547 553893396 /nfs/dbraw/zinc/89/33/96/553893396.db2.gz LRDZHUMZLFWVCR-LGGPFLRQSA-N 0 1 484.571 6.391 50 30 JKEAMN CCOC(=O)c1c(N=C2CC(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3)C2)sc2c1CCCC2 ZINC000001080037 553905252 /nfs/dbraw/zinc/90/52/52/553905252.db2.gz YEZSYUIPTOZLDR-UGKGYDQZSA-N 0 1 467.587 5.035 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2cccc(OC)c2)cc1 ZINC000001102626 553908398 /nfs/dbraw/zinc/90/83/98/553908398.db2.gz SOPSKBAREVMQFC-YKGWIAGDSA-N 0 1 496.607 6.260 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2cccc(OC)c2)cc1 ZINC000001102624 553908410 /nfs/dbraw/zinc/90/84/10/553908410.db2.gz SOPSKBAREVMQFC-SMSORMJASA-N 0 1 496.607 6.260 50 30 JKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000001117920 553910775 /nfs/dbraw/zinc/91/07/75/553910775.db2.gz RJUKOOWSLHKEOV-UKILVPOCSA-N 0 1 473.500 5.375 50 30 JKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000001117904 553910903 /nfs/dbraw/zinc/91/09/03/553910903.db2.gz RJUKOOWSLHKEOV-NOZRDPDXSA-N 0 1 473.500 5.375 50 30 JKEAMN Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2cccc(Cl)c2)s1 ZINC000001154067 553917985 /nfs/dbraw/zinc/91/79/85/553917985.db2.gz MXDWAPTXFLNFDU-LJQANCHMSA-N 0 1 469.950 5.070 50 30 JKEAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C=O)ccc1O ZINC000001165519 553920348 /nfs/dbraw/zinc/92/03/48/553920348.db2.gz MQGXRUKDKNWIJF-OLILMLBXSA-N 0 1 484.552 5.330 50 30 JKEAMN O=C1c2ccccc2C(=O)C1=C1c2ccccc2C(O)=C1C1c2ccccc2Oc2ccccc21 ZINC000001176244 553926335 /nfs/dbraw/zinc/92/63/35/553926335.db2.gz LPJCSVKAGSSMIL-MHZLTWQESA-N 0 1 454.481 6.270 50 30 JKEAMN CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000001178925 553927725 /nfs/dbraw/zinc/92/77/25/553927725.db2.gz RUWOUDIQLMMZAB-SMSORMJASA-N 0 1 468.572 6.772 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2cccc(F)c2)C1 ZINC000001191010 553931033 /nfs/dbraw/zinc/93/10/33/553931033.db2.gz FOLPHNZNHRSFSN-SANMLTNESA-N 0 1 471.601 6.839 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001208715 553932747 /nfs/dbraw/zinc/93/27/47/553932747.db2.gz MPDQERDRGWEJSP-FQEVSTJZSA-N 0 1 479.286 5.140 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001211197 553933013 /nfs/dbraw/zinc/93/30/13/553933013.db2.gz OQRNTKBEUVJTSU-WRONEBCDSA-N 0 1 497.551 5.914 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000001208949 553933077 /nfs/dbraw/zinc/93/30/77/553933077.db2.gz ZPWGXGJNLZELOL-QHCPKHFHSA-N 0 1 463.965 5.329 50 30 JKEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000001208959 553933104 /nfs/dbraw/zinc/93/31/04/553933104.db2.gz ZPWGXGJNLZELOL-HSZRJFAPSA-N 0 1 463.965 5.329 50 30 JKEAMN Cc1ccc2c(c1)N(C(=O)C(C)C)[C@@H](c1ccc(F)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000001409181 553966609 /nfs/dbraw/zinc/96/66/09/553966609.db2.gz MTMONHXDULPPHE-ZTOMLWHTSA-N 0 1 468.572 6.691 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000001409584 553966625 /nfs/dbraw/zinc/96/66/25/553966625.db2.gz OXZYGFKXDFQNSL-ONOMSOESSA-N 0 1 471.000 6.959 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)cc1 ZINC000001411023 553966870 /nfs/dbraw/zinc/96/68/70/553966870.db2.gz KDIVRJORMAKKRU-MHZLTWQESA-N 0 1 496.563 5.396 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 ZINC000001411057 553966944 /nfs/dbraw/zinc/96/69/44/553966944.db2.gz DPUUNZQEPYEOOV-DEOSSOPVSA-N 0 1 472.566 5.449 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413444 553967880 /nfs/dbraw/zinc/96/78/80/553967880.db2.gz DZTILAIATTUNLD-VWLOTQADSA-N 0 1 470.500 5.137 50 30 JKEAMN O=C(c1ccc(F)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 ZINC000001413447 553967976 /nfs/dbraw/zinc/96/79/76/553967976.db2.gz JPDRBVQYYHSTSR-XMMPIXPASA-N 0 1 474.919 5.781 50 30 JKEAMN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)c1 ZINC000001413466 553967988 /nfs/dbraw/zinc/96/79/88/553967988.db2.gz OWLVAHSWEXUQCE-VWLOTQADSA-N 0 1 486.955 5.651 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001414692 553968249 /nfs/dbraw/zinc/96/82/49/553968249.db2.gz HCDJRTYAMDQHCV-RUZDIDTESA-N 0 1 470.956 5.951 50 30 JKEAMN Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccc(F)c2)cc1 ZINC000001414698 553968289 /nfs/dbraw/zinc/96/82/89/553968289.db2.gz JJMXHFMBFKQULN-RUZDIDTESA-N 0 1 454.501 5.436 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1 ZINC000001413526 553968304 /nfs/dbraw/zinc/96/83/04/553968304.db2.gz QZDMCYYZAUYIQN-QHCPKHFHSA-N 0 1 458.539 5.059 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001413504 553968350 /nfs/dbraw/zinc/96/83/50/553968350.db2.gz XSUXYGHMEZAHEB-MHZLTWQESA-N 0 1 480.564 5.560 50 30 JKEAMN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414714 553968614 /nfs/dbraw/zinc/96/86/14/553968614.db2.gz DNIBGHGDFSGVOY-AREMUKBSSA-N 0 1 494.547 5.084 50 30 JKEAMN COc1ccccc1[C@H]1C(C(=O)c2ccc(F)cc2)C(=O)C(=O)N1CCc1c[nH]c2ccccc12 ZINC000001414737 553968632 /nfs/dbraw/zinc/96/86/32/553968632.db2.gz MJCJXZJRGKCAAP-VWLOTQADSA-N 0 1 470.500 5.137 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000001414770 553969010 /nfs/dbraw/zinc/96/90/10/553969010.db2.gz FGQACIWMRNMBGV-XMMPIXPASA-N 0 1 474.919 5.781 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000001414775 553969065 /nfs/dbraw/zinc/96/90/65/553969065.db2.gz FDIVCPUFVOLKIE-SANMLTNESA-N 0 1 484.983 6.205 50 30 JKEAMN O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccnc1 ZINC000001414784 553969138 /nfs/dbraw/zinc/96/91/38/553969138.db2.gz NWNCIRXJHVNBHR-HSZRJFAPSA-N 0 1 457.917 5.037 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccs1)c1ccc(F)cc1 ZINC000001451683 553974150 /nfs/dbraw/zinc/97/41/50/553974150.db2.gz RIDIZZIQARIANH-GOSISDBHSA-N 0 1 454.479 5.419 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000001451992 553974154 /nfs/dbraw/zinc/97/41/54/553974154.db2.gz QGCCUYRCBAQVSE-NRFANRHFSA-N 0 1 478.957 6.196 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000001467608 553976485 /nfs/dbraw/zinc/97/64/85/553976485.db2.gz WPIUQVLTTCYONZ-SANMLTNESA-N 0 1 470.569 5.691 50 30 JKEAMN C=CCc1ccccc1OCCn1cc(C=NNc2nc3ccccc3s2)c2ccccc21 ZINC000001840199 553994454 /nfs/dbraw/zinc/99/44/54/553994454.db2.gz OUCYXIGZPJLTHG-MTDXEUNCSA-N 0 1 452.583 6.505 50 30 JKEAMN CC(C)(C)c1ccc(OCCn2cc(C=NNc3nc4ccccc4s3)c3ccccc32)cc1 ZINC000001847493 553995399 /nfs/dbraw/zinc/99/53/99/553995399.db2.gz HBLVWMAKLRFOGS-RDRPBHBLSA-N 0 1 468.626 7.074 50 30 JKEAMN CCCCCCCCOc1ccc(/C=N/c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 ZINC000001881973 554000380 /nfs/dbraw/zinc/00/03/80/554000380.db2.gz RWSZBRRUKIKQOT-ZTKZIYFRSA-N 0 1 458.627 8.159 50 30 JKEAMN Oc1c(Cl)cc(Br)cc1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000001881422 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CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 ZINC000006212214 554520131 /nfs/dbraw/zinc/52/01/31/554520131.db2.gz VPOARTHDQRKUOB-HXUWFJFHSA-N 0 1 481.892 5.317 50 30 JKEAMN CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 ZINC000006212219 554520136 /nfs/dbraw/zinc/52/01/36/554520136.db2.gz YGJZGPVCIWWRGM-HXUWFJFHSA-N 0 1 481.892 5.317 50 30 JKEAMN CC(=O)C1C(Nc2ccc(Br)cc2)=C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(C)cc1 ZINC000006245684 554522039 /nfs/dbraw/zinc/52/20/39/554522039.db2.gz FKXFBPSKUVNQNN-HJOGWXRNSA-N 0 1 456.380 5.156 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000006445610 554539852 /nfs/dbraw/zinc/53/98/52/554539852.db2.gz PHWPZHFHTVPQBC-HXUWFJFHSA-N 0 1 452.825 5.170 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000006460771 554542494 /nfs/dbraw/zinc/54/24/94/554542494.db2.gz GHGFJPOBRQCEPG-FOKLQQMPSA-N 0 1 471.152 6.211 50 30 JKEAMN CCOc1ccc2cc(C=NNc3nc4ccccc4nc3-c3ccccc3)c(Cl)nc2c1 ZINC000006631278 554556672 /nfs/dbraw/zinc/55/66/72/554556672.db2.gz VYJLOYXIRLLGSE-LQKURTRISA-N 0 1 453.933 6.343 50 30 JKEAMN CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)([O-])OCC[N+](C)(C)C ZINC000008214423 554564155 /nfs/dbraw/zinc/56/41/55/554564155.db2.gz ASWBNKHCZGQVJV-HSZRJFAPSA-O 0 1 496.646 5.212 50 30 endogenous,in-man JKEAMN CCCCCCCCn1c2ccccc2nc1/N=C/c1cc(Cl)cc(Br)c1O ZINC000008387092 554570074 /nfs/dbraw/zinc/57/00/74/554570074.db2.gz UKRFSTWDTMIBHL-MFKUBSTISA-N 0 1 462.819 7.269 50 30 JKEAMN O=C(Nc1sc2c(c1C=NN=c1nc[nH]c3sc4c(c31)CCC4)CCCC2)c1ccccc1 ZINC000008400317 554575525 /nfs/dbraw/zinc/57/55/25/554575525.db2.gz KGLAIGYJXJKRKD-XODNFHPESA-N 0 1 473.627 5.819 50 30 JKEAMN O=C(Nc1sc2c(c1C=NNc1ncnc3sc4c(c31)CCC4)CCCC2)c1ccccc1 ZINC000008400317 554575527 /nfs/dbraw/zinc/57/55/27/554575527.db2.gz KGLAIGYJXJKRKD-XODNFHPESA-N 0 1 473.627 5.819 50 30 JKEAMN O=C(C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 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CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccc(O)c2)cc1 ZINC000008775592 554673957 /nfs/dbraw/zinc/67/39/57/554673957.db2.gz BYBZLOZHSPPSIE-SANMLTNESA-N 0 1 482.536 5.093 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccs2)nc1C ZINC000008779269 554676287 /nfs/dbraw/zinc/67/62/87/554676287.db2.gz BCQYEAOLEDGQDS-MRXNPFEDSA-N 0 1 488.974 5.126 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(Cl)cc2)nc1C ZINC000008779304 554676614 /nfs/dbraw/zinc/67/66/14/554676614.db2.gz QUJAVJOFKOUTGH-INIZCTEOSA-N 0 1 488.974 5.126 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2cccc(F)c2)o1 ZINC000008816717 554698794 /nfs/dbraw/zinc/69/87/94/554698794.db2.gz HXSWAPLRMQWVKB-NRFANRHFSA-N 0 1 462.502 5.737 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008817515 554700355 /nfs/dbraw/zinc/70/03/55/554700355.db2.gz BCBJAUNQTNSUMP-LJQANCHMSA-N 0 1 489.380 5.858 50 30 JKEAMN 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Cc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 ZINC000008838028 554739360 /nfs/dbraw/zinc/73/93/60/554739360.db2.gz MVQJLOVQZAPWMO-OAQYLSRUSA-N 0 1 478.932 6.180 50 30 JKEAMN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)s2)cc1 ZINC000008845948 554744177 /nfs/dbraw/zinc/74/41/77/554744177.db2.gz HCRPIHCJLKLJCH-JVWAILMASA-N 0 1 459.550 5.714 50 30 JKEAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000008846337 554744706 /nfs/dbraw/zinc/74/47/06/554744706.db2.gz YIHAYLTWOMMOSQ-PZGXJGMVSA-N 0 1 480.564 5.784 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000008846348 554744894 /nfs/dbraw/zinc/74/48/94/554744894.db2.gz HJVDHUXLZCNWGS-BNHRFMORSA-N 0 1 496.626 7.615 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1 ZINC000008846654 554745547 /nfs/dbraw/zinc/74/55/47/554745547.db2.gz CJNDZWYVXKAJGG-DNOBIOAJSA-N 0 1 460.599 6.822 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008860016 554756502 /nfs/dbraw/zinc/75/65/02/554756502.db2.gz VUBJZWGPMKXCRA-QHCPKHFHSA-N 0 1 462.933 5.302 50 30 JKEAMN Clc1cccc(-c2ccc(C=NN=c3nc(Nc4ccccc4)[nH]c(N4CCCCC4)n3)o2)c1 ZINC000008872314 554768572 /nfs/dbraw/zinc/76/85/72/554768572.db2.gz JEGVBPQWTYJFEH-WPWMEQJKSA-N 0 1 473.968 5.965 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cc(C)on2)c1 ZINC000008893779 554782639 /nfs/dbraw/zinc/78/26/39/554782639.db2.gz TWEYJRGDTKSFIG-NRFANRHFSA-N 0 1 452.894 5.208 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)c1 ZINC000008894333 554783370 /nfs/dbraw/zinc/78/33/70/554783370.db2.gz QKQNHLQTBLJEOR-QHCPKHFHSA-N 0 1 488.565 6.023 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000008894593 554783938 /nfs/dbraw/zinc/78/39/38/554783938.db2.gz QGTXBAGDCMOHLM-FQEVSTJZSA-N 0 1 491.550 5.611 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(Br)cc2)no1 ZINC000008894810 554784316 /nfs/dbraw/zinc/78/43/16/554784316.db2.gz TYDQMNOZCYDQGH-OAQYLSRUSA-N 0 1 497.345 5.316 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000008896077 554785642 /nfs/dbraw/zinc/78/56/42/554785642.db2.gz HXLMGNIXMTUWFS-OAQYLSRUSA-N 0 1 497.345 5.317 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(C(C)C)cc2)nc1C ZINC000008903760 554798067 /nfs/dbraw/zinc/79/80/67/554798067.db2.gz ZLRZKDZEJTWFPF-LJQANCHMSA-N 0 1 480.542 5.128 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C(C)C)cc2)cc1Cl ZINC000008905496 554800018 /nfs/dbraw/zinc/80/00/18/554800018.db2.gz ILRLFVPBUFNHGU-QHCPKHFHSA-N 0 1 470.997 5.002 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)nc1C ZINC000008913913 554806777 /nfs/dbraw/zinc/80/67/77/554806777.db2.gz DPCCZZIBDKTNBV-LJQANCHMSA-N 0 1 496.972 5.373 50 30 JKEAMN CCOC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)nc1C ZINC000008913914 554807086 /nfs/dbraw/zinc/80/70/86/554807086.db2.gz DPCCZZIBDKTNBV-IBGZPJMESA-N 0 1 496.972 5.373 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Cl)c2)cc1 ZINC000008914487 554807655 /nfs/dbraw/zinc/80/76/55/554807655.db2.gz OJGMQBTZUIUSBV-QHCPKHFHSA-N 0 1 462.933 5.301 50 30 JKEAMN COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(C(=O)c4ccccc4)ccc3N2C(C)=O)cc1OC ZINC000008916610 554811001 /nfs/dbraw/zinc/81/10/01/554811001.db2.gz LQLYQZOLCGRQDM-GDLZYMKVSA-N 0 1 496.563 5.462 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(Cl)cc2)o1 ZINC000008919855 554816625 /nfs/dbraw/zinc/81/66/25/554816625.db2.gz BWGOQNGZBLOTTI-IBGZPJMESA-N 0 1 468.893 5.773 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000008921192 554817905 /nfs/dbraw/zinc/81/79/05/554817905.db2.gz IFFUCWBAXBLFJQ-QFIPXVFZSA-N 0 1 490.968 6.131 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2ccc(F)cc2)C1 ZINC000008927775 554825503 /nfs/dbraw/zinc/82/55/03/554825503.db2.gz IWPSVCSRWCCYPW-SANMLTNESA-N 0 1 471.601 6.839 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008934704 554829405 /nfs/dbraw/zinc/82/94/05/554829405.db2.gz OTEBIGSETVLMLG-AREMUKBSSA-N 0 1 499.611 5.414 50 30 JKEAMN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(OC)cc3s2)cc1 ZINC000008973480 554844468 /nfs/dbraw/zinc/84/44/68/554844468.db2.gz QPLLKTLGDSFRFS-OAQYLSRUSA-N 0 1 476.510 5.080 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3cccc(Cl)c3)sc2c1 ZINC000008973643 554844979 /nfs/dbraw/zinc/84/49/79/554844979.db2.gz BJDLFNXCNIAJRV-NRFANRHFSA-N 0 1 478.932 6.180 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000008980771 554846802 /nfs/dbraw/zinc/84/68/02/554846802.db2.gz FMNXEDKLHRUIFA-OAQYLSRUSA-N 0 1 462.477 5.666 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000008987437 554849974 /nfs/dbraw/zinc/84/99/74/554849974.db2.gz VMUUXUPOOLFMDP-FQEVSTJZSA-N 0 1 479.286 5.140 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(Cl)c3)sc2c1 ZINC000008996444 554857035 /nfs/dbraw/zinc/85/70/35/554857035.db2.gz VTHVBDQQIGTYOL-HXUWFJFHSA-N 0 1 480.998 6.357 50 30 JKEAMN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(CC)cc3s2)cc1 ZINC000008996846 554858011 /nfs/dbraw/zinc/85/80/11/554858011.db2.gz QGJZWXXPAHBVIR-QFIPXVFZSA-N 0 1 474.538 5.633 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3cccc(OC)c3)sc2c1 ZINC000009270324 555044496 /nfs/dbraw/zinc/04/44/96/555044496.db2.gz GNYXBVDHCDDDMU-OAQYLSRUSA-N 0 1 492.578 5.548 50 30 JKEAMN CC[C@@H](Sc1nc(Cc2ccc(O)cc2)c(C)[nH]1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000009290267 555064578 /nfs/dbraw/zinc/06/45/78/555064578.db2.gz SYUNDQQABZRAEO-HXUWFJFHSA-N 0 1 466.632 5.336 50 30 JKEAMN CC[C@H](Sc1nc(Cc2ccc(O)cc2)c(C)[nH]1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000009290263 555064655 /nfs/dbraw/zinc/06/46/55/555064655.db2.gz SYUNDQQABZRAEO-FQEVSTJZSA-N 0 1 466.632 5.336 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccs2)cc1C ZINC000009380169 555142113 /nfs/dbraw/zinc/14/21/13/555142113.db2.gz YLMZZMNTQGAHOH-QHCPKHFHSA-N 0 1 462.571 5.409 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccs2)cc1C ZINC000009380168 555142153 /nfs/dbraw/zinc/14/21/53/555142153.db2.gz YLMZZMNTQGAHOH-HSZRJFAPSA-N 0 1 462.571 5.409 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009461705 555229749 /nfs/dbraw/zinc/22/97/49/555229749.db2.gz HTMBXUWNZSDXSR-VWLOTQADSA-N 0 1 472.541 5.046 50 30 JKEAMN CCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccccc2)C1=O ZINC000009462900 555232270 /nfs/dbraw/zinc/23/22/70/555232270.db2.gz BHNCBZLKKXVMDK-YGAJUMRDSA-N 0 1 460.397 5.092 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009463091 555232676 /nfs/dbraw/zinc/23/26/76/555232676.db2.gz VGOWEVQJMDIRDA-NSYGIPOTSA-N 0 1 473.956 5.484 50 30 JKEAMN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCc4ccccc4)[C@@H]3c3cccc(Cl)c3)ccc2O1 ZINC000009463088 555232732 /nfs/dbraw/zinc/23/27/32/555232732.db2.gz VGOWEVQJMDIRDA-SSOJOUAXSA-N 0 1 473.956 5.484 50 30 JKEAMN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009464075 555235416 /nfs/dbraw/zinc/23/54/16/555235416.db2.gz LGVDWYJKMGTJRI-MHZLTWQESA-N 0 1 483.564 5.402 50 30 JKEAMN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCc2ccccc2)cc1 ZINC000009464073 555235431 /nfs/dbraw/zinc/23/54/31/555235431.db2.gz LGVDWYJKMGTJRI-HHHXNRCGSA-N 0 1 483.564 5.402 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000009512481 555302438 /nfs/dbraw/zinc/30/24/38/555302438.db2.gz WEAYMMFRDWTZJH-QFIPXVFZSA-N 0 1 484.335 5.930 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000009659793 555363430 /nfs/dbraw/zinc/36/34/30/555363430.db2.gz ASKJNGDXQWJDMC-FWUCURJTSA-N 0 1 499.054 7.821 50 30 JKEAMN N#Cc1c(=O)[nH]c(-c2ccc(Nc3ccnc4cc(Cl)ccc43)cc2)cc1-c1ccc(Cl)cc1 ZINC000013219389 555369936 /nfs/dbraw/zinc/36/99/36/555369936.db2.gz CNYZIPKMSKYKGA-UHFFFAOYSA-N 0 1 483.358 7.179 50 30 JKEAMN COc1cc(C=NN=c2[nH]c3ccccc3s2)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000009763163 555488346 /nfs/dbraw/zinc/48/83/46/555488346.db2.gz TVFQFBGONXWKKI-WGOQTCKBSA-N 0 1 463.559 5.526 50 30 JKEAMN COc1cc(C=[NH+][N-]c2nc3ccccc3s2)cc(OC)c1OCCOc1ccc(C)cc1 ZINC000009763163 555488350 /nfs/dbraw/zinc/48/83/50/555488350.db2.gz TVFQFBGONXWKKI-WGOQTCKBSA-N 0 1 463.559 5.526 50 30 JKEAMN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000013548737 555490474 /nfs/dbraw/zinc/49/04/74/555490474.db2.gz OLONXPOHKUYEKD-JOCHJYFZSA-N 0 1 493.357 5.414 50 30 JKEAMN CCN(CC)CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(F)c2)C2=C1CC(C)(C)CC2=O ZINC000009775622 555492779 /nfs/dbraw/zinc/49/27/79/555492779.db2.gz LILLUUXHKSNTFU-UHFFFAOYSA-N 0 1 466.641 5.853 50 30 JKEAMN COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000013553072 555493259 /nfs/dbraw/zinc/49/32/59/555493259.db2.gz XFRSZQFSPLVBPC-MHZLTWQESA-N 0 1 492.531 5.661 50 30 JKEAMN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc([N+](=O)[O-])c1O ZINC000019848470 555509777 /nfs/dbraw/zinc/50/97/77/555509777.db2.gz ALVDXQKOAUSYES-DLUDVSRJSA-N 0 1 491.931 5.942 50 30 JKEAMN CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccc(F)cc3)sc2c1 ZINC000013571534 555510012 /nfs/dbraw/zinc/51/00/12/555510012.db2.gz CRWFXKSVVPESAR-OAQYLSRUSA-N 0 1 462.502 5.682 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1 ZINC000019898808 555534453 /nfs/dbraw/zinc/53/44/53/555534453.db2.gz FYGUCFLMSLLQTR-SANMLTNESA-N 0 1 462.505 5.652 50 30 JKEAMN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C/c1cc3cc(Br)ccc3o1)O2 ZINC000013654754 555554656 /nfs/dbraw/zinc/55/46/56/555554656.db2.gz CTESZPLXFKTHCM-ZSDIVRTKSA-N 0 1 496.401 6.303 50 30 JKEAMN C[C@H]1CCC[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cc4cc(Br)ccc4o2)O3)C1 ZINC000013681775 555574900 /nfs/dbraw/zinc/57/49/00/555574900.db2.gz QFVXMVUGSDWAHF-YTWQSXOVSA-N 0 1 468.347 5.749 50 30 JKEAMN Oc1c(Cl)cc(Cl)cc1CN=Nc1ccc2nnc(-c3ccc(Br)cc3)n2n1 ZINC000020038031 555612161 /nfs/dbraw/zinc/61/21/61/555612161.db2.gz OAMPIDJQKDTICU-LSFURLLWSA-N 0 1 478.137 5.012 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020083539 555631159 /nfs/dbraw/zinc/63/11/59/555631159.db2.gz BDPFJSFNFKDKRD-NDEPHWFRSA-N 0 1 498.623 5.276 50 30 JKEAMN CCOc1ccc(C=CC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OC ZINC000020114423 555652204 /nfs/dbraw/zinc/65/22/04/555652204.db2.gz IYEDIIGRJPXJMN-YRNVUSSQSA-N 0 1 460.578 5.004 50 30 JKEAMN CN(C)c1ccc([C@H]2c3c(n[nH]c3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020134896 555659328 /nfs/dbraw/zinc/65/93/28/555659328.db2.gz CYUYPSQMSFPWAG-OAQYLSRUSA-N 0 1 457.534 5.252 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCN(C)C)cc1 ZINC000020232287 555722344 /nfs/dbraw/zinc/72/23/44/555722344.db2.gz OLPBTMQKJSWILP-NDEPHWFRSA-N 0 1 498.623 5.276 50 30 JKEAMN COc1ccc(/C=N/N=C2/SC(Cc3ccc(Cl)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000012284786 555949034 /nfs/dbraw/zinc/94/90/34/555949034.db2.gz JOQUXSFPQOCTSG-HWRYFGFYSA-N 0 1 463.990 5.425 50 30 JKEAMN CC(=[NH+][N-]c1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1)c1cccc(N)c1 ZINC000012343297 555955585 /nfs/dbraw/zinc/95/55/85/555955585.db2.gz GLPDOPLKXDWQKR-MUFRIFMGSA-N 0 1 458.363 5.991 50 30 JKEAMN Oc1c(Br)cc(Br)cc1C=Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000012376865 555964671 /nfs/dbraw/zinc/96/46/71/555964671.db2.gz RCVFWNKHNGNREM-FOKLQQMPSA-N 0 1 471.152 6.211 50 30 JKEAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)ccc1N=NC1CCCCC1 ZINC000012565018 556061568 /nfs/dbraw/zinc/06/15/68/556061568.db2.gz DEKBAVUPDYTEIP-UHFFFAOYSA-N 0 1 470.523 5.442 50 30 JKEAMN Cc1ccc(-c2ccc(CCC(=O)N3CCN(CC(C)C)CC3)n2-c2ccc(CC#N)cc2)c(C)c1 ZINC000023444426 556061711 /nfs/dbraw/zinc/06/17/11/556061711.db2.gz CXYVBKOUHNTAHN-UHFFFAOYSA-N 0 1 482.672 5.560 50 30 JKEAMN C=CCN(Cc1cccs1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC000024639020 556143223 /nfs/dbraw/zinc/14/32/23/556143223.db2.gz IPVMFUCIGPGWBR-UHFFFAOYSA-N 0 1 464.971 5.170 50 30 JKEAMN CCc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCCOC)cc1 ZINC000016713766 556154517 /nfs/dbraw/zinc/15/45/17/556154517.db2.gz YMESDUXDIRQSLR-RUZDIDTESA-N 0 1 465.590 5.207 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C)cc2)c(C)c1 ZINC000016713720 556154617 /nfs/dbraw/zinc/15/46/17/556154617.db2.gz BYGOFXACDNNQDP-SANMLTNESA-N 0 1 470.569 5.656 50 30 JKEAMN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C)cc2)c(C)c1 ZINC000016713718 556154637 /nfs/dbraw/zinc/15/46/37/556154637.db2.gz BYGOFXACDNNQDP-AREMUKBSSA-N 0 1 470.569 5.656 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1F ZINC000016713712 556154674 /nfs/dbraw/zinc/15/46/74/556154674.db2.gz CDSQNKHXRGWTLN-VWLOTQADSA-N 0 1 474.532 5.342 50 30 JKEAMN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 ZINC000016713706 556154700 /nfs/dbraw/zinc/15/47/00/556154700.db2.gz TZEGZZIRECGMCZ-HSZRJFAPSA-N 0 1 462.571 5.265 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000016734482 556155845 /nfs/dbraw/zinc/15/58/45/556155845.db2.gz MDOIYZSDGQFVEP-HHHXNRCGSA-N 0 1 499.563 5.659 50 30 JKEAMN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(Cc4cccnc4)[C@H]3c3cccc4ccccc43)ccc2O1 ZINC000016750470 556156794 /nfs/dbraw/zinc/15/67/94/556156794.db2.gz APRXQKDSQFNQJP-CLYVBNDRSA-N 0 1 476.532 5.337 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000016805726 556161586 /nfs/dbraw/zinc/16/15/86/556161586.db2.gz ZOUVHLSDYZKZAN-SANMLTNESA-N 0 1 484.552 5.214 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000016805658 556161599 /nfs/dbraw/zinc/16/15/99/556161599.db2.gz PYLIBIIJHLWROT-QFIPXVFZSA-N 0 1 471.981 5.261 50 30 JKEAMN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC(C)C)[C@H]2c2ccc(CC)cc2)cc1Cl ZINC000016805664 556161731 /nfs/dbraw/zinc/16/17/31/556161731.db2.gz OAUBBYYTFURIBT-DEOSSOPVSA-N 0 1 486.008 5.695 50 30 JKEAMN COc1cc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCc2ccccc2)ccc1OCCC(C)C ZINC000016805805 556162004 /nfs/dbraw/zinc/16/20/04/556162004.db2.gz RNURFNQYJDZFKV-MUUNZHRXSA-N 0 1 499.607 5.941 50 30 JKEAMN CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(Br)c1 ZINC000016945915 556183164 /nfs/dbraw/zinc/18/31/64/556183164.db2.gz UHHHOWWWEQCALS-RUZDIDTESA-N 0 1 481.434 6.782 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000016946372 556183300 /nfs/dbraw/zinc/18/33/00/556183300.db2.gz VHFZKOOQMVOTSL-VKGTZQKMSA-N 0 1 485.515 6.045 50 30 JKEAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000016971611 556192248 /nfs/dbraw/zinc/19/22/48/556192248.db2.gz CUGZKDNLUVUMLK-XRHLQHRESA-N 0 1 460.936 6.400 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3ccccc3N2C(=O)COc2ccccc2)cc1 ZINC000016973609 556192802 /nfs/dbraw/zinc/19/28/02/556192802.db2.gz RJAPEJAXVQGLQK-XBBWARJSSA-N 0 1 468.553 5.527 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OC(C)C)cc1 ZINC000016977630 556194828 /nfs/dbraw/zinc/19/48/28/556194828.db2.gz RNNSWZCATGZTBS-LJAQVGFWSA-N 0 1 474.645 7.197 50 30 JKEAMN CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)cc1 ZINC000017028294 556207295 /nfs/dbraw/zinc/20/72/95/556207295.db2.gz MYNXSGUKFHALKI-URAOTHONSA-N 0 1 482.580 6.014 50 30 JKEAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)c1 ZINC000017042810 556209416 /nfs/dbraw/zinc/20/94/16/556209416.db2.gz OGGULRBMDLMXKJ-LJAQVGFWSA-N 0 1 466.581 6.081 50 30 JKEAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000017043808 556210099 /nfs/dbraw/zinc/21/00/99/556210099.db2.gz VYMHFDOAMASPMG-JOCHJYFZSA-N 0 1 474.479 5.409 50 30 JKEAMN CN(C)c1ccc([C@@H]2NC[C@@H](CSc3nc(-c4ccccc4)cc(C(F)(F)F)c3C#N)O2)cc1 ZINC000025583802 556226438 /nfs/dbraw/zinc/22/64/38/556226438.db2.gz CFOQMSXQRLVCHV-WMZHIEFXSA-N 0 1 484.547 5.484 50 30 JKEAMN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(c4nccs4)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000017209105 556241434 /nfs/dbraw/zinc/24/14/34/556241434.db2.gz LLVBXPJEPKZCAL-XMMPIXPASA-N 0 1 498.560 5.519 50 30 JKEAMN N#CC(c1nc2ccccc2nc1NC1CCCCCCC1)S(=O)(=O)c1ccc(F)cc1 ZINC000013040817 556244732 /nfs/dbraw/zinc/24/47/32/556244732.db2.gz VWUSMLHFZBCSEI-QFIPXVFZSA-N 0 1 452.555 5.332 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1F ZINC000026459029 556254449 /nfs/dbraw/zinc/25/44/49/556254449.db2.gz YGVBTGSHOICVJM-HXUWFJFHSA-N 0 1 476.287 5.513 50 30 JKEAMN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1cccc(F)c1)c1ccc(Br)cc1 ZINC000017862598 556269404 /nfs/dbraw/zinc/26/94/04/556269404.db2.gz AXDYVRHGFWENCJ-OAQYLSRUSA-N 0 1 466.306 5.367 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000027017866 556269600 /nfs/dbraw/zinc/26/96/00/556269600.db2.gz SFJRGTDSMURRPL-JOCHJYFZSA-N 0 1 483.351 5.566 50 30 JKEAMN Cc1cc(C)nc(NC(=NC(=O)Nc2cccc(Cl)c2)NCCc2c[nH]c3ccc(Cl)cc23)n1 ZINC000018096727 556286985 /nfs/dbraw/zinc/28/69/85/556286985.db2.gz FHAXCFWSUDVFPR-UHFFFAOYSA-N 0 1 496.402 5.714 50 30 JKEAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000018107597 556288567 /nfs/dbraw/zinc/28/85/67/556288567.db2.gz VHRDKJPTQVRUAT-MHZLTWQESA-N 0 1 452.554 6.152 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000018116212 556289649 /nfs/dbraw/zinc/28/96/49/556289649.db2.gz JPMTYYYQQDFFJS-SANMLTNESA-N 0 1 490.525 7.162 50 30 JKEAMN CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000018137777 556292904 /nfs/dbraw/zinc/29/29/04/556292904.db2.gz ZVXNSLLIGIHBLO-QHCPKHFHSA-N 0 1 456.508 6.504 50 30 JKEAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000018145847 556294030 /nfs/dbraw/zinc/29/40/30/556294030.db2.gz XMCUISIXYCDHFZ-PBBNMVCDSA-N 0 1 494.978 7.147 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCCCC)cc1 ZINC000018180755 556299443 /nfs/dbraw/zinc/29/94/43/556299443.db2.gz MWWQBXFVUKMVLI-PMERELPUSA-N 0 1 488.672 7.589 50 30 JKEAMN CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000018181636 556299790 /nfs/dbraw/zinc/29/97/90/556299790.db2.gz FGPXRJTZMFGGFV-PMERELPUSA-N 0 1 480.608 6.819 50 30 JKEAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2c(Cl)cccc2Cl)cc1OC ZINC000018197993 556304679 /nfs/dbraw/zinc/30/46/79/556304679.db2.gz QRDFSQJWBXVQMM-WHEQGISXSA-N 0 1 471.344 5.018 50 30 JKEAMN Cc1ccccc1OCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000027988909 556311480 /nfs/dbraw/zinc/31/14/80/556311480.db2.gz UBBMZRNBMJFAMR-XMMPIXPASA-N 0 1 496.390 6.349 50 30 JKEAMN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000018250718 556316203 /nfs/dbraw/zinc/31/62/03/556316203.db2.gz DJRTZFBDRLDZCA-PIIWDFAUSA-N 0 1 456.517 5.755 50 30 JKEAMN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(F)cc2)c1 ZINC000018250720 556316329 /nfs/dbraw/zinc/31/63/29/556316329.db2.gz DJRTZFBDRLDZCA-MMTVBGGISA-N 0 1 456.517 5.755 50 30 JKEAMN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(F)cc2)c1 ZINC000018250722 556316582 /nfs/dbraw/zinc/31/65/82/556316582.db2.gz DJRTZFBDRLDZCA-NGOKVRLYSA-N 0 1 456.517 5.755 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1 ZINC000018250740 556316588 /nfs/dbraw/zinc/31/65/88/556316588.db2.gz LYWQNZVLCGBJLO-ONOMSOESSA-N 0 1 470.638 7.229 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000018254420 556316947 /nfs/dbraw/zinc/31/69/47/556316947.db2.gz HLUQFNQIILJZMV-LJAQVGFWSA-N 0 1 472.673 7.707 50 30 JKEAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000018254422 556316966 /nfs/dbraw/zinc/31/69/66/556316966.db2.gz HLUQFNQIILJZMV-GDLZYMKVSA-N 0 1 472.673 7.707 50 30 JKEAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccccc2)C1 ZINC000018283909 556318597 /nfs/dbraw/zinc/31/85/97/556318597.db2.gz GHJRSVXUXSRDAC-FXIUYDPHSA-N 0 1 495.667 6.981 50 30 JKEAMN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1c[nH]c2ccccc21 ZINC000018322584 556319192 /nfs/dbraw/zinc/31/91/92/556319192.db2.gz SMLFIUCOHLDJME-MUUNZHRXSA-N 0 1 461.565 6.625 50 30 biogenic JKEAMN CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1 ZINC000018286775 556319319 /nfs/dbraw/zinc/31/93/19/556319319.db2.gz MLASCQDFELZPIC-PZGXJGMVSA-N 0 1 465.597 6.300 50 30 JKEAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cccnc2)cc1OC ZINC000018323908 556319577 /nfs/dbraw/zinc/31/95/77/556319577.db2.gz BUHHCAPCQHGITF-ONOMSOESSA-N 0 1 495.579 5.409 50 30 JKEAMN C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccc(OCc2ccccc2)c1 ZINC000019682287 556359764 /nfs/dbraw/zinc/35/97/64/556359764.db2.gz PLYPCLDRALUXOL-WEMUVCOSSA-N 0 1 459.593 5.987 50 30 JKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000058511258 563206769 /nfs/dbraw/zinc/20/67/69/563206769.db2.gz SPAFDBFMKFHNFF-OCMGXCBMSA-N 0 1 489.015 6.091 50 30 JKEAMN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000008438776 569589772 /nfs/dbraw/zinc/58/97/72/569589772.db2.gz XQOSCPHVEBIVBK-RUZDIDTESA-N 0 1 486.955 5.651 50 30 JKEAMN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008440075 569589846 /nfs/dbraw/zinc/58/98/46/569589846.db2.gz LFEOLSIYFSHSOH-MHZLTWQESA-N 0 1 484.596 5.362 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008440600 569590070 /nfs/dbraw/zinc/59/00/70/569590070.db2.gz JMPUIRYWWOXSLF-DEOSSOPVSA-N 0 1 463.574 5.164 50 30 JKEAMN CCCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)cc1 ZINC000008445111 569590604 /nfs/dbraw/zinc/59/06/04/569590604.db2.gz PJBRAPMNULBSBF-UVDDSOTQSA-N 0 1 496.607 6.405 50 30 JKEAMN C=C[C@H]1C[N@@H+]2CC[C@@H]1C[C@H]2[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccnc2ccc(OC)cc21 ZINC000008452209 569591051 /nfs/dbraw/zinc/59/10/51/569591051.db2.gz WZTSLYRAKJXSPS-PNXFZVJUSA-N 0 1 484.640 6.335 50 30 JKEAMN CN(C)c1ccc([C@H]2NC[C@H](CSc3nc(-c4cccs4)cc(C(F)(F)F)c3C#N)O2)cc1 ZINC000055212187 569591253 /nfs/dbraw/zinc/59/12/53/569591253.db2.gz NHAFLDDHDMHTGN-IERDGZPVSA-N 0 1 490.576 5.546 50 30 JKEAMN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2cc(C)on2)cc1OC ZINC000008468783 569591812 /nfs/dbraw/zinc/59/18/12/569591812.db2.gz RYMRSKFZRSDGCP-QHCPKHFHSA-N 0 1 480.517 5.245 50 30 JKEAMN Cc1ccc(Sc2[nH]c(-c3ccccc3)nc2C=NNc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000008733675 569601642 /nfs/dbraw/zinc/60/16/42/569601642.db2.gz VCFZATJFOLWCCK-UVHMKAGCSA-N 0 1 487.843 7.943 50 30 JKEAMN CC1(C)Oc2ccccc2[C@H]2O[C@@](C)(C#CCN(Cc3ccccc3)Cc3ccccc3)CC[C@H]21 ZINC000034377866 569640158 /nfs/dbraw/zinc/64/01/58/569640158.db2.gz FICLHMZQURYKDA-MZMVFCBMSA-N 0 1 465.637 6.790 50 30 biogenic JKEAMN Cc1ccc(NC(=O)c2cnn3c2NC2=C(C(=O)CCC2)[C@H]3c2c(Cl)cccc2Cl)cc1 ZINC000064874242 569641492 /nfs/dbraw/zinc/64/14/92/569641492.db2.gz OQNXYTGXESZFLY-JOCHJYFZSA-N 0 1 467.356 5.773 50 30 JKEAMN COc1cc(C#N)ccc1O[C@H](CCN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000034727254 569652990 /nfs/dbraw/zinc/65/29/90/569652990.db2.gz KIJWJHADFLSAOZ-AREMUKBSSA-N 0 1 459.565 5.034 50 30 JKEAMN COc1ccc(Br)cc1/C=N/N=C1\SC(C)C(=O)N1Cc1cccc2ccccc21 ZINC000095471655 569723566 /nfs/dbraw/zinc/72/35/66/569723566.db2.gz GDFOLGCBAKLQLZ-MDGVKSMRSA-N 0 1 482.403 5.465 50 30 JKEAMN Cc1cc(N2C(=O)C(O)=C(C(=O)c3sc(-c4ccccc4)nc3C)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000096193765 569737261 /nfs/dbraw/zinc/73/72/61/569737261.db2.gz SFNKDUDYEHSRFG-FQEVSTJZSA-N 0 1 491.956 5.851 50 30 JKEAMN CCOC(=O)c1c(C)c(C)sc1/N=C/c1cc(Br)cc(Br)c1O ZINC000097050931 569744152 /nfs/dbraw/zinc/74/41/52/569744152.db2.gz RVYLXPHJTJUCRI-FBCYGCLPSA-N 0 1 461.175 5.523 50 30 JKEAMN O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073028 569750267 /nfs/dbraw/zinc/75/02/67/569750267.db2.gz RVAZSAOQCLMGER-UHFFFAOYSA-N 0 1 466.172 5.427 50 30 JKEAMN O=C(Nc1cccc(/N=C/c2cc(Br)cc(Cl)c2O)c1)c1cc2ccccc2o1 ZINC000098087272 569750644 /nfs/dbraw/zinc/75/06/44/569750644.db2.gz QRXVKVGIPUHBME-BRJLIKDPSA-N 0 1 469.722 6.557 50 30 JKEAMN O=C(Nc1cc(Cl)cc(Cl)c1)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)C(F)(F)F ZINC000100405155 569759293 /nfs/dbraw/zinc/75/92/93/569759293.db2.gz BOPSPIOZABUPGT-QDTIIGTASA-N 0 1 472.172 5.550 50 30 JKEAMN CCCCCn1c2ccccc2nc1/N=C/c1cc(Br)cc(Br)c1O ZINC000100174108 569754782 /nfs/dbraw/zinc/75/47/82/569754782.db2.gz DLCVQPILPJXHIG-WSDLNYQXSA-N 0 1 465.189 6.208 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100340498 569757703 /nfs/dbraw/zinc/75/77/03/569757703.db2.gz ASCWGEMODSKYOK-MRJHHRETSA-N 0 1 498.413 5.249 50 30 JKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1 ZINC000036301663 569759206 /nfs/dbraw/zinc/75/92/06/569759206.db2.gz NMFFORQYHJQDOF-HSZRJFAPSA-N 0 1 484.040 6.174 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000100439651 569761284 /nfs/dbraw/zinc/76/12/84/569761284.db2.gz PFMZVAXTSVQSHC-YDJIHCHBSA-N 0 1 486.377 5.379 50 30 JKEAMN Oc1c(Br)cc(Br)cc1/C=N/c1ccc2oc(-c3ccccc3F)nc2c1 ZINC000100506298 569763062 /nfs/dbraw/zinc/76/30/62/569763062.db2.gz ZMFMPQSQAHUMAH-YSURURNPSA-N 0 1 490.126 6.615 50 30 JKEAMN C=CCC[C@@H](O)CN(CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1 ZINC000036316508 569763229 /nfs/dbraw/zinc/76/32/29/569763229.db2.gz MDHSPDVVAVARNI-HSZRJFAPSA-N 0 1 451.586 5.905 50 30 JKEAMN C=CCOC[C@@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036316532 569763285 /nfs/dbraw/zinc/76/32/85/569763285.db2.gz JGWDLCKSIKKTND-DEOSSOPVSA-N 0 1 479.596 5.142 50 30 JKEAMN C=CCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2cc(C)ccc2C)CC1 ZINC000036340319 569763806 /nfs/dbraw/zinc/76/38/06/569763806.db2.gz NAVPXOBXKDHLSO-MHZLTWQESA-N 0 1 470.661 5.109 50 30 JKEAMN CCc1cccc([C@H](C)CC)c1NC(=O)C(C(C)=O)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000100721907 569767761 /nfs/dbraw/zinc/76/77/61/569767761.db2.gz NGYBPWUWCBBVPM-JLTOFOAXSA-N 0 1 451.950 5.478 50 30 JKEAMN CCc1cccc([C@H](C)CC)c1NC(=O)C(C(C)=O)=C1C(=O)c2ccccc2C(O)=C1Cl ZINC000100721910 569767814 /nfs/dbraw/zinc/76/78/14/569767814.db2.gz NGYBPWUWCBBVPM-VLIAUNLRSA-N 0 1 451.950 5.478 50 30 JKEAMN C=CCC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C1CC1 ZINC000036346485 569769929 /nfs/dbraw/zinc/76/99/29/569769929.db2.gz YSJPISKDCJPFDN-XMMPIXPASA-N 0 1 475.633 6.088 50 30 JKEAMN C#CCOC[C@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346476 569769981 /nfs/dbraw/zinc/76/99/81/569769981.db2.gz SDCWJWQGJYOTDK-XMMPIXPASA-N 0 1 491.632 5.018 50 30 JKEAMN C#CCOC[C@@H](O)CN(Cc1c(C(C)C)nn(-c2ccc(OC)cc2)c1Oc1ccccc1)C(C)C ZINC000036346475 569769996 /nfs/dbraw/zinc/76/99/96/569769996.db2.gz SDCWJWQGJYOTDK-DEOSSOPVSA-N 0 1 491.632 5.018 50 30 JKEAMN C=CCOC[C@H](O)CN(Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036346549 569770161 /nfs/dbraw/zinc/77/01/61/569770161.db2.gz POOGTVIKGBELFH-RUZDIDTESA-N 0 1 475.633 5.311 50 30 JKEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(C)cc3C)C(=O)c3ccccc32)cc1 ZINC000100822218 569771457 /nfs/dbraw/zinc/77/14/57/569771457.db2.gz QFQDDSCRIXMYNE-COOPMVRXSA-N 0 1 460.555 5.072 50 30 JKEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 ZINC000100822341 569771554 /nfs/dbraw/zinc/77/15/54/569771554.db2.gz UTOGFWAFPBDMQU-COOPMVRXSA-N 0 1 460.555 5.072 50 30 JKEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3cc(Cl)ccc3C)C(=O)c3ccccc32)cc1 ZINC000100822323 569771597 /nfs/dbraw/zinc/77/15/97/569771597.db2.gz CKVCXQMKBCKXPQ-NFFVHWSESA-N 0 1 480.973 5.417 50 30 JKEAMN CCCCOc1ccccc1NC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O ZINC000100982205 569778489 /nfs/dbraw/zinc/77/84/89/569778489.db2.gz RFJVSISNBNRACS-ZGGJALHESA-N 0 1 473.598 6.030 50 30 JKEAMN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000101287083 569789353 /nfs/dbraw/zinc/78/93/53/569789353.db2.gz ZBQLZEOHKRJZBH-MRJHHRETSA-N 0 1 485.323 5.481 50 30 JKEAMN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000101287215 569789374 /nfs/dbraw/zinc/78/93/74/569789374.db2.gz APBGUNIWWVINKH-CZNAVJSXSA-N 0 1 499.611 5.257 50 30 JKEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2ccccc2)c1 ZINC000101313624 569792192 /nfs/dbraw/zinc/79/21/92/569792192.db2.gz DMNHJTGVEJNYRR-JLPDLQRYSA-N 0 1 481.548 5.197 50 30 JKEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000101313610 569792240 /nfs/dbraw/zinc/79/22/40/569792240.db2.gz MDMPZMATCVIYMW-LODGOHBISA-N 0 1 495.575 5.239 50 30 JKEAMN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000101313614 569792271 /nfs/dbraw/zinc/79/22/71/569792271.db2.gz MDMPZMATCVIYMW-YFVVEFNMSA-N 0 1 495.575 5.239 50 30 JKEAMN CCCCCCC[C@@](O)(c1ccc(OCCCC)cc1)[C@@H](CN1CCOCC1)c1ccccc1 ZINC000101464730 569798596 /nfs/dbraw/zinc/79/85/96/569798596.db2.gz ODJUKBIHLUMBFK-XZWHSSHBSA-N 0 1 467.694 6.530 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102929077 569827699 /nfs/dbraw/zinc/82/76/99/569827699.db2.gz HAWXUUKTFPRYGW-GHNGSUTGSA-N 0 1 454.737 5.105 50 30 JKEAMN O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000102862742 569825177 /nfs/dbraw/zinc/82/51/77/569825177.db2.gz XSNVSQMCSWMBSA-YDJIHCHBSA-N 0 1 493.447 5.109 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000102862742 569825180 /nfs/dbraw/zinc/82/51/80/569825180.db2.gz XSNVSQMCSWMBSA-YDJIHCHBSA-N 0 1 493.447 5.109 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102866402 569825717 /nfs/dbraw/zinc/82/57/17/569825717.db2.gz SQYBUNUHMAZTQM-WOOAAIBNSA-N 0 1 450.903 5.477 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(Cl)cc3)sc2c1 ZINC000102874565 569826134 /nfs/dbraw/zinc/82/61/34/569826134.db2.gz VKUXASXOVZAIPI-MOBKVPTQSA-N 0 1 490.968 5.975 50 30 JKEAMN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2Cc2cccnc2)c1 ZINC000102874870 569826310 /nfs/dbraw/zinc/82/63/10/569826310.db2.gz PNWFUJBNBQJTIS-NGAXIMOQSA-N 0 1 498.579 5.206 50 30 JKEAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102875900 569826380 /nfs/dbraw/zinc/82/63/80/569826380.db2.gz BQZACEOXTHRFNI-YDJIHCHBSA-N 0 1 467.930 5.205 50 30 JKEAMN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCc2ccccc2)c1 ZINC000102927693 569826866 /nfs/dbraw/zinc/82/68/66/569826866.db2.gz CDQWSMFJDQMGHD-YFVVEFNMSA-N 0 1 497.591 5.463 50 30 JKEAMN COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102928387 569827098 /nfs/dbraw/zinc/82/70/98/569827098.db2.gz KRIWSMLYXDVXLZ-YDJIHCHBSA-N 0 1 499.748 5.132 50 30 JKEAMN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCCOC)c1 ZINC000102928426 569827132 /nfs/dbraw/zinc/82/71/32/569827132.db2.gz FQFMTZPQVIUQTR-KXCNXCNDSA-N 0 1 493.600 5.037 50 30 JKEAMN CCOc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3F)sc2c1 ZINC000102928242 569827180 /nfs/dbraw/zinc/82/71/80/569827180.db2.gz PHVFHRDYEXTVTE-NHFXJNLRSA-N 0 1 480.542 5.522 50 30 JKEAMN Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3F)sc2c1 ZINC000102929056 569827640 /nfs/dbraw/zinc/82/76/40/569827640.db2.gz HBYFLEHSMJXVTC-LFVOPCPISA-N 0 1 450.516 5.432 50 30 JKEAMN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccc(Cl)cc2)o1 ZINC000102929608 569827759 /nfs/dbraw/zinc/82/77/59/569827759.db2.gz GBMSNZKQEOGGNL-OBVHCKHUSA-N 0 1 478.957 6.094 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccc(F)cc2)cc1 ZINC000102930649 569828012 /nfs/dbraw/zinc/82/80/12/569828012.db2.gz PTEYJNTZDBELLY-MOBKVPTQSA-N 0 1 492.503 5.600 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1F)c1ccc(F)cc1 ZINC000102930776 569828180 /nfs/dbraw/zinc/82/81/80/569828180.db2.gz DXYHZMKXNWWEBT-NHFXJNLRSA-N 0 1 466.440 5.340 50 30 JKEAMN COc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2cc(C)on2)ccc1OCCC(C)C ZINC000102931584 569828405 /nfs/dbraw/zinc/82/84/05/569828405.db2.gz GBUYBVSYEODCHW-SBXHHDGASA-N 0 1 494.519 5.182 50 30 JKEAMN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000102931364 569828489 /nfs/dbraw/zinc/82/84/89/569828489.db2.gz JQSDKHRPRUMJRJ-ZHHPLPSFSA-N 0 1 485.024 5.020 50 30 JKEAMN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@H]2c2ccc(CC)cc2)cc1C ZINC000103143763 569833366 /nfs/dbraw/zinc/83/33/66/569833366.db2.gz PROBMEATZMILPP-IUKMQXEJSA-N 0 1 465.590 5.195 50 30 JKEAMN Cc1ccc(S(=O)(=O)N=C2CC(=Nc3ccc(Cl)c(Cl)c3)C(=O)c3ccccc32)c(C)c1 ZINC000103321433 569834574 /nfs/dbraw/zinc/83/45/74/569834574.db2.gz YWWHTVJCWACECD-HFTWOUSFSA-N 0 1 485.392 5.981 50 30 JKEAMN CCOc1ccc(S(=O)(=O)N=C2CC(=Nc3cc(C)ccc3C)C(=O)c3ccccc32)cc1 ZINC000103746529 569837656 /nfs/dbraw/zinc/83/76/56/569837656.db2.gz IESRZFXQPKDBKY-ZZIIXHQDSA-N 0 1 460.555 5.072 50 30 JKEAMN O=C(C1=C([O-])C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000104078903 569840517 /nfs/dbraw/zinc/84/05/17/569840517.db2.gz ZOXREWXJZLKASB-NHFXJNLRSA-N 0 1 452.825 5.014 50 30 JKEAMN O=C(C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000104078903 569840518 /nfs/dbraw/zinc/84/05/18/569840518.db2.gz ZOXREWXJZLKASB-NHFXJNLRSA-N 0 1 452.825 5.014 50 30 JKEAMN CCc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)C(=O)C(=O)N2CCCOC)cc1 ZINC000104187085 569842638 /nfs/dbraw/zinc/84/26/38/569842638.db2.gz XVPUENCFDBYGFL-IUKMQXEJSA-N 0 1 465.590 5.050 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000104230146 569843572 /nfs/dbraw/zinc/84/35/72/569843572.db2.gz YNBIORGPLMXQAQ-CJJGVWJISA-N 0 1 493.644 5.786 50 30 JKEAMN COCCCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000104230140 569843575 /nfs/dbraw/zinc/84/35/75/569843575.db2.gz YNBIORGPLMXQAQ-CZNAVJSXSA-N 0 1 493.644 5.786 50 30 JKEAMN C=C(C)CN1CCN(c2c(CCCCCCCC)c(C)c(C#N)c3nc4ccccc4n32)CC1 ZINC000050860249 569850438 /nfs/dbraw/zinc/85/04/38/569850438.db2.gz JPIMAMSDDRLROJ-UHFFFAOYSA-N 0 1 457.666 6.269 50 30 JKEAMN CCCCC1S/C(=N\N=C\c2cc(Br)ccc2OC)N(Cc2ccc(F)cc2)C1=O ZINC000051367014 569852360 /nfs/dbraw/zinc/85/23/60/569852360.db2.gz HOBNKNFDAAXNQZ-AHYCLHFZSA-N 0 1 492.414 5.621 50 30 JKEAMN Cc1c(C#N)c2nc3ccccc3n2c(N2CCN(C/C=C/c3ccccc3)CC2)c1Cc1ccccc1 ZINC000052538832 569852375 /nfs/dbraw/zinc/85/23/75/569852375.db2.gz JVHSGPMJFIPQSP-XNTDXEJSSA-N 0 1 497.646 6.094 50 30 JKEAMN C=CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680074 569870072 /nfs/dbraw/zinc/87/00/72/569870072.db2.gz DNOPZCRSVHTTIJ-JTHBVZDNSA-N 0 1 479.621 5.052 50 30 JKEAMN COc1ccc(CN2c3ccccc3N=C3C[C@H](c4ccco4)CC(=O)C3[C@@H]2c2ccccc2)cc1 ZINC000215864196 569877778 /nfs/dbraw/zinc/87/77/78/569877778.db2.gz IVLKWMOZVCUMGY-FWUCURJTSA-N 0 1 476.576 6.862 50 30 JKEAMN Fc1ccc(Br)cc1C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000239038510 570048681 /nfs/dbraw/zinc/04/86/81/570048681.db2.gz DITPDGOIJKKCJS-UHFFFAOYSA-N 0 1 450.355 5.310 50 30 JKEAMN CCOC(=O)c1ccc(N=C2S/C(=C\c3cc(Br)cc(Cl)c3O)C(=O)N2C)cc1 ZINC000252589662 570083910 /nfs/dbraw/zinc/08/39/10/570083910.db2.gz AMCJLFVXKHWLTK-IJTBWSOMSA-N 0 1 495.782 5.219 50 30 JKEAMN Oc1ccccc1C=Nc1ccc2nc(C=Cc3cccc(N=Cc4ccccc4O)c3)[nH]c2c1 ZINC000252596354 570084559 /nfs/dbraw/zinc/08/45/59/570084559.db2.gz CIOVEHAHZMDTCI-XBWBZACGSA-N 0 1 458.521 6.646 50 30 JKEAMN C(=Nc1ccc(-c2nc3ccc(N=Cc4ccc5c(c4)OCO5)cc3[nH]2)cc1)c1ccc2c(c1)OCO2 ZINC000252598213 570084800 /nfs/dbraw/zinc/08/48/00/570084800.db2.gz CYFYEEJALCGPMH-UHFFFAOYSA-N 0 1 488.503 6.189 50 30 JKEAMN Fc1ccc(Nc2nc(=NN=Cc3ccc(-c4ccc(Cl)cc4)o3)nc(N3CCCCC3)[nH]2)cc1 ZINC000252611893 570086173 /nfs/dbraw/zinc/08/61/73/570086173.db2.gz INYFXGNHYJCTAN-UHFFFAOYSA-N 0 1 491.958 6.104 50 30 JKEAMN Clc1ccccc1-c1ccc(C=NN=c2nc(Nc3ccccc3)[nH]c(Nc3ccccc3)n2)o1 ZINC000252619153 570087063 /nfs/dbraw/zinc/08/70/63/570087063.db2.gz LNLXKFAKNCBXGZ-UHFFFAOYSA-N 0 1 481.947 6.718 50 30 JKEAMN C=C[C@@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc21 ZINC000252628391 570088933 /nfs/dbraw/zinc/08/89/33/570088933.db2.gz SPAFDBFMKFHNFF-DZWUYBEZSA-N 0 1 489.015 6.091 50 30 JKEAMN COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc(Br)cc(Cl)c1O ZINC000252629288 570089063 /nfs/dbraw/zinc/08/90/63/570089063.db2.gz UCRKTAXJKBKNPK-UHFFFAOYSA-N 0 1 471.738 6.684 50 30 JKEAMN CC(C)CN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2O)SC1=Nc1ccc(N(C)C)cc1 ZINC000252629386 570089075 /nfs/dbraw/zinc/08/90/75/570089075.db2.gz UEUVGOVWCSBCTJ-KCCHFVDDSA-N 0 1 464.418 6.025 50 30 JKEAMN CCCCCCCCn1c2ccccc2nc1N=Cc1cc(Cl)cc(Br)c1O ZINC000252629640 570089169 /nfs/dbraw/zinc/08/91/69/570089169.db2.gz UKRFSTWDTMIBHL-UHFFFAOYSA-N 0 1 462.819 7.269 50 30 JKEAMN Cc1ccc2oc(-c3cccc(N=Cc4cc(Br)cc(Br)c4O)c3)nc2c1 ZINC000252633632 570089628 /nfs/dbraw/zinc/08/96/28/570089628.db2.gz WEYVYXVRINQPPW-UHFFFAOYSA-N 0 1 486.163 6.784 50 30 JKEAMN Cc1cc(Cl)ccc1N=Cc1cc(I)cc(I)c1O ZINC000252634617 570089785 /nfs/dbraw/zinc/08/97/85/570089785.db2.gz WPFRXZMMQNGVQM-UHFFFAOYSA-N 0 1 497.501 5.314 50 30 JKEAMN COc1ccc(N=C2S/C(=C\c3cc(Br)cc(Cl)c3O)C(=O)N2C)cc1 ZINC000252637174 570090109 /nfs/dbraw/zinc/09/01/09/570090109.db2.gz XPUHYKWNQHWVQK-KURFGLPPSA-N 0 1 453.745 5.051 50 30 JKEAMN