smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000504054735 974268946 /nfs/dbraw/zinc/26/89/46/974268946.db2.gz FUYQNCNGUCPXQC-UHFFFAOYSA-N -1 2 394.836 3.498 20 30 GGEDLM CC(C)c1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)sc1C(=O)[O-] ZINC001592030522 976737412 /nfs/dbraw/zinc/73/74/12/976737412.db2.gz RSEBLKSWAYDCFR-UHFFFAOYSA-N -1 2 385.854 3.291 20 30 GGEDLM CC(C)(C)c1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)sc1C(=O)[O-] ZINC001590545327 990180649 /nfs/dbraw/zinc/18/06/49/990180649.db2.gz DNOPMMKBYRTOBW-UHFFFAOYSA-N -1 2 399.881 3.465 20 30 GGEDLM CC(C)(C)c1nc(NS(=O)(=O)c2ccc(C#N)cc2Cl)sc1C(=O)[O-] ZINC001590545586 990183538 /nfs/dbraw/zinc/18/35/38/990183538.db2.gz KTTJSDJFDACOMM-UHFFFAOYSA-N -1 2 399.881 3.465 20 30 GGEDLM COc1ccc(-c2nc(SCc3occc3C(=O)[O-])[nH]c(=O)c2C#N)cc1 ZINC001599470471 998441999 /nfs/dbraw/zinc/44/19/99/998441999.db2.gz CFZIYKBSHUIIDL-UHFFFAOYSA-N -1 2 383.385 3.313 20 30 GGEDLM COc1ccc(-c2nc(SCc3cccc(C(=O)[O-])n3)[nH]c(=O)c2C#N)cc1 ZINC001599470682 998445790 /nfs/dbraw/zinc/44/57/90/998445790.db2.gz OWACQVQHBAKEEF-UHFFFAOYSA-N -1 2 394.412 3.115 20 30 GGEDLM N#C[C@H](C(=O)CCSCC(=O)[O-])c1nc(-c2c(F)cccc2F)cs1 ZINC000739076101 599800085 /nfs/dbraw/zinc/80/00/85/599800085.db2.gz YZVGGVGUNOBPLW-SECBINFHSA-N -1 2 382.413 3.472 20 30 GGEDLM COc1ccc(-c2csc([C@@H](C#N)C(=O)CCSCC(=O)[O-])n2)cc1 ZINC000737910120 599800197 /nfs/dbraw/zinc/80/01/97/599800197.db2.gz SRQPIQUNDIKPSD-ZDUSSCGKSA-N -1 2 376.459 3.203 20 30 GGEDLM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000739092734 600395404 /nfs/dbraw/zinc/39/54/04/600395404.db2.gz ITEHUVYCTZBRKV-UHFFFAOYSA-N -1 2 376.337 3.138 20 30 GGEDLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000740145907 600424547 /nfs/dbraw/zinc/42/45/47/600424547.db2.gz ZNZKXBNIDVWCEW-UHFFFAOYSA-N -1 2 396.399 3.120 20 30 GGEDLM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000829519354 600685563 /nfs/dbraw/zinc/68/55/63/600685563.db2.gz GLONWRXLBQFSQV-UHFFFAOYSA-N -1 2 377.422 3.089 20 30 GGEDLM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000829519629 600685650 /nfs/dbraw/zinc/68/56/50/600685650.db2.gz NCZVEGLFMSCYLG-UHFFFAOYSA-N -1 2 395.387 3.157 20 30 GGEDLM N#C[C@@H](c1ccccc1)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833064738 601835965 /nfs/dbraw/zinc/83/59/65/601835965.db2.gz NAUAXVWAQKEYOE-HNNXBMFYSA-N -1 2 399.453 3.298 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)N2C[C@@H](CCC(=O)[O-])Cc3ccccc32)cc1C#N ZINC001594188662 959144077 /nfs/dbraw/zinc/14/40/77/959144077.db2.gz CWMMLEXFLSPYDK-LBPRGKRZSA-N -1 2 397.456 3.065 20 30 GGEDLM CC(C)c1nc(NS(=O)(=O)c2cccc(Cl)c2C#N)sc1C(=O)[O-] ZINC001592030785 976738681 /nfs/dbraw/zinc/73/86/81/976738681.db2.gz VZTKQBWHIIJGOH-UHFFFAOYSA-N -1 2 385.854 3.291 20 30 GGEDLM C#CCOc1ccccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001588504955 983549324 /nfs/dbraw/zinc/54/93/24/983549324.db2.gz PQRINBJVKVVIMS-UHFFFAOYSA-N -1 2 387.438 3.412 20 30 GGEDLM CCOC(=O)c1cccc(SC=C(O)C(C(=O)[O-])c2nc3ccccc3[nH]2)c1 ZINC001596730517 984996056 /nfs/dbraw/zinc/99/60/56/984996056.db2.gz MMRGCDAFEBUNCI-UHFFFAOYSA-N -1 2 398.440 3.358 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cc1C#N ZINC001599804058 988224849 /nfs/dbraw/zinc/22/48/49/988224849.db2.gz DIRKXOCORUWWJO-UHFFFAOYSA-N -1 2 387.417 3.118 20 30 GGEDLM CC(C)(C)c1ccnc(SC=C(O)C(C(=O)[O-])c2nc3ccccc3[nH]2)n1 ZINC001590515324 990124099 /nfs/dbraw/zinc/12/40/99/990124099.db2.gz FBGWYCUKWSNIFI-UHFFFAOYSA-N -1 2 384.461 3.269 20 30 GGEDLM N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(F)(F)F ZINC000325034852 565620595 /nfs/dbraw/zinc/62/05/95/565620595.db2.gz IOMZLHCFGQRYMZ-UHFFFAOYSA-N -1 2 376.337 3.138 20 30 GGEDLM Cc1ccc(NS(=O)(=O)c2ccccc2C#N)c(SCCC(=O)[O-])c1 ZINC000484503789 566432583 /nfs/dbraw/zinc/43/25/83/566432583.db2.gz MTBMZSRIGMSLGI-UHFFFAOYSA-N -1 2 376.459 3.234 20 30 GGEDLM Cc1ccc(NS(=O)(=O)c2ccc(C#N)s2)c(SCCC(=O)[O-])c1 ZINC000435483801 567372745 /nfs/dbraw/zinc/37/27/45/567372745.db2.gz MXJNMGPFRUNEJJ-UHFFFAOYSA-N -1 2 382.488 3.296 20 30 GGEDLM N#C[C@@H](C(=O)CCSCC(=O)[O-])c1nc(-c2c(F)cccc2F)cs1 ZINC000739076137 599800111 /nfs/dbraw/zinc/80/01/11/599800111.db2.gz YZVGGVGUNOBPLW-VIFPVBQESA-N -1 2 382.413 3.472 20 30 GGEDLM COc1ccc(-c2csc([C@H](C#N)C(=O)CCSCC(=O)[O-])n2)cc1 ZINC000737910006 599800314 /nfs/dbraw/zinc/80/03/14/599800314.db2.gz SRQPIQUNDIKPSD-CYBMUJFWSA-N -1 2 376.459 3.203 20 30 GGEDLM COc1ccc(C#N)cc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000737919754 600053079 /nfs/dbraw/zinc/05/30/79/600053079.db2.gz DSVSNJXNVWDZMG-UHFFFAOYSA-N -1 2 388.426 3.281 20 30 GGEDLM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000779849654 605598497 /nfs/dbraw/zinc/59/84/97/605598497.db2.gz YJQLSZVRQPJHOR-JTQLQIEISA-N -1 2 380.809 3.130 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)N2C[C@H](CCC(=O)[O-])Cc3ccccc32)cc1C#N ZINC001594188661 959143740 /nfs/dbraw/zinc/14/37/40/959143740.db2.gz CWMMLEXFLSPYDK-GFCCVEGCSA-N -1 2 397.456 3.065 20 30 GGEDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC000610421032 975017089 /nfs/dbraw/zinc/01/70/89/975017089.db2.gz DYGUIRLXKWCXSU-UHFFFAOYSA-N -1 2 399.384 3.146 20 30 GGEDLM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001595936605 983077096 /nfs/dbraw/zinc/07/70/96/983077096.db2.gz IMEMHBYPMNMMBD-UHFFFAOYSA-N -1 2 377.422 3.035 20 30 GGEDLM C=CCOC[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C(=O)[O-] ZINC001588859427 984405656 /nfs/dbraw/zinc/40/56/56/984405656.db2.gz LFXHFPHCCCQVRG-INIZCTEOSA-N -1 2 375.808 3.098 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2cccc(SCCC(=O)[O-])c2)cc1C#N ZINC001599804028 988225017 /nfs/dbraw/zinc/22/50/17/988225017.db2.gz BYLAAGQMNZSHDD-UHFFFAOYSA-N -1 2 389.458 3.200 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)cc1C#N ZINC001599805075 988242123 /nfs/dbraw/zinc/24/21/23/988242123.db2.gz SBTBWWVDCFDLBL-UHFFFAOYSA-N -1 2 381.772 3.124 20 30 GGEDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000266800723 565091336 /nfs/dbraw/zinc/09/13/36/565091336.db2.gz RUCCCJGCQOINKS-SNVBAGLBSA-N -1 2 380.447 3.481 20 30 GGEDLM CC(C)(C)Oc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C#N ZINC000451082064 566750598 /nfs/dbraw/zinc/75/05/98/566750598.db2.gz FYLNKPUYARNMAQ-UHFFFAOYSA-N -1 2 380.447 3.296 20 30 GGEDLM CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000451089152 566753435 /nfs/dbraw/zinc/75/34/35/566753435.db2.gz DDLQFDTWBSTKIP-UHFFFAOYSA-N -1 2 399.881 3.465 20 30 GGEDLM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)cc2[nH]c1=S ZINC000736118148 599753094 /nfs/dbraw/zinc/75/30/94/599753094.db2.gz QRKTVVPQDKLCET-UHFFFAOYSA-N -1 2 395.440 3.130 20 30 GGEDLM N#Cc1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)cc1 ZINC000739132292 600056138 /nfs/dbraw/zinc/05/61/38/600056138.db2.gz IHTJDQIJFFXOKA-UHFFFAOYSA-N -1 2 399.453 3.105 20 30 GGEDLM N#Cc1cccc(S(=O)(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)c1 ZINC000739140167 600056298 /nfs/dbraw/zinc/05/62/98/600056298.db2.gz PSTWSHNZKNXXOD-UHFFFAOYSA-N -1 2 399.453 3.105 20 30 GGEDLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C#Cc3ccccn3)c2)s1 ZINC000740187449 600424478 /nfs/dbraw/zinc/42/44/78/600424478.db2.gz LEZIINYBQRXKIA-UHFFFAOYSA-N -1 2 384.438 3.042 20 30 GGEDLM Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000738503390 600551183 /nfs/dbraw/zinc/55/11/83/600551183.db2.gz MYWWHNHLENDDKI-UHFFFAOYSA-N -1 2 399.453 3.489 20 30 GGEDLM Cc1nc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)sc1SCC#N ZINC000832866654 601358966 /nfs/dbraw/zinc/35/89/66/601358966.db2.gz PRDKVGMYVCHVAD-UHFFFAOYSA-N -1 2 397.503 3.183 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc1C#N ZINC000832770718 601443637 /nfs/dbraw/zinc/44/36/37/601443637.db2.gz CFZXJCHDVYKQGJ-UHFFFAOYSA-N -1 2 392.462 3.085 20 30 GGEDLM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])cs1 ZINC000833068677 602116459 /nfs/dbraw/zinc/11/64/59/602116459.db2.gz JQKGQPSWVURQSY-UHFFFAOYSA-N -1 2 376.337 3.138 20 30 GGEDLM N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC000833761362 604760541 /nfs/dbraw/zinc/76/05/41/604760541.db2.gz XBSIRUCSCMBWEQ-UHFFFAOYSA-N -1 2 383.838 3.045 20 30 GGEDLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000833741198 605126452 /nfs/dbraw/zinc/12/64/52/605126452.db2.gz BLIISWPBBZMBIC-UHFFFAOYSA-N -1 2 390.364 3.446 20 30 GGEDLM COc1ccc2[nH]c(SC=C(O)C(C(=O)[O-])c3nc4ccccc4[nH]3)nc2c1 ZINC000833734908 605213119 /nfs/dbraw/zinc/21/31/19/605213119.db2.gz KQNKMSKHNCTIRT-UHFFFAOYSA-N -1 2 396.428 3.067 20 30 GGEDLM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000735418116 1446906591 /nfs/dbraw/zinc/90/65/91/1446906591.db2.gz ATRAJOIWSKTJRP-UHFFFAOYSA-N -1 2 398.496 3.236 20 30 GGEDLM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000735418116 1446906593 /nfs/dbraw/zinc/90/65/93/1446906593.db2.gz ATRAJOIWSKTJRP-UHFFFAOYSA-N -1 2 398.496 3.236 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)cc1C#N ZINC001594189189 959151562 /nfs/dbraw/zinc/15/15/62/959151562.db2.gz UPXHYRGCNIBSPY-UHFFFAOYSA-N -1 2 381.772 3.124 20 30 GGEDLM CC(C)Oc1c(NS(=O)(=O)c2ccc(C#N)cc2Cl)cccc1C(=O)[O-] ZINC000410396897 973927516 /nfs/dbraw/zinc/92/75/16/973927516.db2.gz IYJVBUCDSWPSQJ-UHFFFAOYSA-N -1 2 394.836 3.498 20 30 GGEDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000610421030 975017361 /nfs/dbraw/zinc/01/73/61/975017361.db2.gz BUJLKQAILBMMPU-UHFFFAOYSA-N -1 2 399.384 3.146 20 30 GGEDLM N#Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)s2)cc1 ZINC000738432677 978537913 /nfs/dbraw/zinc/53/79/13/978537913.db2.gz OEBOEZBPKJCCKL-UHFFFAOYSA-N -1 2 399.453 3.105 20 30 GGEDLM Cc1cc(S(=O)(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000393052542 565567326 /nfs/dbraw/zinc/56/73/26/565567326.db2.gz PDRPLIQNLXDULG-UHFFFAOYSA-N -1 2 390.364 3.446 20 30 GGEDLM C[C@@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000609378972 566762026 /nfs/dbraw/zinc/76/20/26/566762026.db2.gz LDQJZAGTMZARGL-JTQLQIEISA-N -1 2 382.488 3.499 20 30 GGEDLM CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479521062 567542584 /nfs/dbraw/zinc/54/25/84/567542584.db2.gz ZEOJMYQFJJMEOE-UHFFFAOYSA-N -1 2 382.850 3.433 20 30 GGEDLM N#Cc1ccc(-c2csc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)n2)cc1 ZINC000739102371 600052602 /nfs/dbraw/zinc/05/26/02/600052602.db2.gz WAWBXJQKXLROPE-UHFFFAOYSA-N -1 2 391.455 3.242 20 30 GGEDLM N#Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)cc1 ZINC000739132332 600056166 /nfs/dbraw/zinc/05/61/66/600056166.db2.gz JZPRCGHFPBYYMW-UHFFFAOYSA-N -1 2 399.453 3.110 20 30 GGEDLM C=C(C)COc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000736094554 600234967 /nfs/dbraw/zinc/23/49/67/600234967.db2.gz LRTBLXSBZFJWTM-UHFFFAOYSA-N -1 2 383.372 3.419 20 30 GGEDLM N#Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c(F)c1 ZINC000548538693 600543202 /nfs/dbraw/zinc/54/32/02/600543202.db2.gz JAFUYKXPGSUOJE-UHFFFAOYSA-N -1 2 388.298 3.215 20 30 GGEDLM N#Cc1ccc(S(=O)(=O)Nc2cccc(CSCCC(=O)[O-])c2)c(F)c1 ZINC000739132444 600545568 /nfs/dbraw/zinc/54/55/68/600545568.db2.gz QWJONHKMQIMFFB-UHFFFAOYSA-N -1 2 394.449 3.206 20 30 GGEDLM CC(C)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c(C(=O)[O-])c1 ZINC000827125182 602112598 /nfs/dbraw/zinc/11/25/98/602112598.db2.gz YWMZEINHIWESMD-UHFFFAOYSA-N -1 2 389.389 3.089 20 30 GGEDLM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000779847862 605598469 /nfs/dbraw/zinc/59/84/69/605598469.db2.gz GUEIWCFAQJUZKU-SNVBAGLBSA-N -1 2 380.809 3.130 20 30 GGEDLM C#CCCCCC(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823838831 1428853234 /nfs/dbraw/zinc/85/32/34/1428853234.db2.gz VKVJDJNPZGKPQG-UHFFFAOYSA-N -1 2 399.505 3.143 20 30 GGEDLM C#CCCCCC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823838831 1428853237 /nfs/dbraw/zinc/85/32/37/1428853237.db2.gz VKVJDJNPZGKPQG-UHFFFAOYSA-N -1 2 399.505 3.143 20 30 GGEDLM COc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)ccc1OC(F)F ZINC000821703264 1429360335 /nfs/dbraw/zinc/36/03/35/1429360335.db2.gz XFRXLGMNGMILRU-HYXAFXHYSA-N -1 2 378.360 3.434 20 30 GGEDLM COc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)ccc1OC(F)F ZINC000821703264 1429360344 /nfs/dbraw/zinc/36/03/44/1429360344.db2.gz XFRXLGMNGMILRU-HYXAFXHYSA-N -1 2 378.360 3.434 20 30 GGEDLM Oc1cc(Cl)c(C=NNc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1Cl ZINC000826510840 1441676984 /nfs/dbraw/zinc/67/69/84/1441676984.db2.gz NHUUSJOTZBYXGD-UHFFFAOYSA-N -1 2 384.614 3.374 20 30 GGEDLM Oc1cc(Cl)c(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1Cl ZINC000826510840 1441676989 /nfs/dbraw/zinc/67/69/89/1441676989.db2.gz NHUUSJOTZBYXGD-UHFFFAOYSA-N -1 2 384.614 3.374 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1C#N ZINC001574256916 960535214 /nfs/dbraw/zinc/53/52/14/960535214.db2.gz FDJJQENIKURJNE-UHFFFAOYSA-N -1 2 389.458 3.272 20 30 GGEDLM C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3C)cc2[nH]c1=S ZINC001588905639 984537704 /nfs/dbraw/zinc/53/77/04/984537704.db2.gz ZSNKJCYWQNDMMJ-UHFFFAOYSA-N -1 2 395.440 3.130 20 30 GGEDLM CNc1ccc(C#N)cc1NS(=O)(=O)c1sc(C(=O)[O-])c(Cl)c1C ZINC001598678006 994879082 /nfs/dbraw/zinc/87/90/82/994879082.db2.gz LKPNCUFUBFMCEB-UHFFFAOYSA-N -1 2 385.854 3.122 20 30 GGEDLM COc1cc(CN=Nc2cccc(F)c2C(=O)[O-])cc(Br)c1O ZINC001599399975 997196960 /nfs/dbraw/zinc/19/69/60/997196960.db2.gz LTQSOJCLCQXIFD-UHFFFAOYSA-N -1 2 383.173 3.447 20 30 GGEDLM COc1cc(C#N)ccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001599347726 998039195 /nfs/dbraw/zinc/03/91/95/998039195.db2.gz JRUYWQRHQXKYIJ-UHFFFAOYSA-N -1 2 388.426 3.281 20 30 GGEDLM N#Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)s1 ZINC000326516570 565624765 /nfs/dbraw/zinc/62/47/65/565624765.db2.gz OAAYTTVZGQVYIA-UHFFFAOYSA-N -1 2 376.337 3.138 20 30 GGEDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000738277433 599967079 /nfs/dbraw/zinc/96/70/79/599967079.db2.gz YATHHBUJUDVYGE-UHFFFAOYSA-N -1 2 399.453 3.489 20 30 GGEDLM N#CCCCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000739072055 600234206 /nfs/dbraw/zinc/23/42/06/600234206.db2.gz DWHOVRGCFZFQEV-UHFFFAOYSA-N -1 2 396.371 3.146 20 30 GGEDLM N#CCCSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000739075846 600236966 /nfs/dbraw/zinc/23/69/66/600236966.db2.gz ONWMAKSOFZJJTO-UHFFFAOYSA-N -1 2 398.412 3.470 20 30 GGEDLM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000739573973 600473232 /nfs/dbraw/zinc/47/32/32/600473232.db2.gz SERHATFWPGWWGL-KRWDZBQOSA-N -1 2 397.387 3.130 20 30 GGEDLM Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)ccc1C(=O)[O-] ZINC000832904285 600975297 /nfs/dbraw/zinc/97/52/97/600975297.db2.gz DVZCFAIELPWBCC-UHFFFAOYSA-N -1 2 399.453 3.489 20 30 GGEDLM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000737030071 601117468 /nfs/dbraw/zinc/11/74/68/601117468.db2.gz PDYPWEDINQPLSZ-UHFFFAOYSA-N -1 2 377.397 3.018 20 30 GGEDLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000833741396 605126468 /nfs/dbraw/zinc/12/64/68/605126468.db2.gz LJADTJKWTYJZAK-UHFFFAOYSA-N -1 2 390.364 3.446 20 30 GGEDLM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000779847861 605598453 /nfs/dbraw/zinc/59/84/53/605598453.db2.gz GUEIWCFAQJUZKU-JTQLQIEISA-N -1 2 380.809 3.130 20 30 GGEDLM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2ccccc2c1O ZINC000822935910 1427193281 /nfs/dbraw/zinc/19/32/81/1427193281.db2.gz PTHHPHMSFBEACF-CLFYSBASSA-N -1 2 382.383 3.269 20 30 GGEDLM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2ccccc2c1O ZINC000822935910 1427193283 /nfs/dbraw/zinc/19/32/83/1427193283.db2.gz PTHHPHMSFBEACF-CLFYSBASSA-N -1 2 382.383 3.269 20 30 GGEDLM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2ccccc2c1O ZINC000822935911 1447027842 /nfs/dbraw/zinc/02/78/42/1447027842.db2.gz PTHHPHMSFBEACF-VQHVLOKHSA-N -1 2 382.383 3.269 20 30 GGEDLM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2ccccc2c1O ZINC000822935911 1447027846 /nfs/dbraw/zinc/02/78/46/1447027846.db2.gz PTHHPHMSFBEACF-VQHVLOKHSA-N -1 2 382.383 3.269 20 30 GGEDLM Cn1cc(C=CC(=O)c2cc(F)ccc2O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359726 1450159448 /nfs/dbraw/zinc/15/94/48/1450159448.db2.gz PCFXRROYTQWHSK-VURMDHGXSA-N -1 2 390.378 3.008 20 30 GGEDLM Cn1cc(C=CC(=O)c2cc(F)ccc2O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359726 1450159451 /nfs/dbraw/zinc/15/94/51/1450159451.db2.gz PCFXRROYTQWHSK-VURMDHGXSA-N -1 2 390.378 3.008 20 30 GGEDLM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)cc2[nH]c1=S ZINC000825710903 978940754 /nfs/dbraw/zinc/94/07/54/978940754.db2.gz GRGYJAZERHSCKL-UHFFFAOYSA-N -1 2 395.440 3.130 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)cc1C#N ZINC001599804019 988225076 /nfs/dbraw/zinc/22/50/76/988225076.db2.gz BMDOJBRDXZRJOG-UHFFFAOYSA-N -1 2 381.772 3.124 20 30 GGEDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000266800713 565091261 /nfs/dbraw/zinc/09/12/61/565091261.db2.gz RUCCCJGCQOINKS-JTQLQIEISA-N -1 2 380.447 3.481 20 30 GGEDLM C[C@@H](Sc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000564646479 566996476 /nfs/dbraw/zinc/99/64/76/566996476.db2.gz XQWVMWFDDULYJP-SNVBAGLBSA-N -1 2 380.422 3.063 20 30 GGEDLM Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)c(C#N)c2)sc1C(=O)[O-] ZINC000435146343 567343981 /nfs/dbraw/zinc/34/39/81/567343981.db2.gz YJKRWCNCLNONFG-UHFFFAOYSA-N -1 2 380.447 3.214 20 30 GGEDLM Cc1oc(C)c(S(=O)(=O)Nc2ccccc2SCCC#N)c1C(=O)[O-] ZINC000738970251 599839583 /nfs/dbraw/zinc/83/95/83/599839583.db2.gz SZYCKSSTYNUWNB-UHFFFAOYSA-N -1 2 380.447 3.401 20 30 GGEDLM N#Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)c(CC(=O)[O-])s2)c1 ZINC000739140257 600056189 /nfs/dbraw/zinc/05/61/89/600056189.db2.gz RBITUPKOPGXJNU-UHFFFAOYSA-N -1 2 399.453 3.110 20 30 GGEDLM N#Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)n2)cc1 ZINC000739101113 600244493 /nfs/dbraw/zinc/24/44/93/600244493.db2.gz ARVMDVTWCIFDBH-UHFFFAOYSA-N -1 2 399.453 3.110 20 30 GGEDLM N#Cc1ccc(-c2csc(NS(=O)(=O)c3csc(C(=O)[O-])c3)n2)cc1 ZINC000833071173 600975215 /nfs/dbraw/zinc/97/52/15/600975215.db2.gz YAFZTWSVDOAGMC-UHFFFAOYSA-N -1 2 391.455 3.242 20 30 GGEDLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000517437320 601330921 /nfs/dbraw/zinc/33/09/21/601330921.db2.gz AITPLDBIZUNTNL-UHFFFAOYSA-N -1 2 392.458 3.200 20 30 GGEDLM Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc(C(C)(C)C)c(C(=O)[O-])s1 ZINC000832910574 601362813 /nfs/dbraw/zinc/36/28/13/601362813.db2.gz SQHGMGQPRVURCZ-UHFFFAOYSA-N -1 2 379.463 3.120 20 30 GGEDLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000833345356 601833641 /nfs/dbraw/zinc/83/36/41/601833641.db2.gz APBKSFYBVOKIKS-UHFFFAOYSA-N -1 2 390.467 3.103 20 30 GGEDLM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000760345778 602112438 /nfs/dbraw/zinc/11/24/38/602112438.db2.gz ZLXXMSMIOAGULM-UHFFFAOYSA-N -1 2 397.368 3.119 20 30 GGEDLM C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000779847818 605598091 /nfs/dbraw/zinc/59/80/91/605598091.db2.gz FHHFNLWUFYTBSO-VIFPVBQESA-N -1 2 398.799 3.269 20 30 GGEDLM C=CCCCC(=O)Nc1nnc(SCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819733983 1428249348 /nfs/dbraw/zinc/24/93/48/1428249348.db2.gz GNIDTOUQRXNYCV-UHFFFAOYSA-N -1 2 387.494 3.305 20 30 GGEDLM C=CCCCC(=O)Nc1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819733983 1428249353 /nfs/dbraw/zinc/24/93/53/1428249353.db2.gz GNIDTOUQRXNYCV-UHFFFAOYSA-N -1 2 387.494 3.305 20 30 GGEDLM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(Cl)c1O ZINC000819773602 1425281357 /nfs/dbraw/zinc/28/13/57/1425281357.db2.gz WJUDCUYAKFTURA-UHFFFAOYSA-N -1 2 377.235 3.393 20 30 GGEDLM C#Cc1cccc(NS(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2F)c1 ZINC000193041203 1432926382 /nfs/dbraw/zinc/92/63/82/1432926382.db2.gz BECWXRMIRGUHOE-UHFFFAOYSA-N -1 2 398.209 3.069 20 30 GGEDLM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438760065 974100886 /nfs/dbraw/zinc/10/08/86/974100886.db2.gz VBMLNLZFHDVPJN-UHFFFAOYSA-N -1 2 377.397 3.018 20 30 GGEDLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000479518165 974216569 /nfs/dbraw/zinc/21/65/69/974216569.db2.gz QEMJQVLMXGZSKZ-UHFFFAOYSA-N -1 2 394.836 3.498 20 30 GGEDLM N#Cc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(=O)[O-])c3)n2)cc1 ZINC000738430802 978537203 /nfs/dbraw/zinc/53/72/03/978537203.db2.gz PPEUDGBAONZRIP-UHFFFAOYSA-N -1 2 385.426 3.181 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2ccc(OC(C)C)cc2C(=O)[O-])cc1C#N ZINC001599803999 988224755 /nfs/dbraw/zinc/22/47/55/988224755.db2.gz ANADVXBVQRMQAA-UHFFFAOYSA-N -1 2 387.417 3.118 20 30 GGEDLM COc1ccc(-c2nc(SCc3ccc(C(=O)[O-])o3)[nH]c(=O)c2C#N)cc1 ZINC001599470743 998446824 /nfs/dbraw/zinc/44/68/24/998446824.db2.gz SRFGKPCRAYCMEA-UHFFFAOYSA-N -1 2 383.385 3.313 20 30 GGEDLM Cc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000121700468 564382691 /nfs/dbraw/zinc/38/26/91/564382691.db2.gz MSTLAJWXYCINNQ-UHFFFAOYSA-N -1 2 386.763 3.297 20 30 GGEDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000266814401 565092750 /nfs/dbraw/zinc/09/27/50/565092750.db2.gz XDFIDUSSCZDASL-JTQLQIEISA-N -1 2 380.447 3.339 20 30 GGEDLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000266814404 565092800 /nfs/dbraw/zinc/09/28/00/565092800.db2.gz XDFIDUSSCZDASL-SNVBAGLBSA-N -1 2 380.447 3.339 20 30 GGEDLM C[C@H](Sc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cc1)C(=O)[O-] ZINC000564646477 566995441 /nfs/dbraw/zinc/99/54/41/566995441.db2.gz XQWVMWFDDULYJP-JTQLQIEISA-N -1 2 380.422 3.063 20 30 GGEDLM N#Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000435487572 567372416 /nfs/dbraw/zinc/37/24/16/567372416.db2.gz SSKCABCCXNEMCV-UHFFFAOYSA-N -1 2 376.337 3.138 20 30 GGEDLM CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000462099328 567771126 /nfs/dbraw/zinc/77/11/26/567771126.db2.gz DYKPRTQJHZRFKM-UHFFFAOYSA-N -1 2 379.463 3.249 20 30 GGEDLM COc1ccc(-c2nc(SCc3cc(C(=O)[O-])co3)[nH]c(=O)c2C#N)cc1 ZINC000737913110 599804081 /nfs/dbraw/zinc/80/40/81/599804081.db2.gz LQZQEUSEJJOSAB-UHFFFAOYSA-N -1 2 383.385 3.313 20 30 GGEDLM N#CCCSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000739075807 599839550 /nfs/dbraw/zinc/83/95/50/599839550.db2.gz NNPNEIJSIHWBFN-UHFFFAOYSA-N -1 2 380.422 3.330 20 30 GGEDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1C(=O)[O-] ZINC000738747376 600052234 /nfs/dbraw/zinc/05/22/34/600052234.db2.gz VQQXPBHGNPBUIP-UHFFFAOYSA-N -1 2 399.453 3.489 20 30 GGEDLM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(N=Cc2cc([N+](=O)[O-])ccc2O)c1 ZINC000739573974 600473216 /nfs/dbraw/zinc/47/32/16/600473216.db2.gz SERHATFWPGWWGL-QGZVFWFLSA-N -1 2 397.387 3.130 20 30 GGEDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1C(=O)[O-] ZINC000832956444 600828146 /nfs/dbraw/zinc/82/81/46/600828146.db2.gz ALJPFYGYKQZICE-UHFFFAOYSA-N -1 2 399.453 3.489 20 30 GGEDLM C#CCCCNC(=O)c1ccccc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000825605714 600975166 /nfs/dbraw/zinc/97/51/66/600975166.db2.gz ONWMXNCMTXFYBS-UHFFFAOYSA-N -1 2 396.468 3.259 20 30 GGEDLM CC(=O)c1[nH]c(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c(C(=O)[O-])c1C ZINC000825937171 600975336 /nfs/dbraw/zinc/97/53/36/600975336.db2.gz SIHNXPZROFSIHZ-UHFFFAOYSA-N -1 2 393.321 3.296 20 30 GGEDLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000833345581 601833768 /nfs/dbraw/zinc/83/37/68/601833768.db2.gz DOXVNDDCPGQPDA-UHFFFAOYSA-N -1 2 384.438 3.042 20 30 GGEDLM N#C[C@H](c1ccccc1)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833064741 601835990 /nfs/dbraw/zinc/83/59/90/601835990.db2.gz NAUAXVWAQKEYOE-OAHLLOKOSA-N -1 2 399.453 3.298 20 30 GGEDLM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000779849655 605598260 /nfs/dbraw/zinc/59/82/60/605598260.db2.gz YJQLSZVRQPJHOR-SNVBAGLBSA-N -1 2 380.809 3.130 20 30 GGEDLM C=CCCC[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1 ZINC000823894142 1429360826 /nfs/dbraw/zinc/36/08/26/1429360826.db2.gz IOOUGILAGGGSDY-LBPRGKRZSA-N -1 2 384.419 3.058 20 30 GGEDLM C=CCCC[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000823894142 1429360829 /nfs/dbraw/zinc/36/08/29/1429360829.db2.gz IOOUGILAGGGSDY-LBPRGKRZSA-N -1 2 384.419 3.058 20 30 GGEDLM Cn1cc(C=CC(=O)c2ccc(O)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359945 1446613813 /nfs/dbraw/zinc/61/38/13/1446613813.db2.gz TXSGNAUCSORALS-BQYQJAHWSA-N -1 2 390.378 3.008 20 30 GGEDLM Cn1cc(C=CC(=O)c2ccc(O)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359945 1446613817 /nfs/dbraw/zinc/61/38/17/1446613817.db2.gz TXSGNAUCSORALS-BQYQJAHWSA-N -1 2 390.378 3.008 20 30 GGEDLM N#Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1C(F)(F)F ZINC000438774970 974102063 /nfs/dbraw/zinc/10/20/63/974102063.db2.gz PJHSYVQFNLQXIC-UHFFFAOYSA-N -1 2 388.298 3.215 20 30 GGEDLM C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC ZINC001588817560 984276668 /nfs/dbraw/zinc/27/66/68/984276668.db2.gz MBROUEZAGQCMDB-UHFFFAOYSA-N -1 2 395.458 3.152 20 30 GGEDLM C=CCOC[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C(=O)[O-] ZINC001588859428 984405367 /nfs/dbraw/zinc/40/53/67/984405367.db2.gz LFXHFPHCCCQVRG-MRXNPFEDSA-N -1 2 375.808 3.098 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2c(Cl)ccc(F)c2C(=O)[O-])cc1C#N ZINC001599804027 988225086 /nfs/dbraw/zinc/22/50/86/988225086.db2.gz BXVDMYPTGWSBKP-UHFFFAOYSA-N -1 2 381.772 3.124 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)cc1C#N ZINC001599805166 988243270 /nfs/dbraw/zinc/24/32/70/988243270.db2.gz UJEHYJQRKOYWMQ-UHFFFAOYSA-N -1 2 383.429 3.062 20 30 GGEDLM CSc1[nH]c(=O)c(C(=O)Nc2c(C(=O)[O-])ccc3ccccc32)cc1C#N ZINC001599805129 988243410 /nfs/dbraw/zinc/24/34/10/988243410.db2.gz SEZHOKGCPWABER-UHFFFAOYSA-N -1 2 379.397 3.484 20 30 GGEDLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000575452502 566273466 /nfs/dbraw/zinc/27/34/66/566273466.db2.gz FCQWSUKWBOJYCW-UHFFFAOYSA-N -1 2 380.447 3.214 20 30 GGEDLM C[C@H](C#N)CSc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000609378973 566762115 /nfs/dbraw/zinc/76/21/15/566762115.db2.gz LDQJZAGTMZARGL-SNVBAGLBSA-N -1 2 382.488 3.499 20 30 GGEDLM CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000489748720 566808504 /nfs/dbraw/zinc/80/85/04/566808504.db2.gz UBKWDRSLFDAQBM-UHFFFAOYSA-N -1 2 380.809 3.109 20 30 GGEDLM N#CCCSc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438770235 567542949 /nfs/dbraw/zinc/54/29/49/567542949.db2.gz JRSUTZIABOPAHE-UHFFFAOYSA-N -1 2 380.422 3.330 20 30 GGEDLM N#Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OC(F)(F)F ZINC000442236042 567687618 /nfs/dbraw/zinc/68/76/18/567687618.db2.gz CWRKEEVERGCYIR-UHFFFAOYSA-N -1 2 392.336 3.017 20 30 GGEDLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(C#Cc3ccccn3)c2)c1C(=O)[O-] ZINC000738970078 600424066 /nfs/dbraw/zinc/42/40/66/600424066.db2.gz RFQQWECOMRLXEN-UHFFFAOYSA-N -1 2 396.424 3.190 20 30 GGEDLM C#Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)c1 ZINC000736095267 600612334 /nfs/dbraw/zinc/61/23/34/600612334.db2.gz OJTYPLLTMTXANG-UHFFFAOYSA-N -1 2 398.209 3.069 20 30 GGEDLM Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000738321329 600757286 /nfs/dbraw/zinc/75/72/86/600757286.db2.gz YNEAKXWSHGEYAC-UHFFFAOYSA-N -1 2 399.453 3.489 20 30 GGEDLM C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000779847817 605598234 /nfs/dbraw/zinc/59/82/34/605598234.db2.gz FHHFNLWUFYTBSO-SECBINFHSA-N -1 2 398.799 3.269 20 30 GGEDLM Cn1cc(C=CC(=O)c2ccc(O)c(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359946 1425192210 /nfs/dbraw/zinc/19/22/10/1425192210.db2.gz TXSGNAUCSORALS-FPLPWBNLSA-N -1 2 390.378 3.008 20 30 GGEDLM Cn1cc(C=CC(=O)c2ccc(O)c(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359946 1425192213 /nfs/dbraw/zinc/19/22/13/1425192213.db2.gz TXSGNAUCSORALS-FPLPWBNLSA-N -1 2 390.378 3.008 20 30 GGEDLM