smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc4cccnc4s3)c2)cc1 ZINC000004036376 817498928 /nfs/dbraw/zinc/49/89/28/817498928.db2.gz MHYUKLLSABBDBZ-UHFFFAOYSA-N -1 1 381.482 4.468 50 0 GIAAMM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1cccc(F)c1 ZINC000004036339 817498953 /nfs/dbraw/zinc/49/89/53/817498953.db2.gz PSCVZIOEKGMGRZ-UHFFFAOYSA-N -1 1 385.445 4.298 50 0 GIAAMM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(-c4ccno4)c3)c2)on1 ZINC000020580362 818626544 /nfs/dbraw/zinc/62/65/44/818626544.db2.gz YXIKSBPJBOAMHY-UHFFFAOYSA-N -1 1 395.440 4.414 50 0 GIAAMM Cc1ncc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)o1 ZINC000021031660 818648551 /nfs/dbraw/zinc/64/85/51/818648551.db2.gz RMFKEUJHVGHMGF-UHFFFAOYSA-N -1 1 382.363 4.470 50 0 GIAAMM O=S(=O)([N-]c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(F)cc1 ZINC000021711449 818729313 /nfs/dbraw/zinc/72/93/13/818729313.db2.gz IPQPCXWNICJWJO-UHFFFAOYSA-N -1 1 395.415 4.344 50 0 GIAAMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4oc(C)c(C)c4c3)cc2C[C@@H]1C ZINC000187057430 823004815 /nfs/dbraw/zinc/00/48/15/823004815.db2.gz NCEYFWSVYWQBOO-LBPRGKRZSA-N -1 1 398.484 4.148 50 0 GIAAMM O=C(c1ccc2ccccc2c1[O-])N1CCC(O)(c2ccccc2Cl)CC1 ZINC000192568995 824034554 /nfs/dbraw/zinc/03/45/54/824034554.db2.gz WMYDZMCOJDRTEG-UHFFFAOYSA-N -1 1 381.859 4.323 50 0 GIAAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000003305072 203996865 /nfs/dbraw/zinc/99/68/65/203996865.db2.gz XAYVQLJYRJAIPH-UHFFFAOYSA-N -1 1 396.516 4.089 50 0 GIAAMM O=S(=O)(c1ccc([O-])cc1)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000003995388 204022116 /nfs/dbraw/zinc/02/21/16/204022116.db2.gz KHSIRGIMBIQHTA-UHFFFAOYSA-N -1 1 384.497 4.398 50 0 GIAAMM C[C@H](NC(=O)c1ccc2[nH]c([O-])c(-c3ccccc3)c(=O)c2c1)c1ccccc1 ZINC000005800244 204151613 /nfs/dbraw/zinc/15/16/13/204151613.db2.gz MGMVWNWFAMSZSI-HNNXBMFYSA-N -1 1 384.435 4.392 50 0 GIAAMM CCc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000006146350 204169035 /nfs/dbraw/zinc/16/90/35/204169035.db2.gz YVSXCKLEFDNRPC-UHFFFAOYSA-N -1 1 380.469 4.302 50 0 GIAAMM CC[C@@H]1Sc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3C)cc2NC1=O ZINC000006867663 204217690 /nfs/dbraw/zinc/21/76/90/204217690.db2.gz JNNDCLAZKCNPET-HNNXBMFYSA-N -1 1 396.921 4.272 50 0 GIAAMM O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cccc(Br)c1 ZINC000006315971 204175045 /nfs/dbraw/zinc/17/50/45/204175045.db2.gz IXDPKPXMCXYYDS-UHFFFAOYSA-N -1 1 380.185 4.269 50 0 GIAAMM Cc1cccn2cc(-c3ccc(C)c([N-]S(=O)(=O)c4ccccc4)c3)nc12 ZINC000006748124 204198008 /nfs/dbraw/zinc/19/80/08/204198008.db2.gz DXLYWQZXZFOMRR-UHFFFAOYSA-N -1 1 377.469 4.419 50 0 GIAAMM O=C1C[C@H](c2cc(F)cc(F)c2)c2c(=O)[n-]c(SCc3ccccc3)nc2N1 ZINC000006748309 204199542 /nfs/dbraw/zinc/19/95/42/204199542.db2.gz GKOAZZWAUJZOFP-OAHLLOKOSA-N -1 1 399.422 4.227 50 0 GIAAMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CCC2)c1 ZINC000006934894 204225569 /nfs/dbraw/zinc/22/55/69/204225569.db2.gz BLHOVQUOVOJNMH-MRXNPFEDSA-N -1 1 398.528 4.182 50 0 GIAAMM CCCc1cc(=O)[n-]c(SCC(=O)NC2c3ccccc3-c3ccccc32)n1 ZINC000011438246 204346822 /nfs/dbraw/zinc/34/68/22/204346822.db2.gz XFJUAMSRDGDKLN-UHFFFAOYSA-N -1 1 391.496 4.113 50 0 GIAAMM CCCc1n[n-]c(=S)n1CC(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000014200445 204528463 /nfs/dbraw/zinc/52/84/63/204528463.db2.gz PCRKFUSRGMHERR-UHFFFAOYSA-N -1 1 383.502 4.295 50 0 GIAAMM Cc1nc(COc2ccc(Cl)c(C)c2)sc1C(=O)[N-]c1nncs1 ZINC000021149961 204754410 /nfs/dbraw/zinc/75/44/10/204754410.db2.gz VYUPSXUKIISJMK-UHFFFAOYSA-N -1 1 380.882 4.096 50 0 GIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3noc(-c4ccco4)n3)cc2)cc1 ZINC000033122849 204947044 /nfs/dbraw/zinc/94/70/44/204947044.db2.gz BHLNLOROJVZLDU-UHFFFAOYSA-N -1 1 381.413 4.106 50 0 GIAAMM Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccccc2OC(F)F)cc1 ZINC000058366404 205173097 /nfs/dbraw/zinc/17/30/97/205173097.db2.gz HLOPHNKKJRFIHT-UHFFFAOYSA-N -1 1 390.415 4.156 50 0 GIAAMM Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000064947350 205202211 /nfs/dbraw/zinc/20/22/11/205202211.db2.gz DULWBEBQISEXBD-UHFFFAOYSA-N -1 1 393.871 4.391 50 0 GIAAMM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)ccc21 ZINC000065020840 205205546 /nfs/dbraw/zinc/20/55/46/205205546.db2.gz MNHHAUHQRNTLHS-UHFFFAOYSA-N -1 1 392.908 4.093 50 0 GIAAMM CC(=O)N1CC(C)(C)c2cc(S(=O)(=O)[N-]c3cccc(Cl)c3C)ccc21 ZINC000065020838 205206612 /nfs/dbraw/zinc/20/66/12/205206612.db2.gz PYQLLBOLDKNWJC-UHFFFAOYSA-N -1 1 392.908 4.093 50 0 GIAAMM Cc1ccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)NCc2ccco2)c(F)c1 ZINC000067299304 205245569 /nfs/dbraw/zinc/24/55/69/205245569.db2.gz LNAYKTFJFOECAT-LVWGJNHUSA-N -1 1 392.386 4.341 50 0 GIAAMM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccccc2F)S1 ZINC000096117184 205526343 /nfs/dbraw/zinc/52/63/43/205526343.db2.gz ZRPUKCOFTWGUIW-MLGOLLRUSA-N -1 1 375.469 4.332 50 0 GIAAMM Cc1cccc(CC(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000225467411 206051693 /nfs/dbraw/zinc/05/16/93/206051693.db2.gz JJXIGDCXRWCPAY-UHFFFAOYSA-N -1 1 399.082 4.407 50 0 GIAAMM Cc1cccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[n-]3)n2)c1 ZINC000065330909 206106345 /nfs/dbraw/zinc/10/63/45/206106345.db2.gz LBQFVAGCLJYMFP-UHFFFAOYSA-N -1 1 376.441 4.500 50 0 GIAAMM CCc1ccc(NC(=O)c2cnc3n(-c4ccc(C)cc4)[n-]c(C)c-3c2=O)cc1 ZINC000010166802 221098547 /nfs/dbraw/zinc/09/85/47/221098547.db2.gz JBPRGCCUOVFJBV-UHFFFAOYSA-N -1 1 386.455 4.145 50 0 GIAAMM CC(=O)N[C@@H]1C[C@H](c2cc(F)cc(F)c2)O[C@H](c2ccc([O-])c(Cl)c2)C1 ZINC000065398397 222128326 /nfs/dbraw/zinc/12/83/26/222128326.db2.gz QZNJPWCWYWNDRQ-ZYSHUDEJSA-N -1 1 381.806 4.421 50 0 GIAAMM COc1ccc(NC(=O)c2cccc(OC(=S)[N-]Cc3ccccc3)c2)cc1 ZINC000001444645 570223291 /nfs/dbraw/zinc/22/32/91/570223291.db2.gz WKAOTAJIYLKMEG-UHFFFAOYSA-N -1 1 392.480 4.401 50 0 GIAAMM CSc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001063056 570239908 /nfs/dbraw/zinc/23/99/08/570239908.db2.gz MDLCQFUNDQJIEN-UHFFFAOYSA-N -1 1 398.509 4.462 50 0 GIAAMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3)ccc2s1 ZINC000001392853 570261691 /nfs/dbraw/zinc/26/16/91/570261691.db2.gz TWSFLBODEBJXHD-UHFFFAOYSA-N -1 1 381.862 4.142 50 0 GIAAMM COc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc(Cl)c2C)cc1 ZINC000012870164 570270146 /nfs/dbraw/zinc/27/01/46/570270146.db2.gz SGQODQHZDYKYFU-UHFFFAOYSA-N -1 1 388.880 4.217 50 0 GIAAMM CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nc2c(c(=O)[n-]1)CCC2 ZINC000015834971 570272309 /nfs/dbraw/zinc/27/23/09/570272309.db2.gz FVGMUUDUWUGYHP-UHFFFAOYSA-N -1 1 385.533 4.236 50 0 GIAAMM CC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3C)ccc2s1 ZINC000015870143 570281392 /nfs/dbraw/zinc/28/13/92/570281392.db2.gz UJXSRARXXMBJHU-UHFFFAOYSA-N -1 1 395.893 4.017 50 0 GIAAMM COc1ccc(OCCSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000015923744 570293178 /nfs/dbraw/zinc/29/31/78/570293178.db2.gz PHMCKHGUEUDMSE-UHFFFAOYSA-N -1 1 382.485 4.261 50 0 GIAAMM O=C(C=C([O-])C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 ZINC000105472484 570304866 /nfs/dbraw/zinc/30/48/66/570304866.db2.gz LZCQYRFVCQGDFG-UHFFFAOYSA-N -1 1 375.755 4.201 50 0 GIAAMM O=C(Nc1n[n-]c(C(F)(F)F)n1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000014361443 570309044 /nfs/dbraw/zinc/30/90/44/570309044.db2.gz UNYSYSUGGVNKBD-NFAYLAGKSA-N -1 1 390.409 4.300 50 0 GIAAMM O=S(=O)([N-]CCOc1ccccc1)c1cc(Cl)c(Cl)cc1Cl ZINC000022496021 570318370 /nfs/dbraw/zinc/31/83/70/570318370.db2.gz HIEYYFVIGZNDSH-UHFFFAOYSA-N -1 1 380.680 4.004 50 0 GIAAMM CCc1nc(-c2ccc(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)no1 ZINC000035556912 570396119 /nfs/dbraw/zinc/39/61/19/570396119.db2.gz ICOGRAWMRFAYSE-UHFFFAOYSA-N -1 1 377.853 4.062 50 0 GIAAMM O=C1C[C@H](c2ccncc2)c2c(cc([O-])c3c(=O)c(-c4ccccc4)coc32)O1 ZINC000524730163 570420674 /nfs/dbraw/zinc/42/06/74/570420674.db2.gz XVMWSEZHCZUVDK-OAHLLOKOSA-N -1 1 385.375 4.002 50 0 GIAAMM O=c1cc2c(c3occ(-c4ccccc4)c([O-])c1-3)[C@@H](c1ccncc1)CC(=O)O2 ZINC000524730163 570420677 /nfs/dbraw/zinc/42/06/77/570420677.db2.gz XVMWSEZHCZUVDK-OAHLLOKOSA-N -1 1 385.375 4.002 50 0 GIAAMM Cc1ccccc1N1OC2=C([O-])N(c3ccccc3)C(=O)[C@H]2[C@@H]1c1cccs1 ZINC000238937244 570427850 /nfs/dbraw/zinc/42/78/50/570427850.db2.gz UQSLDWANSFMYCX-UFYCRDLUSA-N -1 1 390.464 4.108 50 0 GIAAMM CCCc1ccc(S(=O)(=O)[N-]c2ccc3nc(NC(C)=O)sc3c2)cc1 ZINC000033007565 570620790 /nfs/dbraw/zinc/62/07/90/570620790.db2.gz QBKACKLYZGPNCU-UHFFFAOYSA-N -1 1 389.502 4.008 50 0 GIAAMM CCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2s1 ZINC000033007540 570620927 /nfs/dbraw/zinc/62/09/27/570620927.db2.gz QAPIHSBKLYRVNH-UHFFFAOYSA-N -1 1 389.502 4.062 50 0 GIAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(Cl)cc3)no2)[n-]1 ZINC000012414988 570668932 /nfs/dbraw/zinc/66/89/32/570668932.db2.gz BHQAMPUDDLRUIU-UHFFFAOYSA-N -1 1 396.859 4.433 50 0 GIAAMM O=C(Nc1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000869671 570678150 /nfs/dbraw/zinc/67/81/50/570678150.db2.gz KCBRPQRHHXPKKA-UHFFFAOYSA-N -1 1 386.860 4.393 50 0 GIAAMM O=C(c1ccncc1)c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000001059026 570749292 /nfs/dbraw/zinc/74/92/92/570749292.db2.gz WGUGLBWBCJGPMN-UHFFFAOYSA-N -1 1 388.448 4.267 50 0 GIAAMM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000013712309 570777986 /nfs/dbraw/zinc/77/79/86/570777986.db2.gz QAVZKQOYKJVIKK-ZLNRFVROSA-N -1 1 398.462 4.355 50 0 GIAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1F)c1ccccc1 ZINC000013856330 570795728 /nfs/dbraw/zinc/79/57/28/570795728.db2.gz FQIPBBJUYBNYPT-UHFFFAOYSA-N -1 1 388.395 4.018 50 0 GIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3cn4ccsc4n3)cc2)cc1C ZINC000004649851 570802299 /nfs/dbraw/zinc/80/22/99/570802299.db2.gz HKCKRBZMRLVLDL-UHFFFAOYSA-N -1 1 383.498 4.480 50 0 GIAAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC(=O)c1ccco1 ZINC000001213485 570807015 /nfs/dbraw/zinc/80/70/15/570807015.db2.gz XRLIZODNJKPRQV-NTEUORMPSA-N -1 1 375.427 4.227 50 0 GIAAMM Cc1onc(-c2ccccc2)c1C(=O)[N-]c1nnc(COc2ccccc2)s1 ZINC000013944162 570807564 /nfs/dbraw/zinc/80/75/64/570807564.db2.gz STCGJQJQYQPSSO-UHFFFAOYSA-N -1 1 392.440 4.333 50 0 GIAAMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCC1=O ZINC000012560825 570864823 /nfs/dbraw/zinc/86/48/23/570864823.db2.gz SDJLMVYQUYFWAY-UHFFFAOYSA-N -1 1 399.299 4.229 50 0 GIAAMM O=C(CC1CCCC1)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000015744169 570902995 /nfs/dbraw/zinc/90/29/95/570902995.db2.gz OVSDWUQHOOHPKA-UHFFFAOYSA-N -1 1 394.443 4.284 50 0 GIAAMM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cc1Cc1ccccc1 ZINC000016729706 570908439 /nfs/dbraw/zinc/90/84/39/570908439.db2.gz SKDNIJCPDFMVAR-UHFFFAOYSA-N -1 1 395.480 4.289 50 0 GIAAMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1c1ccccc1 ZINC000015945146 570909861 /nfs/dbraw/zinc/90/98/61/570909861.db2.gz FBSHROLRMRNOBU-NTEUORMPSA-N -1 1 376.231 4.396 50 0 GIAAMM CCc1c(C)scc1C(=O)Nn1c(=O)c2c(C)c(C)sc2[n-]c1=S ZINC000017077636 570939430 /nfs/dbraw/zinc/93/94/30/570939430.db2.gz FJZGDOSILFLSJZ-UHFFFAOYSA-N -1 1 379.532 4.054 50 0 GIAAMM Cc1cccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(F)c2)c1 ZINC000012785331 571038454 /nfs/dbraw/zinc/03/84/54/571038454.db2.gz BHKAILSSZNBOIC-UHFFFAOYSA-N -1 1 384.480 4.104 50 0 GIAAMM O=S(=O)([N-]c1ccc(-c2nc3cccnc3s2)cc1)c1ccc(F)cc1 ZINC000004036345 817498820 /nfs/dbraw/zinc/49/88/20/817498820.db2.gz YJTSPUOZCBLCMW-UHFFFAOYSA-N -1 1 385.445 4.298 50 0 GIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc(-c3nc4cccnc4s3)cc2)cc1 ZINC000004036348 817498880 /nfs/dbraw/zinc/49/88/80/817498880.db2.gz IADSHEXRYWRUPE-UHFFFAOYSA-N -1 1 397.481 4.168 50 0 GIAAMM Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3C)c2)c1 ZINC000006167947 817665513 /nfs/dbraw/zinc/66/55/13/817665513.db2.gz BZFJCENYUSJUIY-UHFFFAOYSA-N -1 1 395.484 4.060 50 0 GIAAMM CC(C)c1ccccc1S(=O)(=O)[N-]c1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000188968851 823335657 /nfs/dbraw/zinc/33/56/57/823335657.db2.gz KZNWGCLVVKIHSJ-SFHVURJKSA-N -1 1 385.489 4.339 50 0 GIAAMM COc1ccc(-c2nsc([N-]C(=O)c3c(C)noc3-c3ccccc3)n2)cc1 ZINC000155820064 231026625 /nfs/dbraw/zinc/02/66/25/231026625.db2.gz FXBPXJRWIVVOFE-UHFFFAOYSA-N -1 1 392.440 4.429 50 0 GIAAMM 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ZINC000006147230 204168513 /nfs/dbraw/zinc/16/85/13/204168513.db2.gz SUYLXBGDFBYPRJ-UHFFFAOYSA-N -1 1 386.860 4.393 50 0 GIAAMM CCOC(=O)C1=C(NC(=O)c2cc(C)cc(C)c2)[N-]c2ccccc2N=C1CC ZINC000005693043 204146982 /nfs/dbraw/zinc/14/69/82/204146982.db2.gz MZIVQKRMEPPWPG-UHFFFAOYSA-N -1 1 391.471 4.416 50 0 GIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000006859973 204216403 /nfs/dbraw/zinc/21/64/03/204216403.db2.gz FAEDMFOZOMROBO-BLLLJJGKSA-N -1 1 378.881 4.044 50 0 GIAAMM CC[C@@H]1Sc2ccc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cc2NC1=O ZINC000006867707 204217641 /nfs/dbraw/zinc/21/76/41/204217641.db2.gz KSYAIZFBOXEYQH-KRWDZBQOSA-N -1 1 390.530 4.434 50 0 GIAAMM O=C1C[C@@H](c2cccc(F)c2F)c2c(=O)[n-]c(SCc3ccccc3)nc2N1 ZINC000006748318 204199994 /nfs/dbraw/zinc/19/99/94/204199994.db2.gz UKUVWJJMIYYFDS-ZDUSSCGKSA-N -1 1 399.422 4.227 50 0 GIAAMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(F)c1 ZINC000007362777 204240439 /nfs/dbraw/zinc/24/04/39/204240439.db2.gz 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O=C(c1cc(Cl)ccc1[O-])N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000048248006 205115458 /nfs/dbraw/zinc/11/54/58/205115458.db2.gz LODBJUPUWOTPDL-UHFFFAOYSA-N -1 1 398.812 4.022 50 0 GIAAMM O=C(Nc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1F)C1CCCCC1 ZINC000055594000 205150670 /nfs/dbraw/zinc/15/06/70/205150670.db2.gz IQCSMVDBZXOAPP-UHFFFAOYSA-N -1 1 394.443 4.284 50 0 GIAAMM Cc1c(F)cccc1/N=c1\oc2cc([O-])ccc2cc1C(=O)Nc1ccccn1 ZINC000067293421 205243904 /nfs/dbraw/zinc/24/39/04/205243904.db2.gz UEKOMRRERBRUAZ-LVWGJNHUSA-N -1 1 389.386 4.466 50 0 GIAAMM O=C(Nc1ccccn1)c1cc2ccc([O-])cc2o/c1=N\c1ccccc1F ZINC000067293273 205244531 /nfs/dbraw/zinc/24/45/31/205244531.db2.gz ODDHIPHSACYCCH-FLFQWRMESA-N -1 1 375.359 4.157 50 0 GIAAMM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(C)c3C)sc2C)cc1 ZINC000096341479 205560384 /nfs/dbraw/zinc/56/03/84/205560384.db2.gz IAJLQIOWPZZYES-UHFFFAOYSA-N -1 1 391.518 4.263 50 0 GIAAMM CCCN1C(=O)N(c2ccccc2)[C@H](N([O-])C(=O)Nc2ccccc2)C1(C)C ZINC000004795166 205752135 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Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730408 570222403 /nfs/dbraw/zinc/22/24/03/570222403.db2.gz PWHGTOBRYHKWDP-JTQLQIEISA-N -1 1 396.921 4.272 50 0 GIAAMM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)C[C@H](C)S2 ZINC000015730322 570222541 /nfs/dbraw/zinc/22/25/41/570222541.db2.gz VRTHMNRMZXCBFV-NSHDSACASA-N -1 1 396.921 4.272 50 0 GIAAMM COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[n-]n3C(C)C)ccc1OC(C)C ZINC000085412410 570226285 /nfs/dbraw/zinc/22/62/85/570226285.db2.gz IFUMZVPTXBYGHQ-KRWDZBQOSA-N -1 1 375.494 4.439 50 0 GIAAMM O=S(=O)([N-]c1ccccc1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000098073051 570263285 /nfs/dbraw/zinc/26/32/85/570263285.db2.gz UZJWAVDEJLSDKA-UHFFFAOYSA-N -1 1 380.185 4.269 50 0 GIAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000015942526 570298486 /nfs/dbraw/zinc/29/84/86/570298486.db2.gz DNALEPQAQDYUJE-UHFFFAOYSA-N -1 1 382.441 4.222 50 0 GIAAMM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(F)c2)ccc1C ZINC000002876647 570314770 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COc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1Br ZINC000000857799 570709907 /nfs/dbraw/zinc/70/99/07/570709907.db2.gz XENCGBVMLLKUMY-UHFFFAOYSA-N -1 1 392.274 4.412 50 0 GIAAMM COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2OC)c([O-])c1 ZINC000013123358 570747474 /nfs/dbraw/zinc/74/74/74/570747474.db2.gz QEJKWBNOMVWMSG-UHFFFAOYSA-N -1 1 391.349 4.134 50 0 GIAAMM COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000013137108 570748347 /nfs/dbraw/zinc/74/83/47/570748347.db2.gz RLOREVICIJQQEI-UHFFFAOYSA-N -1 1 396.468 4.057 50 0 GIAAMM CCOC(=O)C1=C(NC(=O)[C@H](CC)c2ccccc2)[N-]c2ccccc2N=C1C ZINC000101628859 570827323 /nfs/dbraw/zinc/82/73/23/570827323.db2.gz WPTLCLKPAULYOF-QGZVFWFLSA-N -1 1 391.471 4.289 50 0 GIAAMM O=S(=O)([N-]c1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)OCCCO2 ZINC000016097213 570913765 /nfs/dbraw/zinc/91/37/65/570913765.db2.gz LTVDTAWNAOGCCJ-UHFFFAOYSA-N -1 1 393.464 4.220 50 0 GIAAMM O=C(Cc1c([O-])[nH]c2ccccc2c1=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000018068508 570922785 /nfs/dbraw/zinc/92/27/85/570922785.db2.gz HLZGLQNDYLCNME-UHFFFAOYSA-N -1 1 398.462 4.005 50 0 GIAAMM Cc1nc(SCc2nc(-c3ccccc3)no2)[n-]c(=O)c1Cc1ccccc1 ZINC000006704568 570938804 /nfs/dbraw/zinc/93/88/04/570938804.db2.gz PSMIZZICKGMTMA-UHFFFAOYSA-N -1 1 390.468 4.011 50 0 GIAAMM Cc1occc1C(=O)Nn1c(=O)c2c([n-]c1=S)sc1c2CCCCCC1 ZINC000017079520 570940456 /nfs/dbraw/zinc/94/04/56/570940456.db2.gz DWABTLMTOQUZJU-UHFFFAOYSA-N -1 1 389.502 4.065 50 0 GIAAMM Cc1occc1C(=O)[N-]n1c(=O)c2c3c(sc2[nH]c1=S)CCCCCC3 ZINC000017079520 570940459 /nfs/dbraw/zinc/94/04/59/570940459.db2.gz DWABTLMTOQUZJU-UHFFFAOYSA-N -1 1 389.502 4.065 50 0 GIAAMM CCc1ccc2nc(Nc3nc(-c4cccc(OC)c4)cc(=O)[n-]3)nc(C)c2c1 ZINC000017832041 570949133 /nfs/dbraw/zinc/94/91/33/570949133.db2.gz CVUQQQMBFQMECC-UHFFFAOYSA-N -1 1 387.443 4.003 50 0 GIAAMM O=C(Nc1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1)C1CC1 ZINC000015513107 571010167 /nfs/dbraw/zinc/01/01/67/571010167.db2.gz LFKRCHLYYFYJNV-UHFFFAOYSA-N -1 1 398.456 4.151 50 0 GIAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NCc2ccccc2Cl)cc1 ZINC000012775280 571028597 /nfs/dbraw/zinc/02/85/97/571028597.db2.gz MPDLPFNHMDMISF-UHFFFAOYSA-N -1 1 386.908 4.276 50 0 GIAAMM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1ccc(Br)c(F)c1 ZINC000095067961 571049640 /nfs/dbraw/zinc/04/96/40/571049640.db2.gz CULOVJJYBYUJKF-UHFFFAOYSA-N -1 1 382.613 4.182 50 0 GIAAMM CCn1c2ccccc2c2cc(C=C(Sc3nnc(C)[nH]3)C(=O)[O-])ccc21 ZINC000002397871 817387060 /nfs/dbraw/zinc/38/70/60/817387060.db2.gz QJWUADIYURQZNN-WOJGMQOQSA-N -1 1 378.457 4.459 50 0 GIAAMM CCn1c2ccccc2c2cc(C=C(Sc3n[nH]c(C)n3)C(=O)[O-])ccc21 ZINC000002397871 817387070 /nfs/dbraw/zinc/38/70/70/817387070.db2.gz QJWUADIYURQZNN-WOJGMQOQSA-N -1 1 378.457 4.459 50 0 GIAAMM O=S(=O)([N-]c1cccc(-c2nc3cccnc3s2)c1)c1ccc(F)cc1 ZINC000004036368 817498939 /nfs/dbraw/zinc/49/89/39/817498939.db2.gz LFAQWXWNGLWSHZ-UHFFFAOYSA-N -1 1 385.445 4.298 50 0 GIAAMM Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)co1 ZINC000021111014 818654395 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CC(C)SCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000024537186 570403146 /nfs/dbraw/zinc/40/31/46/570403146.db2.gz QGOTYMVRTMVQMG-UHFFFAOYSA-N -1 1 398.937 4.221 50 0 GIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000006270133 570474852 /nfs/dbraw/zinc/47/48/52/570474852.db2.gz JRJIAELXTMCXLB-UHFFFAOYSA-N -1 1 384.432 4.187 50 0 GIAAMM Cc1ccc(-c2cc(C(=O)[N-]c3ncn(Cc4ccccc4Cl)n3)no2)cc1 ZINC000002797783 570516103 /nfs/dbraw/zinc/51/61/03/570516103.db2.gz AGPPGJNDIRLWHZ-UHFFFAOYSA-N -1 1 393.834 4.196 50 0 GIAAMM CC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C)s1 ZINC000033007760 570620842 /nfs/dbraw/zinc/62/08/42/570620842.db2.gz QNTJXYBUIODOCC-UHFFFAOYSA-N -1 1 395.893 4.017 50 0 GIAAMM [O-]c1ccccc1-c1nnc2n1N=C(c1cccc(C(F)(F)F)c1)CS2 ZINC000004598356 570630080 /nfs/dbraw/zinc/63/00/80/570630080.db2.gz INILZZKBPBZGEB-UHFFFAOYSA-N -1 1 376.363 4.028 50 0 GIAAMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1Br ZINC000001206685 570713783 /nfs/dbraw/zinc/71/37/83/570713783.db2.gz SNWNXWNBFWOLHZ-UHFFFAOYSA-N -1 1 392.274 4.412 50 0 GIAAMM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)c(C)c1 ZINC000033086495 570808570 /nfs/dbraw/zinc/80/85/70/570808570.db2.gz FIKDYSYESCEHDA-UHFFFAOYSA-N -1 1 383.473 4.340 50 0 GIAAMM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102718972 570860269 /nfs/dbraw/zinc/86/02/69/570860269.db2.gz PCNQEOOTUOHJID-YPAWHYETSA-N -1 1 384.435 4.046 50 0 GIAAMM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000102738042 570860902 /nfs/dbraw/zinc/86/09/02/570860902.db2.gz JEELBLXZKKKFJU-YPAWHYETSA-N -1 1 384.435 4.046 50 0 GIAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c(Cl)c1 ZINC000045961625 571006481 /nfs/dbraw/zinc/00/64/81/571006481.db2.gz VPUKVULQMRJKNI-UHFFFAOYSA-N -1 1 398.937 4.137 50 0 GIAAMM CCCC[C@H]1CCCN1C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[n-]c1=O ZINC000091690202 571025954 /nfs/dbraw/zinc/02/59/54/571025954.db2.gz SQHXUWKEUTXHJE-WMVQRKQLSA-N -1 1 383.536 4.033 50 0 GIAAMM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[N-]c3nncs3)cc12 ZINC000003332108 817438388 /nfs/dbraw/zinc/43/83/88/817438388.db2.gz RIBUYKDGTRWPLK-UHFFFAOYSA-N -1 1 375.866 4.153 50 0 GIAAMM C[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccccc1 ZINC000003569697 817487547 /nfs/dbraw/zinc/48/75/47/817487547.db2.gz SHSVVGPNDSWNIC-HNNXBMFYSA-N -1 1 398.459 4.118 50 0 GIAAMM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccccc1Cl ZINC000005729546 817613204 /nfs/dbraw/zinc/61/32/04/817613204.db2.gz CFKDMPDIPBXVOF-UHFFFAOYSA-N -1 1 386.860 4.393 50 0 GIAAMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(-c3csc(C)n3)ccc2C)c1 ZINC000013358038 818210752 /nfs/dbraw/zinc/21/07/52/818210752.db2.gz HXLQAZACMYEESW-UHFFFAOYSA-N -1 1 386.498 4.430 50 0 GIAAMM O=S(=O)([N-]c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1 ZINC000021705391 818728629 /nfs/dbraw/zinc/72/86/29/818728629.db2.gz BZBJRPCCYIIYQY-UHFFFAOYSA-N -1 1 377.425 4.204 50 0 GIAAMM Cc1noc(-c2ccccc2[N-]S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)n1 ZINC000040119452 821141770 /nfs/dbraw/zinc/14/17/70/821141770.db2.gz FGFMZKUEOVHOTE-UHFFFAOYSA-N -1 1 385.489 4.388 50 0 GIAAMM COc1cccc(/N=c2\oc3cc([O-])ccc3cc2C(=O)Nc2nccs2)c1 ZINC000000876770 212190908 /nfs/dbraw/zinc/19/09/08/212190908.db2.gz HWDVZRGPXKJNCR-QOCHGBHMSA-N -1 1 393.424 4.088 50 0 GIAAMM O=c1cc(-c2ccccc2F)oc2ccc([N-]S(=O)(=O)c3ccccc3)cc12 ZINC000009572629 212147895 /nfs/dbraw/zinc/14/78/95/212147895.db2.gz FMLGNIFQTMEESY-UHFFFAOYSA-N -1 1 395.411 4.400 50 0 GIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(=O)[C@H]1C[C@H]1C ZINC000006859982 220972203 /nfs/dbraw/zinc/97/22/03/220972203.db2.gz FAEDMFOZOMROBO-WBMJQRKESA-N -1 1 378.881 4.044 50 0 GIAAMM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c1 ZINC000008961291 221065325 /nfs/dbraw/zinc/06/53/25/221065325.db2.gz XFZPFQPRTLHLSZ-UHFFFAOYSA-N -1 1 394.452 4.462 50 0 GIAAMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)c3ccccc3)c2C)cc1 ZINC000010112105 221097712 /nfs/dbraw/zinc/09/77/12/221097712.db2.gz GUSDOYBDENKXPN-UHFFFAOYSA-N -1 1 394.496 4.381 50 0 GIAAMM CCCC(CCC)C(=O)Nc1cc(-c2cccs2)nn1-c1nc(C)cc(=O)[n-]1 ZINC000011854343 221131838 /nfs/dbraw/zinc/13/18/38/221131838.db2.gz NJMGSOBGQQKFOF-UHFFFAOYSA-N -1 1 399.520 4.147 50 0 GIAAMM Cc1ccc(C)c(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000011903641 221134388 /nfs/dbraw/zinc/13/43/88/221134388.db2.gz AVISXYKENCQUAS-UHFFFAOYSA-N -1 1 393.512 4.017 50 0 GIAAMM CCCc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1 ZINC000011443223 221116010 /nfs/dbraw/zinc/11/60/10/221116010.db2.gz ILBWFYXUDVVFQE-SECBINFHSA-N -1 1 386.304 4.149 50 0 GIAAMM CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000011565892 221117063 /nfs/dbraw/zinc/11/70/63/221117063.db2.gz KTEFMXPWSLVPKW-UHFFFAOYSA-N -1 1 391.489 4.406 50 0 GIAAMM CCCc1cc(=O)[n-]c(SCC(=O)Nc2ccc(N(CC)C(C)C)cc2)n1 ZINC000012534034 221202601 /nfs/dbraw/zinc/20/26/01/221202601.db2.gz OQCCNVSGSHYFTR-UHFFFAOYSA-N -1 1 388.537 4.100 50 0 GIAAMM O=c1cc(-c2ccccc2)nc(SCc2nc(-c3ccccc3Cl)no2)[n-]1 ZINC000012414987 221190208 /nfs/dbraw/zinc/19/02/08/221190208.db2.gz SBIQVKDYXDCEKM-UHFFFAOYSA-N -1 1 396.859 4.433 50 0 aggregator GIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2NC(=O)Nc2ccccc2)cc1 ZINC000012728071 221222318 /nfs/dbraw/zinc/22/23/18/221222318.db2.gz XWIWNZDMTMFWCW-UHFFFAOYSA-N -1 1 381.457 4.440 50 0 GIAAMM Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2cccc3c2CCCC3)c1 ZINC000012741584 221223716 /nfs/dbraw/zinc/22/37/16/221223716.db2.gz VLMUWTUJVXTGDX-UHFFFAOYSA-N -1 1 378.501 4.434 50 0 GIAAMM O=C(Cn1c(=S)[n-]nc1-c1cccs1)Nc1cccc(Br)c1 ZINC000012814288 221236129 /nfs/dbraw/zinc/23/61/29/221236129.db2.gz CNJHWPNARQWWFX-UHFFFAOYSA-N -1 1 395.307 4.070 50 0 GIAAMM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000012980689 221252008 /nfs/dbraw/zinc/25/20/08/221252008.db2.gz RMQKUMIUGLDABL-UHFFFAOYSA-N -1 1 384.480 4.104 50 0 GIAAMM O=c1cc(-c2ccccc2)nc(SCCOCCSc2ccccc2)[n-]1 ZINC000014084374 221298518 /nfs/dbraw/zinc/29/85/18/221298518.db2.gz PZYWJEMBXVJQAD-UHFFFAOYSA-N -1 1 384.526 4.338 50 0 GIAAMM Cc1cc(=O)[n-]c(SCCCOc2ccc(Cl)cc2Br)n1 ZINC000014110008 221300300 /nfs/dbraw/zinc/30/03/00/221300300.db2.gz BEENYMSHDJOYLY-UHFFFAOYSA-N -1 1 389.702 4.468 50 0 GIAAMM O=C1S/C(=C/c2ccc([O-])c(Br)c2)C(=O)N1Cc1ccccc1 ZINC000015008783 221325890 /nfs/dbraw/zinc/32/58/90/221325890.db2.gz GVGMLQLDJYHBRK-OQLLNIDSSA-N -1 1 390.258 4.391 50 0 GIAAMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)CS2 ZINC000015730763 221342608 /nfs/dbraw/zinc/34/26/08/221342608.db2.gz IPIZPNDHCLODRB-CYBMUJFWSA-N -1 1 390.530 4.039 50 0 GIAAMM Cc1c(CNCc2ccccn2)c(C(=O)[O-])c(C)n1Cc1ccccc1Cl ZINC000015777015 221343960 /nfs/dbraw/zinc/34/39/60/221343960.db2.gz VRJFURBOAOECLN-UHFFFAOYSA-N -1 1 383.879 4.190 50 0 GIAAMM CCC(=O)Nc1nc2cc([N-]S(=O)(=O)c3cccc(Cl)c3)ccc2s1 ZINC000015870051 221350982 /nfs/dbraw/zinc/35/09/82/221350982.db2.gz VFKANJZGTWEGSS-UHFFFAOYSA-N -1 1 395.893 4.099 50 0 GIAAMM CC(C)Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c2cccnc21 ZINC000065242303 222114237 /nfs/dbraw/zinc/11/42/37/222114237.db2.gz PXGCYINCMBUKDK-UHFFFAOYSA-N -1 1 381.860 4.286 50 0 GIAAMM Cc1ccc(S(=O)(=O)[N-]c2ccnc(Sc3ccccn3)c2)cc1Cl ZINC000058297740 222049802 /nfs/dbraw/zinc/04/98/02/222049802.db2.gz MBELNSFJMFRPEL-UHFFFAOYSA-N -1 1 391.905 4.390 50 0 GIAAMM COc1cccc(-c2cc(=O)[n-]c(SCc3nc(-c4ccccc4)no3)n2)c1 ZINC000065330958 222124695 /nfs/dbraw/zinc/12/46/95/222124695.db2.gz BLKFRQIDKASVPZ-UHFFFAOYSA-N -1 1 392.440 4.200 50 0 GIAAMM O=C(NCc1ccco1)c1cc2ccc([O-])cc2o/c1=N\c1cc(F)ccc1F ZINC000067299242 222145442 /nfs/dbraw/zinc/14/54/42/222145442.db2.gz CUVYEASRLUNGGT-DAFNUICNSA-N -1 1 396.349 4.172 50 0 GIAAMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000069847781 222175507 /nfs/dbraw/zinc/17/55/07/222175507.db2.gz RPWYUCUWEYQABE-UHFFFAOYSA-N -1 1 387.288 4.397 50 0 GIAAMM COc1ccc(OC)c(-c2noc([N-]c3cc(Cl)c(OC)cc3OC)n2)c1 ZINC000085572067 222323802 /nfs/dbraw/zinc/32/38/02/222323802.db2.gz VRRDAUCMZJEJPP-UHFFFAOYSA-N -1 1 391.811 4.168 50 0 GIAAMM COc1cc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)ccc1NC(C)=O ZINC000089265530 222326450 /nfs/dbraw/zinc/32/64/50/222326450.db2.gz ZWZRGNIBHMCJLI-UHFFFAOYSA-N -1 1 396.468 4.121 50 0 GIAAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)cc1Cl ZINC000095067934 222329513 /nfs/dbraw/zinc/32/95/13/222329513.db2.gz AYWPFVHPUGYLRT-UHFFFAOYSA-N -1 1 378.650 4.351 50 0 GIAAMM O=c1cc2c(c3oc(-c4ccccc4)cc([O-])c1-3)[C@H](c1cccnc1)CC(=O)O2 ZINC000096113926 222381159 /nfs/dbraw/zinc/38/11/59/222381159.db2.gz SEVXFPQIHIGLBB-HNNXBMFYSA-N -1 1 385.375 4.002 50 0 GIAAMM CC1(C)CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc21 ZINC000096182902 222396930 /nfs/dbraw/zinc/39/69/30/222396930.db2.gz UTYIRISONYBETA-UHFFFAOYSA-N -1 1 398.406 4.126 50 0 GIAAMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc(COc2ccccc2)o1 ZINC000006125367 570264045 /nfs/dbraw/zinc/26/40/45/570264045.db2.gz RAUSERJJFJAEQH-UHFFFAOYSA-N -1 1 392.363 4.028 50 0 GIAAMM CCOc1ccc(N2C(=O)c3n[n-]c(-c4ccco4)c3[C@@H]2c2cccnc2)cc1 ZINC000005799633 570273788 /nfs/dbraw/zinc/27/37/88/570273788.db2.gz QDEQHFUBHIZKLU-NRFANRHFSA-N -1 1 386.411 4.213 50 0 GIAAMM O=C([O-])[C@@H](c1c[nH]c2ccc(Br)cc21)N1CCc2ccccc2C1 ZINC000020732381 570277453 /nfs/dbraw/zinc/27/74/53/570277453.db2.gz DJQJLWWBHBHXRI-GOSISDBHSA-N -1 1 385.261 4.114 50 0 GIAAMM Cc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(N)c1 ZINC000003153678 570331081 /nfs/dbraw/zinc/33/10/81/570331081.db2.gz KECUBTFASZKALN-UHFFFAOYSA-N -1 1 398.328 4.416 50 0 GIAAMM Cc1ccc2nc(C)c(C(=O)OCc3cc(=O)oc4cc([O-])ccc34)cc2c1 ZINC000024978449 570400900 /nfs/dbraw/zinc/40/09/00/570400900.db2.gz RFVJRLBLYDMICS-UHFFFAOYSA-N -1 1 375.380 4.021 50 0 GIAAMM O=C(c1cccs1)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3)ccc21 ZINC000005099620 570416767 /nfs/dbraw/zinc/41/67/67/570416767.db2.gz ZTCBAXVATXXQJY-UHFFFAOYSA-N -1 1 398.509 4.142 50 0 GIAAMM O=C([O-])c1cc(-n2c(-c3ccc4ccccc4n3)n[nH]c2=S)ccc1Cl ZINC000005906536 570461682 /nfs/dbraw/zinc/46/16/82/570461682.db2.gz ZDZHOSSQYHMSGJ-UHFFFAOYSA-N -1 1 382.832 4.497 50 0 GIAAMM Cc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1C ZINC000006553519 570476106 /nfs/dbraw/zinc/47/61/06/570476106.db2.gz WLPKAXGAROEKFI-UHFFFAOYSA-N -1 1 398.459 4.496 50 0 GIAAMM O=S(=O)([N-]c1cccc(Br)c1)c1ccc(C(F)(F)F)cc1 ZINC000007052626 570500440 /nfs/dbraw/zinc/50/04/40/570500440.db2.gz VSGKEYIJFHCCCL-UHFFFAOYSA-N -1 1 380.185 4.269 50 0 GIAAMM O=C(Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000006623275 570506730 /nfs/dbraw/zinc/50/67/30/570506730.db2.gz PXLZSCXLHCFQCB-UHFFFAOYSA-N -1 1 388.395 4.018 50 0 GIAAMM Cc1ccc(Cc2c(C)nc(Nc3nc(C)c4cccc(C)c4n3)[n-]c2=O)cc1 ZINC000009936645 570563127 /nfs/dbraw/zinc/56/31/27/570563127.db2.gz VILKSAKKKHHWAM-UHFFFAOYSA-N -1 1 385.471 4.281 50 0 GIAAMM COc1ccc(Cn2c3ccccc3c(CNCc3ccco3)c2C(=O)[O-])cc1 ZINC000006794015 570598247 /nfs/dbraw/zinc/59/82/47/570598247.db2.gz FGZSRVVIHRAEGC-UHFFFAOYSA-N -1 1 390.439 4.279 50 0 GIAAMM CCC(=O)Nc1nc2c(cc([N-]S(=O)(=O)c3cccc(C)c3)cc2C)s1 ZINC000033007738 570620913 /nfs/dbraw/zinc/62/09/13/570620913.db2.gz RYBCZJVGRKGEDQ-UHFFFAOYSA-N -1 1 389.502 4.062 50 0 GIAAMM O=S(=O)([N-]c1ccc(Br)c(C(F)(F)F)c1)c1ccccc1 ZINC000002853654 570721958 /nfs/dbraw/zinc/72/19/58/570721958.db2.gz YYTIJAMJFDUHOD-UHFFFAOYSA-N -1 1 380.185 4.269 50 0 GIAAMM COc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(F)c3)ccc2OC)cc1 ZINC000007423338 570840724 /nfs/dbraw/zinc/84/07/24/570840724.db2.gz FMSKBZTVTMUXBP-UHFFFAOYSA-N -1 1 387.432 4.311 50 0 GIAAMM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)C1CCC1 ZINC000012548424 570850303 /nfs/dbraw/zinc/85/03/03/570850303.db2.gz RNVYGUDTAJENPY-UHFFFAOYSA-N -1 1 398.406 4.245 50 0 GIAAMM CCCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000012552667 570856284 /nfs/dbraw/zinc/85/62/84/570856284.db2.gz QEVUCETYDJHFKM-UHFFFAOYSA-N -1 1 377.462 4.063 50 0 GIAAMM CCCOc1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1Br ZINC000012560782 570864828 /nfs/dbraw/zinc/86/48/28/570864828.db2.gz PUMJXYQFJONAJO-UHFFFAOYSA-N -1 1 384.295 4.347 50 0 GIAAMM 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