smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102766341 569823126 /nfs/dbraw/zinc/82/31/26/569823126.db2.gz MIZCSTOGSNAMQH-HKBOAZHASA-N 0 3 467.840 4.438 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1 ZINC000104149909 569842032 /nfs/dbraw/zinc/84/20/32/569842032.db2.gz GBYKXNJAMLIMQC-BDTNDASRSA-N 0 3 479.876 4.308 40 5 JIBBHN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017950086 556272634 /nfs/dbraw/zinc/27/26/34/556272634.db2.gz INKGUAIAJDNUEY-VJBWXMMDSA-N 0 3 461.449 4.347 40 5 JIBBHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000018177513 556298392 /nfs/dbraw/zinc/29/83/92/556298392.db2.gz JOMCFRDCHSYCOG-FSSWDIPSSA-N 0 3 495.875 4.014 40 5 JIBBHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000101094959 569782340 /nfs/dbraw/zinc/78/23/40/569782340.db2.gz TVXUPODSUZCLEI-FKBYEOEOSA-N 0 3 479.876 4.308 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732481 569818270 /nfs/dbraw/zinc/81/82/70/569818270.db2.gz HVWIMHKWGKNUJZ-HKBOAZHASA-N 0 3 494.301 4.408 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000102732475 569818327 /nfs/dbraw/zinc/81/83/27/569818327.db2.gz HVWIMHKWGKNUJZ-ACRUOGEOSA-N 0 3 494.301 4.408 40 5 JIBBHN CC(=O)[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000008974856 554846329 /nfs/dbraw/zinc/84/63/29/554846329.db2.gz WVFGNIMBQFZYTP-MEWSVHOLSA-N 0 3 479.492 4.157 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000013645922 555550433 /nfs/dbraw/zinc/55/04/33/555550433.db2.gz KCPCMULNQZKOGI-HJOGWXRNSA-N 0 3 473.485 4.435 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000013660012 555555811 /nfs/dbraw/zinc/55/58/11/555555811.db2.gz ABHSKXFQMILWRZ-HJOGWXRNSA-N 0 3 473.485 4.435 40 5 JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000012017515 555885336 /nfs/dbraw/zinc/88/53/36/555885336.db2.gz YTBKTEVAVYLOSN-FHWLQOOXSA-N 0 3 455.879 4.361 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1 ZINC000096024011 569732020 /nfs/dbraw/zinc/73/20/20/569732020.db2.gz GBYKXNJAMLIMQC-FSSWDIPSSA-N 0 3 479.876 4.308 40 5 JIBBHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1 ZINC000102700022 569816231 /nfs/dbraw/zinc/81/62/31/569816231.db2.gz IFZCGEDPQUXAFJ-SLSDLSHTSA-N 0 3 459.458 4.045 40 5 JIBBHN Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2C(=O)C(F)(F)F)cc1 ZINC000252445459 570080858 /nfs/dbraw/zinc/08/08/58/570080858.db2.gz ISIIONQKHDSMJK-NNMXDRDESA-N 0 3 489.406 4.110 40 5 JIBBHN CCCCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004933873 520173967 /nfs/dbraw/zinc/17/39/67/520173967.db2.gz NWFFFYJXFAEUCR-UHFFFAOYSA-N 0 3 473.482 4.009 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000009210344 554979747 /nfs/dbraw/zinc/97/97/47/554979747.db2.gz WBNRSNDIXOEGFN-HBMCJLEFSA-N 0 3 494.301 4.408 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c1 ZINC000009235648 555009583 /nfs/dbraw/zinc/00/95/83/555009583.db2.gz WFWHOMVDKSSNJY-BDTNDASRSA-N 0 3 479.876 4.308 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c1 ZINC000013787923 555619786 /nfs/dbraw/zinc/61/97/86/555619786.db2.gz WFWHOMVDKSSNJY-FKBYEOEOSA-N 0 3 479.876 4.308 40 5 JIBBHN Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] ZINC000014277177 555785586 /nfs/dbraw/zinc/78/55/86/555785586.db2.gz UZZOISMTWWTZTQ-UHFFFAOYSA-N 0 3 489.601 4.352 40 5 JIBBHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000022711783 555946048 /nfs/dbraw/zinc/94/60/48/555946048.db2.gz NRSZQNJBMFMTPM-UHFFFAOYSA-N 0 3 475.574 4.044 40 5 JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000008741644 554644003 /nfs/dbraw/zinc/64/40/03/554644003.db2.gz NHZSTDKVUILCCA-HBMCJLEFSA-N 0 3 494.847 4.208 40 5 JIBBHN O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020154206 555673442 /nfs/dbraw/zinc/67/34/42/555673442.db2.gz JRIJSNTVGOHJEC-UHFFFAOYSA-N 0 3 461.887 4.033 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000011582419 555788203 /nfs/dbraw/zinc/78/82/03/555788203.db2.gz PXQIWNKHRHOWMU-VABKMULXSA-N 0 3 459.458 4.045 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000100615817 569765582 /nfs/dbraw/zinc/76/55/82/569765582.db2.gz PXQIWNKHRHOWMU-ZRBLBEILSA-N 0 3 459.458 4.045 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000101177458 569786254 /nfs/dbraw/zinc/78/62/54/569786254.db2.gz ZNSABAHOLSKQRR-ZLNRFVROSA-N 0 3 459.458 4.045 40 5 JIBBHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)CC1 ZINC000225563662 570005857 /nfs/dbraw/zinc/00/58/57/570005857.db2.gz DLICFCCGTOQCMB-UHFFFAOYSA-N 0 3 467.566 4.392 40 5 JIBBHN Cc1ccc(S(=O)(=O)Oc2ccc3sc4cccc(NCCN(C)C)c4c(=O)c3c2)cc1 ZINC000005487739 525625426 /nfs/dbraw/zinc/62/54/26/525625426.db2.gz OZBUPHRPNZMLFW-UHFFFAOYSA-N 0 3 468.600 4.464 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000096791732 569743078 /nfs/dbraw/zinc/74/30/78/569743078.db2.gz XUFBQHDQWQSUOO-HBMCJLEFSA-N 0 3 467.840 4.438 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000009412001 555178929 /nfs/dbraw/zinc/17/89/29/555178929.db2.gz KCPCMULNQZKOGI-VXNXHJTFSA-N 0 3 473.485 4.435 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c1 ZINC000018211360 556311266 /nfs/dbraw/zinc/31/12/66/556311266.db2.gz WFWHOMVDKSSNJY-FSSWDIPSSA-N 0 3 479.876 4.308 40 5 JIBBHN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] ZINC000022747783 555951816 /nfs/dbraw/zinc/95/18/16/555951816.db2.gz ADXUSOOTMWOLTD-UHFFFAOYSA-N 0 3 489.601 4.352 40 5 JIBBHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000018213113 556311547 /nfs/dbraw/zinc/31/15/47/556311547.db2.gz TVXUPODSUZCLEI-FSSWDIPSSA-N 0 3 479.876 4.308 40 5 JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000100634063 569765975 /nfs/dbraw/zinc/76/59/75/569765975.db2.gz YTBKTEVAVYLOSN-QYZOEREBSA-N 0 3 455.879 4.361 40 5 JIBBHN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000101166464 569785663 /nfs/dbraw/zinc/78/56/63/569785663.db2.gz JOMCFRDCHSYCOG-FKBYEOEOSA-N 0 3 495.875 4.014 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1F ZINC000102768248 569823458 /nfs/dbraw/zinc/82/34/58/569823458.db2.gz YPBYBVVATNWJDL-HBMCJLEFSA-N 0 3 467.840 4.438 40 5 JIBBHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000020798664 195226495 /nfs/dbraw/zinc/22/64/95/195226495.db2.gz HTTUXASJSJIZNV-LJQANCHMSA-N 0 3 451.479 4.040 40 5 JIBBHN CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000101203219 569787049 /nfs/dbraw/zinc/78/70/49/569787049.db2.gz WGZWDBGGJLQTEJ-VABKMULXSA-N 0 3 459.458 4.045 40 5 JIBBHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O ZINC000101203219 569787051 /nfs/dbraw/zinc/78/70/51/569787051.db2.gz WGZWDBGGJLQTEJ-VABKMULXSA-N 0 3 459.458 4.045 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101075914 569781613 /nfs/dbraw/zinc/78/16/13/569781613.db2.gz WBNRSNDIXOEGFN-HKBOAZHASA-N 0 3 494.301 4.408 40 5 JIBBHN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1 ZINC000409326350 570202151 /nfs/dbraw/zinc/20/21/51/570202151.db2.gz ASRKWZSYZGXPJN-FPYGCLRLSA-N 0 3 489.238 4.216 40 5 JIBBHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1 ZINC000009334840 555102242 /nfs/dbraw/zinc/10/22/42/555102242.db2.gz IFZCGEDPQUXAFJ-RQTOMXEWSA-N 0 3 459.458 4.045 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000101188273 569786471 /nfs/dbraw/zinc/78/64/71/569786471.db2.gz XXIMKWSBZNDJIM-SGNDLWITSA-N 0 3 473.485 4.435 40 5 JIBBHN CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102749453 569820718 /nfs/dbraw/zinc/82/07/18/569820718.db2.gz INKGUAIAJDNUEY-XPWALMASSA-N 0 3 461.449 4.347 40 5 JIBBHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000011582385 555788150 /nfs/dbraw/zinc/78/81/50/555788150.db2.gz OAHWDTQRGQNEJU-FKBYEOEOSA-N 0 3 479.876 4.308 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000018141519 556293393 /nfs/dbraw/zinc/29/33/93/556293393.db2.gz NMSXMQASPHSVCT-SMIHKQSGSA-N 0 3 473.485 4.435 40 5 JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000095909129 569729457 /nfs/dbraw/zinc/72/94/57/569729457.db2.gz NHZSTDKVUILCCA-HKBOAZHASA-N 0 3 494.847 4.208 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c1 ZINC000101217299 569787333 /nfs/dbraw/zinc/78/73/33/569787333.db2.gz YBVDIFBWHOGWLW-VSKRKVRLSA-N 0 3 479.876 4.308 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1 ZINC000101249540 569788027 /nfs/dbraw/zinc/78/80/27/569788027.db2.gz XFTLROUOYLTKNN-VSKRKVRLSA-N 0 3 497.866 4.447 40 5 JIBBHN Cc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2C(=O)C(F)(F)F)cc1 ZINC000008767672 554668217 /nfs/dbraw/zinc/66/82/17/554668217.db2.gz ISIIONQKHDSMJK-XQBPLPMBSA-N 0 3 489.406 4.110 40 5 JIBBHN COc1cc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000009312621 555088760 /nfs/dbraw/zinc/08/87/60/555088760.db2.gz DMYBEYYSUCWYDA-OXCBMLQPSA-N 0 3 487.468 4.205 40 5 JIBBHN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)o1 ZINC000020154376 555674200 /nfs/dbraw/zinc/67/42/00/555674200.db2.gz DWTSNHYTHNEPJA-WEVVVXLNSA-N 0 3 477.477 4.133 40 5 JIBBHN CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101206397 569787045 /nfs/dbraw/zinc/78/70/45/569787045.db2.gz LJXSTPREHRDJNC-FSSWDIPSSA-N 0 3 461.499 4.368 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000001316106 194083853 /nfs/dbraw/zinc/08/38/53/194083853.db2.gz XUFBQHDQWQSUOO-NJYVYQBISA-N 0 3 467.840 4.438 40 5 JIBBHN CCCCCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004933878 520073982 /nfs/dbraw/zinc/07/39/82/520073982.db2.gz KGEICEFSUWYAHL-UHFFFAOYSA-N 0 3 487.509 4.399 40 5 JIBBHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 ZINC000008898304 554788699 /nfs/dbraw/zinc/78/86/99/554788699.db2.gz ZYOKWWOVUDKROC-UHFFFAOYSA-N 0 3 479.562 4.124 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1 ZINC000033687854 569630840 /nfs/dbraw/zinc/63/08/40/569630840.db2.gz GBYKXNJAMLIMQC-VSKRKVRLSA-N 0 3 479.876 4.308 40 5 JIBBHN CC(=O)[C@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000008974854 554846307 /nfs/dbraw/zinc/84/63/07/554846307.db2.gz WVFGNIMBQFZYTP-YKKMPQLRSA-N 0 3 479.492 4.157 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000013758365 555611557 /nfs/dbraw/zinc/61/15/57/555611557.db2.gz XUFBQHDQWQSUOO-ACRUOGEOSA-N 0 3 467.840 4.438 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000101165433 569785399 /nfs/dbraw/zinc/78/53/99/569785399.db2.gz NMSXMQASPHSVCT-VXNXHJTFSA-N 0 3 473.485 4.435 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000101188279 569786445 /nfs/dbraw/zinc/78/64/45/569786445.db2.gz XXIMKWSBZNDJIM-VXNXHJTFSA-N 0 3 473.485 4.435 40 5 JIBBHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329061291 570183434 /nfs/dbraw/zinc/18/34/34/570183434.db2.gz WQNNBTNCZRBMTN-UHFFFAOYSA-N 0 3 496.877 4.165 40 5 JIBBHN CC(COC(=O)c1ccc([N+](=O)[O-])cc1)(COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000005047612 194403032 /nfs/dbraw/zinc/40/30/32/194403032.db2.gz CHQVDJTYMOVHLO-UHFFFAOYSA-N 0 3 485.493 4.198 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000013787379 555619751 /nfs/dbraw/zinc/61/97/51/555619751.db2.gz ZNSABAHOLSKQRR-VABKMULXSA-N 0 3 459.458 4.045 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000100920820 569775885 /nfs/dbraw/zinc/77/58/85/569775885.db2.gz KCPCMULNQZKOGI-SMIHKQSGSA-N 0 3 473.485 4.435 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 ZINC000009345850 555112146 /nfs/dbraw/zinc/11/21/46/555112146.db2.gz XFTLROUOYLTKNN-BDTNDASRSA-N 0 3 497.866 4.447 40 5 JIBBHN CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C(C)C)CC1 ZINC000035442689 560079669 /nfs/dbraw/zinc/07/96/69/560079669.db2.gz DBHIDFGMENWKLA-FIXSFTCYSA-N 0 3 481.597 4.206 40 5 biogenic,in-vitro JIBBHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1Br ZINC000102710923 569817025 /nfs/dbraw/zinc/81/70/25/569817025.db2.gz VUCDUKWQOFVHBX-HBMCJLEFSA-N 0 3 494.301 4.408 40 5 JIBBHN CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102761751 569822364 /nfs/dbraw/zinc/82/23/64/569822364.db2.gz LJXSTPREHRDJNC-BHIFYINESA-N 0 3 461.499 4.368 40 5 JIBBHN Cc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2C(=O)C(F)(F)F)cc1 ZINC000008767668 554668172 /nfs/dbraw/zinc/66/81/72/554668172.db2.gz ISIIONQKHDSMJK-CNNODRBYSA-N 0 3 489.406 4.110 40 5 JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000100634062 569765923 /nfs/dbraw/zinc/76/59/23/569765923.db2.gz YTBKTEVAVYLOSN-QRVBRYPASA-N 0 3 455.879 4.361 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c1 ZINC000101217290 569787388 /nfs/dbraw/zinc/78/73/88/569787388.db2.gz YBVDIFBWHOGWLW-FSSWDIPSSA-N 0 3 479.876 4.308 40 5 JIBBHN COc1cc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000009312623 555088782 /nfs/dbraw/zinc/08/87/82/555088782.db2.gz DMYBEYYSUCWYDA-VDVKDMFPSA-N 0 3 487.468 4.205 40 5 JIBBHN COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009313181 555089106 /nfs/dbraw/zinc/08/91/06/555089106.db2.gz SEURAFXKYPYKPI-QORCZRPOSA-N 0 3 471.469 4.499 40 5 JIBBHN COc1ccc([C@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009313179 555089165 /nfs/dbraw/zinc/08/91/65/555089165.db2.gz SEURAFXKYPYKPI-JBXUNAHCSA-N 0 3 471.469 4.499 40 5 JIBBHN COc1ccc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009313180 555089171 /nfs/dbraw/zinc/08/91/71/555089171.db2.gz SEURAFXKYPYKPI-NDBXHCKUSA-N 0 3 471.469 4.499 40 5 JIBBHN COc1ccc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000009313178 555089226 /nfs/dbraw/zinc/08/92/26/555089226.db2.gz SEURAFXKYPYKPI-LIONHTAISA-N 0 3 471.469 4.499 40 5 JIBBHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C1=O ZINC000009356704 555121926 /nfs/dbraw/zinc/12/19/26/555121926.db2.gz WGZWDBGGJLQTEJ-ZLNRFVROSA-N 0 3 459.458 4.045 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000018102155 556288049 /nfs/dbraw/zinc/28/80/49/556288049.db2.gz ZNSABAHOLSKQRR-VJBWXMMDSA-N 0 3 459.458 4.045 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c1 ZINC000101185698 569786382 /nfs/dbraw/zinc/78/63/82/569786382.db2.gz WFWHOMVDKSSNJY-VSKRKVRLSA-N 0 3 479.876 4.308 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1F ZINC000102768250 569823493 /nfs/dbraw/zinc/82/34/93/569823493.db2.gz YPBYBVVATNWJDL-NJYVYQBISA-N 0 3 467.840 4.438 40 5 JIBBHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000014277261 555785563 /nfs/dbraw/zinc/78/55/63/555785563.db2.gz HARVGGHGKZCGPX-UHFFFAOYSA-N 0 3 479.562 4.124 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1 ZINC000025560043 556221244 /nfs/dbraw/zinc/22/12/44/556221244.db2.gz GBYKXNJAMLIMQC-FKBYEOEOSA-N 0 3 479.876 4.308 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000096791731 569743016 /nfs/dbraw/zinc/74/30/16/569743016.db2.gz XUFBQHDQWQSUOO-HKBOAZHASA-N 0 3 467.840 4.438 40 5 JIBBHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000100562477 569764803 /nfs/dbraw/zinc/76/48/03/569764803.db2.gz OAHWDTQRGQNEJU-FSSWDIPSSA-N 0 3 479.876 4.308 40 5 JIBBHN CCOc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000101203223 569787035 /nfs/dbraw/zinc/78/70/35/569787035.db2.gz WGZWDBGGJLQTEJ-ZRBLBEILSA-N 0 3 459.458 4.045 40 5 JIBBHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O ZINC000101203223 569787036 /nfs/dbraw/zinc/78/70/36/569787036.db2.gz WGZWDBGGJLQTEJ-ZRBLBEILSA-N 0 3 459.458 4.045 40 5 JIBBHN COc1cc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000009312620 555088826 /nfs/dbraw/zinc/08/88/26/555088826.db2.gz DMYBEYYSUCWYDA-KTJVCJKDSA-N 0 3 487.468 4.205 40 5 JIBBHN COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000022108532 555875557 /nfs/dbraw/zinc/87/55/57/555875557.db2.gz UHOGIDQKRDSFHD-UHFFFAOYSA-N 0 3 487.896 4.283 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000217430914 569879988 /nfs/dbraw/zinc/87/99/88/569879988.db2.gz BZSCIBJFJDDIMP-NJYVYQBISA-N 0 3 494.847 4.208 40 5 JIBBHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000225563570 570005840 /nfs/dbraw/zinc/00/58/40/570005840.db2.gz LRPYYADXRHVRNA-UHFFFAOYSA-N 0 3 453.539 4.146 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000101165426 569785404 /nfs/dbraw/zinc/78/54/04/569785404.db2.gz NMSXMQASPHSVCT-SGNDLWITSA-N 0 3 473.485 4.435 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000013805556 555623228 /nfs/dbraw/zinc/62/32/28/555623228.db2.gz IKRQVWJBYZXCQS-ACRUOGEOSA-N 0 3 467.840 4.438 40 5 JIBBHN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCNCC4)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 ZINC000020154375 555674104 /nfs/dbraw/zinc/67/41/04/555674104.db2.gz OEIMKZRMZSAAJE-WEVVVXLNSA-N 0 3 477.477 4.133 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000101075913 569781600 /nfs/dbraw/zinc/78/16/00/569781600.db2.gz WBNRSNDIXOEGFN-NJYVYQBISA-N 0 3 494.301 4.408 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000006142192 554508464 /nfs/dbraw/zinc/50/84/64/554508464.db2.gz PXQIWNKHRHOWMU-ZLNRFVROSA-N 0 3 459.458 4.045 40 5 JIBBHN O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000013787060 555619449 /nfs/dbraw/zinc/61/94/49/555619449.db2.gz WBNRSNDIXOEGFN-ACRUOGEOSA-N 0 3 494.301 4.408 40 5 JIBBHN COc1c(Br)cc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1 ZINC000016194482 556128663 /nfs/dbraw/zinc/12/86/63/556128663.db2.gz DLWSCGXGJBAXRH-UHFFFAOYSA-N 0 3 459.138 4.330 40 5 JIBBHN Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2C(=O)C(F)(F)F)cc1 ZINC000017610648 556262751 /nfs/dbraw/zinc/26/27/51/556262751.db2.gz ISIIONQKHDSMJK-WOIUINJBSA-N 0 3 489.406 4.110 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000018062882 556281890 /nfs/dbraw/zinc/28/18/90/556281890.db2.gz XXIMKWSBZNDJIM-HJOGWXRNSA-N 0 3 473.485 4.435 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000100615809 569765585 /nfs/dbraw/zinc/76/55/85/569765585.db2.gz PXQIWNKHRHOWMU-VJBWXMMDSA-N 0 3 459.458 4.045 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 ZINC000102762137 569822300 /nfs/dbraw/zinc/82/23/00/569822300.db2.gz IKRQVWJBYZXCQS-HKBOAZHASA-N 0 3 467.840 4.438 40 5 JIBBHN COC(=O)c1c(C)nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c1-c1cccc([N+](=O)[O-])c1 ZINC000022055545 555866964 /nfs/dbraw/zinc/86/69/64/555866964.db2.gz GROZWIBBDLLXKU-UHFFFAOYSA-N 0 3 477.517 4.349 40 5 in-vitro JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000095909130 569729454 /nfs/dbraw/zinc/72/94/54/569729454.db2.gz NHZSTDKVUILCCA-NJYVYQBISA-N 0 3 494.847 4.208 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000100952678 569777737 /nfs/dbraw/zinc/77/77/37/569777737.db2.gz ABHSKXFQMILWRZ-VXNXHJTFSA-N 0 3 473.485 4.435 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Br ZINC000102710927 569817002 /nfs/dbraw/zinc/81/70/02/569817002.db2.gz VUCDUKWQOFVHBX-NJYVYQBISA-N 0 3 494.301 4.408 40 5 JIBBHN CCOc1ccccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C1=O ZINC000013804791 555623031 /nfs/dbraw/zinc/62/30/31/555623031.db2.gz WGZWDBGGJLQTEJ-VJBWXMMDSA-N 0 3 459.458 4.045 40 5 JIBBHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000006142148 524397273 /nfs/dbraw/zinc/39/72/73/524397273.db2.gz OAHWDTQRGQNEJU-VSKRKVRLSA-N 0 3 479.876 4.308 40 5 JIBBHN CC(=O)[C@@H]1C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000008974855 554846286 /nfs/dbraw/zinc/84/62/86/554846286.db2.gz WVFGNIMBQFZYTP-KALPRAJFSA-N 0 3 479.492 4.157 40 5 JIBBHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@]32C)cc1 ZINC000009334839 555102220 /nfs/dbraw/zinc/10/22/20/555102220.db2.gz IFZCGEDPQUXAFJ-TZBSWOFLSA-N 0 3 459.458 4.045 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1 ZINC000009501937 555286362 /nfs/dbraw/zinc/28/63/62/555286362.db2.gz YBVDIFBWHOGWLW-BDTNDASRSA-N 0 3 479.876 4.308 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000013811062 555626844 /nfs/dbraw/zinc/62/68/44/555626844.db2.gz MIZCSTOGSNAMQH-ACRUOGEOSA-N 0 3 467.840 4.438 40 5 JIBBHN COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2c(F)cccc2Cl)c1 ZINC000013811339 555627760 /nfs/dbraw/zinc/62/77/60/555627760.db2.gz XFTLROUOYLTKNN-FKBYEOEOSA-N 0 3 497.866 4.447 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 ZINC000013811339 555627763 /nfs/dbraw/zinc/62/77/63/555627763.db2.gz XFTLROUOYLTKNN-FKBYEOEOSA-N 0 3 497.866 4.447 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1 ZINC000018068397 556283601 /nfs/dbraw/zinc/28/36/01/556283601.db2.gz XFTLROUOYLTKNN-FSSWDIPSSA-N 0 3 497.866 4.447 40 5 JIBBHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000102738381 569818985 /nfs/dbraw/zinc/81/89/85/569818985.db2.gz TVXUPODSUZCLEI-BHIFYINESA-N 0 3 479.876 4.308 40 5 JIBBHN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102761749 569822326 /nfs/dbraw/zinc/82/23/26/569822326.db2.gz LJXSTPREHRDJNC-FDFHNCONSA-N 0 3 461.499 4.368 40 5 JIBBHN COc1cc([C@@H]2C([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000009312622 194685890 /nfs/dbraw/zinc/68/58/90/194685890.db2.gz DMYBEYYSUCWYDA-PQVVKJAFSA-N 0 3 487.468 4.205 40 5 JIBBHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000020798661 195226506 /nfs/dbraw/zinc/22/65/06/195226506.db2.gz HTTUXASJSJIZNV-IBGZPJMESA-N 0 3 451.479 4.040 40 5 JIBBHN COc1cccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1 ZINC000018059707 556281514 /nfs/dbraw/zinc/28/15/14/556281514.db2.gz YBVDIFBWHOGWLW-FKBYEOEOSA-N 0 3 479.876 4.308 40 5 JIBBHN COCCN1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C(C)C)CC1 ZINC000035442696 560079606 /nfs/dbraw/zinc/07/96/06/560079606.db2.gz MCZGJBLURXPFBX-LSQMVHIFSA-N 0 3 497.640 4.306 40 5 biogenic,in-vitro JIBBHN COc1ccc(N2C(=O)C3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 ZINC000095528618 569725365 /nfs/dbraw/zinc/72/53/65/569725365.db2.gz OAHWDTQRGQNEJU-BDTNDASRSA-N 0 3 479.876 4.308 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000100952671 569777747 /nfs/dbraw/zinc/77/77/47/569777747.db2.gz ABHSKXFQMILWRZ-SGNDLWITSA-N 0 3 473.485 4.435 40 5 JIBBHN CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101130523 569783969 /nfs/dbraw/zinc/78/39/69/569783969.db2.gz INKGUAIAJDNUEY-VABKMULXSA-N 0 3 461.449 4.347 40 5 JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004163353 194381940 /nfs/dbraw/zinc/38/19/40/194381940.db2.gz YTBKTEVAVYLOSN-OTWHNJEPSA-N 0 3 455.879 4.361 40 5 JIBBHN O=C1C2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000012017472 555885383 /nfs/dbraw/zinc/88/53/83/555885383.db2.gz NHZSTDKVUILCCA-ACRUOGEOSA-N 0 3 494.847 4.208 40 5 JIBBHN CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)NC(C)(C)C ZINC000016688913 556152503 /nfs/dbraw/zinc/15/25/03/556152503.db2.gz GIXRRQPOGQTVFI-UHFFFAOYSA-N 0 3 478.977 4.142 40 5 JIBBHN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018066565 556282202 /nfs/dbraw/zinc/28/22/02/556282202.db2.gz LJXSTPREHRDJNC-FKBYEOEOSA-N 0 3 461.499 4.368 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 ZINC000100920816 569775899 /nfs/dbraw/zinc/77/58/99/569775899.db2.gz KCPCMULNQZKOGI-SGNDLWITSA-N 0 3 473.485 4.435 40 5 JIBBHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C([O-])=C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000102756971 569821339 /nfs/dbraw/zinc/82/13/39/569821339.db2.gz JOMCFRDCHSYCOG-BHIFYINESA-N 0 3 495.875 4.014 40 5 JIBBHN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000102756971 569821340 /nfs/dbraw/zinc/82/13/40/569821340.db2.gz JOMCFRDCHSYCOG-BHIFYINESA-N 0 3 495.875 4.014 40 5 JIBBHN CN(C)CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328992488 570180794 /nfs/dbraw/zinc/18/07/94/570180794.db2.gz IVSGRILIMSBVCF-UHFFFAOYSA-N 0 3 462.432 4.668 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 ZINC000036277648 520386482 /nfs/dbraw/zinc/38/64/82/520386482.db2.gz XXIMKWSBZNDJIM-SMIHKQSGSA-N 0 3 473.485 4.435 40 5 JIBBHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 ZINC000009232473 555004757 /nfs/dbraw/zinc/00/47/57/555004757.db2.gz ZNSABAHOLSKQRR-ZRBLBEILSA-N 0 3 459.458 4.045 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 ZINC000009331346 555101077 /nfs/dbraw/zinc/10/10/77/555101077.db2.gz ABHSKXFQMILWRZ-SMIHKQSGSA-N 0 3 473.485 4.435 40 5 JIBBHN CCCOc1ccc(N2C(=O)C3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000013786488 555619158 /nfs/dbraw/zinc/61/91/58/555619158.db2.gz NMSXMQASPHSVCT-HJOGWXRNSA-N 0 3 473.485 4.435 40 5 JIBBHN O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] ZINC000022711786 555946037 /nfs/dbraw/zinc/94/60/37/555946037.db2.gz ZKQHIPSUNFZTEA-UHFFFAOYSA-N 0 3 475.574 4.044 40 5 JIBBHN O=C1C2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000217430826 569880041 /nfs/dbraw/zinc/88/00/41/569880041.db2.gz BZSCIBJFJDDIMP-HBMCJLEFSA-N 0 3 494.847 4.208 40 5 JIBBHN