smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000014005022 206307911 /nfs/dbraw/zinc/30/79/11/206307911.db2.gz CVZLGAGLMIQNOR-UHFFFAOYSA-N 0 2 351.771 3.081 40 5 FGBBLN Cc1cc([N+](=O)[O-])c(Cl)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000006922036 493987671 /nfs/dbraw/zinc/98/76/71/493987671.db2.gz FNVJEUKADMYUGL-UHFFFAOYSA-N 0 2 371.758 3.266 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565588 499592503 /nfs/dbraw/zinc/59/25/03/499592503.db2.gz LMTLDACSZVTYGG-NQSCKRDGSA-N 0 2 373.412 3.362 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565588 499592504 /nfs/dbraw/zinc/59/25/04/499592504.db2.gz LMTLDACSZVTYGG-NQSCKRDGSA-N 0 2 373.412 3.362 40 5 FGBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2OCc2ccccc2)[nH]1 ZINC000006829530 204274508 /nfs/dbraw/zinc/27/45/08/204274508.db2.gz OYLFWFWQPODVJZ-ZHACJKMWSA-N 0 2 365.345 3.133 40 5 FGBBLN O=C1NC(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccc(Cl)cc1 ZINC000409175351 570735523 /nfs/dbraw/zinc/73/55/23/570735523.db2.gz XRELPEZZMDSMRW-MDWZMJQESA-N 0 2 359.725 3.051 40 5 FGBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[nH]1 ZINC000409322390 570750007 /nfs/dbraw/zinc/75/00/07/570750007.db2.gz WLSZQLVMSZTHGH-ALCCZGGFSA-N 0 2 370.277 3.135 40 5 FGBBLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000039973433 205048027 /nfs/dbraw/zinc/04/80/27/205048027.db2.gz VDOZRNLWJAXREJ-UHFFFAOYSA-N 0 2 356.787 3.366 40 5 FGBBLN O=C1S/C(=C\c2cc([N+](=O)[O-])c(O)cc2O)C(=O)N1c1ccccc1 ZINC000408816674 499595235 /nfs/dbraw/zinc/59/52/35/499595235.db2.gz UGQJSNBMOFEWFI-AUWJEWJLSA-N 0 2 358.331 3.247 40 5 FGBBLN Cc1ccc(Sc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1 ZINC000006477514 493964963 /nfs/dbraw/zinc/96/49/63/493964963.db2.gz KWOWUYAHBNSDLZ-XBXARRHUSA-N 0 2 371.374 3.194 40 5 FGBBLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000022259047 494518627 /nfs/dbraw/zinc/51/86/27/494518627.db2.gz XWMMFSRJVDWTHH-UHFFFAOYSA-N 0 2 356.787 3.366 40 5 FGBBLN C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000222571111 497025644 /nfs/dbraw/zinc/02/56/44/497025644.db2.gz VZOQWWJUUOLLMP-JQAFLVLXSA-N 0 2 356.407 3.285 40 5 FGBBLN O=C1NC(=Cc2ccc(O)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409100036 499595796 /nfs/dbraw/zinc/59/57/96/499595796.db2.gz PIHSOJSGCCBBEO-WUXMJOGZSA-N 0 2 359.725 3.051 40 5 FGBBLN O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O ZINC000408626365 499593436 /nfs/dbraw/zinc/59/34/36/499593436.db2.gz GULLTGNTSZFVBL-UHFFFAOYSA-N 0 2 365.798 3.010 40 5 FGBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[nH]1 ZINC000409311945 570586395 /nfs/dbraw/zinc/58/63/95/570586395.db2.gz ICWQOPLGEWYUEG-XQRVVYSFSA-N 0 2 370.277 3.135 40 5 FGBBLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000192705583 497190688 /nfs/dbraw/zinc/19/06/88/497190688.db2.gz YXHZNMATWLJIGN-UHFFFAOYSA-N 0 2 369.402 3.381 40 5 FGBBLN CC(C)c1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408564993 499592156 /nfs/dbraw/zinc/59/21/56/499592156.db2.gz GYOUBGGADPYBHG-NBHGPNQESA-N 0 2 365.433 3.332 40 5 FGBBLN CCCOc1ccc2ccccc2c1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000006324660 493959201 /nfs/dbraw/zinc/95/92/01/493959201.db2.gz AUNRLKTUWJYPHQ-CMDGGOBGSA-N 0 2 367.361 3.084 40 5 FGBBLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000223251958 497034248 /nfs/dbraw/zinc/03/42/48/497034248.db2.gz ROLFWEHLKRPBOU-UHFFFAOYSA-N 0 2 358.379 3.094 40 5 FGBBLN O=C1NC(=Cc2cccc([N+](=O)[O-])c2O)C(=O)N1c1ccc(Cl)cc1 ZINC000409173632 570583321 /nfs/dbraw/zinc/58/33/21/570583321.db2.gz NAQUWQYHJQWIMJ-XYOKQWHBSA-N 0 2 359.725 3.051 40 5 FGBBLN CCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)(F)F)n[nH]1 ZINC000078406590 210214304 /nfs/dbraw/zinc/21/43/04/210214304.db2.gz ITMPOTNOQYBZRF-UHFFFAOYSA-N 0 2 362.289 3.060 40 5 FGBBLN CC(C)c1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 ZINC000408564988 499592263 /nfs/dbraw/zinc/59/22/63/499592263.db2.gz GYOUBGGADPYBHG-LDQXTDLNSA-N 0 2 365.433 3.332 40 5 FGBBLN COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000408586927 499592374 /nfs/dbraw/zinc/59/23/74/499592374.db2.gz AERFHIDQEKUHKC-UHFFFAOYSA-N 0 2 356.787 3.366 40 5 FGBBLN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(C)C ZINC000409326265 570750823 /nfs/dbraw/zinc/75/08/23/570750823.db2.gz JDWIJFKKAJYHME-ALCCZGGFSA-N 0 2 361.354 3.152 40 5 FGBBLN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 ZINC000022259003 211344886 /nfs/dbraw/zinc/34/48/86/211344886.db2.gz AIXBKQIAVKWORL-UHFFFAOYSA-N 0 2 372.786 3.066 40 5 FGBBLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000113942589 495338917 /nfs/dbraw/zinc/33/89/17/495338917.db2.gz QCSDZFZTMQVJJY-UHFFFAOYSA-N 0 2 350.396 3.491 40 5 FGBBLN Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c(Cl)c1 ZINC000408627967 499593335 /nfs/dbraw/zinc/59/33/35/499593335.db2.gz OUEMQOBNSXWSQB-UHFFFAOYSA-N 0 2 365.798 3.389 40 5 FGBBLN Cc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000408626360 499593404 /nfs/dbraw/zinc/59/34/04/499593404.db2.gz GSVROVQAVMEUFA-UHFFFAOYSA-N 0 2 365.798 3.389 40 5 FGBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cc2ccccc2o1 ZINC000037089036 494101143 /nfs/dbraw/zinc/10/11/43/494101143.db2.gz YROIWQCYUCLBEW-UHFFFAOYSA-N 0 2 357.347 3.173 40 5 FGBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccccc3Cl)o2)[nH]1 ZINC000033669018 494062142 /nfs/dbraw/zinc/06/21/42/494062142.db2.gz OYAZBYGIMRKBSA-FNORWQNLSA-N 0 2 359.725 3.468 40 5 FGBBLN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000222570923 497026048 /nfs/dbraw/zinc/02/60/48/497026048.db2.gz VZOQWWJUUOLLMP-VFVAKGGASA-N 0 2 356.407 3.285 40 5 FGBBLN COc1ccc(Cl)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000408597742 499592830 /nfs/dbraw/zinc/59/28/30/499592830.db2.gz XVAKUESPEGQBLF-UHFFFAOYSA-N 0 2 356.787 3.366 40 5 FGBBLN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000260784359 497406375 /nfs/dbraw/zinc/40/63/75/497406375.db2.gz VZOQWWJUUOLLMP-UHNFBRDESA-N 0 2 356.407 3.285 40 5 FGBBLN Cc1ccc(S(=O)(=O)Nc2nnc(SC(C)C)s2)cc1[N+](=O)[O-] ZINC000223168095 497033321 /nfs/dbraw/zinc/03/33/21/497033321.db2.gz BVDABKOGXVIZDP-UHFFFAOYSA-N 0 2 374.469 3.056 40 5 FGBBLN O=C1N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl ZINC000408963130 570578726 /nfs/dbraw/zinc/57/87/26/570578726.db2.gz MWCDTSKVNDYPSN-QPEQYQDCSA-N 0 2 373.752 3.047 40 5 FGBBLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000022259067 220380872 /nfs/dbraw/zinc/38/08/72/220380872.db2.gz JBNUSOCCWDRLKQ-UHFFFAOYSA-N 0 2 372.786 3.066 40 5 FGBBLN CCCSc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000223725669 497042154 /nfs/dbraw/zinc/04/21/54/497042154.db2.gz XNMWFAPPPOWIFT-UHFFFAOYSA-N 0 2 374.469 3.058 40 5 FGBBLN CC(C)c1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408564991 499592088 /nfs/dbraw/zinc/59/20/88/499592088.db2.gz GYOUBGGADPYBHG-LRQRDZAKSA-N 0 2 365.433 3.332 40 5 FGBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(OCc3ccccc3)cc2)[nH]1 ZINC000033406367 494059634 /nfs/dbraw/zinc/05/96/34/494059634.db2.gz PXJPJGWBKXPMPQ-FLIBITNWSA-N 0 2 365.345 3.133 40 5 FGBBLN C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000222570989 497025926 /nfs/dbraw/zinc/02/59/26/497025926.db2.gz VZOQWWJUUOLLMP-HNHYXYPQSA-N 0 2 356.407 3.285 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565584 499592482 /nfs/dbraw/zinc/59/24/82/499592482.db2.gz LMTLDACSZVTYGG-AGHHOFFYSA-N 0 2 373.412 3.362 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565584 499592483 /nfs/dbraw/zinc/59/24/83/499592483.db2.gz LMTLDACSZVTYGG-AGHHOFFYSA-N 0 2 373.412 3.362 40 5 FGBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000035263721 263397595 /nfs/dbraw/zinc/39/75/95/263397595.db2.gz PXYOHFPAPLUMJZ-UHFFFAOYSA-N 0 2 351.771 3.081 40 5 FGBBLN CC(C)c1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 ZINC000408564995 499592417 /nfs/dbraw/zinc/59/24/17/499592417.db2.gz GYOUBGGADPYBHG-SCWSEQNSSA-N 0 2 365.433 3.332 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565591 499592392 /nfs/dbraw/zinc/59/23/92/499592392.db2.gz LMTLDACSZVTYGG-PIPMEXSNSA-N 0 2 373.412 3.362 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565591 499592396 /nfs/dbraw/zinc/59/23/96/499592396.db2.gz LMTLDACSZVTYGG-PIPMEXSNSA-N 0 2 373.412 3.362 40 5 FGBBLN CCOc1ccc2ccccc2c1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] ZINC000033458628 494060341 /nfs/dbraw/zinc/06/03/41/494060341.db2.gz QDHSEVDEAMFYJN-HJWRWDBZSA-N 0 2 353.334 3.106 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565593 499592582 /nfs/dbraw/zinc/59/25/82/499592582.db2.gz LMTLDACSZVTYGG-ZNLUXHQJSA-N 0 2 373.412 3.362 40 5 FGBBLN CN1C[C@H](c2cccc3ccccc32)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565593 499592584 /nfs/dbraw/zinc/59/25/84/499592584.db2.gz LMTLDACSZVTYGG-ZNLUXHQJSA-N 0 2 373.412 3.362 40 5 FGBBLN COc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000016101416 494377006 /nfs/dbraw/zinc/37/70/06/494377006.db2.gz XUHDRRZYPPXACI-UHFFFAOYSA-N 0 2 356.787 3.366 40 5 FGBBLN CCOC(=O)c1ccc(Sc2nc(C(F)(F)F)n[nH]2)c([N+](=O)[O-])c1 ZINC000078406559 521531601 /nfs/dbraw/zinc/53/16/01/521531601.db2.gz WGFGKCZQTWHODL-UHFFFAOYSA-N 0 2 362.289 3.060 40 5 FGBBLN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl ZINC000035263574 263397807 /nfs/dbraw/zinc/39/78/07/263397807.db2.gz AVQSSBNQXGWABG-UHFFFAOYSA-N 0 2 351.771 3.081 40 5 FGBBLN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000223257796 497034027 /nfs/dbraw/zinc/03/40/27/497034027.db2.gz GUQIOGWNRKQZLN-UHFFFAOYSA-N 0 2 356.787 3.448 40 5 FGBBLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)ccc1OC ZINC000022259055 211344063 /nfs/dbraw/zinc/34/40/63/211344063.db2.gz FTOYDUCOZUFDGK-UHFFFAOYSA-N 0 2 372.786 3.066 40 5 FGBBLN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000014255947 211089712 /nfs/dbraw/zinc/08/97/12/211089712.db2.gz AASRMNUAWPYWLF-UHFFFAOYSA-N 0 2 372.786 3.066 40 5 FGBBLN CCCSc1nnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000222536663 571143452 /nfs/dbraw/zinc/14/34/52/571143452.db2.gz QTNYAQVDDBYKFL-UHFFFAOYSA-N 0 2 374.469 3.058 40 5 FGBBLN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000019594111 211239372 /nfs/dbraw/zinc/23/93/72/211239372.db2.gz ZRAUQRPUZCCTTL-CFINBHSISA-N 0 2 371.418 3.462 40 5 FGBBLN O=C1N/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408963489 570704130 /nfs/dbraw/zinc/70/41/30/570704130.db2.gz OAYOOCVYMGIBNB-QPEQYQDCSA-N 0 2 373.752 3.047 40 5 FGBBLN O=C1N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1Cc1ccccc1 ZINC000409243222 570746324 /nfs/dbraw/zinc/74/63/24/570746324.db2.gz QRLDRQMSGSCPMZ-NTUHNPAUSA-N 0 2 373.752 3.047 40 5 FGBBLN C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000222571050 497026070 /nfs/dbraw/zinc/02/60/70/497026070.db2.gz VZOQWWJUUOLLMP-GTTSAUCSSA-N 0 2 356.407 3.285 40 5 FGBBLN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000409093409 570581699 /nfs/dbraw/zinc/58/16/99/570581699.db2.gz ZUBFSYILNCTLLS-UVTDQMKNSA-N 0 2 361.423 3.033 40 5 FGBBLN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)S2)cc1 ZINC000019594113 211239403 /nfs/dbraw/zinc/23/94/03/211239403.db2.gz ZRAUQRPUZCCTTL-FJJYYWMZSA-N 0 2 371.418 3.462 40 5 FGBBLN O=C1NC(=Cc2cc([N+](=O)[O-])ccc2O)C(=O)N1c1cccc(Cl)c1 ZINC000409071383 499595846 /nfs/dbraw/zinc/59/58/46/499595846.db2.gz NZRNJLXKHFCZIT-NTUHNPAUSA-N 0 2 359.725 3.051 40 5 FGBBLN O=C1NC(=O)C(=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)S1 ZINC000059417910 221126307 /nfs/dbraw/zinc/12/63/07/221126307.db2.gz SDIMPJUJDYDVAU-NTEUORMPSA-N 0 2 356.359 3.215 40 5 FGBBLN COc1ccc(NC(=S)Sc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000006398329 493962002 /nfs/dbraw/zinc/96/20/02/493962002.db2.gz PCBZPSVLKVNLCT-UHFFFAOYSA-N 0 2 363.420 3.191 40 5 FGBBLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(SC(C)C)s1 ZINC000224201087 497048781 /nfs/dbraw/zinc/04/87/81/497048781.db2.gz XRGMMKQNUYVYIY-UHFFFAOYSA-N 0 2 374.469 3.056 40 5 FGBBLN C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)S1 ZINC000260784352 497406276 /nfs/dbraw/zinc/40/62/76/497406276.db2.gz VZOQWWJUUOLLMP-HPEXNQPKSA-N 0 2 356.407 3.285 40 5 FGBBLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[nH]1 ZINC000409335328 570751608 /nfs/dbraw/zinc/75/16/08/570751608.db2.gz VJZJROFVJVVXIH-ALCCZGGFSA-N 0 2 370.277 3.135 40 5 FGBBLN COc1cc([N+](=O)[O-])cc2sc(NS(=O)(=O)c3ccccc3)nc21 ZINC000010010611 539510623 /nfs/dbraw/zinc/51/06/23/539510623.db2.gz FQTOUTKOLNRZFB-UHFFFAOYSA-N 0 2 365.392 3.014 40 5 FGBBLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000054585051 136125677 /nfs/dbraw/zinc/12/56/77/136125677.db2.gz RLQCUYWHJJGCEE-UHFFFAOYSA-N 0 2 361.423 3.386 40 5 FGBBLN O=c1nc2n(-c3ccc(N4CCCCC4)cc3)c3ccccc3cc-2c(=O)[nH]1 ZINC000005590248 493936448 /nfs/dbraw/zinc/93/64/48/493936448.db2.gz BYBNAYQJYQTONH-UHFFFAOYSA-N 0 2 372.428 3.169 40 5 FGBBLN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408557852 263470450 /nfs/dbraw/zinc/47/04/50/263470450.db2.gz OGUGOLKTHHRYOB-UHFFFAOYSA-N 0 2 356.787 3.448 40 5 FGBBLN O=C1NC(=Cc2cccc([N+](=O)[O-])c2O)C(=O)N1c1cccc(Cl)c1 ZINC000409066033 499595842 /nfs/dbraw/zinc/59/58/42/499595842.db2.gz JUCGLNKHKLEYMY-KPKJPENVSA-N 0 2 359.725 3.051 40 5 FGBBLN COCCCN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O ZINC000409233776 570744460 /nfs/dbraw/zinc/74/44/60/570744460.db2.gz XCLKMJUYDPZOAB-IZZDOVSWSA-N 0 2 372.786 3.027 40 5 FGBBLN