smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)nc(OC)n1 ZINC000001747080 194133510 /nfs/dbraw/zinc/13/35/10/194133510.db2.gz LKANYGVDEKDBLD-UHFFFAOYSA-N 0 2 465.469 2.517 50 5 JFBALN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000008400159 194441798 /nfs/dbraw/zinc/44/17/98/194441798.db2.gz PLYYGKSYFRICHF-OXRZLYTFSA-N 0 2 483.477 2.551 50 5 JFBALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])s3)cc2)ncn1 ZINC000016156661 522755412 /nfs/dbraw/zinc/75/54/12/522755412.db2.gz UCPNHGUBBQJUEH-YWEYNIOJSA-N 0 2 461.481 2.908 50 5 JFBALN O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000033632856 526819685 /nfs/dbraw/zinc/81/96/85/526819685.db2.gz TWRLOSUGBPIHFJ-OGHNNQOOSA-N 0 2 476.314 2.695 50 5 JFBALN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(CN2C(=O)c3cccnc3C2=O)ccc1OC ZINC000020583661 555837165 /nfs/dbraw/zinc/83/71/65/555837165.db2.gz SSNDNVITUQHUJA-UHFFFAOYSA-N 0 2 498.473 2.604 50 5 JFBALN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C ZINC000009234641 555008131 /nfs/dbraw/zinc/00/81/31/555008131.db2.gz QKQUJGUCEXJUBT-CSKARUKUSA-N 0 2 466.450 2.866 50 5 JFBALN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 ZINC000009493899 555277133 /nfs/dbraw/zinc/27/71/33/555277133.db2.gz FAECOPKOYUWOHS-UHFFFAOYSA-N 0 2 461.496 2.955 50 5 JFBALN CCOC(=O)N1CCN([C@H](c2ccc([N+](=O)[O-])cc2)C2Sc3nc(CC)nn3C2=O)CC1 ZINC000015391760 555903604 /nfs/dbraw/zinc/90/36/04/555903604.db2.gz QGOXWROEMUPZTG-MRXNPFEDSA-N 0 2 460.516 2.831 50 5 JFBALN O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000015906765 556063934 /nfs/dbraw/zinc/06/39/34/556063934.db2.gz TWRLOSUGBPIHFJ-XNJGSVPQSA-N 0 2 476.314 2.695 50 5 JFBALN CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(C3CCCCC3)c2=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101765041 569803917 /nfs/dbraw/zinc/80/39/17/569803917.db2.gz LGJHYENYZKILBQ-KRWDZBQOSA-N 0 2 455.471 2.743 50 5 JFBALN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2O)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101765041 569803919 /nfs/dbraw/zinc/80/39/19/569803919.db2.gz LGJHYENYZKILBQ-KRWDZBQOSA-N 0 2 455.471 2.743 50 5 JFBALN CCC(=O)Nc1ccccc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC000045900363 521227702 /nfs/dbraw/zinc/22/77/02/521227702.db2.gz KDSVUYQLAJDWBD-UHFFFAOYSA-N 0 2 454.468 2.819 50 5 JFBALN COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000020583658 555837141 /nfs/dbraw/zinc/83/71/41/555837141.db2.gz AOJQZMDFECEOER-UHFFFAOYSA-N 0 2 468.447 2.595 50 5 JFBALN O=C([O-])[C@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1)NC(=O)OCc1ccccc1 ZINC000038226572 569801115 /nfs/dbraw/zinc/80/11/15/569801115.db2.gz GHVOUAVUVLSUDB-INIZCTEOSA-N 0 2 455.383 2.611 50 5 JFBALN O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000009090496 554891438 /nfs/dbraw/zinc/89/14/38/554891438.db2.gz TWRLOSUGBPIHFJ-PBFPGSCMSA-N 0 2 476.314 2.695 50 5 JFBALN Cc1nc2n(n1)C(=O)C([C@@H](c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c3ccco3)CC1)S2 ZINC000023157684 556026231 /nfs/dbraw/zinc/02/62/31/556026231.db2.gz LYNIHCAIGXIPHH-QGZVFWFLSA-N 0 2 468.495 2.853 50 5 JFBALN Cc1c(NS(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)cccc1[N+](=O)[O-] ZINC000020762334 195218670 /nfs/dbraw/zinc/21/86/70/195218670.db2.gz PCVYDQSIRXSSMY-UHFFFAOYSA-N 0 2 458.477 2.957 50 5 JFBALN Cc1nc2sc3c(c2c(=O)n1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)CCCC3 ZINC000002780703 554341844 /nfs/dbraw/zinc/34/18/44/554341844.db2.gz TVFDXNRJQMYNPO-UHFFFAOYSA-N 0 2 454.468 2.775 50 5 JFBALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)ncn1 ZINC000006260633 554523271 /nfs/dbraw/zinc/52/32/71/554523271.db2.gz ZOUCSHRDSFNYNL-NYYWCZLTSA-N 0 2 455.452 2.846 50 5 JFBALN O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000036384369 563128498 /nfs/dbraw/zinc/12/84/98/563128498.db2.gz CQBZNNIXZKECFG-UNOMPAQXSA-N 0 2 484.490 2.812 50 5 JFBALN Cc1cccc(-c2c3c(c4n2CCO[C@@H]4c2cc([N+](=O)[O-])ccc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788236 569628341 /nfs/dbraw/zinc/62/83/41/569628341.db2.gz WWGQXVXGJQDTGM-JOCHJYFZSA-N 0 2 462.462 2.748 50 5 JFBALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)nc(OC)n1 ZINC000016346510 522756020 /nfs/dbraw/zinc/75/60/20/522756020.db2.gz PBAOQALLNQNCFN-UHFFFAOYSA-N 0 2 474.455 2.847 50 5 JFBALN COc1ccc(S(=O)(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002284491 554132682 /nfs/dbraw/zinc/13/26/82/554132682.db2.gz VQWPIIIFZDZULI-UHFFFAOYSA-N 0 2 455.495 2.694 50 5 JFBALN O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1[N+](=O)[O-] ZINC000002551746 554235380 /nfs/dbraw/zinc/23/53/80/554235380.db2.gz HHCZYPIWYYPWCR-UHFFFAOYSA-N 0 2 463.522 2.979 50 5 JFBALN COc1nccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)n1 ZINC000217461443 569880046 /nfs/dbraw/zinc/88/00/46/569880046.db2.gz FLLMZSUSTHRJAP-NYYWCZLTSA-N 0 2 455.452 2.846 50 5 JFBALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3ccc([N+](=O)[O-])s3)cc2)nc(OC)n1 ZINC000033424190 522756409 /nfs/dbraw/zinc/75/64/09/522756409.db2.gz FRRRENVCJJVMSH-UITAMQMPSA-N 0 2 491.507 2.916 50 5 JFBALN O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(N2CCOCC2)cc1 ZINC000033362759 526715224 /nfs/dbraw/zinc/71/52/24/526715224.db2.gz CQBZNNIXZKECFG-XDHOZWIPSA-N 0 2 484.490 2.812 50 5 JFBALN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1Cl ZINC000033048032 527340332 /nfs/dbraw/zinc/34/03/32/527340332.db2.gz DTJKUAKVLPWJSO-UHFFFAOYSA-N 0 2 461.905 2.539 50 5 JFBALN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C(=O)c2cc(F)ccc2O)cn1 ZINC000012538390 556011888 /nfs/dbraw/zinc/01/18/88/556011888.db2.gz IXTJZVSJMWTNQD-UHFFFAOYSA-N 0 2 462.459 2.887 50 5 JFBALN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)s1 ZINC000001662833 194130912 /nfs/dbraw/zinc/13/09/12/194130912.db2.gz SBXGFPWVFMANJE-UHFFFAOYSA-N 0 2 478.468 2.970 50 5 JFBALN COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc([N+](=O)[O-])c1 ZINC000003316130 554449686 /nfs/dbraw/zinc/44/96/86/554449686.db2.gz GYARCGOJUKORSG-UHFFFAOYSA-N 0 2 462.465 2.891 50 5 JFBALN COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([N+](=O)[O-])c1 ZINC000025146749 556185277 /nfs/dbraw/zinc/18/52/77/556185277.db2.gz ZYAJEZIODJMGFH-UHFFFAOYSA-N 0 2 450.498 2.851 50 5 JFBALN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c([N+](=O)[O-])c1 ZINC000002863055 562925956 /nfs/dbraw/zinc/92/59/56/562925956.db2.gz JSTYRNLZQMDVCH-UHFFFAOYSA-N 0 2 454.511 2.961 50 5 JFBALN CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(C3CCCCC3)c2=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101765044 569803879 /nfs/dbraw/zinc/80/38/79/569803879.db2.gz LGJHYENYZKILBQ-QGZVFWFLSA-N 0 2 455.471 2.743 50 5 JFBALN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000101765044 569803881 /nfs/dbraw/zinc/80/38/81/569803881.db2.gz LGJHYENYZKILBQ-QGZVFWFLSA-N 0 2 455.471 2.743 50 5 JFBALN CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(C3CCCCC3)c2=O)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101765063 569804080 /nfs/dbraw/zinc/80/40/80/569804080.db2.gz CCCYZMFUYASYTF-KRWDZBQOSA-N 0 2 455.471 2.743 50 5 JFBALN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2O)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000101765063 569804082 /nfs/dbraw/zinc/80/40/82/569804082.db2.gz CCCYZMFUYASYTF-KRWDZBQOSA-N 0 2 455.471 2.743 50 5 JFBALN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)nc(C)n1 ZINC000001770364 194136482 /nfs/dbraw/zinc/13/64/82/194136482.db2.gz ZSNHJFPLPJXCIS-UHFFFAOYSA-N 0 2 457.468 2.820 50 5 JFBALN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)ccc1CN1C(=O)c2cccnc2C1=O ZINC000020762380 195218636 /nfs/dbraw/zinc/21/86/36/195218636.db2.gz YQXRLHMBOBUHLF-UHFFFAOYSA-N 0 2 486.437 2.735 50 5 JFBALN O=C(Cn1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000008744410 554647465 /nfs/dbraw/zinc/64/74/65/554647465.db2.gz QXMCOHTYDNPUPL-FNORWQNLSA-N 0 2 475.417 2.876 50 5 JFBALN O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)Nc1ccc([N+](=O)[O-])cc1 ZINC000009980702 555581283 /nfs/dbraw/zinc/58/12/83/555581283.db2.gz UNSFSGQCMXKRHK-UHFFFAOYSA-N 0 2 477.476 2.958 50 5 JFBALN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000009612814 555446770 /nfs/dbraw/zinc/44/67/70/555446770.db2.gz NZFKUNAKWWIPPZ-UHFFFAOYSA-N 0 2 469.541 2.887 50 5 JFBALN Cc1nc2n(n1)C(=O)C([C@H](c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c3ccco3)CC1)S2 ZINC000023157681 556025764 /nfs/dbraw/zinc/02/57/64/556025764.db2.gz LYNIHCAIGXIPHH-KRWDZBQOSA-N 0 2 468.495 2.853 50 5 JFBALN O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 ZINC000020762391 195218572 /nfs/dbraw/zinc/21/85/72/195218572.db2.gz DKOGLJPMFUGHKY-UHFFFAOYSA-N 0 2 462.440 2.787 50 5 JFBALN O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 ZINC000002730820 554314959 /nfs/dbraw/zinc/31/49/59/554314959.db2.gz RUNITGAKSKHUTC-UHFFFAOYSA-N 0 2 486.297 2.718 50 5 JFBALN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000009613495 555449097 /nfs/dbraw/zinc/44/90/97/555449097.db2.gz WBTOMTSTZPVVFI-UHFFFAOYSA-N 0 2 489.535 2.941 50 5 JFBALN COc1cc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)C3=C2O)c(C)cc1[N+](=O)[O-] ZINC000101075497 569781539 /nfs/dbraw/zinc/78/15/39/569781539.db2.gz VAOUZQHWGAIHCX-WBVHZDCISA-N 0 2 460.240 2.967 50 5 JFBALN O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)C(=C(O)c2cccnc2)[C@](O)(C(F)(F)F)N1 ZINC000195529135 569873449 /nfs/dbraw/zinc/87/34/49/569873449.db2.gz TWRLOSUGBPIHFJ-AHIWAGSCSA-N 0 2 476.314 2.695 50 5 JFBALN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252672180 570092777 /nfs/dbraw/zinc/09/27/77/570092777.db2.gz PLYYGKSYFRICHF-LJQANCHMSA-N 0 2 483.477 2.551 50 5 JFBALN CCc1nnc(NS(=O)(=O)c2ccc(Nc3c4nonc4c([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1 ZINC000016309587 522777308 /nfs/dbraw/zinc/77/73/08/522777308.db2.gz CEHBRBGXBRDLSI-UHFFFAOYSA-N 0 2 492.455 2.998 50 5 JFBALN COc1ccccc1NC(=O)COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000008768435 554668941 /nfs/dbraw/zinc/66/89/41/554668941.db2.gz LSPPZCBOTZKUHM-VQHVLOKHSA-N 0 2 468.422 2.589 50 5 JFBALN CCOC(=O)N1CCN([C@@H](c2ccc([N+](=O)[O-])cc2)C2Sc3nc(CC)nn3C2=O)CC1 ZINC000015391758 555903652 /nfs/dbraw/zinc/90/36/52/555903652.db2.gz QGOXWROEMUPZTG-INIZCTEOSA-N 0 2 460.516 2.831 50 5 JFBALN Cc1cccc(-c2c3c(c4n2CCO[C@H]4c2cc([N+](=O)[O-])ccc2O)n(C)c(=O)n(C)c3=O)c1 ZINC000064788237 569628254 /nfs/dbraw/zinc/62/82/54/569628254.db2.gz WWGQXVXGJQDTGM-QFIPXVFZSA-N 0 2 462.462 2.748 50 5 JFBALN O=C([O-])[C@@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100080170 569752516 /nfs/dbraw/zinc/75/25/16/569752516.db2.gz WOZYZMUUGRWSLF-CQSZACIVSA-N 0 2 487.341 2.613 50 5 JFBALN CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc([N+](=O)[O-])c3O)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252672179 570092758 /nfs/dbraw/zinc/09/27/58/570092758.db2.gz PLYYGKSYFRICHF-IBGZPJMESA-N 0 2 483.477 2.551 50 5 JFBALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)nc(OC)n1 ZINC000001769955 194135927 /nfs/dbraw/zinc/13/59/27/194135927.db2.gz FRRRENVCJJVMSH-WEVVVXLNSA-N 0 2 491.507 2.916 50 5 JFBALN CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc([N+](=O)[O-])c3O)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000008400156 194441785 /nfs/dbraw/zinc/44/17/85/194441785.db2.gz PLYYGKSYFRICHF-GTENMVSRSA-N 0 2 483.477 2.551 50 5 JFBALN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000002131837 554060603 /nfs/dbraw/zinc/06/06/03/554060603.db2.gz MRIVGUSJRHPVJE-UHFFFAOYSA-N 0 2 463.497 2.603 50 5 JFBALN COc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)ncn1 ZINC000006146388 522758005 /nfs/dbraw/zinc/75/80/05/522758005.db2.gz HQIZCAMOEROQNG-BJMVGYQFSA-N 0 2 455.452 2.846 50 5 JFBALN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000012517552 522869044 /nfs/dbraw/zinc/86/90/44/522869044.db2.gz SKUGESYBQCMWEF-LJQANCHMSA-N 0 2 457.464 2.954 50 5 JFBALN COC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(O)c([N+](=O)[O-])c1 ZINC000012517553 522869317 /nfs/dbraw/zinc/86/93/17/522869317.db2.gz SKUGESYBQCMWEF-IBGZPJMESA-N 0 2 457.464 2.954 50 5 JFBALN O=C(c1cnn(-c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1)c1cc(F)ccc1O ZINC000009373442 555135141 /nfs/dbraw/zinc/13/51/41/555135141.db2.gz ORZPDLYIIJOGNZ-UHFFFAOYSA-N 0 2 460.443 2.641 50 5 JFBALN O=C([O-])[C@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH+]1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100080167 569752518 /nfs/dbraw/zinc/75/25/18/569752518.db2.gz WOZYZMUUGRWSLF-AWEZNQCLSA-N 0 2 487.341 2.613 50 5 JFBALN CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(C)c1 ZINC000009130603 554930402 /nfs/dbraw/zinc/93/04/02/554930402.db2.gz PDEICTOFVICRGB-VQHVLOKHSA-N 0 2 466.450 2.866 50 5 JFBALN CCOc1c(I)cc(C=Cc2nc3[nH]cnn3c(=O)c2[N+](=O)[O-])cc1OC ZINC000017150130 556227658 /nfs/dbraw/zinc/22/76/58/556227658.db2.gz VBABZRXLGHZYQV-SNAWJCMRSA-N 0 2 483.222 2.920 50 5 JFBALN CCOc1c(I)cc(C=Cc2nc3[nH]cnn3c(=O)c2[N+](=O)[O-])cc1OC ZINC000035212762 569678276 /nfs/dbraw/zinc/67/82/76/569678276.db2.gz VBABZRXLGHZYQV-PLNGDYQASA-N 0 2 483.222 2.920 50 5 JFBALN CCC(=O)N1N=C(c2c(O)[nH]c(=O)n(C3CCCCC3)c2=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101765065 569804319 /nfs/dbraw/zinc/80/43/19/569804319.db2.gz CCCYZMFUYASYTF-QGZVFWFLSA-N 0 2 455.471 2.743 50 5 JFBALN CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2O)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000101765065 569804321 /nfs/dbraw/zinc/80/43/21/569804321.db2.gz CCCYZMFUYASYTF-QGZVFWFLSA-N 0 2 455.471 2.743 50 5 JFBALN