smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000013120218 530039461 /nfs/dbraw/zinc/03/94/61/530039461.db2.gz SDGIHZCLZRTRKM-LVVZJAEZSA-N -1 0 377.425 4.100 50 30 GIEARM CC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1ccc(Br)s1 ZINC000004610363 204056521 /nfs/dbraw/zinc/05/65/21/204056521.db2.gz KMSOFUBYBPAURC-UFWORHAWSA-N -1 0 387.266 4.166 50 30 GIEARM C=CCOc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OCC ZINC000004690159 204064813 /nfs/dbraw/zinc/06/48/13/204064813.db2.gz PVBCTRTXWZEEBF-KGENOOAVSA-N -1 0 380.473 4.453 50 30 GIEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@@](Cl)(C(=O)OC)CCC1=O ZINC000100705357 519983895 /nfs/dbraw/zinc/98/38/95/519983895.db2.gz RWCAQFKEUFLKTP-FXAWDEMLSA-N -1 0 386.916 4.175 50 30 GIEARM Cc1[n-]n(-c2nc(C(C)(C)C)cs2)c(=O)c1N=Nc1ccccc1Cl ZINC000100005957 520898377 /nfs/dbraw/zinc/89/83/77/520898377.db2.gz HAYGGZUBWXLJDG-KGENOOAVSA-N -1 0 375.885 4.285 50 30 GIEARM Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000095215275 524915215 /nfs/dbraw/zinc/91/52/15/524915215.db2.gz PZPCVNRUPJPBCQ-DARPEHSRSA-N -1 0 399.410 4.122 50 30 GIEARM Cc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(-c2ccccc2)c1=O ZINC000100532561 525219407 /nfs/dbraw/zinc/21/94/07/525219407.db2.gz DBFKEZZPTLMYAW-FLFQWRMESA-N -1 0 399.410 4.122 50 30 GIEARM Cc1nc(-c2ccccc2)sc1C(=O)[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000040129769 526601501 /nfs/dbraw/zinc/60/15/01/526601501.db2.gz MHGWHTKJKFBMDW-UHFFFAOYSA-N -1 0 386.498 4.429 50 30 GIEARM O=C1C(=O)N(Cc2ccco2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000102491566 526954979 /nfs/dbraw/zinc/95/49/79/526954979.db2.gz XUKJMLFJXCMOIM-WOOAAIBNSA-N -1 0 377.371 4.041 50 30 GIEARM C=CCN1C(=O)[C@@H](Cc2cccc(C)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000001229761 570259294 /nfs/dbraw/zinc/25/92/94/570259294.db2.gz FXKAWMNMNUOWAV-UGNPLGLKSA-N -1 0 380.469 4.053 50 30 GIEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1Br ZINC000001239311 570259737 /nfs/dbraw/zinc/25/97/37/570259737.db2.gz RVWKGDGMFLTYJH-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000000779453 570322345 /nfs/dbraw/zinc/32/23/45/570322345.db2.gz CEHZPXULSNRIGE-OLZOCXBDSA-N -1 0 378.881 4.061 50 30 GIEARM [O-]C1=C[C@@](O)(C(F)(F)C(F)(F)OC(F)(F)F)Oc2c3ccccc3ccc21 ZINC000003097153 570503170 /nfs/dbraw/zinc/50/31/70/570503170.db2.gz ZKMCPEZTLVCGCX-ZDUSSCGKSA-N -1 0 398.230 4.258 50 30 GIEARM Cc1ccc2c(c1)C(=NNc1c(Cl)c(Cl)nc(C(=O)[O-])c1Cl)C(=O)N2 ZINC000007985071 570679680 /nfs/dbraw/zinc/67/96/80/570679680.db2.gz STWNZQYRLDSUOX-UHFFFAOYSA-N -1 0 399.621 4.466 50 30 GIEARM COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccccc2C#N)cc1 ZINC000000953492 570737092 /nfs/dbraw/zinc/73/70/92/570737092.db2.gz ZZLALGCKIJDOJV-UHFFFAOYSA-N -1 0 380.425 4.160 50 30 GIEARM CCc1cccc(CC)c1-n1cc(C(=O)c2cc(C)ccc2[O-])cc(C#N)c1=O ZINC000005863710 570798281 /nfs/dbraw/zinc/79/82/81/570798281.db2.gz UWUXIYRTXDLWFY-UHFFFAOYSA-N -1 0 386.451 4.079 50 30 GIEARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccccc1C#N ZINC000012605576 570888831 /nfs/dbraw/zinc/88/88/31/570888831.db2.gz IWEMDEQDZARTMG-UHFFFAOYSA-N -1 0 384.379 4.167 50 30 GIEARM Cc1[n-]n(-c2nc(C(C)(C)C)cs2)c(=O)c1N=Nc1ccccc1Cl ZINC000252460643 570960160 /nfs/dbraw/zinc/96/01/60/570960160.db2.gz HAYGGZUBWXLJDG-UHFFFAOYSA-N -1 0 375.885 4.285 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O1 ZINC000025539302 820000250 /nfs/dbraw/zinc/00/02/50/820000250.db2.gz MNYWLRDZNAUTGK-PXPSOEEZSA-N -1 0 391.206 4.482 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O1 ZINC000025539298 820000332 /nfs/dbraw/zinc/00/03/32/820000332.db2.gz MNYWLRDZNAUTGK-HNSSHINMSA-N -1 0 391.206 4.482 50 30 GIEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3cccc(Cl)c3Cl)c2)c1 ZINC000005861915 204154625 /nfs/dbraw/zinc/15/46/25/204154625.db2.gz AVCOLFFBJCWFPQ-UHFFFAOYSA-N -1 0 399.233 4.261 50 30 GIEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3c(Cl)cccc3Cl)c2)c1 ZINC000005863874 204154668 /nfs/dbraw/zinc/15/46/68/204154668.db2.gz AYPCIXMGAWLDBG-UHFFFAOYSA-N -1 0 399.233 4.261 50 30 GIEARM Fc1ccccc1-c1n[n-]c(=S)n1N=Cc1cccc(Br)c1 ZINC000006102789 204166226 /nfs/dbraw/zinc/16/62/26/204166226.db2.gz AABYTNPBQJJJLW-GIJQJNRQSA-N -1 0 377.242 4.391 50 30 GIEARM Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(F)cc2)n1 ZINC000006813374 204211187 /nfs/dbraw/zinc/21/11/87/204211187.db2.gz FUDBLPJQNFDYPI-GOSISDBHSA-N -1 0 394.427 4.374 50 30 GIEARM C[C@H](Oc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000006510694 204181086 /nfs/dbraw/zinc/18/10/86/204181086.db2.gz WVJONGWPMYKBRJ-QNCMIEPLSA-N -1 0 375.218 4.197 50 30 GIEARM N#Cc1c(=O)[n-]c(SCC(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000007995197 204258518 /nfs/dbraw/zinc/25/85/18/204258518.db2.gz KXANNJMOIULRRP-UHFFFAOYSA-N -1 0 396.859 4.105 50 30 GIEARM CCOC(=O)c1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1 ZINC000008844180 204291830 /nfs/dbraw/zinc/29/18/30/204291830.db2.gz MHDGSPRIXMOFEM-UHFFFAOYSA-N -1 0 391.452 4.190 50 30 GIEARM CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000008214703 204264979 /nfs/dbraw/zinc/26/49/79/204264979.db2.gz TVHAZVBUYQMHBC-SNHXEXRGSA-N -1 0 382.541 4.255 50 30 fda GIEARM CCOC(=O)c1nnsc1[N-]c1ccccc1/N=C/c1ccc(OC)cc1 ZINC000001417031 206212675 /nfs/dbraw/zinc/21/26/75/206212675.db2.gz IEDMPFKUKRXZJP-UDWIEESQSA-N -1 0 382.445 4.218 50 30 GIEARM C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=S ZINC000015013496 518832454 /nfs/dbraw/zinc/83/24/54/518832454.db2.gz FOCOGUXQDJMJFG-MHWRWJLKSA-N -1 0 385.466 4.340 50 30 GIEARM CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)[O-] ZINC000032705961 520646255 /nfs/dbraw/zinc/64/62/55/520646255.db2.gz VBSPVFQZTADSNX-UKWGHVSLSA-N -1 0 383.231 4.302 50 30 GIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2OC)c(O)c1 ZINC000005643993 520885143 /nfs/dbraw/zinc/88/51/43/520885143.db2.gz FPETXKMUZIUTKS-FYJGNVAPSA-N -1 0 397.504 4.050 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000102886141 525045953 /nfs/dbraw/zinc/04/59/53/525045953.db2.gz IIIZRFIYYUIZJQ-LFVOPCPISA-N -1 0 392.386 4.057 50 30 GIEARM C[C@@H](Oc1ccc(C(=O)/C=C/c2cccc(Br)c2)cc1)C(=O)[O-] ZINC000013140766 525921369 /nfs/dbraw/zinc/92/13/69/525921369.db2.gz AKAKPTCLHWYKMU-SBKJXLNCSA-N -1 0 375.218 4.197 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000017145996 526271853 /nfs/dbraw/zinc/27/18/53/526271853.db2.gz STBKEAFJLBFCFD-INIZCTEOSA-N -1 0 380.400 4.065 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@H](c2cccs2)C1=C([O-])c1ccc(F)cc1 ZINC000018067854 526272316 /nfs/dbraw/zinc/27/23/16/526272316.db2.gz SDNFUEXEZGDVKV-CQSZACIVSA-N -1 0 386.429 4.127 50 30 GIEARM O=C([O-])c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000019771668 526374346 /nfs/dbraw/zinc/37/43/46/526374346.db2.gz VYXBOGPOYSXETO-HXUWFJFHSA-N -1 0 399.402 4.168 50 30 GIEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 ZINC000011916898 527014119 /nfs/dbraw/zinc/01/41/19/527014119.db2.gz QWIRQXQRGPUNJM-UHFFFAOYSA-N -1 0 376.438 4.171 50 30 GIEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=NNc2cccc3cccnc32)c1 ZINC000038162131 527325657 /nfs/dbraw/zinc/32/56/57/527325657.db2.gz SOBXKPJODJGXKM-DJKKODMXSA-N -1 0 387.193 4.057 50 30 GIEARM [O-]c1c(Br)cc(Br)cc1/C=N/NCc1ccccc1 ZINC000002895644 570317412 /nfs/dbraw/zinc/31/74/12/570317412.db2.gz XTISYVRZTWVHGB-GIJQJNRQSA-N -1 0 384.071 4.041 50 30 GIEARM N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000000779454 570322438 /nfs/dbraw/zinc/32/24/38/570322438.db2.gz CEHZPXULSNRIGE-CHWSQXEVSA-N -1 0 378.881 4.061 50 30 GIEARM CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000524729321 570420620 /nfs/dbraw/zinc/42/06/20/570420620.db2.gz OGFJXRVPMQRGDU-AWEZNQCLSA-N -1 0 380.396 4.319 50 30 GIEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 ZINC000011915955 570448054 /nfs/dbraw/zinc/44/80/54/570448054.db2.gz AGRRDQCPVKFPGU-UHFFFAOYSA-N -1 0 378.866 4.377 50 30 GIEARM CCCCCCCc1c(C)[n-]n(-c2nnc3c4ccccc4n(CC)c3n2)c1=O ZINC000136240464 570549566 /nfs/dbraw/zinc/54/95/66/570549566.db2.gz BURLABITCCORBU-UHFFFAOYSA-N -1 0 392.507 4.300 50 30 GIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2[n-]c1=S ZINC000032902907 570900974 /nfs/dbraw/zinc/90/09/74/570900974.db2.gz VZEBQGSNFYVELT-UHFFFAOYSA-N -1 0 388.452 4.046 50 30 GIEARM C[C@@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C(=O)[O-])c3ccc(F)cc3)sc2C1 ZINC000012727984 570972348 /nfs/dbraw/zinc/97/23/48/570972348.db2.gz FGOGGVGAZLLZQN-IAQYHMDHSA-N -1 0 386.448 4.081 50 30 GIEARM COc1ccc(/C=C/C(=O)c2c([O-])c(OC)c3occc3c2OC)cc1OC ZINC000015768409 818366992 /nfs/dbraw/zinc/36/69/92/818366992.db2.gz VBHRTYFBLFRBHN-FNORWQNLSA-N -1 0 384.384 4.069 50 30 GIEARM CC(C)C(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@@H]1c1cccc(Cl)c1 ZINC000057878104 823343820 /nfs/dbraw/zinc/34/38/20/823343820.db2.gz OBCRZQDLHZWIGQ-QGZVFWFLSA-N -1 0 399.830 4.163 50 30 GIEARM Cc1nn(-c2ccccc2)c(Cl)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000005072588 204110131 /nfs/dbraw/zinc/11/01/31/204110131.db2.gz VMZPBDAZUVNDHX-HNNXBMFYSA-N -1 0 389.846 4.211 50 30 GIEARM Fc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccccc1Br ZINC000006059539 204162247 /nfs/dbraw/zinc/16/22/47/204162247.db2.gz UTNLKKMFPHELIS-GIJQJNRQSA-N -1 0 377.242 4.391 50 30 GIEARM O=C(NCc1ccccc1)c1ccc(/N=C/c2c(=O)oc3ccccc3c2[O-])cc1 ZINC000006061277 204162911 /nfs/dbraw/zinc/16/29/11/204162911.db2.gz FUGCQEYAMYLPOW-MFKUBSTISA-N -1 0 398.418 4.179 50 30 GIEARM O=[N+]([O-])c1ccc(Cl)c(C=Nn2c(-c3ccccc3F)n[n-]c2=S)c1 ZINC000005450573 204133580 /nfs/dbraw/zinc/13/35/80/204133580.db2.gz OGGMVMOIEXUGRA-QGMBQPNBSA-N -1 0 377.788 4.191 50 30 GIEARM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 ZINC000005649475 204143920 /nfs/dbraw/zinc/14/39/20/204143920.db2.gz JMTJBFCFLDSNMF-UFWORHAWSA-N -1 0 393.255 4.121 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccccc2F)no1 ZINC000006412931 204177104 /nfs/dbraw/zinc/17/71/04/204177104.db2.gz CBEDLAYJQPOKGN-SFHVURJKSA-N -1 0 396.349 4.044 50 30 GIEARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(C#N)cc2)CC(=O)N3)cc1 ZINC000040284034 205061248 /nfs/dbraw/zinc/06/12/48/205061248.db2.gz KFCKVNAXCOHPNR-KRWDZBQOSA-N -1 0 387.395 4.179 50 30 GIEARM CCCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000102520721 520049572 /nfs/dbraw/zinc/04/95/72/520049572.db2.gz NZFKVEPTVVYMAU-UHFFFAOYSA-N -1 0 394.475 4.110 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1ccccc1Cl)C(C#N)C#N ZINC000018143070 520889461 /nfs/dbraw/zinc/88/94/61/520889461.db2.gz XBNBQHZZJCMRHC-UXHICEINSA-N -1 0 376.847 4.121 50 30 GIEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1ccc(Cl)cc1Cl ZINC000101388203 520895669 /nfs/dbraw/zinc/89/56/69/520895669.db2.gz DHJFEMYPTHRWBS-HMMYKYKNSA-N -1 0 392.202 4.092 50 30 GIEARM CCCN(CCC)c1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004991728 521650151 /nfs/dbraw/zinc/65/01/51/521650151.db2.gz QGYPVLVAEWPKSL-HMMYKYKNSA-N -1 0 375.494 4.006 50 30 GIEARM COc1cc(C=NNc2ccc(C(=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000004548727 521992662 /nfs/dbraw/zinc/99/26/62/521992662.db2.gz ZPCNIQYOILKRAP-OEAKJJBVSA-N -1 0 376.412 4.418 50 30 GIEARM CN1C(=O)/C(=C\c2cccs2)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000252609031 523678013 /nfs/dbraw/zinc/67/80/13/523678013.db2.gz HPKXWMNGSCGDBI-WHGKGMQTSA-N -1 0 378.862 4.334 50 30 GIEARM Cc1c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000018024811 525522394 /nfs/dbraw/zinc/52/23/94/525522394.db2.gz FRQSUDDXTDAWPP-UFFVCSGVSA-N -1 0 376.243 4.247 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102930597 526957896 /nfs/dbraw/zinc/95/78/96/526957896.db2.gz OWNCHJRMEPTOGW-IBOXJLQUSA-N -1 0 396.855 4.423 50 30 GIEARM O=C([O-])C(=CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 ZINC000017146813 527550114 /nfs/dbraw/zinc/55/01/14/527550114.db2.gz FAHHTBNPAWKMSV-UQIFCHBJSA-N -1 0 380.278 4.370 50 30 GIEARM CSc1[n-]c(=O)c(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)cc1C#N ZINC000024745736 570289085 /nfs/dbraw/zinc/28/90/85/570289085.db2.gz AFGWZRVAARGCNH-UHFFFAOYSA-N -1 0 397.544 4.268 50 30 GIEARM Cc1cccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)c1 ZINC000001478849 570580961 /nfs/dbraw/zinc/58/09/61/570580961.db2.gz JZCIEUVLXAOULV-GIJQJNRQSA-N -1 0 389.278 4.266 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@@H](c2cccs2)C1=C([O-])c1ccc(F)cc1 ZINC000005483233 570611632 /nfs/dbraw/zinc/61/16/32/570611632.db2.gz SDNFUEXEZGDVKV-AWEZNQCLSA-N -1 0 386.429 4.127 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000017206993 570701489 /nfs/dbraw/zinc/70/14/89/570701489.db2.gz SINSFKMHUYOLBZ-KRWDZBQOSA-N -1 0 398.802 4.321 50 30 GIEARM C=CCn1c(=O)c(-c2nc(-c3cccc(Cl)c3)no2)c([O-])c2ccccc21 ZINC000101231571 570817031 /nfs/dbraw/zinc/81/70/31/570817031.db2.gz XGEIEVNQKRBYOC-UHFFFAOYSA-N -1 0 379.803 4.264 50 30 GIEARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000252610037 571009547 /nfs/dbraw/zinc/00/95/47/571009547.db2.gz HYGDHZLCZQTXEC-UHFFFAOYSA-N -1 0 391.456 4.009 50 30 GIEARM COc1ccc2ccccc2c1C=NNc1nnc2c3cccc(C)c3nc-2[n-]1 ZINC000252612253 571015284 /nfs/dbraw/zinc/01/52/84/571015284.db2.gz IQZLCILFBMJFQR-UHFFFAOYSA-N -1 0 382.427 4.422 50 30 GIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2[n-]c1=S ZINC000011427116 818080548 /nfs/dbraw/zinc/08/05/48/818080548.db2.gz HTOYEEBCRYFZGT-UHFFFAOYSA-N -1 0 385.876 4.459 50 30 GIEARM O=[N+]([O-])c1cc(/C=N/N=C2c3ccccc3-c3ccccc32)c([O-])c([N+](=O)[O-])c1 ZINC000002279295 203935420 /nfs/dbraw/zinc/93/54/20/203935420.db2.gz JUONMNNXFYMELB-SRZZPIQSSA-N -1 0 388.339 4.061 50 30 GIEARM CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccccc2C(=O)[O-])cc1 ZINC000002706398 203956702 /nfs/dbraw/zinc/95/67/02/203956702.db2.gz BZEUSBPPZWVLJS-CIAFOILYSA-N -1 0 380.473 4.112 50 30 GIEARM CN1C(=O)/C(=C\c2ccc(O)c(Br)c2)S/C1=N/c1ccccc1 ZINC000004664289 204060333 /nfs/dbraw/zinc/06/03/33/204060333.db2.gz JZKVXGUDWNTXQW-RDNNIZOPSA-N -1 0 389.274 4.389 50 30 GIEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Br)cc1 ZINC000006166204 204168020 /nfs/dbraw/zinc/16/80/20/204168020.db2.gz DMGRFXJSGPCHCO-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM CCOc1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cc(Cl)c1O ZINC000007587113 204243971 /nfs/dbraw/zinc/24/39/71/204243971.db2.gz QEBCZGJFORHNRL-ZROIWOOFSA-N -1 0 397.814 4.187 50 30 GIEARM COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1CSCC(=O)[O-] ZINC000007913189 204255715 /nfs/dbraw/zinc/25/57/15/204255715.db2.gz DAPWRKNYGKXOOF-ZZXKWVIFSA-N -1 0 378.396 4.187 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744080 204287608 /nfs/dbraw/zinc/28/76/08/204287608.db2.gz TZCGCHWXLVDELK-IBGZPJMESA-N -1 0 392.411 4.482 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(F)cc1 ZINC000008386889 204273837 /nfs/dbraw/zinc/27/38/37/204273837.db2.gz NXENZVNBHBNCGG-HKOYGPOVSA-N -1 0 393.447 4.448 50 30 GIEARM CCOc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000018167188 204616627 /nfs/dbraw/zinc/61/66/27/204616627.db2.gz WNHKUMBTQSHFFL-LVWGJNHUSA-N -1 0 384.439 4.304 50 30 GIEARM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000038796649 205038480 /nfs/dbraw/zinc/03/84/80/205038480.db2.gz SQFNJPNKSVNGTB-UHFFFAOYSA-N -1 0 396.855 4.243 50 30 GIEARM N#Cc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1 ZINC000040286764 205060803 /nfs/dbraw/zinc/06/08/03/205060803.db2.gz XMAHNCSCQVOOLL-MRXNPFEDSA-N -1 0 375.359 4.310 50 30 GIEARM C/C(=N\CCc1ccccn1)c1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100370376 518456804 /nfs/dbraw/zinc/45/68/04/518456804.db2.gz FRIKOHAUJKEPJA-KOEQRZSOSA-N -1 0 383.451 4.143 50 30 GIEARM CCN(CC)c1ccc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)c(O)c1 ZINC000005643990 520885794 /nfs/dbraw/zinc/88/57/94/520885794.db2.gz IMTXGVUKDBUVSV-CIAFOILYSA-N -1 0 385.468 4.181 50 30 GIEARM CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(Cl)c(C(=O)[O-])c1 ZINC000100260980 523675013 /nfs/dbraw/zinc/67/50/13/523675013.db2.gz HPKXWMNGSCGDBI-ROMCCWAQSA-N -1 0 378.862 4.334 50 30 GIEARM Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(F)cc2)n1 ZINC000102494506 524530912 /nfs/dbraw/zinc/53/09/12/524530912.db2.gz OIKKRNXCJCJJHI-GHNGSUTGSA-N -1 0 394.427 4.217 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000017888693 526271440 /nfs/dbraw/zinc/27/14/40/526271440.db2.gz QHSLSHKPVHUUOP-INIZCTEOSA-N -1 0 380.400 4.065 50 30 GIEARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)/C(=N/c2ccc(F)cc2)S1 ZINC000013552290 526317024 /nfs/dbraw/zinc/31/70/24/526317024.db2.gz ILMPJKSFCKNTQC-XAIYEJPOSA-N -1 0 392.839 4.086 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2Oc2ccccc2)n1 ZINC000006607498 526426226 /nfs/dbraw/zinc/42/62/26/526426226.db2.gz CNSRLJDXKDMUGT-QGZVFWFLSA-N -1 0 392.436 4.277 50 30 GIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(Br)c2)cc1 ZINC000001473642 570264127 /nfs/dbraw/zinc/26/41/27/570264127.db2.gz DKOVRJBLXCUCGF-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM C=C(C)CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2o1 ZINC000025446412 570304492 /nfs/dbraw/zinc/30/44/92/570304492.db2.gz GZJMHZMRKFBVLM-UHFFFAOYSA-N -1 0 390.486 4.305 50 30 GIEARM O=C1c2ccccc2S/C1=C\c1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000000755219 570316870 /nfs/dbraw/zinc/31/68/70/570316870.db2.gz KIWQUYRHOBOFNP-MLPAPPSSSA-N -1 0 378.203 4.392 50 30 GIEARM O=C(NC([N-]c1ccccc1F)(C(F)(F)F)C(F)(F)F)c1ccccc1 ZINC000003138647 570330716 /nfs/dbraw/zinc/33/07/16/570330716.db2.gz OKFVJCOOWZYKMJ-UHFFFAOYSA-N -1 0 380.263 4.489 50 30 GIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(SC(F)(F)F)cc1 ZINC000100497670 570373063 /nfs/dbraw/zinc/37/30/63/570373063.db2.gz IKGJSABZHRYXAD-PXLXIMEGSA-N -1 0 378.379 4.489 50 30 GIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(CCC)cc3)cc2[n-]c1=S ZINC000011870183 570441824 /nfs/dbraw/zinc/44/18/24/570441824.db2.gz UMPNDVWUISUFOI-UHFFFAOYSA-N -1 0 379.485 4.450 50 30 GIEARM COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OC(=O)c1ccccc1 ZINC000011905644 570446001 /nfs/dbraw/zinc/44/60/01/570446001.db2.gz BKHKVACJRKHCJB-OEAKJJBVSA-N -1 0 390.395 4.059 50 30 GIEARM CCn1c2ccccc2c2cc(C=Nc3cccc4c(=O)[nH][n-]c(=O)c34)ccc21 ZINC000252460435 570474173 /nfs/dbraw/zinc/47/41/73/570474173.db2.gz FJISGXWBKVGXLR-UHFFFAOYSA-N -1 0 382.423 4.095 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)no1 ZINC000005884053 570801099 /nfs/dbraw/zinc/80/10/99/570801099.db2.gz JZYVVQJSORNNFU-IBGZPJMESA-N -1 0 392.386 4.213 50 30 GIEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(SC)cc3)no2)c1=O ZINC000101725278 570831316 /nfs/dbraw/zinc/83/13/16/570831316.db2.gz VLGIESPEXJOJBJ-UHFFFAOYSA-N -1 0 391.452 4.332 50 30 GIEARM CCOC(=O)CCc1c(C)nc(SCc2ccc(C(=O)[O-])cc2)c(C#N)c1C ZINC000000804075 203855156 /nfs/dbraw/zinc/85/51/56/203855156.db2.gz OJOOEMUFFVCHAC-UHFFFAOYSA-N -1 0 398.484 4.056 50 30 GIEARM CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000004155224 204029989 /nfs/dbraw/zinc/02/99/89/204029989.db2.gz QPLLVENXOUMKGH-SNPRPXQTSA-N -1 0 386.517 4.376 50 30 GIEARM Cc1ccc(N=Nc2c(-c3ccccc3)[n-]n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] ZINC000004714110 204067658 /nfs/dbraw/zinc/06/76/58/204067658.db2.gz JOPKRIZOFYELKG-FLFQWRMESA-N -1 0 399.410 4.122 50 30 GIEARM COc1ccc(C(N=Nc2ccccc2C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000004646496 204059519 /nfs/dbraw/zinc/05/95/19/204059519.db2.gz UCMMLUOVWVNVDJ-UHFFFAOYSA-N -1 0 376.412 4.267 50 30 GIEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005704409 204147392 /nfs/dbraw/zinc/14/73/92/204147392.db2.gz CVHXFTJUSAWTBD-GIJQJNRQSA-N -1 0 389.824 4.060 50 30 GIEARM Cc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000006188957 204169646 /nfs/dbraw/zinc/16/96/46/204169646.db2.gz WURLKLSPCJILGB-FRKPEAEDSA-N -1 0 380.154 4.030 50 30 GIEARM COc1ccc(-c2cc(-c3ccc(Br)cc3)[n-]c(=O)c2C#N)cc1 ZINC000006304160 206219585 /nfs/dbraw/zinc/21/95/85/206219585.db2.gz SDMYLBXLBOGBPJ-UHFFFAOYSA-N -1 0 381.229 4.352 50 30 GIEARM COc1ccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)cc1C(=O)[O-] ZINC000328593285 533420650 /nfs/dbraw/zinc/42/06/50/533420650.db2.gz VYDSUABBKAFBKM-HNNXBMFYSA-N -1 0 382.416 4.091 50 30 GIEARM COc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H]2CCCc3ccccc32)c1 ZINC000097002734 533826357 /nfs/dbraw/zinc/82/63/57/533826357.db2.gz KXCYAMLUGJYFNU-HNNXBMFYSA-N -1 0 379.865 4.114 50 30 GIEARM C=CCOc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000002700524 519066297 /nfs/dbraw/zinc/06/62/97/519066297.db2.gz TZTHMMYDPNOUBY-SSZFMOIBSA-N -1 0 391.514 4.098 50 30 GIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(Br)c(Cl)c1 ZINC000100375869 520897233 /nfs/dbraw/zinc/89/72/33/520897233.db2.gz MVWDGVCZAOQWIH-HMMYKYKNSA-N -1 0 391.656 4.293 50 30 GIEARM CCOc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000101932111 521031481 /nfs/dbraw/zinc/03/14/81/521031481.db2.gz ALNXKXMCKSCYKZ-YYDJUVGSSA-N -1 0 384.439 4.304 50 30 GIEARM CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C(=O)[O-])c2)N(CC)C1=O ZINC000100310808 521448818 /nfs/dbraw/zinc/44/88/18/521448818.db2.gz ZAFIEIKXNMZNOF-VJGKAAADSA-N -1 0 396.468 4.407 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102803610 525048106 /nfs/dbraw/zinc/04/81/06/525048106.db2.gz SBOGDRNDVZUSAU-GHNGSUTGSA-N -1 0 394.814 4.263 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102804259 525048290 /nfs/dbraw/zinc/04/82/90/525048290.db2.gz MCHLJGVKZDHIMD-GROYHEBESA-N -1 0 398.802 4.164 50 30 GIEARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(=O)/C=C\c3ccccc3)c1)C2=O ZINC000033388095 526384646 /nfs/dbraw/zinc/38/46/46/526384646.db2.gz WWLJELVLPFLQSG-XFXZXTDPSA-N -1 0 397.386 4.082 50 30 GIEARM O=C(/C=C\c1cc(Br)cc2c1OCOC2)c1cc(F)ccc1[O-] ZINC000034262913 527653504 /nfs/dbraw/zinc/65/35/04/527653504.db2.gz IIDDKBUOXVHKMY-IWQZZHSRSA-N -1 0 379.181 4.056 50 30 GIEARM CSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(C)c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000000702482 570218520 /nfs/dbraw/zinc/21/85/20/570218520.db2.gz BHYJUYAFTVQZKI-OAHLLOKOSA-N -1 0 381.501 4.001 50 30 GIEARM C=CCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000002113783 570252677 /nfs/dbraw/zinc/25/26/77/570252677.db2.gz MHEVBUWRBHZQBI-KRWDZBQOSA-N -1 0 392.440 4.018 50 30 GIEARM CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc([N+](=O)[O-])c2)c1 ZINC000002399549 570285996 /nfs/dbraw/zinc/28/59/96/570285996.db2.gz SBHGHNHQBGNJBL-YBFXNURJSA-N -1 0 383.433 4.185 50 30 GIEARM C=CCN(c1ccccc1Cl)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003228209 570288592 /nfs/dbraw/zinc/28/85/92/570288592.db2.gz SQTPYGXPLLJJCT-UHFFFAOYSA-N -1 0 386.256 4.073 50 30 GIEARM C=CCn1c(SCC(=O)[O-])nnc1[C@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000026468984 570306651 /nfs/dbraw/zinc/30/66/51/570306651.db2.gz BBVLYJZPBAKGSI-HNNXBMFYSA-N -1 0 395.484 4.448 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000100547234 570389722 /nfs/dbraw/zinc/38/97/22/570389722.db2.gz OHFPJFDKCJZTDM-WOJBJXKFSA-N -1 0 376.847 4.121 50 30 GIEARM C/C(=N\c1cccc2ccc(S(=O)(=O)[O-])cc21)c1cc2ccccc2oc1=O ZINC000004701601 570395091 /nfs/dbraw/zinc/39/50/91/570395091.db2.gz YMGPJAOQWFTPDX-LPYMAVHISA-N -1 0 393.420 4.334 50 30 GIEARM Cc1cc(C)nc(C(C#N)=C([O-])c2nn(-c3ccccc3)c3c2CCCCC3)n1 ZINC000126351645 570454948 /nfs/dbraw/zinc/45/49/48/570454948.db2.gz IPWKTLCWVGMGPU-LJQANCHMSA-N -1 0 385.471 4.038 50 30 GIEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3cccc(OCC)c3)no2)c1=O ZINC000101725261 570831390 /nfs/dbraw/zinc/83/13/90/570831390.db2.gz DOWQVZUCBNSTFD-UHFFFAOYSA-N -1 0 389.411 4.009 50 30 GIEARM CC[C@@H](C)[NH+]=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000108439497 570989040 /nfs/dbraw/zinc/98/90/40/570989040.db2.gz GISAQIXBQRRWCH-DKUHFHLGSA-N -1 0 382.411 4.402 50 30 GIEARM COC(=O)c1c(/N=C/c2cc(Cl)cc(Cl)c2[O-])sc2c1CCN(C)C2 ZINC000002292712 817383122 /nfs/dbraw/zinc/38/31/22/817383122.db2.gz CTJSHNDZOQABEZ-IFRROFPPSA-N -1 0 399.299 4.286 50 30 GIEARM COc1ccc(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)cc1CN1CCCCC1 ZINC000012808238 818183429 /nfs/dbraw/zinc/18/34/29/818183429.db2.gz XVVSRUCPXQIJCG-YRNVUSSQSA-N -1 0 379.456 4.275 50 30 GIEARM Cc1csc(C(C#N)=C([O-])c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 ZINC000097001602 231002276 /nfs/dbraw/zinc/00/22/76/231002276.db2.gz CEPMXUWESVAOSF-NSHDSACASA-N -1 0 378.335 4.010 50 30 GIEARM COC(=O)c1c(/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])sc2c1CCCC2 ZINC000000830502 203856979 /nfs/dbraw/zinc/85/69/79/203856979.db2.gz QKVILXHYHOPHMC-UFWORHAWSA-N -1 0 394.836 4.431 50 30 GIEARM COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C#N)cc1 ZINC000002794877 203963325 /nfs/dbraw/zinc/96/33/25/203963325.db2.gz RZEIRNPXDMZOMK-JKSUJKDBSA-N -1 0 396.468 4.209 50 30 GIEARM CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)[O-])[C@@H]2c1cccs1 ZINC000004741370 204072649 /nfs/dbraw/zinc/07/26/49/204072649.db2.gz NNKXSBRDPWZYRA-HXUWFJFHSA-N -1 0 382.485 4.449 50 30 GIEARM Cc1ccccc1N=Nc1c(-c2ccccc2)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000004677287 204063379 /nfs/dbraw/zinc/06/33/79/204063379.db2.gz FEIJZMBSLCOAFZ-FLFQWRMESA-N -1 0 399.410 4.122 50 30 GIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(Br)cc2)cc1 ZINC000005578665 204141690 /nfs/dbraw/zinc/14/16/90/204141690.db2.gz VPSQADVHEYIGFJ-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2)c(OC)c1 ZINC000006352780 204175705 /nfs/dbraw/zinc/17/57/05/204175705.db2.gz NRVPUHCHVDEJFH-KGENOOAVSA-N -1 0 381.505 4.345 50 30 GIEARM C[C@@H](C(=O)[O-])n1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c2ccccc21 ZINC000071760136 205292540 /nfs/dbraw/zinc/29/25/40/205292540.db2.gz MQYZTOOHVMILGF-ZDUSSCGKSA-N -1 0 398.422 4.175 50 30 GIEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@](Cl)(C(=O)OC)CCC1=O ZINC000100705359 519983106 /nfs/dbraw/zinc/98/31/06/519983106.db2.gz RWCAQFKEUFLKTP-XLIONFOSSA-N -1 0 386.916 4.175 50 30 GIEARM CCC(=O)[N-]C(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F ZINC000100229420 521171562 /nfs/dbraw/zinc/17/15/62/521171562.db2.gz ODOFYPRVKSLVEI-UHFFFAOYSA-N -1 0 382.226 4.464 50 30 GIEARM COc1cccc(/N=C2/N=C([O-])S/C2=C\c2cc3ccccc3n(C)c2=O)c1 ZINC000072401517 525777142 /nfs/dbraw/zinc/77/71/42/525777142.db2.gz HPXBZPFGAWLXGA-WQRHYEAKSA-N -1 0 391.452 4.279 50 30 GIEARM O=C([O-])/C=C\C(=O)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000033608097 527548878 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O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000104197981 570897941 /nfs/dbraw/zinc/89/79/41/570897941.db2.gz SNEHGHGYMDUGQA-UYTDBDHRSA-N -1 0 398.390 4.048 50 30 GIEARM Oc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1F ZINC000001276206 570947138 /nfs/dbraw/zinc/94/71/38/570947138.db2.gz XEUSPJLZEVLAFE-QGMBQPNBSA-N -1 0 393.241 4.097 50 30 GIEARM C=CCc1cccc(C=Nn2c(-c3cccc(OCC)c3)n[n-]c2=S)c1O ZINC000001238980 570947269 /nfs/dbraw/zinc/94/72/69/570947269.db2.gz XQACJWLTELTXCE-FYJGNVAPSA-N -1 0 380.473 4.323 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O1 ZINC000002646957 817395972 /nfs/dbraw/zinc/39/59/72/817395972.db2.gz XUMWQERUWBIJDL-PXPSOEEZSA-N -1 0 391.206 4.482 50 30 GIEARM O=C([O-])CCn1cc(/C=C\C(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2)n1 ZINC000004865630 817538533 /nfs/dbraw/zinc/53/85/33/817538533.db2.gz ORHGBHGBWRLGNP-YHYXMXQVSA-N -1 0 382.366 4.199 50 30 GIEARM COc1ccc(/C=N/Nc2nc(-c3cc4ccc([O-])cc4oc3=O)cs2)cc1 ZINC000004748807 204073270 /nfs/dbraw/zinc/07/32/70/204073270.db2.gz PQYNSSIVQDCLLB-UFFVCSGVSA-N -1 0 393.424 4.077 50 30 GIEARM COc1cc([N+](=O)[O-])cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1[O-] ZINC000004756415 204074837 /nfs/dbraw/zinc/07/48/37/204074837.db2.gz QFDRAVQYXJBMBF-LPYMAVHISA-N -1 0 391.383 4.312 50 30 GIEARM Cc1cc(N=NCc2ccc(Br)cc2)nc(-c2ccccc2[O-])n1 ZINC000004837351 204080206 /nfs/dbraw/zinc/08/02/06/204080206.db2.gz URKJIAHPNNBRCJ-RGVLZGJSSA-N -1 0 383.249 4.366 50 30 GIEARM O=C([O-])c1cccc(-n2cccc2/C=C2\S/C(=N/c3ccccc3)NC2=O)c1 ZINC000004687976 204064022 /nfs/dbraw/zinc/06/40/22/204064022.db2.gz VEPCJXHVLQGSAD-AQTBWJFISA-N -1 0 389.436 4.067 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(F)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000005819012 204152693 /nfs/dbraw/zinc/15/26/93/204152693.db2.gz PDHZKADGEVACCD-INIZCTEOSA-N -1 0 398.390 4.204 50 30 GIEARM CCOC(=O)c1sc(N=Cc2c(C)[n-]n(-c3ccccc3)c2=O)c(C#N)c1C ZINC000006547846 204182334 /nfs/dbraw/zinc/18/23/34/204182334.db2.gz DHYZWZYVJBCMRR-SSDVNMTOSA-N -1 0 394.456 4.055 50 30 GIEARM N#Cc1ccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)cc1 ZINC000065004402 205206586 /nfs/dbraw/zinc/20/65/86/205206586.db2.gz AMMOJADFTJZLQE-UHFFFAOYSA-N -1 0 385.470 4.343 50 30 GIEARM COc1ccc2[nH]c(=NN=Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])sc2c1 ZINC000067320705 205245288 /nfs/dbraw/zinc/24/52/88/205245288.db2.gz MVKIACAYHIQJOG-REZTVBANSA-N -1 0 378.797 4.018 50 30 GIEARM C#CCOc1c(Cl)cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc1OC ZINC000004680686 518316883 /nfs/dbraw/zinc/31/68/83/518316883.db2.gz WSNQSILQNCYMQY-CIAFOILYSA-N -1 0 398.875 4.164 50 30 GIEARM C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000013590118 518844536 /nfs/dbraw/zinc/84/45/36/518844536.db2.gz GMPMWBLDTHKKBD-KHOFPDMRSA-N -1 0 380.469 4.053 50 30 GIEARM CCCCCCCCCC(=O)[N-]S(=O)(=O)c1ccc(/N=N/N(C)C)cc1 ZINC000100087514 519977662 /nfs/dbraw/zinc/97/76/62/519977662.db2.gz ZAURZSFWBHNHMR-XUTLUUPISA-N -1 0 382.530 4.193 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1ccccc1Cl)C(C#N)C#N ZINC000101497120 520890754 /nfs/dbraw/zinc/89/07/54/520890754.db2.gz XBNBQHZZJCMRHC-VQTJNVASSA-N -1 0 376.847 4.121 50 30 GIEARM COc1cc([N+](=O)[O-])cc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1[O-] ZINC000102417382 522972864 /nfs/dbraw/zinc/97/28/64/522972864.db2.gz ROEYQSMKAWKEKD-SRZZPIQSSA-N -1 0 395.371 4.213 50 30 GIEARM Cc1n[n-]c(=S)n(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1=O ZINC000018192503 526481264 /nfs/dbraw/zinc/48/12/64/526481264.db2.gz VOZITHGWFDWCDX-CNHKJKLMSA-N -1 0 381.244 4.058 50 30 GIEARM O=[N+]([O-])c1ccc([O-])c(C=NNc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000036300190 527369967 /nfs/dbraw/zinc/36/99/67/527369967.db2.gz XSDBJAWXNHDIEZ-LSFURLLWSA-N -1 0 391.412 4.418 50 30 GIEARM Cc1cc([O-])c(C(=O)C2=CSc3nnc(-c4ccccc4)n3N=C2)cc1Cl ZINC000000988396 570233177 /nfs/dbraw/zinc/23/31/77/570233177.db2.gz QNCQHQNUBCXAGG-UHFFFAOYSA-N -1 0 396.859 4.319 50 30 GIEARM N#Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000016124933 570316933 /nfs/dbraw/zinc/31/69/33/570316933.db2.gz FEROTENZLIKBTE-UHFFFAOYSA-N -1 0 394.296 4.397 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000100547227 570389728 /nfs/dbraw/zinc/38/97/28/570389728.db2.gz OHFPJFDKCJZTDM-UXHICEINSA-N -1 0 376.847 4.121 50 30 GIEARM COc1cc(C=NNc2ccccc2C(=O)[O-])ccc1OCc1ccccc1 ZINC000011903704 570445640 /nfs/dbraw/zinc/44/56/40/570445640.db2.gz SLESQPKCDPJSKX-OEAKJJBVSA-N -1 0 376.412 4.418 50 30 GIEARM N#Cc1c(=O)[n-]c(SCc2ccc(Cl)cc2)nc1CCc1ccccc1 ZINC000001016890 570746350 /nfs/dbraw/zinc/74/63/50/570746350.db2.gz QTJQPINZJBICMF-UHFFFAOYSA-N -1 0 381.888 4.372 50 30 GIEARM N#Cc1c(=O)[n-]c(-c2cccc(Br)c2)cc1-c1ccc2c(c1)OCO2 ZINC000001026718 570747845 /nfs/dbraw/zinc/74/78/45/570747845.db2.gz SEVHHPODVKAUIW-UHFFFAOYSA-N -1 0 395.212 4.072 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000018203609 570809844 /nfs/dbraw/zinc/80/98/44/570809844.db2.gz GNNPBWSUBLXILD-IBGZPJMESA-N -1 0 392.386 4.213 50 30 GIEARM C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)SC1=S ZINC000004575511 570896890 /nfs/dbraw/zinc/89/68/90/570896890.db2.gz FOCOGUXQDJMJFG-YBEGLDIGSA-N -1 0 385.466 4.340 50 30 GIEARM Cc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000104214642 570897492 /nfs/dbraw/zinc/89/74/92/570897492.db2.gz BJCXXXANOUZDJN-HVESIFNPSA-N -1 0 394.427 4.217 50 30 GIEARM Cc1ccc(S(=O)([O-])=NC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000003257565 817428797 /nfs/dbraw/zinc/42/87/97/817428797.db2.gz PYRUYPJYCIFMBL-UHFFFAOYSA-N -1 0 392.786 4.382 50 30 GIEARM O=C([O-])c1ccc(-n2cccc2/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1 ZINC000004677046 204063076 /nfs/dbraw/zinc/06/30/76/204063076.db2.gz XNJADVUJNIJGCG-AQTBWJFISA-N -1 0 389.436 4.067 50 30 GIEARM O=C([O-])c1cccc(NC(=S)N/N=C/c2cccc(Oc3ccccc3)c2)c1 ZINC000005130396 204114068 /nfs/dbraw/zinc/11/40/68/204114068.db2.gz JLXCEKQDQBGWHO-HYARGMPZSA-N -1 0 391.452 4.498 50 30 GIEARM O=C1/C(=N\[O-])c2ccccc2N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005770839 204151081 /nfs/dbraw/zinc/15/10/81/204151081.db2.gz HXQBGUZUYLSCJN-OYKKKHCWSA-N -1 0 388.267 4.449 50 30 GIEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000038167839 205036514 /nfs/dbraw/zinc/03/65/14/205036514.db2.gz OLUGZYSLQLOETM-FRKPEAEDSA-N -1 0 393.222 4.119 50 30 GIEARM COc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1C(=O)[O-] ZINC000328593286 533419948 /nfs/dbraw/zinc/41/99/48/533419948.db2.gz VYDSUABBKAFBKM-OAHLLOKOSA-N -1 0 382.416 4.091 50 30 GIEARM C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4oc(=S)[n-]c4c3)n2)C1 ZINC000328592668 533696180 /nfs/dbraw/zinc/69/61/80/533696180.db2.gz YYJVNEIBSJUNIW-LLVKDONJSA-N -1 0 388.518 4.441 50 30 GIEARM CC(=NC(=N)Nc1nc(C)c2cc(C)c(C)cc2n1)c1ccccc1C(=O)[O-] ZINC000033889309 518456565 /nfs/dbraw/zinc/45/65/65/518456565.db2.gz JOZGGLJJTCPDKM-YDZHTSKRSA-N -1 0 375.432 4.109 50 30 GIEARM C=CCOc1c(Br)cc(CNc2ccc(C(=O)[O-])cc2)cc1OC ZINC000002860627 519003562 /nfs/dbraw/zinc/00/35/62/519003562.db2.gz ZEFBWXFNXCQMCE-UHFFFAOYSA-N -1 0 392.249 4.333 50 30 GIEARM COc1cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-] ZINC000008322840 522049837 /nfs/dbraw/zinc/04/98/37/522049837.db2.gz GEVLVMAQECUOGF-ZZXKWVIFSA-N -1 0 381.211 4.362 50 30 GIEARM O=C([O-])c1cc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)ccc1Cl ZINC000013154414 526342259 /nfs/dbraw/zinc/34/22/59/526342259.db2.gz OWKUHKATGLRDHZ-AWQFTUOYSA-N -1 0 386.751 4.047 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc3ccccc3c2)n1 ZINC000006606132 526426341 /nfs/dbraw/zinc/42/63/41/526426341.db2.gz VONURMPBAJIFCU-QGZVFWFLSA-N -1 0 396.493 4.117 50 30 GIEARM CCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccn2)c1=O ZINC000002390849 570285545 /nfs/dbraw/zinc/28/55/45/570285545.db2.gz HVDASPIVRKFCQK-UHFFFAOYSA-N -1 0 379.460 4.325 50 30 GIEARM C=CCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000001857152 570437572 /nfs/dbraw/zinc/43/75/72/570437572.db2.gz UDMJLTUKEOKBAC-SSZFMOIBSA-N -1 0 391.514 4.098 50 30 GIEARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000100552404 570513513 /nfs/dbraw/zinc/51/35/13/570513513.db2.gz VSMKFIJOQLDHTG-YBEGLDIGSA-N -1 0 382.876 4.480 50 30 GIEARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1 ZINC000012652595 570695527 /nfs/dbraw/zinc/69/55/27/570695527.db2.gz ZUQORNFFLPDYLV-OAQYLSRUSA-N -1 0 396.468 4.120 50 30 GIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000101231760 570817053 /nfs/dbraw/zinc/81/70/53/570817053.db2.gz IUIRWKDGIWMWKB-GROYHEBESA-N -1 0 398.256 4.057 50 30 GIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 ZINC000104180330 570897097 /nfs/dbraw/zinc/89/70/97/570897097.db2.gz VBVZVUZQNRQAJG-HVESIFNPSA-N -1 0 394.427 4.217 50 30 GIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@H]2c2ccc(F)cc2)cc1 ZINC000017045314 570938199 /nfs/dbraw/zinc/93/81/99/570938199.db2.gz DCDRWALIAGTXEH-KRWDZBQOSA-N -1 0 394.427 4.374 50 30 GIEARM C=C(C)COc1ccc([C@H](CC(=O)OC)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000218015443 222584690 /nfs/dbraw/zinc/58/46/90/222584690.db2.gz ZTUJWYKXDJUDEW-SFHVURJKSA-N 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GIEARM CCOc1cc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)ccc1O ZINC000002366209 520643779 /nfs/dbraw/zinc/64/37/79/520643779.db2.gz MPOKWPHPZJRHPU-CIAFOILYSA-N -1 0 398.488 4.381 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Oc3ccc(Cl)cc3)c2)C(=O)O1 ZINC000021711913 520852975 /nfs/dbraw/zinc/85/29/75/520852975.db2.gz JYOVKCVPTGAKEF-JOCSGSGBSA-N -1 0 382.799 4.361 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000018116821 520899428 /nfs/dbraw/zinc/89/94/28/520899428.db2.gz AZSUBMZRCDHZOD-NKFKGCMQSA-N -1 0 375.457 4.309 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000102803608 525046313 /nfs/dbraw/zinc/04/63/13/525046313.db2.gz SBOGDRNDVZUSAU-SELCWUDQSA-N -1 0 394.814 4.263 50 30 GIEARM O=C(Nc1cccnc1)/C(=C\c1ccc([O-])c(Cl)c1)C(=O)c1ccccc1 ZINC000098055430 527440995 /nfs/dbraw/zinc/44/09/95/527440995.db2.gz IFNJJKIHGZXJDU-BOPFTXTBSA-N -1 0 378.815 4.346 50 30 GIEARM CN(C)c1ccc(/C=N/N=c2\nc(-c3ccccc3)c(-c3ccccc3)n[n-]2)cc1 ZINC000004713857 570397019 /nfs/dbraw/zinc/39/70/19/570397019.db2.gz AHKSURPWEVRCAQ-KOEQRZSOSA-N -1 0 394.482 4.140 50 30 GIEARM C[C@@H]1CCc2c(C#N)c(NC(=O)C[C@H](C(=O)[O-])c3ccc(F)cc3)sc2C1 ZINC000012727988 570972444 /nfs/dbraw/zinc/97/24/44/570972444.db2.gz FGOGGVGAZLLZQN-ABAIWWIYSA-N -1 0 386.448 4.081 50 30 GIEARM Cc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(-c2ccccc2)c1=O ZINC000252598469 571003812 /nfs/dbraw/zinc/00/38/12/571003812.db2.gz DBFKEZZPTLMYAW-UHFFFAOYSA-N -1 0 399.410 4.122 50 30 GIEARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(C#N)cc2)CC(=O)N3)cc1 ZINC000040284036 821155822 /nfs/dbraw/zinc/15/58/22/821155822.db2.gz KFCKVNAXCOHPNR-QGZVFWFLSA-N -1 0 387.395 4.179 50 30 GIEARM CCC(=O)NC([N-]c1sc(C)c(CC)c1C#N)(C(F)(F)F)C(F)(F)F ZINC000000721276 206318984 /nfs/dbraw/zinc/31/89/84/206318984.db2.gz MRIOQTCQPZYNLZ-UHFFFAOYSA-N -1 0 387.349 4.250 50 30 GIEARM Cc1ccccc1-c1n[n-]c(=S)n1N=Cc1cc(Br)ccc1O ZINC000001240576 206370582 /nfs/dbraw/zinc/37/05/82/206370582.db2.gz CERZKKCJQMHQHE-GIJQJNRQSA-N 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CN(/N=C1\CCCc2occ(C(=O)[O-])c21)c1ncc(Cl)cc1C(F)(F)F ZINC000004389877 570373174 /nfs/dbraw/zinc/37/31/74/570373174.db2.gz APYLFPTZCHTVDN-SSDVNMTOSA-N -1 0 387.745 4.222 50 30 GIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c(O)c1 ZINC000005694973 570451755 /nfs/dbraw/zinc/45/17/55/570451755.db2.gz XFZLAQRKKONWHG-FYJGNVAPSA-N -1 0 381.505 4.350 50 30 GIEARM COc1cc(/C=C2\CSc3ccc(Cl)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000028621535 570462172 /nfs/dbraw/zinc/46/21/72/570462172.db2.gz SZGPENHWHOQUFZ-ONNFQVAWSA-N -1 0 377.805 4.334 50 30 GIEARM COc1c(Cl)cccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000006180422 570470999 /nfs/dbraw/zinc/47/09/99/570470999.db2.gz GACHZLTYLQHOKB-REZTVBANSA-N -1 0 385.601 4.476 50 30 GIEARM CCOc1ccccc1/C=C1\SC(=Nc2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000252643560 570479757 /nfs/dbraw/zinc/47/97/57/570479757.db2.gz ZWAYCVWJWNOSMT-VTPWGRHDSA-N -1 0 382.441 4.017 50 30 GIEARM Cc1noc(-c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C#N)cc2)c1C ZINC000064845819 570565448 /nfs/dbraw/zinc/56/54/48/570565448.db2.gz WVWHSGWWRVHJNL-UHFFFAOYSA-N -1 0 387.486 4.309 50 30 GIEARM Cc1cc(NN=Cc2c(F)c(F)c(F)c(F)c2F)nc(-c2ccccc2[O-])n1 ZINC000004957725 570646926 /nfs/dbraw/zinc/64/69/26/570646926.db2.gz QADDWGAXLDIPKQ-HCBMXOAHSA-N -1 0 394.303 4.299 50 30 GIEARM CCCCCCCn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21 ZINC000148637365 570694521 /nfs/dbraw/zinc/69/45/21/570694521.db2.gz MHCCJPOSGQNASO-UHFFFAOYSA-N -1 0 385.489 4.386 50 30 GIEARM Cc1c2ccc(C(F)(F)F)nc2sc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000103608428 570887794 /nfs/dbraw/zinc/88/77/94/570887794.db2.gz GFGGZIAONOSJIH-LBPRGKRZSA-N -1 0 395.406 4.005 50 30 GIEARM N#Cc1c(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)sc2c1CCCCC2 ZINC000012729151 570973207 /nfs/dbraw/zinc/97/32/07/570973207.db2.gz JWWWBCHYHFUUMS-OAHLLOKOSA-N -1 0 386.448 4.225 50 30 GIEARM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2nc3ccccc3s2)cc1 ZINC000001123135 817374923 /nfs/dbraw/zinc/37/49/23/817374923.db2.gz MVPDHUMZJWGNIU-UHFFFAOYSA-N -1 0 378.500 4.042 50 30 GIEARM COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C#N)cc1 ZINC000002730210 817399029 /nfs/dbraw/zinc/39/90/29/817399029.db2.gz DQAASANCZGVMLL-HZPDHXFCSA-N -1 0 398.484 4.433 50 30 GIEARM Cc1c(C=Cc2ccc(-c3ccc(Br)cc3)o2)n[n-]c(=O)c1C#N ZINC000007324866 817818165 /nfs/dbraw/zinc/81/81/65/817818165.db2.gz LVERFDQKWWIXQA-SOFGYWHQSA-N -1 0 382.217 4.143 50 30 GIEARM N#Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000057690674 823322062 /nfs/dbraw/zinc/32/20/62/823322062.db2.gz VHWLALRSGZAENY-UHFFFAOYSA-N -1 0 375.862 4.136 50 30 GIEARM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000040089599 821135030 /nfs/dbraw/zinc/13/50/30/821135030.db2.gz OBQKBUDHOCUBEY-PWSUYJOCSA-N -1 0 379.466 4.219 50 30 GIEARM COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)[O-])c2C#N)cc1 ZINC000000712192 206319032 /nfs/dbraw/zinc/31/90/32/206319032.db2.gz LBQWBYYTMGYKKS-UHFFFAOYSA-N -1 0 376.437 4.473 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)C(C#N)C#N ZINC000000848857 206327408 /nfs/dbraw/zinc/32/74/08/206327408.db2.gz OHFPJFDKCJZTDM-VQTJNVASSA-N -1 0 376.847 4.121 50 30 GIEARM COC(=O)c1ccccc1-n1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2)c1C ZINC000001098494 206352626 /nfs/dbraw/zinc/35/26/26/206352626.db2.gz RTNCWMBGYRAAKS-YDZHTSKRSA-N -1 0 376.412 4.330 50 30 GIEARM CCN1C(=O)/C(=C\c2cccc(OC)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000004682165 206541280 /nfs/dbraw/zinc/54/12/80/206541280.db2.gz PRLXAJAUPAFILS-MSYUKONTSA-N -1 0 382.441 4.017 50 30 GIEARM O=C([O-])COc1ccc(Br)cc1/C=C1\Sc2ccccc2C1=O ZINC000005648186 206623463 /nfs/dbraw/zinc/62/34/63/206623463.db2.gz LSOHMUFPOTXAJF-NVNXTCNLSA-N -1 0 391.242 4.242 50 30 GIEARM N#Cc1ccccc1CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[n-]1 ZINC000031773904 207386798 /nfs/dbraw/zinc/38/67/98/207386798.db2.gz UPGOGMBTEJSJAE-UHFFFAOYSA-N -1 0 378.844 4.126 50 30 GIEARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000100148478 208371417 /nfs/dbraw/zinc/37/14/17/208371417.db2.gz PBOVVOGJFCDMCH-GZTJUZNOSA-N -1 0 380.448 4.356 50 30 GIEARM CCCOc1ccc(/C=N/c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000004062816 520322522 /nfs/dbraw/zinc/32/25/22/520322522.db2.gz PIPVGFCNYNRMSL-XQNSMLJCSA-N -1 0 395.484 4.422 50 30 GIEARM COc1cc2c(cc1OC)C(=O)/C(=C\c1ccc(-c3ccccc3C(=O)[O-])o1)C2 ZINC000085876462 523022281 /nfs/dbraw/zinc/02/22/81/523022281.db2.gz DFIUVSLQXVAGDF-UVTDQMKNSA-N -1 0 390.391 4.484 50 30 GIEARM COc1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)cc1OC ZINC000016995593 523456145 /nfs/dbraw/zinc/45/61/45/523456145.db2.gz YIQYYOUDEHOOOT-CIAFOILYSA-N -1 0 398.488 4.294 50 30 GIEARM COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000003129898 523909141 /nfs/dbraw/zinc/90/91/41/523909141.db2.gz FOSDDCZISGKMLB-LVGSUZFTSA-N -1 0 391.254 4.384 50 30 GIEARM C[C@@H](Oc1ccc(C(=O)/C=C\c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000033466817 525922618 /nfs/dbraw/zinc/92/26/18/525922618.db2.gz WVJONGWPMYKBRJ-CSXHZRMWSA-N -1 0 375.218 4.197 50 30 GIEARM O=C([O-])c1cccc(-n2cccc2/C=C2/S/C(=N/c3ccccc3)NC2=O)c1 ZINC000015013476 526387364 /nfs/dbraw/zinc/38/73/64/526387364.db2.gz VEPCJXHVLQGSAD-QGOAFFKASA-N -1 0 389.436 4.067 50 30 GIEARM O=[N+]([O-])c1cccc(-c2ccc(C=NNc3nnc4c5ccccc5nc-4[n-]3)o2)c1 ZINC000004195041 527381243 /nfs/dbraw/zinc/38/12/43/527381243.db2.gz QICQBGHRFUCTCQ-SRZZPIQSSA-N -1 0 399.370 4.120 50 30 GIEARM C/C(=N/Nc1nc(-c2sccc2Cl)cs1)c1c([O-])cc(C)oc1=O ZINC000100333136 527537113 /nfs/dbraw/zinc/53/71/13/527537113.db2.gz ABJDKUOQXCCWKB-LSCVHKIXSA-N -1 0 381.866 4.328 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccccc2F)no1 ZINC000006413047 570405455 /nfs/dbraw/zinc/40/54/55/570405455.db2.gz WYWMRGCVHBJYLY-IBGZPJMESA-N -1 0 392.386 4.213 50 30 GIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2cccc(Br)c2)c1 ZINC000005932611 570500853 /nfs/dbraw/zinc/50/08/53/570500853.db2.gz JAEHTRDKQDCFGP-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM O=[N+]([O-])c1cc(Cl)cc(C=NNc2nc3c(cccc3Cl)s2)c1[O-] ZINC000041091629 570615092 /nfs/dbraw/zinc/61/50/92/570615092.db2.gz JQXXGWOVPKAASV-UBKPWBPPSA-N -1 0 383.216 4.085 50 30 GIEARM CCN1C(=O)/C(=C\c2ccccc2OC)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000004677321 570823546 /nfs/dbraw/zinc/82/35/46/570823546.db2.gz VQPKCKYHHVTWJN-MSYUKONTSA-N -1 0 382.441 4.017 50 30 GIEARM N#Cc1c(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)sc2c1CCCCC2 ZINC000012729147 570973271 /nfs/dbraw/zinc/97/32/71/570973271.db2.gz JWWWBCHYHFUUMS-HNNXBMFYSA-N -1 0 386.448 4.225 50 30 GIEARM CCOc1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000252589643 570997585 /nfs/dbraw/zinc/99/75/85/570997585.db2.gz ALNXKXMCKSCYKZ-UHFFFAOYSA-N -1 0 384.439 4.304 50 30 GIEARM CCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O ZINC000002390837 817386785 /nfs/dbraw/zinc/38/67/85/817386785.db2.gz BHWZTYXAIVRPGR-UHFFFAOYSA-N -1 0 379.460 4.325 50 30 GIEARM Cc1c(Cl)cccc1-n1cc(C(=O)c2cc(Cl)ccc2[O-])cc(C#N)c1=O ZINC000003252333 817428190 /nfs/dbraw/zinc/42/81/90/817428190.db2.gz FZUCPNKBGWYUSM-UHFFFAOYSA-N -1 0 399.233 4.261 50 30 GIEARM CCOc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccco3)c(C#N)c(=O)[n-]2)cc1 ZINC000006907934 817723411 /nfs/dbraw/zinc/72/34/11/817723411.db2.gz WSZPRRVMLFXTOA-LBPRGKRZSA-N -1 0 395.440 4.076 50 30 GIEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)c1 ZINC000020330127 818618936 /nfs/dbraw/zinc/61/89/36/818618936.db2.gz BWOXFNCOYASJSA-HXUWFJFHSA-N -1 0 399.402 4.168 50 30 GIEARM C=CCn1c(SCC(=O)[O-])nnc1[C@@H](C)Oc1ccc(-c2ccccc2)cc1 ZINC000026468975 206253566 /nfs/dbraw/zinc/25/35/66/206253566.db2.gz BBVLYJZPBAKGSI-OAHLLOKOSA-N -1 0 395.484 4.448 50 30 GIEARM O=C1C(=O)N(c2ccccn2)[C@@H](c2cccc(Cl)c2)C1=C([O-])c1ccco1 ZINC000009763893 206376577 /nfs/dbraw/zinc/37/65/77/206376577.db2.gz DYBLFRVNGCHVKU-KRWDZBQOSA-N -1 0 380.787 4.111 50 30 GIEARM Cc1ccc(/N=C2\S/C(=C\c3cccc(OCC(=O)[O-])c3)C(=O)N2C)cc1C ZINC000004680425 206541833 /nfs/dbraw/zinc/54/18/33/206541833.db2.gz AAWISVHBBZUSAK-ZSMCLDEPSA-N -1 0 396.468 4.001 50 30 GIEARM CN(C)N=Nc1ccc(S(=O)(=O)[N-]C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004784894 206555427 /nfs/dbraw/zinc/55/54/27/206555427.db2.gz OATROLZQCNQPHY-LSDHQDQOSA-N -1 0 390.509 4.109 50 30 GIEARM C=CCOc1c(Br)cc(CNc2cccc(C(=O)[O-])c2)cc1OC ZINC000004661527 519003865 /nfs/dbraw/zinc/00/38/65/519003865.db2.gz SSEPQNPLCUERPN-UHFFFAOYSA-N -1 0 392.249 4.333 50 30 GIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102874557 523787883 /nfs/dbraw/zinc/78/78/83/523787883.db2.gz NZCSUTDUEAEMHD-MRJHHRETSA-N -1 0 393.483 4.187 50 30 GIEARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(/C=C\C(=O)c3ccccc3)cc1)C2=O ZINC000033388096 526384895 /nfs/dbraw/zinc/38/48/95/526384895.db2.gz KLXAQNORHSCOFZ-JYRVWZFOSA-N -1 0 397.386 4.082 50 30 GIEARM C=CCN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])SC1=S ZINC000012343655 570237170 /nfs/dbraw/zinc/23/71/70/570237170.db2.gz VBPMICJZCIBTOD-BJMVGYQFSA-N -1 0 390.711 4.195 50 30 GIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(SC)c3)cc2[n-]c1=S ZINC000012632943 570238090 /nfs/dbraw/zinc/23/80/90/570238090.db2.gz ZKNNQZTZOYGXGG-UHFFFAOYSA-N -1 0 383.498 4.219 50 30 GIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc2c(cc1C#N)CCCCC2 ZINC000136955627 570415165 /nfs/dbraw/zinc/41/51/65/570415165.db2.gz UNRWKEKEINXYOU-LJQANCHMSA-N -1 0 376.485 4.106 50 30 GIEARM O=C1c2cccc3c2C(=C([O-])C1c1ccccc1)C(=O)N(c1ccccc1)C3=O ZINC000005409265 570438331 /nfs/dbraw/zinc/43/83/31/570438331.db2.gz QJTQUMJRAOPILK-UHFFFAOYSA-N -1 0 381.387 4.319 50 30 GIEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000005704405 570500471 /nfs/dbraw/zinc/50/04/71/570500471.db2.gz IPIYSEOOFIFQNE-GIJQJNRQSA-N -1 0 389.824 4.060 50 30 GIEARM O=C(Nc1ccc(F)c(Cl)c1)c1c(C(F)(F)F)n[n-]c1C(F)(F)F ZINC000072306821 570524510 /nfs/dbraw/zinc/52/45/10/570524510.db2.gz BAFOLFXYGIWXNK-UHFFFAOYSA-N -1 0 375.631 4.492 50 30 GIEARM COc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cc1Cl ZINC000003066554 570534028 /nfs/dbraw/zinc/53/40/28/570534028.db2.gz XUIJPXOOMBLTGA-REZTVBANSA-N -1 0 385.601 4.476 50 30 GIEARM CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100944397 570781597 /nfs/dbraw/zinc/78/15/97/570781597.db2.gz WSXQULLQWIVCAR-BTZNOAQDSA-N -1 0 383.473 4.283 50 30 GIEARM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(CCCC)cc3)cc2[n-]c1=S ZINC000023042869 570893261 /nfs/dbraw/zinc/89/32/61/570893261.db2.gz XIPOCZAQKLYZLD-UHFFFAOYSA-N -1 0 393.512 4.466 50 30 GIEARM CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])sc2C1 ZINC000004155221 817506936 /nfs/dbraw/zinc/50/69/36/817506936.db2.gz QPLLVENXOUMKGH-YUELXQCFSA-N -1 0 386.517 4.376 50 30 GIEARM C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(C(=O)[O-])cc3)c12 ZINC000008229811 818020209 /nfs/dbraw/zinc/02/02/09/818020209.db2.gz IWSJNVJPAQGPNP-JLHYYAGUSA-N -1 0 385.423 4.378 50 30 GIEARM N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000013087034 818201904 /nfs/dbraw/zinc/20/19/04/818201904.db2.gz SOLQZDHSHUHUKY-NTEUORMPSA-N -1 0 393.402 4.126 50 30 GIEARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(C(=O)/C=C/c3ccccc3)c1)C2=O ZINC000004956090 206575860 /nfs/dbraw/zinc/57/58/60/206575860.db2.gz WWLJELVLPFLQSG-FMIVXFBMSA-N -1 0 397.386 4.082 50 30 GIEARM C[C@H]1CCc2c(C#N)c(NC(=O)C[C@@H](C(=O)[O-])c3ccc(F)cc3)sc2C1 ZINC000012727986 206929829 /nfs/dbraw/zinc/92/98/29/206929829.db2.gz FGOGGVGAZLLZQN-XHDPSFHLSA-N -1 0 386.448 4.081 50 30 GIEARM Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000018276139 207098083 /nfs/dbraw/zinc/09/80/83/207098083.db2.gz PZPCVNRUPJPBCQ-FLFQWRMESA-N -1 0 399.410 4.122 50 30 GIEARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)sc2C#N)c1 ZINC000095995678 208250469 /nfs/dbraw/zinc/25/04/69/208250469.db2.gz UKLSNHWGBYBUJH-UHFFFAOYSA-N -1 0 376.503 4.311 50 30 GIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000005793604 520885848 /nfs/dbraw/zinc/88/58/48/520885848.db2.gz YBOXXXHKWXQAMZ-KGENOOAVSA-N -1 0 381.505 4.345 50 30 GIEARM Cc1c(/N=C/c2cc(Cl)cc([O-])c2Cl)c(=O)n(-c2ccccc2)n1C ZINC000101671585 525521213 /nfs/dbraw/zinc/52/12/13/525521213.db2.gz VEOHLNWKGRVPTB-UFFVCSGVSA-N -1 0 376.243 4.247 50 30 GIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccco2)sc1C ZINC000102799236 526962034 /nfs/dbraw/zinc/96/20/34/526962034.db2.gz OVVMDBYNZBKBPH-MRPLLJTBSA-N -1 0 386.454 4.041 50 30 GIEARM O=C([O-])C(CC(=O)c1ccc(Br)cc1)=Nc1ccc(Cl)cc1 ZINC000020149597 570254549 /nfs/dbraw/zinc/25/45/49/570254549.db2.gz SCRMRZJVSCRXSX-ZROIWOOFSA-N -1 0 380.625 4.366 50 30 GIEARM CCCCCOc1ccc(C=Nn2c(=S)[n-]nc2C(F)(F)F)cc1OC ZINC000006066987 570465372 /nfs/dbraw/zinc/46/53/72/570465372.db2.gz SWLIMCBPNPUVBL-KEBDBYFISA-N -1 0 388.415 4.045 50 30 GIEARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1ccc(C#N)cc1 ZINC000064670184 570514971 /nfs/dbraw/zinc/51/49/71/570514971.db2.gz GMFDRSLVYPHESS-UHFFFAOYSA-N -1 0 399.497 4.190 50 30 GIEARM CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])COP(=O)([O-])[O-] ZINC000008216841 570524606 /nfs/dbraw/zinc/52/46/06/570524606.db2.gz YHEDRJPUIRMZMP-ZWKOTPCHSA-N -1 0 381.494 4.265 50 30 endogenous,in-man GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000013127712 570747869 /nfs/dbraw/zinc/74/78/69/570747869.db2.gz BAIVYMSJICTNMJ-SFHVURJKSA-N -1 0 396.349 4.044 50 30 GIEARM Cc1cc(C)c(-n2cc(C(=O)c3cc(Cl)ccc3[O-])cc(C#N)c2=O)c(C)c1 ZINC000005863745 570798606 /nfs/dbraw/zinc/79/86/06/570798606.db2.gz YLGNATWOSMXERZ-UHFFFAOYSA-N -1 0 392.842 4.224 50 30 GIEARM Cc1c2ccc(C(F)(F)F)nc2sc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000103608427 570887758 /nfs/dbraw/zinc/88/77/58/570887758.db2.gz GFGGZIAONOSJIH-GFCCVEGCSA-N -1 0 395.406 4.005 50 30 GIEARM COc1cc(/C=C2/CSc3ccc(Cl)cc3C2=O)cc([N+](=O)[O-])c1[O-] ZINC000096930489 570910392 /nfs/dbraw/zinc/91/03/92/570910392.db2.gz SZGPENHWHOQUFZ-WMZJFQQLSA-N -1 0 377.805 4.334 50 30 GIEARM O=C([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000001478101 206384834 /nfs/dbraw/zinc/38/48/34/206384834.db2.gz JAMXTPQUDPHCFG-UFWORHAWSA-N -1 0 393.255 4.121 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000018283478 207098073 /nfs/dbraw/zinc/09/80/73/207098073.db2.gz PQRPVFNMSISUAW-NKFKGCMQSA-N -1 0 375.457 4.309 50 30 GIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000101247395 208390425 /nfs/dbraw/zinc/39/04/25/208390425.db2.gz PCYOCYOXGZDBQY-HVESIFNPSA-N -1 0 398.256 4.057 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1ccccc1Cl)C(C#N)C#N ZINC000101497128 520890393 /nfs/dbraw/zinc/89/03/93/520890393.db2.gz XBNBQHZZJCMRHC-PMACEKPBSA-N -1 0 376.847 4.121 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000100510732 520898989 /nfs/dbraw/zinc/89/89/89/520898989.db2.gz AZSUBMZRCDHZOD-PTGBLXJZSA-N -1 0 375.457 4.309 50 30 GIEARM Cc1cccc(-c2ccc(/C=C3\C(=O)SC(=S)N3CCCC(=O)[O-])o2)c1 ZINC000011692955 534549214 /nfs/dbraw/zinc/54/92/14/534549214.db2.gz KXXQQYCNWBKXAD-RVDMUPIBSA-N -1 0 387.482 4.321 50 30 GIEARM CN1C(=O)/C(=C/c2cccs2)SC1=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000252609032 523675132 /nfs/dbraw/zinc/67/51/32/523675132.db2.gz HPKXWMNGSCGDBI-WRBCWBSPSA-N -1 0 378.862 4.334 50 30 GIEARM C[C@H](Oc1ccc(C(=O)/C=C\c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000033466818 525929784 /nfs/dbraw/zinc/92/97/84/525929784.db2.gz WVJONGWPMYKBRJ-MCWZUMHDSA-N -1 0 375.218 4.197 50 30 GIEARM O=C([N-]Cc1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097944216 526659270 /nfs/dbraw/zinc/65/92/70/526659270.db2.gz XFYMOUXRHRMJPG-UHFFFAOYSA-N -1 0 387.629 4.424 50 30 GIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccco2)sc1C ZINC000102799232 526960873 /nfs/dbraw/zinc/96/08/73/526960873.db2.gz OVVMDBYNZBKBPH-SXWSKBOKSA-N -1 0 386.454 4.041 50 30 GIEARM Cn1c(C(C#N)=C([O-])c2csc(-c3ccccc3)n2)nnc1-c1ccccc1 ZINC000060043856 527019245 /nfs/dbraw/zinc/01/92/45/527019245.db2.gz SLYABUPFFSJIFU-INIZCTEOSA-N -1 0 385.452 4.096 50 30 GIEARM O=S(=O)(C(N=Nc1ccc(Cl)cc1)=C([O-])c1ccccc1)c1ccccc1 ZINC000095628202 527590750 /nfs/dbraw/zinc/59/07/50/527590750.db2.gz SCSWKOOPJHDAPP-ATJXCDBQSA-N -1 0 398.871 4.422 50 30 GIEARM O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Cl)c1 ZINC000012348026 570370511 /nfs/dbraw/zinc/37/05/11/570370511.db2.gz OLBQYDDMDYEANS-SFHVURJKSA-N -1 0 391.858 4.384 50 30 GIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccco2)sc1C ZINC000006812806 570495007 /nfs/dbraw/zinc/49/50/07/570495007.db2.gz SZTDNHPONXAGOX-AWEZNQCLSA-N -1 0 386.454 4.197 50 30 GIEARM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000005884325 570801019 /nfs/dbraw/zinc/80/10/19/570801019.db2.gz NYVATBSKVBDVLV-UHFFFAOYSA-N -1 0 394.296 4.397 50 30 GIEARM Cc1ccc(/N=C2/S/C(=C/c3cccc(OCC(=O)[O-])c3)C(=O)N2C)cc1C ZINC000006033119 570815764 /nfs/dbraw/zinc/81/57/64/570815764.db2.gz AAWISVHBBZUSAK-FYQLEFRXSA-N -1 0 396.468 4.001 50 30 GIEARM CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000101278871 570818489 /nfs/dbraw/zinc/81/84/89/570818489.db2.gz PRVWZLMJGSIEJW-VFJWVMJUSA-N -1 0 398.462 4.379 50 30 GIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000101438256 570823084 /nfs/dbraw/zinc/82/30/84/570823084.db2.gz NMALSCWAVRRZRQ-XMHGGMMESA-N -1 0 392.202 4.092 50 30 GIEARM CCc1ccc(N2C(=O)C(C=Nc3ccc(C(C)=O)cc3)C(=O)[N-]C2=S)cc1 ZINC000101581672 570826910 /nfs/dbraw/zinc/82/69/10/570826910.db2.gz DWVKFEIILVYMLB-WSDLNYQXSA-N -1 0 393.468 4.116 50 30 GIEARM COc1ccc2ccccc2c1C=NNc1nnc2c3cccc(C)c3nc-2[n-]1 ZINC000033154927 570829806 /nfs/dbraw/zinc/82/98/06/570829806.db2.gz IQZLCILFBMJFQR-FMCGGJTJSA-N -1 0 382.427 4.422 50 30 GIEARM Cc1cccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)c1 ZINC000004578380 570905481 /nfs/dbraw/zinc/90/54/81/570905481.db2.gz YGBMLCRDBGARPL-DARPEHSRSA-N -1 0 399.410 4.122 50 30 GIEARM O=C([O-])CSC1=CC2=N[C@@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=CC1=O ZINC000002109716 570949782 /nfs/dbraw/zinc/94/97/82/570949782.db2.gz WPYJKQMHFATMFE-LHSJRXKWSA-N -1 0 384.501 4.030 50 30 GIEARM O=[N+]([O-])c1cc(Br)c([O-])c(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000252623177 571034938 /nfs/dbraw/zinc/03/49/38/571034938.db2.gz OLUGZYSLQLOETM-UHFFFAOYSA-N -1 0 393.222 4.119 50 30 GIEARM N#CCCn1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(-c2ccc(Cl)cc2)n1 ZINC000003354146 209427828 /nfs/dbraw/zinc/42/78/28/209427828.db2.gz VLZXFRWRWFCOLB-UHFFFAOYSA-N -1 0 394.818 4.068 50 30 GIEARM COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C#N)cc1 ZINC000002794878 209384527 /nfs/dbraw/zinc/38/45/27/209384527.db2.gz RZEIRNPXDMZOMK-HZPDHXFCSA-N -1 0 396.468 4.209 50 30 GIEARM COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C#N)cc1 ZINC000002730209 209379108 /nfs/dbraw/zinc/37/91/08/209379108.db2.gz DQAASANCZGVMLL-JKSUJKDBSA-N -1 0 398.484 4.433 50 30 GIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2c(O)ccc3ccccc32)c1 ZINC000001478941 209330158 /nfs/dbraw/zinc/33/01/58/209330158.db2.gz YXACFFHSIOSNRC-CIAFOILYSA-N -1 0 376.441 4.357 50 30 GIEARM C=CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C1=O ZINC000002177197 209169911 /nfs/dbraw/zinc/16/99/11/209169911.db2.gz YFTKICVHNRHLLR-PDGQHHTCSA-N -1 0 395.436 4.186 50 30 GIEARM N#Cc1ccc(/C=C\c2nc3ccccc3c(=O)n2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000096845487 211349608 /nfs/dbraw/zinc/34/96/08/211349608.db2.gz SOLQZDHSHUHUKY-ZROIWOOFSA-N -1 0 393.402 4.126 50 30 GIEARM CC(=O)c1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000100507786 518424117 /nfs/dbraw/zinc/42/41/17/518424117.db2.gz SGSVLUKXTLQAFT-LVWGJNHUSA-N -1 0 382.423 4.108 50 30 GIEARM C=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000100602469 519153131 /nfs/dbraw/zinc/15/31/31/519153131.db2.gz NTSGPDYOCHNBRV-UHFFFAOYSA-N -1 0 389.238 4.452 50 30 GIEARM Cc1cccc(N=Nc2c(-c3ccccc3)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c1 ZINC000097442181 524529380 /nfs/dbraw/zinc/52/93/80/524529380.db2.gz YHCRHSVWRHFBFJ-DARPEHSRSA-N -1 0 399.410 4.122 50 30 GIEARM Cc1ccc(C(C)C)c(OCC(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002709229 526247501 /nfs/dbraw/zinc/24/75/01/526247501.db2.gz CPRQTMSLSFSUAN-UHFFFAOYSA-N -1 0 381.881 4.496 50 30 GIEARM O=S(=O)([N-]c1nccs1)c1ccc(/N=C/c2ccc(Cl)cc2)cc1 ZINC000044018912 570271792 /nfs/dbraw/zinc/27/17/92/570271792.db2.gz VHKXRKSVDHHDGD-YBFXNURJSA-N -1 0 377.878 4.348 50 30 GIEARM N#Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Cc1cccc(Cl)c1 ZINC000098213234 570321699 /nfs/dbraw/zinc/32/16/99/570321699.db2.gz ULZLUTMUKYKXIL-UHFFFAOYSA-N -1 0 389.889 4.060 50 30 GIEARM CCCCNC(=O)N=S(=O)([O-])c1ccc(N=Cc2ccccc2Cl)cc1 ZINC000004502111 570379706 /nfs/dbraw/zinc/37/97/06/570379706.db2.gz GVMXVPUCXIBFAN-FYJGNVAPSA-N -1 0 393.896 4.083 50 30 GIEARM CC(C)Oc1cccc(-c2n[n-]c(=S)n2N=Cc2ccccc2[N+](=O)[O-])c1 ZINC000005625099 570449055 /nfs/dbraw/zinc/44/90/55/570449055.db2.gz HWXNCWMJKBDAHJ-YBFXNURJSA-N -1 0 383.433 4.185 50 30 GIEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1 ZINC000006007295 570463966 /nfs/dbraw/zinc/46/39/66/570463966.db2.gz ODSLLWDCYSNQNQ-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)o1 ZINC000013689941 570668733 /nfs/dbraw/zinc/66/87/33/570668733.db2.gz VIZHZBFWIGUVBJ-QGZVFWFLSA-N -1 0 394.452 4.444 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(F)c2)no1 ZINC000005800516 570693495 /nfs/dbraw/zinc/69/34/95/570693495.db2.gz RWUBZBBYHSCLTN-SFHVURJKSA-N -1 0 396.349 4.044 50 30 GIEARM CCOc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccco3)c(C#N)c(=O)[n-]2)cc1 ZINC000006907933 570698691 /nfs/dbraw/zinc/69/86/91/570698691.db2.gz WSZPRRVMLFXTOA-GFCCVEGCSA-N -1 0 395.440 4.076 50 30 GIEARM CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])sc2C1 ZINC000239175763 570822083 /nfs/dbraw/zinc/82/20/83/570822083.db2.gz QPLLVENXOUMKGH-VHDGCEQUSA-N -1 0 386.517 4.376 50 30 GIEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(OCC)cc3)no2)c1=O ZINC000101725255 570831295 /nfs/dbraw/zinc/83/12/95/570831295.db2.gz HALSUOFSZLHPAD-UHFFFAOYSA-N -1 0 389.411 4.009 50 30 GIEARM N#CC(=C([O-])c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nc2ccccc2o1 ZINC000170623078 570881462 /nfs/dbraw/zinc/88/14/62/570881462.db2.gz LQZQEGBOHTWQOT-LBPRGKRZSA-N -1 0 398.300 4.387 50 30 GIEARM Cc1ccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)cc1 ZINC000252462125 570960780 /nfs/dbraw/zinc/96/07/80/570960780.db2.gz PZPCVNRUPJPBCQ-UHFFFAOYSA-N -1 0 399.410 4.122 50 30 GIEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3cc(Cl)cc(Cl)c3)c2)c1 ZINC000003252134 817428238 /nfs/dbraw/zinc/42/82/38/817428238.db2.gz QSXLNGKQLWRBTP-UHFFFAOYSA-N -1 0 399.233 4.261 50 30 GIEARM CCOc1ccccc1/C=C/C(=O)c1ccc(OC)c(CSCC(=O)[O-])c1 ZINC000013094372 230883242 /nfs/dbraw/zinc/88/32/42/230883242.db2.gz GZGSEJUBPYTYNO-CSKARUKUSA-N -1 0 386.469 4.308 50 30 GIEARM Cc1ccc([C@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000018211418 210217598 /nfs/dbraw/zinc/21/75/98/210217598.db2.gz ZRLMKXLHFGQFHY-KRWDZBQOSA-N -1 0 394.427 4.374 50 30 GIEARM Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@@H]2c2ccc(F)cc2)n1 ZINC000006813377 209692238 /nfs/dbraw/zinc/69/22/38/209692238.db2.gz FUDBLPJQNFDYPI-SFHVURJKSA-N -1 0 394.427 4.374 50 30 GIEARM Cc1sc(NC(=O)/C=C/C(=O)[O-])c(C#N)c1-c1ccc(Cl)cc1Cl ZINC000002769837 209383855 /nfs/dbraw/zinc/38/38/55/209383855.db2.gz BTMGGEIDZUDWBN-SNAWJCMRSA-N -1 0 381.240 4.481 50 30 GIEARM CCCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000002750580 209382645 /nfs/dbraw/zinc/38/26/45/209382645.db2.gz ZFDOKSBOFUOSOD-UHFFFAOYSA-N -1 0 379.482 4.083 50 30 GIEARM COc1ccc(-c2c(C)sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C#N)cc1 ZINC000002730212 209380212 /nfs/dbraw/zinc/38/02/12/209380212.db2.gz DQAASANCZGVMLL-CVEARBPZSA-N -1 0 398.484 4.433 50 30 GIEARM N#Cc1sc2c(c1[O-])c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000001635173 209335508 /nfs/dbraw/zinc/33/55/08/209335508.db2.gz JPWPIMNPAQVILH-UHFFFAOYSA-N -1 0 377.450 4.150 50 30 GIEARM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003884882 209137614 /nfs/dbraw/zinc/13/76/14/209137614.db2.gz DCBLWRXMEUMKIG-UHFFFAOYSA-N -1 0 386.256 4.073 50 30 GIEARM CC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000095215273 518343214 /nfs/dbraw/zinc/34/32/14/518343214.db2.gz LRDDBAJOQUHVPE-YYDJUVGSSA-N -1 0 382.423 4.108 50 30 GIEARM CCCCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O ZINC000100504417 520071975 /nfs/dbraw/zinc/07/19/75/520071975.db2.gz KXXDIBQOYIDGIL-UHFFFAOYSA-N -1 0 379.460 4.325 50 30 GIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000012403891 520897400 /nfs/dbraw/zinc/89/74/00/520897400.db2.gz NMALSCWAVRRZRQ-RGEXLXHISA-N -1 0 392.202 4.092 50 30 GIEARM CC[C@H](C)C(=O)NC([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F ZINC000002257055 523831484 /nfs/dbraw/zinc/83/14/84/523831484.db2.gz MESJHMGNYRMVJJ-ZETCQYMHSA-N -1 0 378.263 4.360 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000100356174 528152173 /nfs/dbraw/zinc/15/21/73/528152173.db2.gz WSAYWRVGEMMYTB-NKFKGCMQSA-N -1 0 375.457 4.309 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2cccc(Cl)c2)no1 ZINC000001451116 570226108 /nfs/dbraw/zinc/22/61/08/570226108.db2.gz XEYNJIDNOBQVAA-MRXNPFEDSA-N -1 0 384.775 4.012 50 30 GIEARM CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccc(Br)cc1 ZINC000012347861 570370625 /nfs/dbraw/zinc/37/06/25/570370625.db2.gz VSENXBILTYKMCQ-CYBMUJFWSA-N -1 0 388.265 4.078 50 30 GIEARM CC/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C(=O)N1CC ZINC000004704701 570395869 /nfs/dbraw/zinc/39/58/69/570395869.db2.gz CYDDSJVVNCSFNL-OUYOUGTCSA-N -1 0 384.457 4.265 50 30 GIEARM CCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)[N-]c1cccc(C#N)c1 ZINC000064670187 570515167 /nfs/dbraw/zinc/51/51/67/570515167.db2.gz CNAHSKODUOLPJI-UHFFFAOYSA-N -1 0 399.497 4.190 50 30 GIEARM Cc1[n-]n(-c2ncc(C(C)(C)C)s2)c(=O)c1N=Nc1ccccc1Cl ZINC000101432944 570823103 /nfs/dbraw/zinc/82/31/03/570823103.db2.gz HOBZPNMTDVLBHM-KGENOOAVSA-N -1 0 375.885 4.285 50 30 GIEARM COc1cccc(C=NNc2ccc3c(Cl)cc(Cl)c([O-])c3n2)c1O ZINC000004587458 570922606 /nfs/dbraw/zinc/92/26/06/570922606.db2.gz CBJIXQCZPHXPAQ-DNTJNYDQSA-N -1 0 378.215 4.407 50 30 GIEARM CC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000252461262 570960523 /nfs/dbraw/zinc/96/05/23/570960523.db2.gz LRDDBAJOQUHVPE-UHFFFAOYSA-N -1 0 382.423 4.108 50 30 GIEARM Cc1c(C=Cc2ccc(-c3ccccc3Br)o2)n[n-]c(=O)c1C#N ZINC000007324885 817818123 /nfs/dbraw/zinc/81/81/23/817818123.db2.gz CIPAEVFWWISSAM-SOFGYWHQSA-N -1 0 382.217 4.143 50 30 GIEARM O=C([O-])CSc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1F ZINC000013020499 818200684 /nfs/dbraw/zinc/20/06/84/818200684.db2.gz GSFRRAJNNWTGQO-SOFGYWHQSA-N -1 0 382.416 4.084 50 30 GIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(C(=O)[O-])cc1)OCO3 ZINC000018197462 210216419 /nfs/dbraw/zinc/21/64/19/210216419.db2.gz MAUFLONFECFUFK-HXUWFJFHSA-N -1 0 391.423 4.314 50 30 GIEARM CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000005669425 209608813 /nfs/dbraw/zinc/60/88/13/209608813.db2.gz RDLNDXWMBKOPFF-CIAFOILYSA-N -1 0 380.473 4.112 50 30 GIEARM O=c1c(Cc2ccccc2)c2nn[n-]n2c2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000002469579 209367047 /nfs/dbraw/zinc/36/70/47/209367047.db2.gz YLIIJLSGDPBOGK-FQEVSTJZSA-N -1 0 396.494 4.348 50 30 GIEARM Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1 ZINC000002746231 209381418 /nfs/dbraw/zinc/38/14/18/209381418.db2.gz AJHQGXJIXBCRRW-CQSZACIVSA-N -1 0 390.468 4.149 50 30 GIEARM CCC(=O)NC([N-]c1sc2c(c1C#N)CCCC2)(C(F)(F)F)C(F)(F)F ZINC000000978330 209285189 /nfs/dbraw/zinc/28/51/89/209285189.db2.gz BRLWJLMBDUMUIC-UHFFFAOYSA-N -1 0 399.360 4.258 50 30 GIEARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C#N)c2)c(Br)c1 ZINC000012884574 211691525 /nfs/dbraw/zinc/69/15/25/211691525.db2.gz AJMQFULIJUAUMI-UHFFFAOYSA-N -1 0 385.670 4.083 50 30 GIEARM C[C@H](C(=O)[O-])n1cc(-c2cc(-c3ccc(O)cc3)c(C#N)c(N)n2)c2ccccc21 ZINC000071760137 211058566 /nfs/dbraw/zinc/05/85/66/211058566.db2.gz MQYZTOOHVMILGF-CYBMUJFWSA-N -1 0 398.422 4.175 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1C ZINC000018116183 520898318 /nfs/dbraw/zinc/89/83/18/520898318.db2.gz WSAYWRVGEMMYTB-PTGBLXJZSA-N -1 0 375.457 4.309 50 30 GIEARM CN(C(=O)C([O-])=C(C(=O)c1ccccc1)C(=O)c1ccccc1)c1ccccc1 ZINC000103054955 523783273 /nfs/dbraw/zinc/78/32/73/523783273.db2.gz RZQKYEDUJOMSBX-UHFFFAOYSA-N -1 0 385.419 4.227 50 30 GIEARM COc1ccccc1N=Nc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000100510729 524533076 /nfs/dbraw/zinc/53/30/76/524533076.db2.gz HYGDHZLCZQTXEC-PTGBLXJZSA-N -1 0 391.456 4.009 50 30 GIEARM C[C@H](COc1ccccc1)[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100748242 524593309 /nfs/dbraw/zinc/59/33/09/524593309.db2.gz ORBTUWWVTAVIEZ-MRVPVSSYSA-N -1 0 397.237 4.038 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@@H]2c2ccc(F)cc2)no1 ZINC000102886138 525046874 /nfs/dbraw/zinc/04/68/74/525046874.db2.gz IIIZRFIYYUIZJQ-WOOAAIBNSA-N -1 0 392.386 4.057 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)no1 ZINC000102708904 525048220 /nfs/dbraw/zinc/04/82/20/525048220.db2.gz LQRVYCAMUJLBOD-LFVOPCPISA-N -1 0 392.386 4.057 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc3cccc(F)c3c2C)n1 ZINC000006606674 526400716 /nfs/dbraw/zinc/40/07/16/526400716.db2.gz MYRBDNNYCMTZRR-NSHDSACASA-N -1 0 388.445 4.147 50 30 GIEARM O=C1C(=O)N(Cc2ccco2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000102491571 526955358 /nfs/dbraw/zinc/95/53/58/526955358.db2.gz XUKJMLFJXCMOIM-LFVOPCPISA-N -1 0 377.371 4.041 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@@H](c2ccc(Cl)cc2)C1=C([O-])c1ccccc1 ZINC000102930596 526957268 /nfs/dbraw/zinc/95/72/68/526957268.db2.gz OWNCHJRMEPTOGW-UYTDBDHRSA-N -1 0 396.855 4.423 50 30 GIEARM Cn1c(C(C#N)=C([O-])c2csc(-c3ccccc3)n2)nnc1-c1ccccc1 ZINC000060043861 527018917 /nfs/dbraw/zinc/01/89/17/527018917.db2.gz SLYABUPFFSJIFU-MRXNPFEDSA-N -1 0 385.452 4.096 50 30 GIEARM O=CCCCCC[C@H](C(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000084316945 527139879 /nfs/dbraw/zinc/13/98/79/527139879.db2.gz LGWCOUXHTAMVGR-HXUWFJFHSA-N -1 0 380.440 4.192 50 30 GIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)c(O)c1 ZINC000005808297 570457311 /nfs/dbraw/zinc/45/73/11/570457311.db2.gz RWXCBRUCUIZLIJ-FYJGNVAPSA-N -1 0 397.504 4.050 50 30 GIEARM C[C@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000040089597 570550080 /nfs/dbraw/zinc/55/00/80/570550080.db2.gz OBQKBUDHOCUBEY-ZYHUDNBSSA-N -1 0 379.466 4.219 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccccc2)no1 ZINC000005800484 570693677 /nfs/dbraw/zinc/69/36/77/570693677.db2.gz YFOIZDJRBJUDFX-GOSISDBHSA-N -1 0 394.814 4.419 50 30 GIEARM CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000101278869 570818375 /nfs/dbraw/zinc/81/83/75/570818375.db2.gz PRVWZLMJGSIEJW-RKKARLDVSA-N -1 0 398.462 4.379 50 30 GIEARM Cc1nc(-c2ccc(Cl)s2)sc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000103851198 570889336 /nfs/dbraw/zinc/88/93/36/570889336.db2.gz ZNGUVQPWLCXEBG-NSHDSACASA-N -1 0 393.921 4.215 50 30 GIEARM CCOC(=O)c1c(C)c(C)sc1N=Cc1ccc(OC)c(OC)c1C(=O)[O-] ZINC000252601388 571005688 /nfs/dbraw/zinc/00/56/88/571005688.db2.gz DZIIAMJXLSTCIL-UHFFFAOYSA-N -1 0 391.445 4.008 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O1 ZINC000002646955 817395803 /nfs/dbraw/zinc/39/58/03/817395803.db2.gz XUMWQERUWBIJDL-HNSSHINMSA-N -1 0 391.206 4.482 50 30 GIEARM O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1 ZINC000020330123 818618983 /nfs/dbraw/zinc/61/89/83/818618983.db2.gz BWOXFNCOYASJSA-FQEVSTJZSA-N -1 0 399.402 4.168 50 30 GIEARM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000040089598 821134916 /nfs/dbraw/zinc/13/49/16/821134916.db2.gz OBQKBUDHOCUBEY-CMPLNLGQSA-N -1 0 379.466 4.219 50 30 GIEARM Cc1csc(C(C#N)=C([O-])c2ccc(-c3noc(C(F)(F)F)n3)cc2)n1 ZINC000097001604 231002420 /nfs/dbraw/zinc/00/24/20/231002420.db2.gz CEPMXUWESVAOSF-LLVKDONJSA-N -1 0 378.335 4.010 50 30 GIEARM CC(O)=CC(=O)c1c(C)[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O ZINC000018211037 210218477 /nfs/dbraw/zinc/21/84/77/210218477.db2.gz XXUVXDXSPRCFEN-CLFYSBASSA-N -1 0 375.837 4.308 50 30 GIEARM CC(C)Oc1ccccc1/C=C1\S/C(=N\c2ccc(C(=O)[O-])cc2)NC1=O ZINC000005139217 209574413 /nfs/dbraw/zinc/57/44/13/209574413.db2.gz ORODSUYUGXOFDP-BOPFTXTBSA-N -1 0 382.441 4.064 50 30 GIEARM COc1ccc(-c2c(C)sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C#N)cc1 ZINC000002794879 209385427 /nfs/dbraw/zinc/38/54/27/209385427.db2.gz RZEIRNPXDMZOMK-HOTGVXAUSA-N -1 0 396.468 4.209 50 30 GIEARM O=c1c2c3c(sc2ncn1/N=C/c1cc(Cl)cc(Cl)c1[O-])CCCC3 ZINC000002310001 209355582 /nfs/dbraw/zinc/35/55/82/209355582.db2.gz OWFYYLBBUAOJNF-QPSGOUHRSA-N -1 0 394.283 4.231 50 30 GIEARM COc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccccc1 ZINC000001250175 209317467 /nfs/dbraw/zinc/31/74/67/209317467.db2.gz ZMNNRHTZYVUDQN-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2c(O)ccc3ccccc32)cc1 ZINC000001478112 209331358 /nfs/dbraw/zinc/33/13/58/209331358.db2.gz SRZVXUIGGSFIPX-CIAFOILYSA-N -1 0 376.441 4.357 50 30 GIEARM COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/c2ccc(C(=O)[O-])cc2)c1C ZINC000001104653 209300663 /nfs/dbraw/zinc/30/06/63/209300663.db2.gz OSMFLIOUVJBNNW-WSDLNYQXSA-N -1 0 393.399 4.460 50 30 GIEARM C=CCn1c(SCc2ccc(C(=O)[O-])cc2)nc2sc(C)c(C)c2c1=O ZINC000002265797 209169712 /nfs/dbraw/zinc/16/97/12/209169712.db2.gz RKIWJONQRRWISW-UHFFFAOYSA-N -1 0 386.498 4.251 50 30 GIEARM C=CCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c([O-])c2ccccc21 ZINC000001245490 209168575 /nfs/dbraw/zinc/16/85/75/209168575.db2.gz OMTQHSTUBRPKGL-UHFFFAOYSA-N -1 0 389.238 4.452 50 30 GIEARM C#CCn1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 ZINC000008742554 209161039 /nfs/dbraw/zinc/16/10/39/209161039.db2.gz NJEUVSJRFLKFJZ-MOSHPQCFSA-N -1 0 397.434 4.398 50 30 GIEARM CCCCCCCCCCCCN([C@H](CCSC)C(=O)[O-])S(C)(=O)=O ZINC000101172565 211396219 /nfs/dbraw/zinc/39/62/19/211396219.db2.gz IJKOQLNJXRAVFP-QGZVFWFLSA-N -1 0 395.631 4.375 50 30 GIEARM COc1ccc(N=NC(C(=O)C(F)(F)F)=C([O-])c2ccc(Cl)cc2)cc1 ZINC000027015737 210509155 /nfs/dbraw/zinc/50/91/55/210509155.db2.gz NSOPECLWMQEDGD-UCQKPKSFSA-N -1 0 384.741 4.131 50 30 GIEARM CCCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000059745458 520067582 /nfs/dbraw/zinc/06/75/82/520067582.db2.gz NXMMZTNQIJBMBC-QKIVIXBWSA-N -1 0 380.525 4.031 50 30 in-vitro GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1ccccc1Cl)C(C#N)C#N ZINC000018143072 520890266 /nfs/dbraw/zinc/89/02/66/520890266.db2.gz XBNBQHZZJCMRHC-WOJBJXKFSA-N -1 0 376.847 4.121 50 30 GIEARM CCOC(=O)c1c(C)c(C)sc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000017994120 521389505 /nfs/dbraw/zinc/38/95/05/521389505.db2.gz WSXQULLQWIVCAR-XYHOIZSOSA-N -1 0 383.473 4.283 50 30 GIEARM COc1ccc(OC)c(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)c1 ZINC000005789819 524802914 /nfs/dbraw/zinc/80/29/14/524802914.db2.gz VDIKQVNRHRMQMJ-CIAFOILYSA-N -1 0 398.488 4.294 50 30 GIEARM Cc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000018061908 525790650 /nfs/dbraw/zinc/79/06/50/525790650.db2.gz ZRLMKXLHFGQFHY-QGZVFWFLSA-N -1 0 394.427 4.374 50 30 GIEARM O=C1c2ccccc2C2=C1[C@H](c1cc([N+](=O)[O-])ccc1[O-])C1=C(CCCC1=O)N2 ZINC000102930655 527133387 /nfs/dbraw/zinc/13/33/87/527133387.db2.gz MLVQOHZSCCVBIG-GOSISDBHSA-N -1 0 388.379 4.442 50 30 GIEARM O=C1c2ccccc2S/C1=C\c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000012377206 527136035 /nfs/dbraw/zinc/13/60/35/527136035.db2.gz FPHJFSFYBNFBIG-MLPAPPSSSA-N -1 0 378.203 4.392 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@@H]2c2cccc(Cl)c2)no1 ZINC000001451115 570226145 /nfs/dbraw/zinc/22/61/45/570226145.db2.gz XEYNJIDNOBQVAA-INIZCTEOSA-N -1 0 384.775 4.012 50 30 GIEARM CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)[O-])[C@H]2c1cccs1 ZINC000004741369 570400903 /nfs/dbraw/zinc/40/09/03/570400903.db2.gz NNKXSBRDPWZYRA-FQEVSTJZSA-N -1 0 382.485 4.449 50 30 GIEARM Cc1cc(N(C)/N=C/c2ccc(Br)cc2)nc(-c2ccccc2[O-])n1 ZINC000004977393 570420969 /nfs/dbraw/zinc/42/09/69/570420969.db2.gz PLGGPUQTBWQPIL-CIAFOILYSA-N -1 0 397.276 4.390 50 30 GIEARM C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12)c1ccc(F)cc1 ZINC000064358323 570443425 /nfs/dbraw/zinc/44/34/25/570443425.db2.gz INWVMAQOLMDGTP-LBPRGKRZSA-N -1 0 390.411 4.352 50 30 GIEARM Fc1cccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)c1 ZINC000006059931 570465362 /nfs/dbraw/zinc/46/53/62/570465362.db2.gz BELKDBSBVUCZRJ-GIJQJNRQSA-N -1 0 377.242 4.391 50 30 GIEARM Cc1csc(N=NCc2cc(Br)c([O-])c(Br)c2)n1 ZINC000004338824 570540063 /nfs/dbraw/zinc/54/00/63/570540063.db2.gz NHTBVCBRXFXIAB-LNKIKWGQSA-N -1 0 391.088 4.128 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000005800541 570693498 /nfs/dbraw/zinc/69/34/98/570693498.db2.gz NJMZZWXAPVEWRF-SFHVURJKSA-N -1 0 394.814 4.419 50 30 GIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000104180332 570896958 /nfs/dbraw/zinc/89/69/58/570896958.db2.gz VBVZVUZQNRQAJG-GROYHEBESA-N -1 0 394.427 4.217 50 30 GIEARM Cc1ccc([C@@H]2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2nccs2)cc1 ZINC000104214634 570897539 /nfs/dbraw/zinc/89/75/39/570897539.db2.gz BJCXXXANOUZDJN-GROYHEBESA-N -1 0 394.427 4.217 50 30 GIEARM O=C([O-])CSC1=CC2=N[C@@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=CC1=O ZINC000002109717 570949832 /nfs/dbraw/zinc/94/98/32/570949832.db2.gz WPYJKQMHFATMFE-SPLOXXLWSA-N -1 0 384.501 4.030 50 30 GIEARM Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000252461700 570960398 /nfs/dbraw/zinc/96/03/98/570960398.db2.gz NMALSCWAVRRZRQ-UHFFFAOYSA-N -1 0 392.202 4.092 50 30 GIEARM CCOC(=O)Nc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041554199 821208415 /nfs/dbraw/zinc/20/84/15/821208415.db2.gz ZBQFDKRNBKGXDD-CQSZACIVSA-N -1 0 377.322 4.159 50 30 GIEARM Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3nccs3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000018205476 210216266 /nfs/dbraw/zinc/21/62/66/210216266.db2.gz DCDRWALIAGTXEH-QGZVFWFLSA-N -1 0 394.427 4.374 50 30 GIEARM CCCCCCCCCC(=CC1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)[O-] ZINC000014252145 210113648 /nfs/dbraw/zinc/11/36/48/210113648.db2.gz AALSSIXXBDPENJ-FYWRMAATSA-N -1 0 378.465 4.111 50 30 GIEARM FC(F)c1n[n-]c(=S)n1N=Cc1ccc(COc2ccc(Cl)cc2)o1 ZINC000002791068 209385092 /nfs/dbraw/zinc/38/50/92/209385092.db2.gz ITHANHMCJBGMKW-FBCYGCLPSA-N -1 0 384.795 4.212 50 30 GIEARM O=C(Nc1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002651246 209375178 /nfs/dbraw/zinc/37/51/78/209375178.db2.gz ROVBFLVYQUMSQB-UHFFFAOYSA-N -1 0 376.434 4.324 50 30 GIEARM COc1cc(/C=N/N=C/c2cc(Cl)cc(Cl)c2[O-])cc(OC)c1OC ZINC000002158976 209349020 /nfs/dbraw/zinc/34/90/20/209349020.db2.gz OSZIWTPSBXKEKY-IYJUZEOBSA-N -1 0 383.231 4.178 50 30 GIEARM COc1ccccc1-n1cnc2cc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])ccc21 ZINC000000860969 209273287 /nfs/dbraw/zinc/27/32/87/209273287.db2.gz MOXPSPHGAAJPLL-WSDLNYQXSA-N -1 0 388.383 4.399 50 30 GIEARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C#N)c1=O ZINC000100670127 211389325 /nfs/dbraw/zinc/38/93/25/211389325.db2.gz HFDJGGYXJOILAG-UHFFFAOYSA-N -1 0 375.428 4.021 50 30 GIEARM CCOC(=O)C(=C([O-])c1ccccc1)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100369754 520389382 /nfs/dbraw/zinc/38/93/82/520389382.db2.gz LUUVGTAGORRJCM-ICFOKQHNSA-N -1 0 392.751 4.302 50 30 GIEARM COc1cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)ccc1OCC(=O)[O-] ZINC000033655103 522052328 /nfs/dbraw/zinc/05/23/28/522052328.db2.gz GEVLVMAQECUOGF-UTCJRWHESA-N -1 0 381.211 4.362 50 30 GIEARM Cc1cccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccc(F)cc2)n1 ZINC000102494497 524531178 /nfs/dbraw/zinc/53/11/78/524531178.db2.gz OIKKRNXCJCJJHI-SELCWUDQSA-N -1 0 394.427 4.217 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000102804256 525047109 /nfs/dbraw/zinc/04/71/09/525047109.db2.gz MCHLJGVKZDHIMD-HVESIFNPSA-N -1 0 398.802 4.164 50 30 GIEARM COc1cccc(C=NNc2ccccc2C(=O)[O-])c1OCc1ccccc1 ZINC000004372971 525773330 /nfs/dbraw/zinc/77/33/30/525773330.db2.gz KMEAQBHSGBXERO-OEAKJJBVSA-N -1 0 376.412 4.418 50 30 GIEARM O=C([O-])c1cc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)ccc1Cl ZINC000004663121 526342122 /nfs/dbraw/zinc/34/21/22/526342122.db2.gz OWKUHKATGLRDHZ-UKWGHVSLSA-N -1 0 386.751 4.047 50 30 GIEARM O=C([O-])c1ccc(-n2cccc2/C=C2/S/C(=N\c3ccccc3)NC2=O)cc1 ZINC000015013718 526359899 /nfs/dbraw/zinc/35/98/99/526359899.db2.gz XNJADVUJNIJGCG-QGOAFFKASA-N -1 0 389.436 4.067 50 30 GIEARM O=C([O-])c1ccc(COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000000980559 526369435 /nfs/dbraw/zinc/36/94/35/526369435.db2.gz NRIDPHPNVUPLOD-UHFFFAOYSA-N -1 0 384.387 4.426 50 30 GIEARM O=C([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)c1 ZINC000015723775 526370283 /nfs/dbraw/zinc/37/02/83/526370283.db2.gz KIZZFQSXCFUKOP-UKWGHVSLSA-N -1 0 386.751 4.047 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)CSc2ccc3ccccc3c2)n1 ZINC000006606128 526400391 /nfs/dbraw/zinc/40/03/91/526400391.db2.gz VONURMPBAJIFCU-KRWDZBQOSA-N -1 0 396.493 4.117 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cccc(Cl)c2Cl)n1 ZINC000007814136 526401234 /nfs/dbraw/zinc/40/12/34/526401234.db2.gz DOCGLCLQGQXYQJ-FYJFLYSWSA-N -1 0 395.267 4.191 50 30 GIEARM O=CC(N=Nc1ccc(C(F)(F)F)cc1)=C([O-])c1ccc(Br)cc1 ZINC000100406375 526938815 /nfs/dbraw/zinc/93/88/15/526938815.db2.gz IYDUEVYWWWGMCI-HYARGMPZSA-N -1 0 399.166 4.318 50 30 GIEARM O=C1Nc2ccccc2C1=N[N-]c1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000013124246 527090764 /nfs/dbraw/zinc/09/07/64/527090764.db2.gz SEMFEXJBIKPCSW-UHFFFAOYSA-N -1 0 377.219 4.030 50 30 GIEARM O=C([O-])COc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000068042103 527616566 /nfs/dbraw/zinc/61/65/66/527616566.db2.gz AJDWKBSNFYZGFY-ORCRQEGFSA-N -1 0 396.182 4.261 50 30 GIEARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(/C=C/C(=O)c3ccccc3)c1)C2=O ZINC000004600527 570387017 /nfs/dbraw/zinc/38/70/17/570387017.db2.gz IAVDZGJTKSUAHI-FMIVXFBMSA-N -1 0 397.386 4.082 50 30 GIEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000005530072 570444295 /nfs/dbraw/zinc/44/42/95/570444295.db2.gz AOSVQKGYMXKQGE-SRZZPIQSSA-N -1 0 389.839 4.158 50 30 GIEARM Cc1cc([N+](=O)[O-])ccc1N=NC(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000008396768 570531119 /nfs/dbraw/zinc/53/11/19/570531119.db2.gz NMFBUHNSILDPGR-UHFFFAOYSA-N -1 0 387.395 4.437 50 30 GIEARM Cc1cc(/C=N/c2ccc(O)c(C(=O)[O-])c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000012445273 570666035 /nfs/dbraw/zinc/66/60/35/570666035.db2.gz MNWCXWOXNFCIJM-YDZHTSKRSA-N -1 0 377.444 4.315 50 30 GIEARM Cc1ccc(/N=C2/S/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=O)N2C)cc1C ZINC000005795082 570691239 /nfs/dbraw/zinc/69/12/39/570691239.db2.gz ZXBQQEXOPFZXRF-CXSMVCKMSA-N -1 0 396.468 4.001 50 30 GIEARM N#Cc1cc(C(=O)c2cc(Cl)ccc2[O-])cn(Cc2ccc(Cl)cc2)c1=O ZINC000005863474 570798488 /nfs/dbraw/zinc/79/84/88/570798488.db2.gz JXHOVAZWJUFTCA-UHFFFAOYSA-N -1 0 399.233 4.012 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(C)c1 ZINC000252460024 570959848 /nfs/dbraw/zinc/95/98/48/570959848.db2.gz AZSUBMZRCDHZOD-UHFFFAOYSA-N -1 0 375.457 4.309 50 30 GIEARM O=[N+]([O-])c1cc(Cl)cc(C=NNc2ncc(C(F)(F)F)cc2Cl)c1[O-] ZINC000252511478 570981413 /nfs/dbraw/zinc/98/14/13/570981413.db2.gz HFDDLYBTFFRYGB-UHFFFAOYSA-N -1 0 395.124 4.467 50 30 GIEARM N#Cc1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004229229 817511240 /nfs/dbraw/zinc/51/12/40/817511240.db2.gz CEHZPXULSNRIGE-QWHCGFSZSA-N -1 0 378.881 4.061 50 30 GIEARM COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)ccc1OCC#N ZINC000005131030 817553310 /nfs/dbraw/zinc/55/33/10/817553310.db2.gz RPEAJYILJIFWKW-GXDHUFHOSA-N -1 0 380.425 4.223 50 30 GIEARM Cc1ccc(OCCCSc2nc(-c3ccccc3)c(C#N)c(=O)[n-]2)cc1 ZINC000031773588 820857862 /nfs/dbraw/zinc/85/78/62/820857862.db2.gz JOQYLLFSNPOHLG-UHFFFAOYSA-N -1 0 377.469 4.178 50 30 GIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4)c3=O)n2)cc1 ZINC000100341573 231006522 /nfs/dbraw/zinc/00/65/22/231006522.db2.gz SBGWDNICTVSAOW-PTGBLXJZSA-N -1 0 391.456 4.009 50 30 GIEARM O=C([O-])COc1ccc(Br)cc1C=NNc1ccccc1Cl ZINC000004646902 209503995 /nfs/dbraw/zinc/50/39/95/209503995.db2.gz YIDNWAANGSEWJM-LSCVHKIXSA-N -1 0 383.629 4.012 50 30 GIEARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(/C=C/C(=O)c3ccccc3)cc1)C2=O ZINC000004187475 209470547 /nfs/dbraw/zinc/47/05/47/209470547.db2.gz KLXAQNORHSCOFZ-MDWZMJQESA-N -1 0 397.386 4.082 50 30 GIEARM C[C@@H](C[N-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000002310441 209356009 /nfs/dbraw/zinc/35/60/09/209356009.db2.gz PKMQFNMGHMGZKM-QMMMGPOBSA-N -1 0 381.238 4.375 50 30 GIEARM N#C/C(=N\[N-]c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002151210 209348803 /nfs/dbraw/zinc/34/88/03/209348803.db2.gz DVRDSAAXYDHCEI-XSFVSMFZSA-N -1 0 388.663 4.370 50 30 GIEARM CCc1c(C)sc([N-]C(NC(=O)OC)(C(F)(F)F)C(F)(F)F)c1C#N ZINC000001066831 209295752 /nfs/dbraw/zinc/29/57/52/209295752.db2.gz REFSGRBTEFNXNC-UHFFFAOYSA-N -1 0 389.321 4.079 50 30 GIEARM C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000001833882 209167900 /nfs/dbraw/zinc/16/79/00/209167900.db2.gz YMMXLRZVUVLUMQ-BOPFTXTBSA-N -1 0 397.477 4.355 50 30 GIEARM COc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H]2CCCc3ccccc32)c1 ZINC000097002732 533825602 /nfs/dbraw/zinc/82/56/02/533825602.db2.gz KXCYAMLUGJYFNU-OAHLLOKOSA-N -1 0 379.865 4.114 50 30 GIEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@](Cl)(C(=O)OC)CCC1=O ZINC000100705362 519983630 /nfs/dbraw/zinc/98/36/30/519983630.db2.gz RWCAQFKEUFLKTP-PXNSSMCTSA-N -1 0 386.916 4.175 50 30 GIEARM CCCCCCCCCCCC(=O)C1=C([O-])[C@@](Cl)(C(=O)OC)CCC1=O ZINC000100705354 519984249 /nfs/dbraw/zinc/98/42/49/519984249.db2.gz RWCAQFKEUFLKTP-YLJYHZDGSA-N -1 0 386.916 4.175 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2cccc(Oc3ccc(Cl)cc3)c2)C(=O)O1 ZINC000021711910 520852326 /nfs/dbraw/zinc/85/23/26/520852326.db2.gz JYOVKCVPTGAKEF-URZUPRTMSA-N -1 0 382.799 4.361 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000095351613 520891587 /nfs/dbraw/zinc/89/15/87/520891587.db2.gz DQYAHWDMAZWMIY-VQTJNVASSA-N -1 0 376.847 4.121 50 30 GIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(SC)cc2)cc1OC ZINC000001475978 523177052 /nfs/dbraw/zinc/17/70/52/523177052.db2.gz OKUOHLRLVMOEOR-YBFXNURJSA-N -1 0 386.502 4.229 50 30 GIEARM O=C1C(=O)N(Cc2ccco2)[C@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000102927070 526955237 /nfs/dbraw/zinc/95/52/37/526955237.db2.gz JUYWBZVJRYHARF-LFVOPCPISA-N -1 0 377.371 4.041 50 30 GIEARM O=C(C=Cc1cccc2ccccc12)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000097173629 527353786 /nfs/dbraw/zinc/35/37/86/527353786.db2.gz ZATJOGCPADRTMV-RAXLEYEMSA-N -1 0 396.424 4.248 50 30 GIEARM O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100045770 527551385 /nfs/dbraw/zinc/55/13/85/527551385.db2.gz AEBAYKKLSQLBDU-UHFFFAOYSA-N -1 0 396.074 4.148 50 30 GIEARM Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1sc2c(c1C#N)CCC2 ZINC000103785108 570415535 /nfs/dbraw/zinc/41/55/35/570415535.db2.gz MUKVORPAMVCEMY-YBEGLDIGSA-N -1 0 382.876 4.480 50 30 GIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000005703178 570451777 /nfs/dbraw/zinc/45/17/77/570451777.db2.gz QQEBJMPRMMYWCL-GIJQJNRQSA-N -1 0 389.824 4.060 50 30 GIEARM CCOc1ccccc1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1 ZINC000006631356 570509081 /nfs/dbraw/zinc/50/90/81/570509081.db2.gz WNHKUMBTQSHFFL-YYDJUVGSSA-N -1 0 384.439 4.304 50 30 GIEARM Cc1ccc(OCCCSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238276 570524416 /nfs/dbraw/zinc/52/44/16/570524416.db2.gz IOYKBCBEUPKZAX-UHFFFAOYSA-N -1 0 391.496 4.487 50 30 GIEARM O=C([O-])c1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000004739973 570539869 /nfs/dbraw/zinc/53/98/69/570539869.db2.gz ZKRSUVJOQKUBIN-UHFFFAOYSA-N -1 0 384.387 4.426 50 30 GIEARM Cc1nc(-c2ccc(Cl)s2)sc1C([O-])=C(C#N)C(=O)NC1CCCC1 ZINC000103851192 570889474 /nfs/dbraw/zinc/88/94/74/570889474.db2.gz ZNGUVQPWLCXEBG-LLVKDONJSA-N -1 0 393.921 4.215 50 30 GIEARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)c1ccc(CC(=O)[O-])cc1 ZINC000032915316 821018690 /nfs/dbraw/zinc/01/86/90/821018690.db2.gz RUPSKUNOCROKDS-VAWYXSNFSA-N -1 0 380.831 4.357 50 30 GIEARM CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(C(=O)[O-])cc1)OCO3 ZINC000018197460 210216927 /nfs/dbraw/zinc/21/69/27/210216927.db2.gz MAUFLONFECFUFK-FQEVSTJZSA-N -1 0 391.423 4.314 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000013127713 210051547 /nfs/dbraw/zinc/05/15/47/210051547.db2.gz BAIVYMSJICTNMJ-GOSISDBHSA-N -1 0 396.349 4.044 50 30 GIEARM Cc1cccc(N=Nc2c(-c3ccccc3)[n-]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c1 ZINC000004656609 209506377 /nfs/dbraw/zinc/50/63/77/209506377.db2.gz YHCRHSVWRHFBFJ-FLFQWRMESA-N -1 0 399.410 4.122 50 30 GIEARM Cn1nc(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1C(F)(F)F ZINC000002777841 209384003 /nfs/dbraw/zinc/38/40/03/209384003.db2.gz SYMZCWSZIKCLMH-UHFFFAOYSA-N -1 0 393.621 4.040 50 30 GIEARM CC(C)Oc1ccccc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)NC1=O ZINC000013914662 211702764 /nfs/dbraw/zinc/70/27/64/211702764.db2.gz ORODSUYUGXOFDP-GZTJUZNOSA-N -1 0 382.441 4.064 50 30 GIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000101231762 211396913 /nfs/dbraw/zinc/39/69/13/211396913.db2.gz IUIRWKDGIWMWKB-HVESIFNPSA-N -1 0 398.256 4.057 50 30 GIEARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1sc2c(c1C#N)CCCC2 ZINC000100148471 211383492 /nfs/dbraw/zinc/38/34/92/211383492.db2.gz PBOVVOGJFCDMCH-BOPFTXTBSA-N -1 0 380.448 4.356 50 30 GIEARM CC(=O)c1cccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)c1 ZINC000018098290 518423173 /nfs/dbraw/zinc/42/31/73/518423173.db2.gz SGSVLUKXTLQAFT-YYDJUVGSSA-N -1 0 382.423 4.108 50 30 GIEARM C=CCn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1cccc(OC)c1 ZINC000005527486 519238698 /nfs/dbraw/zinc/23/86/98/519238698.db2.gz DXSTUDXHNNPQPS-UHFFFAOYSA-N -1 0 381.457 4.130 50 30 GIEARM CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2ccc(OCC)c(OC)c2)cc1 ZINC000005959515 520813901 /nfs/dbraw/zinc/81/39/01/520813901.db2.gz FYNNSLORWIQZCU-FYJGNVAPSA-N -1 0 398.488 4.296 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O1 ZINC000033470963 520851657 /nfs/dbraw/zinc/85/16/57/520851657.db2.gz MNYWLRDZNAUTGK-CJISVDGZSA-N -1 0 391.206 4.482 50 30 GIEARM CCN(CC)c1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2C)c(O)c1 ZINC000002347363 520884148 /nfs/dbraw/zinc/88/41/48/520884148.db2.gz QDVJWGZEWXANNZ-FYJGNVAPSA-N -1 0 381.505 4.350 50 30 GIEARM Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1N=Nc1cc(Cl)ccc1Cl ZINC000101422519 520894309 /nfs/dbraw/zinc/89/43/09/520894309.db2.gz ANZYEVRVEBLSOA-HMMYKYKNSA-N -1 0 392.202 4.092 50 30 GIEARM Cc1ccccc1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1Br ZINC000097465349 525325576 /nfs/dbraw/zinc/32/55/76/525325576.db2.gz CURXZSFJROJCBL-UHFFFAOYSA-N -1 0 388.670 4.104 50 30 GIEARM FC(F)c1n[n-]c(=S)n1N=Cc1ccc(COc2ccccc2Cl)o1 ZINC000002791207 526269656 /nfs/dbraw/zinc/26/96/56/526269656.db2.gz ZEXLVGHPRMCUEE-FBCYGCLPSA-N -1 0 384.795 4.212 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccccc1 ZINC000017145994 526272273 /nfs/dbraw/zinc/27/22/73/526272273.db2.gz STBKEAFJLBFCFD-MRXNPFEDSA-N -1 0 380.400 4.065 50 30 GIEARM O=C([O-])C(Cc1ccccc1)=NNc1nc2ccccc2nc1Cc1ccccc1 ZINC000006240294 570347646 /nfs/dbraw/zinc/34/76/46/570347646.db2.gz IKZPTSSNSZLPCT-QYQHSDTDSA-N -1 0 396.450 4.316 50 30 GIEARM CN(/N=C/c1cc(Br)cc(Br)c1[O-])c1ccccc1 ZINC000004763204 570404398 /nfs/dbraw/zinc/40/43/98/570404398.db2.gz ZLGFQLPXUYLISW-RQZCQDPDSA-N -1 0 384.071 4.388 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000005818992 570458419 /nfs/dbraw/zinc/45/84/19/570458419.db2.gz PDHZKADGEVACCD-MRXNPFEDSA-N -1 0 398.390 4.204 50 30 GIEARM COc1cc(/C=C2\Oc3c(c(Cl)ccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000299738305 570572230 /nfs/dbraw/zinc/57/22/30/570572230.db2.gz SQIQHUUJSYLDLZ-SDQBBNPISA-N -1 0 382.155 4.232 50 30 GIEARM Cc1ccc([O-])c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3Cl)c2)c1 ZINC000003350570 570606348 /nfs/dbraw/zinc/60/63/48/570606348.db2.gz WPXLOPKHGUTDHP-UHFFFAOYSA-N -1 0 399.233 4.261 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1 ZINC000012462012 570670669 /nfs/dbraw/zinc/67/06/69/570670669.db2.gz HJQRAQVDDBYNII-PTGBLXJZSA-N -1 0 375.457 4.309 50 30 GIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000101231749 570817038 /nfs/dbraw/zinc/81/70/38/570817038.db2.gz OHWAHQUPHQIRQW-WOOAAIBNSA-N -1 0 396.874 4.014 50 30 GIEARM O=C([O-])CSC1=CC2=N[C@]34CCCC[C@H]3CC3=C(CCCC3)N4C2=CC1=O ZINC000002109718 570949841 /nfs/dbraw/zinc/94/98/41/570949841.db2.gz WPYJKQMHFATMFE-QKKBWIMNSA-N -1 0 384.501 4.030 50 30 GIEARM [O-]c1c(Br)cc(Br)cc1/C=N/c1ccc2c(c1)OCO2 ZINC000013123296 210051742 /nfs/dbraw/zinc/05/17/42/210051742.db2.gz ZXNDKJXTMSKJKM-UBKPWBPPSA-N -1 0 399.038 4.397 50 30 GIEARM O=c1c(Cc2ccccc2)c2nn[n-]n2c2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000002469577 209366544 /nfs/dbraw/zinc/36/65/44/209366544.db2.gz YLIIJLSGDPBOGK-HXUWFJFHSA-N -1 0 396.494 4.348 50 30 GIEARM CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000001791111 209339948 /nfs/dbraw/zinc/33/99/48/209339948.db2.gz KSVNIPMBDPMUPQ-UFFVCSGVSA-N -1 0 376.243 4.244 50 30 GIEARM Oc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1C1CCCCC1 ZINC000001475372 209330393 /nfs/dbraw/zinc/33/03/93/209330393.db2.gz MIZWXMCMOPAWGQ-RQZCQDPDSA-N -1 0 381.299 4.339 50 30 GIEARM C=C(C)[C@@H]1CC=C(/C=N/n2c([O-])nc3c4cc(Cl)ccc4[nH]c3c2=O)CC1 ZINC000008768992 221056627 /nfs/dbraw/zinc/05/66/27/221056627.db2.gz NNCVNBRMBRECBB-HKXVIOCSSA-N -1 0 382.851 4.373 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccccc1O ZINC000100149564 520899241 /nfs/dbraw/zinc/89/92/41/520899241.db2.gz MQCFIIDIABTEOH-PTGBLXJZSA-N -1 0 391.456 4.015 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(F)cc1 ZINC000100507570 520899389 /nfs/dbraw/zinc/89/93/89/520899389.db2.gz SMRFYLNIQUDDIT-HAVVHWLPSA-N -1 0 379.420 4.140 50 30 GIEARM CC[C@@H](C)C(=O)NC([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F ZINC000002257054 521912204 /nfs/dbraw/zinc/91/22/04/521912204.db2.gz MESJHMGNYRMVJJ-SSDOTTSWSA-N -1 0 378.263 4.360 50 30 GIEARM COCCN1C(=O)C(=O)C(=C([O-])c2ccc(C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102874559 523788998 /nfs/dbraw/zinc/78/89/98/523788998.db2.gz NZCSUTDUEAEMHD-JBCNATCCSA-N -1 0 393.483 4.187 50 30 GIEARM C=CCSc1nnc([N-]C(=O)c2cc(-c3ccc(OCC)cc3)on2)s1 ZINC000011915151 570234366 /nfs/dbraw/zinc/23/43/66/570234366.db2.gz MDMURSRGAFIZDO-UHFFFAOYSA-N -1 0 388.474 4.122 50 30 GIEARM COc1cc(C=NNc2ccccc2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000004509011 570380163 /nfs/dbraw/zinc/38/01/63/570380163.db2.gz JZJJQTARSCYCGP-OEAKJJBVSA-N -1 0 376.412 4.418 50 30 GIEARM FC(F)c1n[n-]c(=S)n1N=Cc1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000035678966 570412557 /nfs/dbraw/zinc/41/25/57/570412557.db2.gz RHCAKZVPTWAFSF-ZVBGSRNCSA-N -1 0 390.415 4.047 50 30 GIEARM CC(=O)c1ccc(N=Nc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1 ZINC000006074080 570465619 /nfs/dbraw/zinc/46/56/19/570465619.db2.gz LRDDBAJOQUHVPE-LVWGJNHUSA-N -1 0 382.423 4.108 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000008744079 570539378 /nfs/dbraw/zinc/53/93/78/570539378.db2.gz TZCGCHWXLVDELK-LJQANCHMSA-N -1 0 392.411 4.482 50 30 GIEARM N#Cc1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CCC4)o3)s2)c1 ZINC000065004426 570644455 /nfs/dbraw/zinc/64/44/55/570644455.db2.gz UCBYFCAECYVOJE-UHFFFAOYSA-N -1 0 385.470 4.343 50 30 GIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccco2)sc1C ZINC000005800390 570693476 /nfs/dbraw/zinc/69/34/76/570693476.db2.gz SJERAQNRLPBFHF-MRXNPFEDSA-N -1 0 398.415 4.275 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccccc2)no1 ZINC000005800513 570693513 /nfs/dbraw/zinc/69/35/13/570693513.db2.gz YFOIZDJRBJUDFX-SFHVURJKSA-N -1 0 394.814 4.419 50 30 GIEARM CCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cccc(C#N)c1 ZINC000007505335 570860226 /nfs/dbraw/zinc/86/02/26/570860226.db2.gz WWEZCLAOVJYURQ-UHFFFAOYSA-N -1 0 384.379 4.167 50 30 GIEARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1C=Nc1ccc(N2CCOCC2)cc1 ZINC000252589956 570997642 /nfs/dbraw/zinc/99/76/42/570997642.db2.gz AOSVQKGYMXKQGE-UHFFFAOYSA-N -1 0 389.839 4.158 50 30 GIEARM O=[N+]([O-])c1cc(/C=N/c2cc(-c3ccccc3)ccc2O)c([O-])c([N+](=O)[O-])c1 ZINC000001885585 212258145 /nfs/dbraw/zinc/25/81/45/212258145.db2.gz GACVQTAUEGSABK-RGVLZGJSSA-N -1 0 379.328 4.332 50 30 GIEARM O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Cl)cc2)C1=C([O-])c1ccco1 ZINC000009763889 212239684 /nfs/dbraw/zinc/23/96/84/212239684.db2.gz HSHITRVZFSOVCY-QGZVFWFLSA-N -1 0 380.787 4.111 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@H]2c2cccc(Cl)c2)no1 ZINC000009243968 212169944 /nfs/dbraw/zinc/16/99/44/212169944.db2.gz SINSFKMHUYOLBZ-QGZVFWFLSA-N -1 0 398.802 4.321 50 30 GIEARM C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)SC1=S ZINC000004687812 212079196 /nfs/dbraw/zinc/07/91/96/212079196.db2.gz AQEXHUUGPLXJMY-BOPFTXTBSA-N -1 0 398.509 4.180 50 30 GIEARM C=CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c([O-])c2ccccc21 ZINC000005444042 212081369 /nfs/dbraw/zinc/08/13/69/212081369.db2.gz JZAMXVCNEIAEMX-UHFFFAOYSA-N -1 0 389.238 4.452 50 30 GIEARM N#Cc1c(NC(=O)CCSCc2ccc(C(=O)[O-])cc2)sc2c1CCC2 ZINC000025058546 221625583 /nfs/dbraw/zinc/62/55/83/221625583.db2.gz WANRSCOEMWLMID-UHFFFAOYSA-N -1 0 386.498 4.069 50 30 GIEARM C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000013590117 518848014 /nfs/dbraw/zinc/84/80/14/518848014.db2.gz GMPMWBLDTHKKBD-VEGAHXMMSA-N -1 0 380.469 4.053 50 30 GIEARM C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000097464859 519015003 /nfs/dbraw/zinc/01/50/03/519015003.db2.gz CIJSYBNENWUONX-VJGKAAADSA-N -1 0 394.452 4.183 50 30 GIEARM C=CCn1c(=O)c2ccc(C(=O)NC[C@@H](CC)c3ccccc3)cc2[n-]c1=S ZINC000018153202 519159772 /nfs/dbraw/zinc/15/97/72/519159772.db2.gz PFULIVKFPAJHPO-OAHLLOKOSA-N -1 0 393.512 4.169 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccccc2F)no1 ZINC000102865862 525046341 /nfs/dbraw/zinc/04/63/41/525046341.db2.gz HXSBSDKWKCMLNF-LFVOPCPISA-N -1 0 392.386 4.057 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2ccc(C)cc2)no1 ZINC000102708907 525047530 /nfs/dbraw/zinc/04/75/30/525047530.db2.gz LQRVYCAMUJLBOD-WOOAAIBNSA-N -1 0 392.386 4.057 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccco3)[C@H]2c2ccc(C(C)C)cc2)no1 ZINC000102803422 525048036 /nfs/dbraw/zinc/04/80/36/525048036.db2.gz INIXGNKOJMPMQS-LFVOPCPISA-N -1 0 392.411 4.326 50 30 GIEARM O=C([O-])c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000019771666 526373090 /nfs/dbraw/zinc/37/30/90/526373090.db2.gz VYXBOGPOYSXETO-FQEVSTJZSA-N -1 0 399.402 4.168 50 30 GIEARM Cc1ccc2nc3[n-]c(NN=Cc4ccc(Br)cc4)nnc-3c2c1 ZINC000004611303 570387346 /nfs/dbraw/zinc/38/73/46/570387346.db2.gz CYLLHCVERKGLGF-DJKKODMXSA-N -1 0 381.237 4.023 50 30 GIEARM Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O[C@H](C)C(=O)[O-])cc3)S2)cc1C ZINC000004704682 570395736 /nfs/dbraw/zinc/39/57/36/570395736.db2.gz FMYMPDJDGGURKI-XWAFYUISSA-N -1 0 396.468 4.047 50 30 GIEARM CC(=NNc1nnc2c3ccccc3nc-2[n-]1)c1cccc(Br)c1 ZINC000004750948 570402755 /nfs/dbraw/zinc/40/27/55/570402755.db2.gz WATCJOJBJBBRCP-UFFVCSGVSA-N -1 0 381.237 4.105 50 30 GIEARM CC1(C)CC(=O)C2=C(C1)OC(=O)C[C@@H]2c1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000524729322 570420581 /nfs/dbraw/zinc/42/05/81/570420581.db2.gz OGFJXRVPMQRGDU-CQSZACIVSA-N -1 0 380.396 4.319 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccc(C)cc2)no1 ZINC000006565358 570479226 /nfs/dbraw/zinc/47/92/26/570479226.db2.gz JZYVVQJSORNNFU-LJQANCHMSA-N -1 0 392.386 4.213 50 30 GIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2ccco2)sc1C ZINC000006812803 570494852 /nfs/dbraw/zinc/49/48/52/570494852.db2.gz SZTDNHPONXAGOX-CQSZACIVSA-N -1 0 386.454 4.197 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000005482662 570610399 /nfs/dbraw/zinc/61/03/99/570610399.db2.gz DQYAHWDMAZWMIY-UXHICEINSA-N -1 0 376.847 4.121 50 30 GIEARM Cc1cc(Cl)c(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)c(Cl)c1 ZINC000000849596 570661797 /nfs/dbraw/zinc/66/17/97/570661797.db2.gz QOHZFJMBRWMZPI-AWQFTUOYSA-N -1 0 382.272 4.096 50 30 GIEARM O=C([O-])CSC1=CC2=N[C@]34CCCC[C@@H]3CC3=C(CCCC3)N4C2=CC1=O ZINC000002109719 570949818 /nfs/dbraw/zinc/94/98/18/570949818.db2.gz WPYJKQMHFATMFE-SZNDQCEHSA-N -1 0 384.501 4.030 50 30 GIEARM CC[C@H](C)[NH+]=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000108439502 570989012 /nfs/dbraw/zinc/98/90/12/570989012.db2.gz GISAQIXBQRRWCH-JNKZXVPYSA-N -1 0 382.411 4.402 50 30 GIEARM C=CCOc1ccc(/C=C2/SC(=Nc3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1 ZINC000252596331 571003822 /nfs/dbraw/zinc/00/38/22/571003822.db2.gz CIJSYBNENWUONX-CTNAHEIOSA-N -1 0 394.452 4.183 50 30 GIEARM Cc1c(N=Cc2cc(Cl)cc(Cl)c2[O-])c(=O)n(-c2ccccc2)n1C ZINC000252603457 571006403 /nfs/dbraw/zinc/00/64/03/571006403.db2.gz FRQSUDDXTDAWPP-UHFFFAOYSA-N -1 0 376.243 4.247 50 30 GIEARM CCOc1cc(/C=C/C(=O)c2ccc(SCC(=O)[O-])c(F)c2)ccc1OC ZINC000013062768 818201723 /nfs/dbraw/zinc/20/17/23/818201723.db2.gz LGUCSPHZGFCHDH-QPJJXVBHSA-N -1 0 390.432 4.306 50 30 GIEARM N#Cc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc1 ZINC000040286763 821156700 /nfs/dbraw/zinc/15/67/00/821156700.db2.gz XMAHNCSCQVOOLL-INIZCTEOSA-N -1 0 375.359 4.310 50 30 GIEARM N#Cc1c(=O)[n-]c(SCC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000001106211 212217821 /nfs/dbraw/zinc/21/78/21/212217821.db2.gz PLQKZXQQLALJNC-UHFFFAOYSA-N -1 0 396.859 4.105 50 30 GIEARM COC(=O)c1cccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1C(=O)OC ZINC000001026729 212205326 /nfs/dbraw/zinc/20/53/26/212205326.db2.gz QMBCMLATMBAFPI-DNTJNYDQSA-N -1 0 382.199 4.023 50 30 GIEARM COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)[O-])n2)cc1 ZINC000000722084 212178561 /nfs/dbraw/zinc/17/85/61/212178561.db2.gz PORPGZWBHAMTPH-UHFFFAOYSA-N -1 0 376.437 4.473 50 30 GIEARM CC(=O)N(C)c1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1 ZINC000000674802 212172720 /nfs/dbraw/zinc/17/27/20/212172720.db2.gz CUZFTHZSFRXCJH-UHFFFAOYSA-N -1 0 399.450 4.203 50 30 GIEARM C=CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)SC1=S ZINC000013880984 212098870 /nfs/dbraw/zinc/09/88/70/212098870.db2.gz MTIAVGJDWUUACF-YBEGLDIGSA-N -1 0 385.466 4.340 50 30 GIEARM Cc1c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cccc1[N+](=O)[O-] ZINC000003148209 220606729 /nfs/dbraw/zinc/60/67/29/220606729.db2.gz ARXVCIGREMPHHF-FRKPEAEDSA-N -1 0 380.154 4.030 50 30 GIEARM CCCCCCCCCCCCN([C@@H](CCSC)C(=O)[O-])S(C)(=O)=O ZINC000101172570 222468594 /nfs/dbraw/zinc/46/85/94/222468594.db2.gz IJKOQLNJXRAVFP-KRWDZBQOSA-N -1 0 395.631 4.375 50 30 GIEARM C=CCc1cccc(C=Nn2c(-c3ccc(OCC)cc3)n[n-]c2=S)c1O ZINC000001479034 519141750 /nfs/dbraw/zinc/14/17/50/519141750.db2.gz MPHQDEQOSBPHIX-FYJGNVAPSA-N -1 0 380.473 4.323 50 30 GIEARM CC(=O)Nc1ccc(/C=C2\CCc3cc(OC(C)(C)C(=O)[O-])ccc3C2=O)cc1 ZINC000098055715 519709230 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30 GIEARM CC(C)CC(=O)NC([N-]c1ccc(F)cc1F)(C(F)(F)F)C(F)(F)F ZINC000003103213 570328364 /nfs/dbraw/zinc/32/83/64/570328364.db2.gz OETVREQTKQDLGD-UHFFFAOYSA-N -1 0 378.263 4.360 50 30 GIEARM O=C([O-])/C=C/C(=O)Nc1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000003210269 570332741 /nfs/dbraw/zinc/33/27/41/570332741.db2.gz UUJSQLOXJSGEPC-AATRIKPKSA-N -1 0 391.264 4.148 50 30 GIEARM Cc1c(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000004616771 570387958 /nfs/dbraw/zinc/38/79/58/570387958.db2.gz IALUBQIWVZQBER-UHFFFAOYSA-N -1 0 387.395 4.437 50 30 GIEARM O=C([O-])c1ccc(Cl)c(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)c1 ZINC000004712083 570396875 /nfs/dbraw/zinc/39/68/75/570396875.db2.gz KIZZFQSXCFUKOP-AWQFTUOYSA-N -1 0 386.751 4.047 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccccc2F)no1 ZINC000006412876 570405464 /nfs/dbraw/zinc/40/54/64/570405464.db2.gz CBEDLAYJQPOKGN-GOSISDBHSA-N -1 0 396.349 4.044 50 30 GIEARM O=C([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1 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Cc1c(C=Cc2cn(-c3ccccc3)nc2-c2cccs2)n[n-]c(=O)c1C#N ZINC000007324821 817818246 /nfs/dbraw/zinc/81/82/46/817818246.db2.gz XPADJJULDKZCRB-MDZDMXLPSA-N -1 0 385.452 4.035 50 30 GIEARM Cc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2O)cc1 ZINC000001244774 212232488 /nfs/dbraw/zinc/23/24/88/212232488.db2.gz SASLVJQXVYKIMV-GIJQJNRQSA-N -1 0 389.278 4.266 50 30 GIEARM COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCC(=O)[O-])n2)cc1 ZINC000000796132 212182028 /nfs/dbraw/zinc/18/20/28/212182028.db2.gz DKGPIROMWUBORI-UHFFFAOYSA-N -1 0 382.363 4.214 50 30 GIEARM Cc1ccc(C(=O)/C=C/c2cc(Br)cc3c2OCOC3)c([O-])c1 ZINC000004040014 212146761 /nfs/dbraw/zinc/14/67/61/212146761.db2.gz MHFBNAPTWBHTGJ-HWKANZROSA-N -1 0 375.218 4.226 50 30 GIEARM C=CCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000002113781 212101471 /nfs/dbraw/zinc/10/14/71/212101471.db2.gz MHEVBUWRBHZQBI-QGZVFWFLSA-N -1 0 392.440 4.018 50 30 GIEARM C=CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000004704522 212080074 /nfs/dbraw/zinc/08/00/74/212080074.db2.gz WDALTEKTMBZAHW-DEDYPNTBSA-N -1 0 399.450 4.111 50 30 GIEARM C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003884870 212078377 /nfs/dbraw/zinc/07/83/77/212078377.db2.gz ZPEKJFYBCQQDAK-UHFFFAOYSA-N -1 0 386.256 4.073 50 30 GIEARM COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(Br)cc2)c1 ZINC000005932607 220909412 /nfs/dbraw/zinc/90/94/12/220909412.db2.gz RUOBLZRUSVACAT-VCHYOVAHSA-N -1 0 389.278 4.261 50 30 GIEARM CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])COP(=O)([O-])[O-] ZINC000008860500 221061415 /nfs/dbraw/zinc/06/14/15/221061415.db2.gz DUYSYHSSBDVJSM-KRWOKUGFSA-N -1 0 379.478 4.041 50 30 endogenous,in-man GIEARM C=CCN1C(=O)[C@@H](Cc2cccc(C)c2)S/C1=N/c1ccc(C(=O)[O-])cc1 ZINC000013617447 221277069 /nfs/dbraw/zinc/27/70/69/221277069.db2.gz FXKAWMNMNUOWAV-KHOFPDMRSA-N -1 0 380.469 4.053 50 30 GIEARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C#N)cc2C)s1 ZINC000071975973 222201962 /nfs/dbraw/zinc/20/19/62/222201962.db2.gz FLKDVFJPSUCPGY-UHFFFAOYSA-N -1 0 385.470 4.225 50 30 GIEARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O1 ZINC000033470962 520852017 /nfs/dbraw/zinc/85/20/17/520852017.db2.gz MNYWLRDZNAUTGK-VDNIUXDYSA-N -1 0 391.206 4.482 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(F)cc1 ZINC000013550124 520899227 /nfs/dbraw/zinc/89/92/27/520899227.db2.gz SMRFYLNIQUDDIT-QJOMJCCJSA-N -1 0 379.420 4.140 50 30 GIEARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C)cc1 ZINC000100510710 520899567 /nfs/dbraw/zinc/89/95/67/520899567.db2.gz PQRPVFNMSISUAW-PTGBLXJZSA-N -1 0 375.457 4.309 50 30 GIEARM Cc1cccc(N=Nc2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c2=O)c1 ZINC000100532563 524530336 /nfs/dbraw/zinc/53/03/36/524530336.db2.gz YGBMLCRDBGARPL-FLFQWRMESA-N -1 0 399.410 4.122 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccccc2F)no1 ZINC000013208048 525051199 /nfs/dbraw/zinc/05/11/99/525051199.db2.gz WYWMRGCVHBJYLY-LJQANCHMSA-N -1 0 392.386 4.213 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2ccccc2Oc2ccccc2)n1 ZINC000006607495 526400901 /nfs/dbraw/zinc/40/09/01/526400901.db2.gz CNSRLJDXKDMUGT-KRWDZBQOSA-N -1 0 392.436 4.277 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)c2sc3cccc(F)c3c2C)n1 ZINC000006606675 526426476 /nfs/dbraw/zinc/42/64/76/526426476.db2.gz MYRBDNNYCMTZRR-LLVKDONJSA-N -1 0 388.445 4.147 50 30 GIEARM Cc1csc(C(C#N)=C([O-])COC(=O)C=Cc2cccc(Cl)c2Cl)n1 ZINC000007814137 526426490 /nfs/dbraw/zinc/42/64/90/526426490.db2.gz DOCGLCLQGQXYQJ-BTDICHCPSA-N -1 0 395.267 4.191 50 30 GIEARM O=C1C(=O)N(Cc2ccco2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccccc1 ZINC000102927067 526955594 /nfs/dbraw/zinc/95/55/94/526955594.db2.gz JUYWBZVJRYHARF-WOOAAIBNSA-N -1 0 377.371 4.041 50 30 GIEARM O=C1c2ccccc2C2=C1[C@@H](c1cc([N+](=O)[O-])ccc1[O-])C1=C(CCCC1=O)N2 ZINC000102930657 527131903 /nfs/dbraw/zinc/13/19/03/527131903.db2.gz MLVQOHZSCCVBIG-SFHVURJKSA-N -1 0 388.379 4.442 50 30 GIEARM O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(Cl)c1 ZINC000012348018 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CCc1nc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)[n-]c(=O)c1C#N ZINC000005238951 570523220 /nfs/dbraw/zinc/52/32/20/570523220.db2.gz PWMBWECAMRHFBI-UHFFFAOYSA-N -1 0 398.532 4.182 50 30 GIEARM COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccccc4)c3=O)n2)cc1 ZINC000012413047 570656462 /nfs/dbraw/zinc/65/64/62/570656462.db2.gz SBGWDNICTVSAOW-NKFKGCMQSA-N -1 0 391.456 4.009 50 30 GIEARM Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)o1 ZINC000013689940 570668457 /nfs/dbraw/zinc/66/84/57/570668457.db2.gz VIZHZBFWIGUVBJ-KRWDZBQOSA-N -1 0 394.452 4.444 50 30 GIEARM O=C([O-])CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 ZINC000012652590 570695431 /nfs/dbraw/zinc/69/54/31/570695431.db2.gz ZUQORNFFLPDYLV-NRFANRHFSA-N -1 0 396.468 4.120 50 30 GIEARM O=C(C=Cc1ccc(Cl)cc1)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000060361639 570700870 /nfs/dbraw/zinc/70/08/70/570700870.db2.gz PVZUAJVDUAXCKY-BJMVGYQFSA-N -1 0 390.823 4.386 50 30 GIEARM CCOC(=O)N=c1[n-]nc(SCC(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000032891716 570889387 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50 30 GIEARM CCCCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002740686 519966280 /nfs/dbraw/zinc/96/62/80/519966280.db2.gz KFFTZJOQEVBEDA-UHFFFAOYSA-N -1 0 381.523 4.243 50 30 GIEARM COC(=O)c1ccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)cc1 ZINC000005859386 521940943 /nfs/dbraw/zinc/94/09/43/521940943.db2.gz PJTFOZFWDWIUDW-CIAFOILYSA-N -1 0 396.472 4.064 50 30 GIEARM CCc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(C)s3)cc2)s1 ZINC000100005156 522779379 /nfs/dbraw/zinc/77/93/79/522779379.db2.gz JFYHHWFZZFXNEP-LICLKQGHSA-N -1 0 392.531 4.022 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)no1 ZINC000009359653 525049142 /nfs/dbraw/zinc/04/91/42/525049142.db2.gz GNNPBWSUBLXILD-LJQANCHMSA-N -1 0 392.386 4.213 50 30 GIEARM FC(F)c1n[n-]c(=S)n1N=Cc1ccc(COc2cccc(Cl)c2)o1 ZINC000002791356 526270066 /nfs/dbraw/zinc/27/00/66/526270066.db2.gz JQFCRAPJWMPXLQ-FBCYGCLPSA-N -1 0 384.795 4.212 50 30 GIEARM Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2ccco2)sc1C ZINC000102798782 526961982 /nfs/dbraw/zinc/96/19/82/526961982.db2.gz KQWHWYNCKWVMKR-IBOXJLQUSA-N -1 0 398.415 4.118 50 30 GIEARM O=C1CCCC2=C1C(c1cc(Cl)c([O-])c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000019809817 526966555 /nfs/dbraw/zinc/96/65/55/526966555.db2.gz USBPCTTWAKZVDM-UHFFFAOYSA-N -1 0 378.255 4.400 50 30 GIEARM CC(C)C(O)=C1C(=O)C(=O)N(c2cccc(C(=O)[O-])c2)[C@H]1c1cccc(Cl)c1 ZINC000057878111 527455695 /nfs/dbraw/zinc/45/56/95/527455695.db2.gz OBCRZQDLHZWIGQ-KRWDZBQOSA-N -1 0 399.830 4.163 50 30 GIEARM Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O[C@@H](C)C(=O)[O-])cc3)S2)cc1C ZINC000004704681 570395738 /nfs/dbraw/zinc/39/57/38/570395738.db2.gz FMYMPDJDGGURKI-BGARDKSCSA-N -1 0 396.468 4.047 50 30 GIEARM O=c1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc(-c2ccccc2)[n-]1 ZINC000002048908 570586811 /nfs/dbraw/zinc/58/68/11/570586811.db2.gz KCZXOUCOUNFADI-UHFFFAOYSA-N -1 0 390.205 4.362 50 30 GIEARM [O-]c1c(Br)cc(Cl)cc1/C=N/c1ccccc1N1CCOCC1 ZINC000004608526 570662964 /nfs/dbraw/zinc/66/29/64/570662964.db2.gz YBKMROOTRXRBHC-RGVLZGJSSA-N -1 0 395.684 4.395 50 30 GIEARM Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000012938991 570980461 /nfs/dbraw/zinc/98/04/61/570980461.db2.gz PNFXMIKAJNNUED-CLVCIHKQSA-N -1 0 390.439 4.237 50 30 GIEARM Cc1ccc(O)c(C(=O)/C=C/c2cc(Br)cc3c2OCOC3)c1 ZINC000004024658 817497177 /nfs/dbraw/zinc/49/71/77/817497177.db2.gz VNPPMVHBQZPIFM-HWKANZROSA-N -1 0 375.218 4.226 50 30 GIEARM C[C@@H](Oc1ccc(C(=O)/C=C/c2ccc(Br)cc2)cc1)C(=O)[O-] ZINC000006510695 817698744 /nfs/dbraw/zinc/69/87/44/817698744.db2.gz WVJONGWPMYKBRJ-KBVBDRTLSA-N -1 0 375.218 4.197 50 30 GIEARM COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)ccc1OCC#N ZINC000035684979 821066748 /nfs/dbraw/zinc/06/67/48/821066748.db2.gz RPEAJYILJIFWKW-UVTDQMKNSA-N -1 0 380.425 4.223 50 30 GIEARM C=CCN1C(=O)S/C(=C/c2ccccc2OCc2cccc(C(=O)[O-])c2)C1=O ZINC000013881645 212098061 /nfs/dbraw/zinc/09/80/61/212098061.db2.gz ZNFZGPFQONNYSM-LDADJPATSA-N -1 0 395.436 4.186 50 30 GIEARM CCc1ccc(C=Nn2c(=S)[n-]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000005961653 523875273 /nfs/dbraw/zinc/87/52/73/523875273.db2.gz MVAHRYUOUVDSAX-CIAFOILYSA-N -1 0 398.488 4.078 50 30 GIEARM COc1ccccc1-c1cnnc(N=NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000004660097 524275038 /nfs/dbraw/zinc/27/50/38/524275038.db2.gz NWUUUCXUWKHYSP-DNTJNYDQSA-N -1 0 390.230 4.006 50 30 GIEARM COc1ccc(OC)c(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)c1 ZINC000005916310 524870778 /nfs/dbraw/zinc/87/07/78/524870778.db2.gz FKHZUXVJEAYYKR-UHFFFAOYSA-N -1 0 388.423 4.238 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(C)o3)[C@@H]2c2ccc(Cl)cc2)no1 ZINC000017821668 526028815 /nfs/dbraw/zinc/02/88/15/526028815.db2.gz UTZLKZVDKGBIGT-KRWDZBQOSA-N -1 0 398.802 4.321 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccccc2F)C1=C([O-])c1ccccc1 ZINC000017920874 526272147 /nfs/dbraw/zinc/27/21/47/526272147.db2.gz QHSLSHKPVHUUOP-MRXNPFEDSA-N -1 0 380.400 4.065 50 30 GIEARM C=CCOc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)[O-])C1=O ZINC000002381887 570253170 /nfs/dbraw/zinc/25/31/70/570253170.db2.gz TZTHMMYDPNOUBY-DTQAZKPQSA-N -1 0 391.514 4.098 50 30 GIEARM CCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])c1 ZINC000004499450 570379718 /nfs/dbraw/zinc/37/97/18/570379718.db2.gz NIGFUQAWVNTRNG-GIJQJNRQSA-N -1 0 379.210 4.472 50 30 GIEARM O=[N+]([O-])c1ccc(-c2ccc(C=NNc3nnc4c5ccccc5nc-4[n-]3)o2)cc1 ZINC000004587358 570385893 /nfs/dbraw/zinc/38/58/93/570385893.db2.gz KHPMEKXYQOBSGK-SRZZPIQSSA-N -1 0 399.370 4.120 50 30 GIEARM Cc1nn(-c2ccccc2)c(Cl)c1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000005072587 570412878 /nfs/dbraw/zinc/41/28/78/570412878.db2.gz VMZPBDAZUVNDHX-OAHLLOKOSA-N -1 0 389.846 4.211 50 30 GIEARM COc1cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000006433273 570418062 /nfs/dbraw/zinc/41/80/62/570418062.db2.gz XATUACFTVXIDJS-XBXARRHUSA-N -1 0 380.318 4.074 50 30 GIEARM Cc1cc(C)nc(C(C#N)=C([O-])c2nn(-c3ccccc3)c3c2CCCCC3)n1 ZINC000126351403 570454814 /nfs/dbraw/zinc/45/48/14/570454814.db2.gz IPWKTLCWVGMGPU-IBGZPJMESA-N -1 0 385.471 4.038 50 30 GIEARM Cc1[n-]n(Cc2ccccc2)c(=O)c1[C@H](c1cccc(Cl)c1)C(C#N)C#N ZINC000005482664 570610407 /nfs/dbraw/zinc/61/04/07/570610407.db2.gz DQYAHWDMAZWMIY-WOJBJXKFSA-N -1 0 376.847 4.121 50 30 GIEARM CCCOc1ccc(/C=N/N(C)c2cc(C)nc(-c3ccccc3[O-])n2)c(O)c1 ZINC000004697417 570636199 /nfs/dbraw/zinc/63/61/99/570636199.db2.gz VDCHLVRPLARJCZ-OEAKJJBVSA-N -1 0 392.459 4.122 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1 ZINC000005800503 570693521 /nfs/dbraw/zinc/69/35/21/570693521.db2.gz NJMZZWXAPVEWRF-GOSISDBHSA-N -1 0 394.814 4.419 50 30 GIEARM CCOC(=O)c1ccc(N=NCc2cc(Cl)cc(Cl)c2[O-])c([N+](=O)[O-])c1 ZINC000004519742 570830394 /nfs/dbraw/zinc/83/03/94/570830394.db2.gz OKAHKFQRSAXIQN-UFWORHAWSA-N -1 0 398.202 4.230 50 30 GIEARM C=CCn1c2ccccc2c([O-])c(-c2nc(-c3ccccc3OCC)no2)c1=O ZINC000101725264 570831209 /nfs/dbraw/zinc/83/12/09/570831209.db2.gz YBSJGICEFJPGMD-UHFFFAOYSA-N -1 0 389.411 4.009 50 30 GIEARM N#CC(C(=O)C1=NO[C@@H](c2ccccc2)C1)=C([O-])c1c[nH]c2cc(Cl)ccc12 ZINC000104107117 570895354 /nfs/dbraw/zinc/89/53/54/570895354.db2.gz LELOCRZOKWHBRP-DNVCBOLYSA-N -1 0 391.814 4.230 50 30 GIEARM O=C1C(=O)N(c2nccs2)[C@H](c2ccc(F)cc2)C1=C([O-])c1ccc(F)cc1 ZINC000104197977 570898087 /nfs/dbraw/zinc/89/80/87/570898087.db2.gz SNEHGHGYMDUGQA-IBOXJLQUSA-N -1 0 398.390 4.048 50 30 GIEARM COc1ccccc1-c1n[n-]c(=S)n1N=Cc1c(O)ccc2ccccc21 ZINC000002509431 570965841 /nfs/dbraw/zinc/96/58/41/570965841.db2.gz JUZSXCUDTUKBBB-CIAFOILYSA-N -1 0 376.441 4.357 50 30 GIEARM C[C@@H]1Sc2ccc(C([O-])=C(C#N)c3nc4ccccc4s3)cc2NC1=O ZINC000040089600 821134851 /nfs/dbraw/zinc/13/48/51/821134851.db2.gz OBQKBUDHOCUBEY-JQWIXIFHSA-N -1 0 379.466 4.219 50 30 GIEARM CCOC(=O)Nc1cccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1 ZINC000041554197 821208362 /nfs/dbraw/zinc/20/83/62/821208362.db2.gz ZBQFDKRNBKGXDD-AWEZNQCLSA-N -1 0 377.322 4.159 50 30 GIEARM C=CCN1C(=O)[C@H](Cc2cccc(C)c2)S/C1=N\c1ccc(C(=O)[O-])cc1 ZINC000001229759 212230523 /nfs/dbraw/zinc/23/05/23/212230523.db2.gz FXKAWMNMNUOWAV-ZREAOVPFSA-N -1 0 380.469 4.053 50 30 GIEARM N#Cc1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000000779455 212180574 /nfs/dbraw/zinc/18/05/74/212180574.db2.gz CEHZPXULSNRIGE-STQMWFEESA-N -1 0 378.881 4.061 50 30 GIEARM COc1cc(/C=C/C(=O)c2cc(Br)ccc2[O-])cc(OC)c1OC ZINC000004042345 212145520 /nfs/dbraw/zinc/14/55/20/212145520.db2.gz VNKAECNTPNCCBO-GQCTYLIASA-N -1 0 393.233 4.077 50 30 GIEARM CCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N\c1cccc(C(=O)[O-])c1 ZINC000016681899 221367452 /nfs/dbraw/zinc/36/74/52/221367452.db2.gz VQPKCKYHHVTWJN-RRZDCZAYSA-N -1 0 382.441 4.017 50 30 GIEARM C=CCN1C(=O)C(=O)C(=C([O-])c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000101231746 222469313 /nfs/dbraw/zinc/46/93/13/222469313.db2.gz OHWAHQUPHQIRQW-LFVOPCPISA-N -1 0 396.874 4.014 50 30 GIEARM C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2[O-])SC1=S ZINC000015011395 518832281 /nfs/dbraw/zinc/83/22/81/518832281.db2.gz YHZLEYJHGNBPKA-BJMVGYQFSA-N -1 0 390.711 4.195 50 30 GIEARM C=CCn1c(=O)c2ccc(C(=O)NC[C@H](CC)c3ccccc3)cc2[n-]c1=S ZINC000018153201 519159844 /nfs/dbraw/zinc/15/98/44/519159844.db2.gz PFULIVKFPAJHPO-HNNXBMFYSA-N -1 0 393.512 4.169 50 30 GIEARM CCOc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)[O-])cc2)N(C)C1=O ZINC000018137715 521448916 /nfs/dbraw/zinc/44/89/16/521448916.db2.gz ZWAYCVWJWNOSMT-WIQPNEMMSA-N -1 0 382.441 4.017 50 30 GIEARM CCc1n[n-]c(=S)n1N=Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000005445043 522129416 /nfs/dbraw/zinc/12/94/16/522129416.db2.gz RUPBUHZGVFQJQB-KGENOOAVSA-N -1 0 382.489 4.015 50 30 GIEARM CCc1n[n-]c(=S)n1N=Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000005576563 522129579 /nfs/dbraw/zinc/12/95/79/522129579.db2.gz XZCQYKBBDSKSFE-SRZZPIQSSA-N -1 0 386.452 4.112 50 30 GIEARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100815790 525615725 /nfs/dbraw/zinc/61/57/25/525615725.db2.gz RKXYCCSNGOPIRU-KGENOOAVSA-N -1 0 395.440 4.455 50 30 GIEARM COc1cccc(C=Nn2c(=S)[n-]nc2-c2cccc(OC(C)C)c2)c1OC ZINC000009332418 525775294 /nfs/dbraw/zinc/77/52/94/525775294.db2.gz HQPVGIOZDALHKK-CIAFOILYSA-N -1 0 398.488 4.294 50 30 GIEARM O=C(c1ccccc1)C1=C([O-])c2ccccc2S(=O)(=O)N1Cc1ccccc1 ZINC000020546549 570266997 /nfs/dbraw/zinc/26/69/97/570266997.db2.gz DNFJTXYJHUNVRO-UHFFFAOYSA-N -1 0 391.448 4.001 50 30 GIEARM O=C([O-])/C=C/C(=O)Nc1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002597208 570291898 /nfs/dbraw/zinc/29/18/98/570291898.db2.gz PJMJPLPCWSRRDH-AATRIKPKSA-N -1 0 391.264 4.148 50 30 GIEARM COc1ccc(/N=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(OC)c2)cn1 ZINC000004739274 570400517 /nfs/dbraw/zinc/40/05/17/570400517.db2.gz QMYTZYKXCDWDMH-FSJBWODESA-N -1 0 392.411 4.127 50 30 GIEARM Fc1ccc(C=Nn2c(=S)[n-]nc2-c2ccccc2Br)cc1 ZINC000006059915 570465259 /nfs/dbraw/zinc/46/52/59/570465259.db2.gz JHRHSIHQWDYEJN-GIJQJNRQSA-N -1 0 377.242 4.391 50 30 GIEARM Cc1ccc(OCCSc2nc(-c3ccc(C)cc3)c(C#N)c(=O)[n-]2)cc1 ZINC000005238274 570524257 /nfs/dbraw/zinc/52/42/57/570524257.db2.gz DLRASYMSRKMGOT-UHFFFAOYSA-N -1 0 377.469 4.097 50 30 GIEARM Cc1ccccc1N=Nc1c(-c2ccc([N+](=O)[O-])cc2)[n-]n(-c2ccccc2)c1=O ZINC000004616770 570674509 /nfs/dbraw/zinc/67/45/09/570674509.db2.gz DBFKEZZPTLMYAW-DARPEHSRSA-N -1 0 399.410 4.122 50 30 GIEARM Cc1cc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(F)c2)no1 ZINC000005800488 570693405 /nfs/dbraw/zinc/69/34/05/570693405.db2.gz RWUBZBBYHSCLTN-GOSISDBHSA-N -1 0 396.349 4.044 50 30 GIEARM COc1ccc(-c2n[n-]c(=S)n2N=Cc2c(O)ccc3ccccc32)cc1 ZINC000254292033 570736117 /nfs/dbraw/zinc/73/61/17/570736117.db2.gz SRZVXUIGGSFIPX-UHFFFAOYSA-N -1 0 376.441 4.357 50 30 GIEARM CCCc1ccc(S(=O)(=O)[N-]C(=O)CCOc2ccc(OCC)cc2)cc1 ZINC000078564621 570934393 /nfs/dbraw/zinc/93/43/93/570934393.db2.gz JUQPECWQXWGCML-UHFFFAOYSA-N -1 0 391.489 4.152 50 30 GIEARM Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000012938986 570980551 /nfs/dbraw/zinc/98/05/51/570980551.db2.gz PNFXMIKAJNNUED-TUQDCPSNSA-N -1 0 390.439 4.237 50 30 GIEARM O=C(C1=C(O)[C@H](c2ccc(O)cc2)N(c2ccccc2)C1=O)c1cccc(F)c1 ZINC000108800814 570991692 /nfs/dbraw/zinc/99/16/92/570991692.db2.gz KXQYWDQHMAUNTO-FQEVSTJZSA-N -1 0 389.382 4.314 50 30 GIEARM