smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(I)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005557713 206241069 /nfs/dbraw/zinc/24/10/69/206241069.db2.gz HLOUUDXMDGXSRY-UHFFFAOYSA-N -1 1 373.215 3.400 40 0 FGABMM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000019936607 220306012 /nfs/dbraw/zinc/30/60/12/220306012.db2.gz GVHLUSYFSYERDR-UHFFFAOYSA-N -1 1 360.435 3.364 40 0 FGABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2oc1=O ZINC000019936768 220306161 /nfs/dbraw/zinc/30/61/61/220306161.db2.gz XLNLDIDHTWURIV-UHFFFAOYSA-N -1 1 366.826 3.377 40 0 FGABMM Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)ccc21 ZINC000019936558 220306891 /nfs/dbraw/zinc/30/68/91/220306891.db2.gz JRLSXYQFYSFYOA-UHFFFAOYSA-N -1 1 373.217 3.239 40 0 FGABMM COc1ccccc1-c1n[n-]c(=S)n1NCc1ccc2c(c1)OCO2 ZINC000008496619 263355229 /nfs/dbraw/zinc/35/52/29/263355229.db2.gz JAKFDIBXUOXLDA-UHFFFAOYSA-N -1 1 356.407 3.089 40 0 FGABMM COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3ccco3)C(=O)[O-])n2)c1 ZINC000007342138 494015685 /nfs/dbraw/zinc/01/56/85/494015685.db2.gz OBCUREHRZOINPT-ZROIWOOFSA-N -1 1 373.390 3.300 40 0 FGABMM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cc1 ZINC000108005405 494632407 /nfs/dbraw/zinc/63/24/07/494632407.db2.gz RKKKSJXWAZATND-UHFFFAOYSA-N -1 1 362.407 3.258 40 0 FGABMM CCOC(=O)C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000100257482 495064179 /nfs/dbraw/zinc/06/41/79/495064179.db2.gz HRCFAYNDHAZOKR-JKSUJKDBSA-N -1 1 357.793 3.176 40 0 FGABMM O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000223918183 497044837 /nfs/dbraw/zinc/04/48/37/497044837.db2.gz RBIDMNMHJSUVTO-KHYOSLBOSA-N -1 1 370.474 3.406 40 0 FGABMM O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000408607349 499593118 /nfs/dbraw/zinc/59/31/18/499593118.db2.gz LEBZBUBMMNPMPP-IBGZPJMESA-N -1 1 370.424 3.190 40 0 FGABMM C[C@@H]1CC[C@@H]2C(=O)N([N-]C(=O)c3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 ZINC000408652066 499593556 /nfs/dbraw/zinc/59/35/56/499593556.db2.gz ODRHBIUGJRQNPR-QRTLGDNMSA-N -1 1 355.221 3.059 40 0 FGABMM CN(C)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1 ZINC000033752989 522240053 /nfs/dbraw/zinc/24/00/53/522240053.db2.gz SXQMDQQBHFJUOD-UHFFFAOYSA-N -1 1 355.257 3.316 40 0 FGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1Cl ZINC000038753940 205041823 /nfs/dbraw/zinc/04/18/23/205041823.db2.gz YFJFDUIVWTWUJR-UHFFFAOYSA-N -1 1 353.827 3.459 40 0 FGABMM C[C@H]1CCCCN1Cc1ccc(C(=O)[O-])cc1I ZINC000039951848 205047050 /nfs/dbraw/zinc/04/70/50/205047050.db2.gz KPYKCFMYJUPGDR-JTQLQIEISA-N -1 1 359.207 3.364 40 0 FGABMM Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)[n-]c(=O)c1C ZINC000005045337 206187960 /nfs/dbraw/zinc/18/79/60/206187960.db2.gz INPFJANGEYDORS-UHFFFAOYSA-N -1 1 358.250 3.424 40 0 FGABMM CC(=O)Nc1ccc(-c2n[nH]c(SCc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000007605191 494029414 /nfs/dbraw/zinc/02/94/14/494029414.db2.gz BPGPJKHRJBJIQA-UHFFFAOYSA-N -1 1 368.418 3.421 40 0 FGABMM CCOc1cc(CNn2c(=S)[n-]nc2-c2ccncc2)ccc1OC ZINC000008254373 494079547 /nfs/dbraw/zinc/07/95/47/494079547.db2.gz JGWWKUNQUIBWQC-UHFFFAOYSA-N -1 1 357.439 3.154 40 0 FGABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000012199915 494213565 /nfs/dbraw/zinc/21/35/65/494213565.db2.gz RZHPTAJEOLOTBK-UHFFFAOYSA-N -1 1 372.446 3.012 40 0 FGABMM CSc1cccc([N-]S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c1 ZINC000078234681 494258979 /nfs/dbraw/zinc/25/89/79/494258979.db2.gz XSHKTXVAFIGOHE-UHFFFAOYSA-N -1 1 350.465 3.192 40 0 FGABMM Cc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CCCC2)c1 ZINC000223931686 497044695 /nfs/dbraw/zinc/04/46/95/497044695.db2.gz LAAZFAQWOSIJPV-UHFFFAOYSA-N -1 1 358.463 3.468 40 0 FGABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000225365089 497060023 /nfs/dbraw/zinc/06/00/23/497060023.db2.gz YRWKKFVSOLKGPK-UHFFFAOYSA-N -1 1 364.854 3.440 40 0 FGABMM O=C(c1ncccc1[O-])N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257334646 497404250 /nfs/dbraw/zinc/40/42/50/497404250.db2.gz YGUMWJBZYRPUHV-INIZCTEOSA-N -1 1 363.417 3.386 40 0 FGABMM O=C([O-])c1cc(-c2ccc([C@H]3[NH2+]C[C@@H](C(=O)[O-])S3)o2)ccc1Cl ZINC000408978446 499595498 /nfs/dbraw/zinc/59/54/98/499595498.db2.gz MDHZNMLJUBIMJZ-STQMWFEESA-N -1 1 353.783 3.086 40 0 FGABMM CC(C)C[C@H]1c2c(O)n(-c3ccccc3)c(O)c2ON1c1ccccc1 ZINC000102726660 206230110 /nfs/dbraw/zinc/23/01/10/206230110.db2.gz QJJLUJITDYPBBY-IPMKNSEASA-N -1 1 350.418 3.411 40 0 FGABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(C)C ZINC000193441298 206328316 /nfs/dbraw/zinc/32/83/16/206328316.db2.gz PGSSQHMFZHFAMT-UHFFFAOYSA-N -1 1 362.451 3.027 40 0 FGABMM CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc([O-])c(Cl)c2)C1=O ZINC000007070982 493999323 /nfs/dbraw/zinc/99/93/23/493999323.db2.gz BWMJASQMIIHXMF-MRACZJACSA-N -1 1 369.826 3.424 40 0 FGABMM O=C([O-])c1ccc(NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 ZINC000009063554 494114086 /nfs/dbraw/zinc/11/40/86/494114086.db2.gz KTPMBKMZAWLPCF-UHFFFAOYSA-N -1 1 356.397 3.375 40 0 FGABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000020488380 494474369 /nfs/dbraw/zinc/47/43/69/494474369.db2.gz IFILMOOWDABABN-UHFFFAOYSA-N -1 1 358.463 3.485 40 0 FGABMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl ZINC000020485535 494474810 /nfs/dbraw/zinc/47/48/10/494474810.db2.gz LGBZIBTUPPCPLS-UHFFFAOYSA-N -1 1 352.843 3.281 40 0 FGABMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)ccc1Cl ZINC000223830313 497043327 /nfs/dbraw/zinc/04/33/27/497043327.db2.gz CTDABHDXITUQLU-UHFFFAOYSA-N -1 1 367.810 3.130 40 0 FGABMM CSc1cccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000225674138 497072055 /nfs/dbraw/zinc/07/20/55/497072055.db2.gz LCCUWUZCHQVEDD-UHFFFAOYSA-N -1 1 366.489 3.123 40 0 FGABMM O=C(Cc1ccc(Cl)cc1Cl)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332353234 498659351 /nfs/dbraw/zinc/65/93/51/498659351.db2.gz BLPLNFSUMAOCID-JTQLQIEISA-N -1 1 356.209 3.031 40 0 FGABMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1C(=O)N1CCCC1 ZINC000408602169 499592781 /nfs/dbraw/zinc/59/27/81/499592781.db2.gz IAKSQVCJXBJXDM-UHFFFAOYSA-N -1 1 362.426 3.171 40 0 FGABMM Cc1nnc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)s1 ZINC000004999492 206186984 /nfs/dbraw/zinc/18/69/84/206186984.db2.gz OQONIRBCXNPIJB-VIFPVBQESA-N -1 1 373.463 3.128 40 0 FGABMM COc1ccccc1CN1CCc2nc3cc(C(C)(C)C)[n-]n3c(=O)c2C1 ZINC000012142908 494208049 /nfs/dbraw/zinc/20/80/49/494208049.db2.gz YGBQDCUSMLSSRL-UHFFFAOYSA-N -1 1 366.465 3.299 40 0 FGABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000078234975 494258929 /nfs/dbraw/zinc/25/89/29/494258929.db2.gz FNEMFHMADLCZQR-UHFFFAOYSA-N -1 1 352.843 3.432 40 0 FGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000020488557 494474826 /nfs/dbraw/zinc/47/48/26/494474826.db2.gz FCJYKMAJMQHLTG-UHFFFAOYSA-N -1 1 369.826 3.326 40 0 FGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000024256275 494616363 /nfs/dbraw/zinc/61/63/63/494616363.db2.gz ZSZJHBLEOJBTTK-UHFFFAOYSA-N -1 1 370.224 3.037 40 0 FGABMM CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)[O-])c2cc3ccccc3[nH]2)C1 ZINC000095635372 494989720 /nfs/dbraw/zinc/98/97/20/494989720.db2.gz OTVZQGGULAQQJD-PBHICJAKSA-N -1 1 373.453 3.283 40 0 FGABMM CN(Cc1ccco1)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000224074909 497046417 /nfs/dbraw/zinc/04/64/17/497046417.db2.gz ONVGYMDDDWLIQK-UHFFFAOYSA-N -1 1 370.430 3.353 40 0 FGABMM CC[C@@H](C)NC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000224036128 497046632 /nfs/dbraw/zinc/04/66/32/497046632.db2.gz CUAOVGJWSRAYGH-CYBMUJFWSA-N -1 1 362.451 3.024 40 0 FGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc1 ZINC000224740526 497053328 /nfs/dbraw/zinc/05/33/28/497053328.db2.gz BQVHQRXIDGHFPK-UHFFFAOYSA-N -1 1 363.435 3.290 40 0 FGABMM Cc1cc(Br)cc(C)c1NC(=O)CSc1nccc(=O)[n-]1 ZINC000408544383 499591881 /nfs/dbraw/zinc/59/18/81/499591881.db2.gz HRAMSLQTQBXHAQ-UHFFFAOYSA-N -1 1 368.256 3.292 40 0 FGABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC(C)C)c2)c1 ZINC000408596876 499592934 /nfs/dbraw/zinc/59/29/34/499592934.db2.gz SZGNQCOKHOLRLF-UHFFFAOYSA-N -1 1 374.462 3.137 40 0 FGABMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000004756968 204161461 /nfs/dbraw/zinc/16/14/61/204161461.db2.gz OAROCCNGUOCXRI-ZSZQSSIHSA-N -1 1 370.474 3.406 40 0 FGABMM Cc1cc(C)n(-c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)n1 ZINC000036633801 205018861 /nfs/dbraw/zinc/01/88/61/205018861.db2.gz JEROAAQHLQTOAL-ZDUSSCGKSA-N -1 1 362.842 3.028 40 0 FGABMM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000055651602 205221731 /nfs/dbraw/zinc/22/17/31/205221731.db2.gz HGUQGVJPDVENFB-UHFFFAOYSA-N -1 1 352.843 3.279 40 0 FGABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000055548952 205220700 /nfs/dbraw/zinc/22/07/00/205220700.db2.gz KKPNPTWFNLUQNU-UHFFFAOYSA-N -1 1 366.870 3.128 40 0 FGABMM Cc1nc(SCC(=O)Nc2ccccc2)[n-]c(=O)c1Cc1ccccc1 ZINC000018157442 206087896 /nfs/dbraw/zinc/08/78/96/206087896.db2.gz GQTMGGIJTMMTNE-UHFFFAOYSA-N -1 1 365.458 3.400 40 0 FGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1F ZINC000032585458 263392982 /nfs/dbraw/zinc/39/29/82/263392982.db2.gz RAHIVKXOYKVUEZ-UHFFFAOYSA-N -1 1 360.204 3.398 40 0 FGABMM O=C(CSc1nccc(=O)[n-]1)Nc1ccccc1Oc1ccccc1 ZINC000009291135 494119353 /nfs/dbraw/zinc/11/93/53/494119353.db2.gz NKDKAJYVBVIROU-UHFFFAOYSA-N -1 1 353.403 3.293 40 0 FGABMM CCc1c(C)nc2cc([C@@H]3CCCCN3Cc3ccncc3)[n-]n2c1=O ZINC000012222235 494215150 /nfs/dbraw/zinc/21/51/50/494215150.db2.gz JPGFNLXSPASIDX-SFHVURJKSA-N -1 1 351.454 3.428 40 0 FGABMM CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1OCC ZINC000016083749 494375958 /nfs/dbraw/zinc/37/59/58/494375958.db2.gz BXTFZVOCHWBPHA-NSHDSACASA-N -1 1 368.455 3.128 40 0 FGABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)NC)cc1 ZINC000223287365 497036019 /nfs/dbraw/zinc/03/60/19/497036019.db2.gz LXFTYGFWJNBUNS-JLHYYAGUSA-N -1 1 358.463 3.117 40 0 FGABMM CCCCc1c(C)nc(Nc2nc(C)c3cccc(OC)c3n2)[n-]c1=O ZINC000020673168 521257792 /nfs/dbraw/zinc/25/77/92/521257792.db2.gz HXKXLANQKXPWEZ-UHFFFAOYSA-N -1 1 353.426 3.425 40 0 FGABMM Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccco3)c2)c1 ZINC000008180810 204320592 /nfs/dbraw/zinc/32/05/92/204320592.db2.gz VJXUTJASWXJHPI-UHFFFAOYSA-N -1 1 370.430 3.319 40 0 FGABMM Cc1nnc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(=O)[n-]2)s1 ZINC000004999491 206187236 /nfs/dbraw/zinc/18/72/36/206187236.db2.gz OQONIRBCXNPIJB-SECBINFHSA-N -1 1 373.463 3.128 40 0 FGABMM COc1ccc(CNn2c(=S)[n-]nc2-c2ccccc2OC)cc1OC ZINC000008496575 263355191 /nfs/dbraw/zinc/35/51/91/263355191.db2.gz NFCOMAFJFATIQL-UHFFFAOYSA-N -1 1 372.450 3.377 40 0 FGABMM CCc1c(C)nc2cc([C@H]3CCCCN3Cc3ccncc3)[n-]n2c1=O ZINC000012222236 494215250 /nfs/dbraw/zinc/21/52/50/494215250.db2.gz JPGFNLXSPASIDX-GOSISDBHSA-N -1 1 351.454 3.428 40 0 FGABMM COc1ccc(C(=O)C=C([O-])C(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000101354833 495068017 /nfs/dbraw/zinc/06/80/17/495068017.db2.gz ATBQPUBHPVAWLU-UHFFFAOYSA-N -1 1 365.307 3.495 40 0 FGABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc2oc(=O)n(C)c2cc1C ZINC000223338945 497036685 /nfs/dbraw/zinc/03/66/85/497036685.db2.gz FVVBUBFKNRKMTC-UHFFFAOYSA-N -1 1 374.462 3.366 40 0 FGABMM CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@@H]2c1cccc([O-])c1Cl ZINC000261363315 497407018 /nfs/dbraw/zinc/40/70/18/497407018.db2.gz GTMIEWWYKWTVER-HNNXBMFYSA-O -1 1 373.845 3.190 40 0 FGABMM CCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000223409136 568652003 /nfs/dbraw/zinc/65/20/03/568652003.db2.gz HCVAUCMGXCFQAG-UHFFFAOYSA-N -1 1 362.451 3.404 40 0 FGABMM COC(=O)c1ccc(N2CCCC2)c(S(=O)(=O)[N-]c2ccc(C)cc2)c1 ZINC000223412107 568652111 /nfs/dbraw/zinc/65/21/11/568652111.db2.gz XHXYMVFFNFVRMY-UHFFFAOYSA-N -1 1 374.462 3.183 40 0 FGABMM COc1cc([C@@H]2NC[C@@H](C(=O)[O-])S2)ccc1OCc1ccc(F)cc1 ZINC000408980777 570707439 /nfs/dbraw/zinc/70/74/39/570707439.db2.gz XJVIHZVREYAYBF-DLBZAZTESA-N -1 1 363.410 3.202 40 0 FGABMM COc1ccc([C@@H]2OC3=Nc4cc(C)c(C)cc4NC3=C2[O-])cc1OC ZINC000001588481 204013714 /nfs/dbraw/zinc/01/37/14/204013714.db2.gz NZFHAWCEYPEAQD-HKUYNNGSSA-N -1 1 352.390 3.485 40 0 FGABMM CCC[C@H]1c2c(O)n(-c3ccc(OC)cc3)c(O)c2ON1c1ccccc1 ZINC000102692716 206229654 /nfs/dbraw/zinc/22/96/54/206229654.db2.gz PJKMBJVXWCXJEX-IPMKNSEASA-N -1 1 366.417 3.174 40 0 FGABMM CCc1ccccc1[N-]S(=O)(=O)c1cc2oc(=O)n(CC)c2cc1C ZINC000223353381 206438641 /nfs/dbraw/zinc/43/86/41/206438641.db2.gz HZYSPKUITSSNLD-UHFFFAOYSA-N -1 1 360.435 3.286 40 0 FGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1 ZINC000028196996 493778869 /nfs/dbraw/zinc/77/88/69/493778869.db2.gz NBLPTFPNYBGHSM-UHFFFAOYSA-N -1 1 369.826 3.244 40 0 FGABMM Cc1nnc([N-]c2cccc(C3CCN(Cc4ncc[nH]4)CC3)n2)s1 ZINC000072376173 494159476 /nfs/dbraw/zinc/15/94/76/494159476.db2.gz PAIZZBURPUHLLO-UHFFFAOYSA-N -1 1 355.471 3.088 40 0 FGABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC(C)(C)C)cc2)cc1 ZINC000022959938 494542963 /nfs/dbraw/zinc/54/29/63/494542963.db2.gz OULPQCVQWIUDMS-UHFFFAOYSA-N -1 1 362.451 3.024 40 0 FGABMM CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000095101315 494960594 /nfs/dbraw/zinc/96/05/94/494960594.db2.gz SSHXJDSMTQTKNW-DJPFJPOOSA-N -1 1 372.465 3.246 40 0 FGABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cc2oc(=O)[nH]c2cc1C ZINC000223321068 497035457 /nfs/dbraw/zinc/03/54/57/497035457.db2.gz QHXFYVPOQCPYFK-UHFFFAOYSA-N -1 1 360.435 3.355 40 0 FGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc3ccccc32)ccc1C ZINC000408586651 499592465 /nfs/dbraw/zinc/59/24/65/499592465.db2.gz AVTHLPAYSUQHSQ-UHFFFAOYSA-N -1 1 354.431 3.309 40 0 FGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)ccc1C ZINC000408594358 499592786 /nfs/dbraw/zinc/59/27/86/499592786.db2.gz ORCWRBGZRYNCJC-UHFFFAOYSA-N -1 1 352.843 3.117 40 0 FGABMM Cc1ccccc1C(=O)N1CCN([C@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408608961 499593143 /nfs/dbraw/zinc/59/31/43/499593143.db2.gz NGRBSHGMXNPWNY-HXUWFJFHSA-N -1 1 366.461 3.359 40 0 FGABMM O=C(C=Cc1ccco1)N1CCC[C@H]1c1nccnc1[N-]c1nccs1 ZINC000585292028 507586488 /nfs/dbraw/zinc/58/64/88/507586488.db2.gz IOEKQUQQKCHEBH-GJBLVYBDSA-N -1 1 367.434 3.069 40 0 FGABMM 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COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)ccc1Cl ZINC000008558472 494097165 /nfs/dbraw/zinc/09/71/65/494097165.db2.gz YGKMODZPJDIBSB-UHFFFAOYSA-N -1 1 373.789 3.075 40 0 FGABMM O=c1c2c([n-]n1-c1nc3ccccc3s1)[nH]c(Cc1ccccc1)cc2=O ZINC000010152699 494144433 /nfs/dbraw/zinc/14/44/33/494144433.db2.gz CIHYJELHJCJQGJ-UHFFFAOYSA-N -1 1 374.425 3.208 40 0 FGABMM O=c1cc(Cc2ccccc2)[nH]c2nn(-c3nc4ccccc4s3)c([O-])c21 ZINC000010152699 494144438 /nfs/dbraw/zinc/14/44/38/494144438.db2.gz CIHYJELHJCJQGJ-UHFFFAOYSA-N -1 1 374.425 3.208 40 0 FGABMM O=c1c2c([O-])cc(Cc3ccccc3)[nH]c-2nn1-c1nc2ccccc2s1 ZINC000010152699 494144442 /nfs/dbraw/zinc/14/44/42/494144442.db2.gz CIHYJELHJCJQGJ-UHFFFAOYSA-N -1 1 374.425 3.208 40 0 FGABMM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nc(-c2ccccc2)no1 ZINC000041151920 494150223 /nfs/dbraw/zinc/15/02/23/494150223.db2.gz LLTPMWYYTIAJPA-UHFFFAOYSA-N -1 1 363.826 3.010 40 0 FGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)c3ncccc23)cc1 ZINC000129627791 495272872 /nfs/dbraw/zinc/27/28/72/495272872.db2.gz RBWRECBHMXKUIF-UHFFFAOYSA-N -1 1 358.419 3.443 40 0 FGABMM CCOC(=O)C1=Cc2cc(Br)ccc2O[C@@]1([O-])C(F)(F)F ZINC000139247280 495474613 /nfs/dbraw/zinc/47/46/13/495474613.db2.gz FGXXWLCBNULWBV-GFCCVEGCSA-N -1 1 367.117 3.039 40 0 FGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC000223838120 497043491 /nfs/dbraw/zinc/04/34/91/497043491.db2.gz XBNXGIIFJPODSJ-UHFFFAOYSA-N -1 1 363.435 3.370 40 0 FGABMM Cc1cc(C(=O)NC2CC2)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000224005648 497046591 /nfs/dbraw/zinc/04/65/91/497046591.db2.gz CKCMYKYMYCOYLD-UHFFFAOYSA-N -1 1 364.854 3.341 40 0 FGABMM CSc1n[n+]2c(c(=O)[n-]1)-c1ccccc1N[C@H]2c1ccc([O-])c(Cl)c1 ZINC000261363186 497407479 /nfs/dbraw/zinc/40/74/79/497407479.db2.gz GJUKJSSBTHDVHN-OAHLLOKOSA-O -1 1 373.845 3.190 40 0 FGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1C ZINC000408600418 499592948 /nfs/dbraw/zinc/59/29/48/499592948.db2.gz AWMUOIHKNQVESN-UHFFFAOYSA-N -1 1 372.368 3.174 40 0 FGABMM O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000001062689 219361682 /nfs/dbraw/zinc/36/16/82/219361682.db2.gz OAROCCNGUOCXRI-GMBSWORKSA-N -1 1 370.474 3.406 40 0 FGABMM CCc1c(C)nc(S[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)[n-]c1=O ZINC000018176319 220226729 /nfs/dbraw/zinc/22/67/29/220226729.db2.gz OXXRPUAYZOPJJT-OAHLLOKOSA-N -1 1 371.462 3.094 40 0 FGABMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(SC)cc1)CC(=O)N2 ZINC000004944368 493902393 /nfs/dbraw/zinc/90/23/93/493902393.db2.gz KECYHHVSHPPWTP-GFCCVEGCSA-N -1 1 361.492 3.468 40 0 FGABMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1C(N)=O ZINC000032081282 493973292 /nfs/dbraw/zinc/97/32/92/493973292.db2.gz NCWDWBSMUDCMNK-UHFFFAOYSA-N -1 1 359.234 3.202 40 0 FGABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1 ZINC000223287849 497035923 /nfs/dbraw/zinc/03/59/23/497035923.db2.gz BGAZZPWIXZFIDQ-SDNWHVSQSA-N -1 1 366.442 3.400 40 0 FGABMM COCc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 ZINC000225188349 497058446 /nfs/dbraw/zinc/05/84/46/497058446.db2.gz QTNANAOAGUMAMO-UHFFFAOYSA-N -1 1 369.826 3.074 40 0 FGABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1NC(C)=O ZINC000225750724 497074046 /nfs/dbraw/zinc/07/40/46/497074046.db2.gz SIYQDBGGXPPSAK-UHFFFAOYSA-N -1 1 372.418 3.446 40 0 FGABMM COc1cc([O-])c(CC=C(C)C)c2c1C(=O)[C@H](O)[C@@H](c1ccc(O)cc1)O2 ZINC000197014212 291070688 /nfs/dbraw/zinc/07/06/88/291070688.db2.gz CTUJEHJOZXGIIE-VQTJNVASSA-N -1 1 370.401 3.292 40 0 biogenic,in-vitro FGABMM O=C1NC(=Cc2cccc(Br)c2[O-])C(=O)N1c1ccccc1 ZINC000016488409 220184732 /nfs/dbraw/zinc/18/47/32/220184732.db2.gz LIQCZZBCENGXNF-UKTHLTGXSA-N -1 1 359.179 3.252 40 0 FGABMM CC(C)CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000017172610 220209841 /nfs/dbraw/zinc/20/98/41/220209841.db2.gz QTVQBVVLEZGORT-UHFFFAOYSA-N -1 1 364.442 3.402 40 0 FGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(C)c(Cl)c3)cc2oc1=O ZINC000019936771 220306203 /nfs/dbraw/zinc/30/62/03/220306203.db2.gz XDAOPQNHPAOXDV-UHFFFAOYSA-N -1 1 366.826 3.377 40 0 FGABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2C ZINC000019936603 220307186 /nfs/dbraw/zinc/30/71/86/220307186.db2.gz WQZPDEUAVGYQIV-UHFFFAOYSA-N -1 1 360.435 3.057 40 0 FGABMM Cc1ccc2nc(C[C@H]3CN(C(=O)C(C)(C)C)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288524 263774516 /nfs/dbraw/zinc/77/45/16/263774516.db2.gz HFANEMFLQXMQET-GJZGRUSLSA-N -1 1 371.481 3.399 40 0 biogenic,in-vitro FGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1NC(C)=O ZINC000005126495 493914169 /nfs/dbraw/zinc/91/41/69/493914169.db2.gz SFIWTTARJMLESZ-UHFFFAOYSA-N -1 1 368.842 3.416 40 0 FGABMM Cc1cccc(-n2c(C)nc3nc(N4CCCC4)[n-]c(=O)c3c2=S)c1 ZINC000040386955 494142010 /nfs/dbraw/zinc/14/20/10/494142010.db2.gz QKULLVSYSOJQFB-UHFFFAOYSA-N -1 1 353.451 3.468 40 0 FGABMM COc1ccc(CN2CCC[C@@H]2c2ccnc([N-]c3ncccn3)n2)cc1 ZINC000072377436 494159365 /nfs/dbraw/zinc/15/93/65/494159365.db2.gz WSQHXYCZQSWDMI-GOSISDBHSA-N -1 1 362.437 3.356 40 0 FGABMM CCCCC[C@H](O)CC=C1C(=O)C=C(O)[C@@H]1CC=CCCCC(=O)[O-] ZINC000027642708 494878778 /nfs/dbraw/zinc/87/87/78/494878778.db2.gz LGMXPVXJSFPPTQ-DJUJBXLVSA-N -1 1 350.455 3.459 40 0 in-vitro FGABMM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1cccc2ccccc21 ZINC000223316093 497035749 /nfs/dbraw/zinc/03/57/49/497035749.db2.gz XPEOPZXLIDCXLV-UHFFFAOYSA-N -1 1 354.387 3.384 40 0 FGABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(F)cc2C)c1 ZINC000225594487 497068477 /nfs/dbraw/zinc/06/84/77/497068477.db2.gz JNPXDDWPRGTGIU-UHFFFAOYSA-N -1 1 351.399 3.420 40 0 FGABMM Cc1ccc(NC(=O)CN2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1 ZINC000408547687 499591911 /nfs/dbraw/zinc/59/19/11/499591911.db2.gz LHMRHNZHJKHSHH-UHFFFAOYSA-N -1 1 352.434 3.052 40 0 FGABMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2)cc1Cl ZINC000408588754 499592576 /nfs/dbraw/zinc/59/25/76/499592576.db2.gz YJNRLKQLMZQZDP-UHFFFAOYSA-N -1 1 369.826 3.326 40 0 FGABMM CSc1cccc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)c1 ZINC000408621360 499593173 /nfs/dbraw/zinc/59/31/73/499593173.db2.gz LENIBZWFILYKQR-UHFFFAOYSA-N -1 1 350.465 3.476 40 0 FGABMM Cc1ccc([C@@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000408613628 499593241 /nfs/dbraw/zinc/59/32/41/499593241.db2.gz YZNAKUPONGIUNY-HXUWFJFHSA-N -1 1 366.461 3.359 40 0 FGABMM O=C([O-])c1cc(-c2ccc([C@@H]3[NH2+]C[C@@H](C(=O)[O-])S3)o2)ccc1Cl ZINC000408978445 499595398 /nfs/dbraw/zinc/59/53/98/499595398.db2.gz MDHZNMLJUBIMJZ-QWHCGFSZSA-N -1 1 353.783 3.086 40 0 FGABMM O=C(c1ncccc1[O-])N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 ZINC000257231387 223030335 /nfs/dbraw/zinc/03/03/35/223030335.db2.gz GGMNVGQWESVBOD-INIZCTEOSA-N -1 1 367.380 3.482 40 0 FGABMM Cc1cc(C(=O)Nc2cccnc2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000013676963 220084744 /nfs/dbraw/zinc/08/47/44/220084744.db2.gz XRTYDSRHIZJYMN-UHFFFAOYSA-N -1 1 367.430 3.443 40 0 FGABMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCC3)cc2)c1 ZINC000013848774 220098229 /nfs/dbraw/zinc/09/82/29/220098229.db2.gz QIBRQLCARZQTRQ-UHFFFAOYSA-N -1 1 372.490 3.269 40 0 FGABMM CCOC(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000022199163 220378430 /nfs/dbraw/zinc/37/84/30/220378430.db2.gz WNCHPTFJUQTBOY-QGZVFWFLSA-N -1 1 353.374 3.158 40 0 FGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)c(C)s1 ZINC000006680022 493974105 /nfs/dbraw/zinc/97/41/05/493974105.db2.gz IHVTVWPZZYTZML-UHFFFAOYSA-N -1 1 352.481 3.142 40 0 FGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)s1 ZINC000006680079 493974188 /nfs/dbraw/zinc/97/41/88/493974188.db2.gz ONBJJAMGIZBDNL-UHFFFAOYSA-N -1 1 352.481 3.224 40 0 FGABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1 ZINC000078234715 494258990 /nfs/dbraw/zinc/25/89/90/494258990.db2.gz NEBVDROLNSMXCH-UHFFFAOYSA-N -1 1 352.843 3.432 40 0 FGABMM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1)oc(=O)n2C ZINC000223335906 497035983 /nfs/dbraw/zinc/03/59/83/497035983.db2.gz SIGHWYRCOOLDBW-UHFFFAOYSA-N -1 1 370.789 3.033 40 0 FGABMM COc1ccc([C@H](CC(C)C)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000225103605 497056426 /nfs/dbraw/zinc/05/64/26/497056426.db2.gz ANDNLIUUIRXLQV-INIZCTEOSA-N -1 1 352.456 3.366 40 0 FGABMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OCC)cc1)CC(=O)N2 ZINC000004944378 206185296 /nfs/dbraw/zinc/18/52/96/206185296.db2.gz CFJYEEFLRSLDAQ-CYBMUJFWSA-N -1 1 359.451 3.145 40 0 FGABMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 ZINC000021004031 206347991 /nfs/dbraw/zinc/34/79/91/206347991.db2.gz NWLCDXXGWBQYJL-UHFFFAOYSA-N -1 1 358.463 3.340 40 0 FGABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2oc1=O ZINC000019936763 220307256 /nfs/dbraw/zinc/30/72/56/220307256.db2.gz FSNYSIFQPCIVBW-UHFFFAOYSA-N -1 1 352.799 3.069 40 0 FGABMM CCCOc1ccc(S(=O)(=O)[N-]c2ccncc2)cc1OCCC ZINC000072414225 494167849 /nfs/dbraw/zinc/16/78/49/494167849.db2.gz KLPGIJXKFFKOKG-UHFFFAOYSA-N -1 1 350.440 3.460 40 0 FGABMM Cc1cccc(CN2CCCC[C@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)n1 ZINC000012337794 494225729 /nfs/dbraw/zinc/22/57/29/494225729.db2.gz OCRRSAKKMCBFFE-SFHVURJKSA-N -1 1 351.454 3.482 40 0 FGABMM N=C1SC(=Cc2ccc(OCCC(=O)[O-])cc2)C(O)=C1c1nccs1 ZINC000137531790 495444846 /nfs/dbraw/zinc/44/48/46/495444846.db2.gz 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ZINC000257302104 497401099 /nfs/dbraw/zinc/40/10/99/497401099.db2.gz SBOIAOHFTLGYSS-LBPRGKRZSA-N -1 1 354.435 3.221 40 0 FGABMM CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000408537294 499591924 /nfs/dbraw/zinc/59/19/24/499591924.db2.gz ZVRRYFBEEUQGFU-UHFFFAOYSA-N -1 1 374.466 3.224 40 0 FGABMM O=C(NCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000008180821 204320668 /nfs/dbraw/zinc/32/06/68/204320668.db2.gz SEWNIIWNVAEIAD-UHFFFAOYSA-N -1 1 374.393 3.150 40 0 FGABMM CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000064476743 205298595 /nfs/dbraw/zinc/29/85/95/205298595.db2.gz DUYQLAFZSVKKAR-UHFFFAOYSA-N -1 1 364.492 3.349 40 0 FGABMM COc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1F ZINC000007360964 263350471 /nfs/dbraw/zinc/35/04/71/263350471.db2.gz PMVVXVSIVYMMJF-UHFFFAOYSA-N -1 1 360.204 3.398 40 0 FGABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(SC)cc2)c1 ZINC000010112260 263362879 /nfs/dbraw/zinc/36/28/79/263362879.db2.gz ACUNUAXCTPHHAG-UHFFFAOYSA-N -1 1 351.449 3.386 40 0 FGABMM 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CCOC(=O)C1=C([O-])C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000100257468 495064206 /nfs/dbraw/zinc/06/42/06/495064206.db2.gz HRCFAYNDHAZOKR-CVEARBPZSA-N -1 1 357.793 3.176 40 0 FGABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1 ZINC000223288745 497036032 /nfs/dbraw/zinc/03/60/32/497036032.db2.gz RUWNZTNHZPUQAE-BJMVGYQFSA-N -1 1 364.854 3.208 40 0 FGABMM Cc1nc(Nc2nccnc2C2CC[NH+](Cc3cc[nH]n3)CC2)sc1C ZINC000257261148 497396133 /nfs/dbraw/zinc/39/61/33/497396133.db2.gz LFYLREBDWDEGGY-UHFFFAOYSA-N -1 1 369.498 3.396 40 0 FGABMM O=C([O-])c1ccccc1-c1cnc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)s1 ZINC000257302103 497401451 /nfs/dbraw/zinc/40/14/51/497401451.db2.gz SBOIAOHFTLGYSS-GFCCVEGCSA-N -1 1 354.435 3.221 40 0 FGABMM O=C([O-])c1ccccc1-c1cnc(CN2CC[C@@H](c3cc[nH]n3)C2)s1 ZINC000257302103 497401454 /nfs/dbraw/zinc/40/14/54/497401454.db2.gz SBOIAOHFTLGYSS-GFCCVEGCSA-N -1 1 354.435 3.221 40 0 FGABMM CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000017321790 204655343 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CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC)c(C)c2)cc1 ZINC000032585876 493997456 /nfs/dbraw/zinc/99/74/56/493997456.db2.gz UQLLKJNAGACVNV-UHFFFAOYSA-N -1 1 363.435 3.371 40 0 FGABMM Cc1cccc(CN2CCCC[C@@H]2c2cc3nc(C)c(C)c(=O)n3[n-]2)n1 ZINC000012337793 494225582 /nfs/dbraw/zinc/22/55/82/494225582.db2.gz OCRRSAKKMCBFFE-GOSISDBHSA-N -1 1 351.454 3.482 40 0 FGABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000055549495 494358475 /nfs/dbraw/zinc/35/84/75/494358475.db2.gz UXABIWDLSZYRMN-UHFFFAOYSA-N -1 1 360.479 3.289 40 0 FGABMM CCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000045616879 494445161 /nfs/dbraw/zinc/44/51/61/494445161.db2.gz AMQASJPMBLFCTD-UHFFFAOYSA-N -1 1 350.415 3.156 40 0 FGABMM CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)[O-])c2cc3ccccc3[nH]2)C1 ZINC000215747804 496983577 /nfs/dbraw/zinc/98/35/77/496983577.db2.gz OTVZQGGULAQQJD-WMLDXEAASA-N -1 1 373.453 3.283 40 0 FGABMM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000223228272 497033273 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Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1 ZINC000008033350 494061903 /nfs/dbraw/zinc/06/19/03/494061903.db2.gz CNYLKLFMCUFINC-UHFFFAOYSA-N -1 1 358.463 3.468 40 0 FGABMM O=C(COc1ccccc1C=C1SC(=O)[N-]C1=O)Nc1ccccc1 ZINC000012438124 494232758 /nfs/dbraw/zinc/23/27/58/494232758.db2.gz AWXWPTLIGKGTLZ-GDNBJRDFSA-N -1 1 354.387 3.028 40 0 FGABMM CC(C)OC(=O)[C@@H]1[C@@H](c2ccc(C(C)C)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000095101317 494960519 /nfs/dbraw/zinc/96/05/19/494960519.db2.gz SSHXJDSMTQTKNW-MDKPJZGXSA-N -1 1 372.465 3.246 40 0 FGABMM COc1ccc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)ccc2c1 ZINC000224604503 497051020 /nfs/dbraw/zinc/05/10/20/497051020.db2.gz WOKUZDPCPZZPIR-UHFFFAOYSA-N -1 1 357.387 3.378 40 0 FGABMM CSCC[C@H](NC(=O)C(C)(C)C)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019081765 220235668 /nfs/dbraw/zinc/23/56/68/220235668.db2.gz URVSROHKCVCAEG-LBPRGKRZSA-N -1 1 360.483 3.201 40 0 FGABMM O=S(=O)([N-]c1ccc2nn(-c3ccccc3)nc2c1)c1ccccc1 ZINC000003096660 493831447 /nfs/dbraw/zinc/83/14/47/493831447.db2.gz NOUQZIPGVIQSBI-UHFFFAOYSA-N -1 1 350.403 3.221 40 0 FGABMM CC(C)CN(CC(C)C)C(=O)CC(=O)[N-]C(=O)c1ccc(Cl)cc1 ZINC000003624713 493856648 /nfs/dbraw/zinc/85/66/48/493856648.db2.gz JSWKNNYUITZJHB-UHFFFAOYSA-N -1 1 352.862 3.127 40 0 FGABMM COc1cc(=O)c2c([O-])c(-c3cc(OC)c(OC)cc3OC)coc-2c1 ZINC000004716517 493888903 /nfs/dbraw/zinc/88/89/03/493888903.db2.gz KCWRISNCTMEKEV-UHFFFAOYSA-N -1 1 358.346 3.200 40 0 FGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c(C)c1 ZINC000010112352 494143979 /nfs/dbraw/zinc/14/39/79/494143979.db2.gz JBJKNMBSOOYCSF-UHFFFAOYSA-N -1 1 363.435 3.290 40 0 FGABMM COc1ccccc1CN1CCCC[C@@H]1c1cc2nc(C)cc(=O)n2[n-]1 ZINC000012337763 494225599 /nfs/dbraw/zinc/22/55/99/494225599.db2.gz LIQMUNDKMUXBPL-QGZVFWFLSA-N -1 1 352.438 3.479 40 0 FGABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC ZINC000408588788 499592550 /nfs/dbraw/zinc/59/25/50/499592550.db2.gz YRHSEKQSBOQJRK-UHFFFAOYSA-N -1 1 364.423 3.455 40 0 FGABMM Cc1cc2nc3s/c(=C\c4ccc([O-])c(Cl)c4)c(=O)n3c2cc1C ZINC000408785030 499594953 /nfs/dbraw/zinc/59/49/53/499594953.db2.gz XDJHUHDOJCQRFX-PXNMLYILSA-N -1 1 356.834 3.433 40 0 FGABMM CCOc1cc([C@H]2NC[C@H](C(=O)[O-])S2)ccc1OCc1ccccc1 ZINC000408976903 499595525 /nfs/dbraw/zinc/59/55/25/499595525.db2.gz HAAYBEDCSZMTHL-MSOLQXFVSA-N -1 1 359.447 3.453 40 0 FGABMM CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000019936599 220305927 /nfs/dbraw/zinc/30/59/27/220305927.db2.gz QOZYWEFBYSGPIM-UHFFFAOYSA-N -1 1 360.435 3.275 40 0 FGABMM COc1ccc(CN[C@H](C)c2onc(-c3cccnc3)c2C(=O)[O-])cc1 ZINC000096296902 222112247 /nfs/dbraw/zinc/11/22/47/222112247.db2.gz FSATXZBCRIBLSM-GFCCVEGCSA-N -1 1 353.378 3.294 40 0 biogenic,in-vitro FGABMM CCc1c(C)nc2cc([C@@H]3CCCC[N@H+]3Cc3cccnc3)[n-]n2c1=O ZINC000100146697 222237348 /nfs/dbraw/zinc/23/73/48/222237348.db2.gz ZGARNDFOMXMYIH-SFHVURJKSA-N -1 1 351.454 3.428 40 0 FGABMM CCc1c(C)nc2cc([C@@H]3CCCCN3Cc3cccnc3)[n-]n2c1=O ZINC000100146697 222237350 /nfs/dbraw/zinc/23/73/50/222237350.db2.gz ZGARNDFOMXMYIH-SFHVURJKSA-N -1 1 351.454 3.428 40 0 FGABMM COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000005133774 493915680 /nfs/dbraw/zinc/91/56/80/493915680.db2.gz KJHOMBURWDQZDT-UHFFFAOYSA-N -1 1 369.826 3.167 40 0 FGABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)ccc1Cl ZINC000008336423 494084782 /nfs/dbraw/zinc/08/47/82/494084782.db2.gz GVZYVENYGDAPEZ-UHFFFAOYSA-N -1 1 369.826 3.244 40 0 FGABMM O=S(=O)(Cc1ccccc1Cl)[N-]Cc1nc(-c2cccs2)no1 ZINC000036133444 494087928 /nfs/dbraw/zinc/08/79/28/494087928.db2.gz PCHYXOIJRPZZAT-UHFFFAOYSA-N -1 1 369.855 3.071 40 0 FGABMM Cc1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)ccc2o1 ZINC000012117110 494206249 /nfs/dbraw/zinc/20/62/49/494206249.db2.gz SVUSYKVJPXUISM-UHFFFAOYSA-N -1 1 356.403 3.427 40 0 FGABMM Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1ccccc1[O-] ZINC000014404796 494318447 /nfs/dbraw/zinc/31/84/47/494318447.db2.gz CFJIALMCWDPVNY-UHFFFAOYSA-N -1 1 350.378 3.237 40 0 FGABMM Cc1ccc2nc(C[C@H]3CN(C(=O)CC(C)C)CC[C@H]3CC(=O)[O-])[nH]c2c1 ZINC000514288423 560034887 /nfs/dbraw/zinc/03/48/87/560034887.db2.gz DWHILOQSYMCGFS-HOTGVXAUSA-N -1 1 371.481 3.399 40 0 biogenic,in-vitro FGABMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC3)ccc2C)cc1C ZINC000409411350 570757526 /nfs/dbraw/zinc/75/75/26/570757526.db2.gz GRTWZJRJULCTSA-UHFFFAOYSA-N -1 1 358.463 3.305 40 0 FGABMM CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000057121329 221084299 /nfs/dbraw/zinc/08/42/99/221084299.db2.gz JSKGFLGMJQCWHQ-CYBMUJFWSA-N -1 1 362.451 3.024 40 0 FGABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)cc1 ZINC000064475226 221147660 /nfs/dbraw/zinc/14/76/60/221147660.db2.gz CMHNCJOANKELCM-UHFFFAOYSA-N -1 1 362.476 3.102 40 0 FGABMM COc1cc(CNn2cn[n-]c2=S)ccc1OCc1ccc(F)cc1 ZINC000008471627 263355295 /nfs/dbraw/zinc/35/52/95/263355295.db2.gz QGUOPRJBQUKCHH-UHFFFAOYSA-N -1 1 360.414 3.411 40 0 FGABMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000028195970 493779056 /nfs/dbraw/zinc/77/90/56/493779056.db2.gz MTRJZVHNWPGHQY-UHFFFAOYSA-N -1 1 351.449 3.304 40 0 FGABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1NC(C)=O ZINC000007402263 494020340 /nfs/dbraw/zinc/02/03/40/494020340.db2.gz NAJTZSWTVPFIPW-UHFFFAOYSA-N -1 1 354.815 3.108 40 0 FGABMM COc1cc(C=C2SC(=O)[N-]C2=O)ccc1OC(=O)c1cccs1 ZINC000008112679 494068241 /nfs/dbraw/zinc/06/82/41/494068241.db2.gz HWQRZHSPRAXWHT-MDWZMJQESA-N -1 1 361.400 3.300 40 0 FGABMM Cc1cc(C)n(-c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)n1 ZINC000036633802 494094806 /nfs/dbraw/zinc/09/48/06/494094806.db2.gz JEROAAQHLQTOAL-CYBMUJFWSA-N -1 1 362.842 3.028 40 0 FGABMM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000223317959 497035723 /nfs/dbraw/zinc/03/57/23/497035723.db2.gz JPVIGYDKJIRYRC-UHFFFAOYSA-N -1 1 356.762 3.023 40 0 FGABMM CNC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000223288909 497035962 /nfs/dbraw/zinc/03/59/62/497035962.db2.gz BNAUQIKEFVAQQB-UXBLZVDNSA-N -1 1 364.854 3.208 40 0 FGABMM CCN(C(=O)CN1CCC(C(=O)[O-])(c2ccccc2)CC1)c1ccccc1 ZINC000408546420 499591892 /nfs/dbraw/zinc/59/18/92/499591892.db2.gz JEZUJAFBJBKBKJ-UHFFFAOYSA-N -1 1 366.461 3.158 40 0 FGABMM O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 ZINC000408606602 499592915 /nfs/dbraw/zinc/59/29/15/499592915.db2.gz IYCKSZGDZNSLCW-IBGZPJMESA-N -1 1 352.434 3.051 40 0 FGABMM CCOc1cc([C@H]2NC[C@@H](C(=O)[O-])S2)ccc1OCc1ccccc1 ZINC000408976907 499595412 /nfs/dbraw/zinc/59/54/12/499595412.db2.gz HAAYBEDCSZMTHL-ROUUACIJSA-N -1 1 359.447 3.453 40 0 FGABMM Cc1cc(C)nc([N-]c2nccnc2[C@@H]2CCCN2CC2CCOCC2)n1 ZINC000257309512 223060389 /nfs/dbraw/zinc/06/03/89/223060389.db2.gz UBFKMHOVHKGEPN-KRWDZBQOSA-N -1 1 368.485 3.191 40 0 FGABMM O=C(CCC1CCCC1)N1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019402823 220255749 /nfs/dbraw/zinc/25/57/49/220255749.db2.gz GSEIFWXAJUODKW-INIZCTEOSA-N -1 1 366.465 3.118 40 0 FGABMM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000019936751 220306149 /nfs/dbraw/zinc/30/61/49/220306149.db2.gz XILJAJIZYJJAIE-UHFFFAOYSA-N -1 1 360.435 3.286 40 0 FGABMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1 ZINC000055558721 221071641 /nfs/dbraw/zinc/07/16/41/221071641.db2.gz DSBJTRRGXBPUBI-UHFFFAOYSA-N -1 1 366.870 3.128 40 0 FGABMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccccc1C(F)(F)F)CC(=O)N2 ZINC000004944446 493902961 /nfs/dbraw/zinc/90/29/61/493902961.db2.gz CPDKUVNKEZZSQY-SECBINFHSA-N -1 1 369.368 3.375 40 0 FGABMM CCSc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000030851728 493909683 /nfs/dbraw/zinc/90/96/83/493909683.db2.gz IHVIULBBEFLKEI-UHFFFAOYSA-N -1 1 351.449 3.371 40 0 FGABMM CCOc1cc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc(Br)c1[O-] ZINC000006958636 493990063 /nfs/dbraw/zinc/99/00/63/493990063.db2.gz MFRNDJSDGNMICK-UWVGGRQHSA-N -1 1 374.300 3.338 40 0 FGABMM Cc1ccc(-n2c(C)nc3nc(N4CCCC4)[n-]c(=O)c3c2=S)cc1 ZINC000040386949 494141381 /nfs/dbraw/zinc/14/13/81/494141381.db2.gz WJNMNXMXASEGBI-UHFFFAOYSA-N -1 1 353.451 3.468 40 0 FGABMM O=C(NCc1ccco1)c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000047156132 494645096 /nfs/dbraw/zinc/64/50/96/494645096.db2.gz GKIAVXYFMWOFOZ-UHFFFAOYSA-N -1 1 356.403 3.010 40 0 FGABMM Cc1ccccc1C(=O)N1CCN([C@@H](CCC(=O)[O-])c2ccccc2)CC1 ZINC000408608958 499593227 /nfs/dbraw/zinc/59/32/27/499593227.db2.gz NGRBSHGMXNPWNY-FQEVSTJZSA-N -1 1 366.461 3.359 40 0 FGABMM Cc1ccc(C(=O)NC2CCCC2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000409383967 570754919 /nfs/dbraw/zinc/75/49/19/570754919.db2.gz RSQZUZDPVPGHJV-UHFFFAOYSA-N -1 1 358.463 3.468 40 0 FGABMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000019936782 220306876 /nfs/dbraw/zinc/30/68/76/220306876.db2.gz CJLUWYFABGDFBF-UHFFFAOYSA-N -1 1 370.789 3.208 40 0 FGABMM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(F)c(Cl)c3)ccc21 ZINC000068246991 221314254 /nfs/dbraw/zinc/31/42/54/221314254.db2.gz VCQWUTGGCNQMQM-UHFFFAOYSA-N -1 1 372.830 3.193 40 0 FGABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000030864899 493911021 /nfs/dbraw/zinc/91/10/21/493911021.db2.gz ZVJWFLSZGNVAPQ-UHFFFAOYSA-N -1 1 357.790 3.457 40 0 FGABMM O=C([O-])/C(=C/c1cc([N+](=O)[O-])ccc1O)Sc1nc2ccccc2[nH]1 ZINC000007342822 494016353 /nfs/dbraw/zinc/01/63/53/494016353.db2.gz PWWPIBQRAKCCLV-ZSOIEALJSA-N -1 1 357.347 3.395 40 0 FGABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 ZINC000007360980 494017848 /nfs/dbraw/zinc/01/78/48/494017848.db2.gz BZXDEROAQXTIIK-UHFFFAOYSA-N -1 1 363.435 3.406 40 0 FGABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC000024257366 494616403 /nfs/dbraw/zinc/61/64/03/494616403.db2.gz OERBKQCQCJKEND-UHFFFAOYSA-N -1 1 359.325 3.293 40 0 FGABMM CCCCC[C@@H](O)CC=C1C(=O)C=C(O)[C@H]1CC=CCCCC(=O)[O-] ZINC000027642702 494878925 /nfs/dbraw/zinc/87/89/25/494878925.db2.gz LGMXPVXJSFPPTQ-JMAQUCEESA-N -1 1 350.455 3.459 40 0 in-vitro FGABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000222988806 497031351 /nfs/dbraw/zinc/03/13/51/497031351.db2.gz WLJWXHVTQNYSDE-UHFFFAOYSA-N -1 1 363.410 3.221 40 0 FGABMM Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000223316994 497035702 /nfs/dbraw/zinc/03/57/02/497035702.db2.gz JQXLAODWUDKTQT-UHFFFAOYSA-N -1 1 352.799 3.192 40 0 FGABMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc2oc(=O)n(C)c2cc1C ZINC000223335091 497035706 /nfs/dbraw/zinc/03/57/06/497035706.db2.gz OOSIYAQXTVQMFV-UHFFFAOYSA-N -1 1 366.826 3.203 40 0 FGABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC3CC3)ccc2C)c1 ZINC000408543568 499591918 /nfs/dbraw/zinc/59/19/18/499591918.db2.gz FLSOODXHCCYUIJ-UHFFFAOYSA-N -1 1 358.463 3.305 40 0 FGABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)ccc1C ZINC000408586479 499592513 /nfs/dbraw/zinc/59/25/13/499592513.db2.gz AJEYDZOBRKZACK-UHFFFAOYSA-N -1 1 352.843 3.117 40 0 FGABMM Cc1ccc([C@H](CCC(=O)[O-])N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000408613627 499593000 /nfs/dbraw/zinc/59/30/00/499593000.db2.gz YZNAKUPONGIUNY-FQEVSTJZSA-N -1 1 366.461 3.359 40 0 FGABMM O=C(CSc1nc(-c2ccccc2)cc(=O)[n-]1)Nc1ccc(F)cc1 ZINC000013465363 220068913 /nfs/dbraw/zinc/06/89/13/220068913.db2.gz SMMWNNBKIRAIPO-UHFFFAOYSA-N -1 1 355.394 3.307 40 0 FGABMM CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1OCC ZINC000016083748 220177525 /nfs/dbraw/zinc/17/75/25/220177525.db2.gz BXTFZVOCHWBPHA-LLVKDONJSA-N -1 1 368.455 3.128 40 0 FGABMM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1)C1CCC1 ZINC000019369405 220252594 /nfs/dbraw/zinc/25/25/94/220252594.db2.gz NRRUUOZIXBFQPB-IBGZPJMESA-N -1 1 374.444 3.032 40 0 FGABMM CCc1c(C)nc2cc([C@H]3CCCC[N@H+]3Cc3cccnc3)[n-]n2c1=O ZINC000100146699 222237407 /nfs/dbraw/zinc/23/74/07/222237407.db2.gz ZGARNDFOMXMYIH-GOSISDBHSA-N -1 1 351.454 3.428 40 0 FGABMM CCc1c(C)nc2cc([C@H]3CCCCN3Cc3cccnc3)[n-]n2c1=O ZINC000100146699 222237410 /nfs/dbraw/zinc/23/74/10/222237410.db2.gz ZGARNDFOMXMYIH-GOSISDBHSA-N -1 1 351.454 3.428 40 0 FGABMM COc1cc(CNn2c(=S)[n-]nc2-c2ccccc2)cc(OC)c1OC ZINC000008469962 263355313 /nfs/dbraw/zinc/35/53/13/263355313.db2.gz KXDRVGCZCBTVTN-UHFFFAOYSA-N -1 1 372.450 3.377 40 0 FGABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCC(C)C)ccc2C)c1 ZINC000006024047 493948852 /nfs/dbraw/zinc/94/88/52/493948852.db2.gz HPXNXFJHZZTLGX-UHFFFAOYSA-N -1 1 360.479 3.490 40 0 FGABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc21 ZINC000006728915 493976262 /nfs/dbraw/zinc/97/62/62/493976262.db2.gz BHYMMVKDILSJCR-UHFFFAOYSA-N -1 1 350.827 3.050 40 0 FGABMM COc1ccc(-c2n[nH]c(=S)n2N=Cc2ccccc2C(=O)[O-])cc1 ZINC000019850086 494461953 /nfs/dbraw/zinc/46/19/53/494461953.db2.gz GGLFBCDYAQKQSA-UHFFFAOYSA-N -1 1 354.391 3.197 40 0 FGABMM Cc1ccc(C(=O)c2ccsc2[N-]C(=O)c2nnn(C(C)(C)C)n2)cc1 ZINC000622857482 571145729 /nfs/dbraw/zinc/14/57/29/571145729.db2.gz GYLSGVIWXCLQOB-UHFFFAOYSA-N -1 1 369.450 3.281 40 0 FGABMM CCN1C(=S)N=NC1c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013534006 220071594 /nfs/dbraw/zinc/07/15/94/220071594.db2.gz ZZNYCTOQKMUOKE-UHFFFAOYSA-N -1 1 360.464 3.055 40 0 FGABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2oc1=O ZINC000019936762 220307271 /nfs/dbraw/zinc/30/72/71/220307271.db2.gz UJIPMTLEQGIXFT-UHFFFAOYSA-N -1 1 352.799 3.069 40 0 FGABMM O=S(=O)([N-]c1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccccc1 ZINC000020610382 220336083 /nfs/dbraw/zinc/33/60/83/220336083.db2.gz IRWCPTAXAWKTFN-UHFFFAOYSA-N -1 1 368.393 3.360 40 0 FGABMM CCOc1ccc(CNn2c(=S)[n-]nc2-c2ccncc2)cc1OC ZINC000008324759 263354228 /nfs/dbraw/zinc/35/42/28/263354228.db2.gz LQGUOVJCYIIDQX-UHFFFAOYSA-N -1 1 357.439 3.154 40 0 FGABMM COc1cc([O-])c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O ZINC000005733766 493941422 /nfs/dbraw/zinc/94/14/22/493941422.db2.gz HHGPYJLEJGNWJA-UHFFFAOYSA-N -1 1 358.346 3.200 40 0 biogenic,in-vitro FGABMM Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NC1CCCC1 ZINC000010313908 494149241 /nfs/dbraw/zinc/14/92/41/494149241.db2.gz LDTZVDJQWKKJJV-UHFFFAOYSA-N -1 1 358.463 3.468 40 0 FGABMM CCc1cccc(CC)c1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000073768465 494425136 /nfs/dbraw/zinc/42/51/36/494425136.db2.gz POZAXERCTLVSHP-UHFFFAOYSA-N -1 1 367.492 3.016 40 0 FGABMM CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000223270881 497033858 /nfs/dbraw/zinc/03/38/58/497033858.db2.gz PIFLUWUXXWOIDY-UHFFFAOYSA-N -1 1 372.368 3.489 40 0 FGABMM Cc1ccc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)cc1Cl ZINC000223317253 497035719 /nfs/dbraw/zinc/03/57/19/497035719.db2.gz JPIQJNBECHSNJW-UHFFFAOYSA-N -1 1 352.799 3.192 40 0 FGABMM CCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000223983741 497045337 /nfs/dbraw/zinc/04/53/37/497045337.db2.gz DLUMYTDMHXSAHL-UHFFFAOYSA-N -1 1 362.451 3.026 40 0 FGABMM Cc1ccc(C)c(NC(=O)CN2CCC(C(=O)[O-])(c3ccccc3)CC2)c1 ZINC000408546647 499591894 /nfs/dbraw/zinc/59/18/94/499591894.db2.gz LCDJAFFAMJLUSV-UHFFFAOYSA-N -1 1 366.461 3.360 40 0 FGABMM CCOc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1Cl ZINC000408585613 499592459 /nfs/dbraw/zinc/59/24/59/499592459.db2.gz GZLQDNSENQDSFA-UHFFFAOYSA-N -1 1 368.842 3.498 40 0 FGABMM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 ZINC000408596885 499592834 /nfs/dbraw/zinc/59/28/34/499592834.db2.gz TXUQWOVCUWIAHY-UHFFFAOYSA-N -1 1 360.479 3.496 40 0 FGABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1C ZINC000408602811 499592925 /nfs/dbraw/zinc/59/29/25/499592925.db2.gz JAUVYINMSSQFHP-UHFFFAOYSA-N -1 1 352.843 3.199 40 0 FGABMM O=C([O-])CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000408608927 499593098 /nfs/dbraw/zinc/59/30/98/499593098.db2.gz MZMKODNGEBZXRC-IBGZPJMESA-N -1 1 370.424 3.190 40 0 FGABMM