smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000229870288 556030983 /nfs/dbraw/zinc/03/09/83/556030983.db2.gz WHVDSSFOLVXIRF-PWRODBHTSA-N -1 3 433.395 3.785 50 5 IHBAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102737519 557379968 /nfs/dbraw/zinc/37/99/68/557379968.db2.gz KQVZEZIPDVBIAL-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000137393474 568821876 /nfs/dbraw/zinc/82/18/76/568821876.db2.gz SJZVHCSHLUOAHU-FDFHNCONSA-N -1 3 445.431 3.655 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000011582549 569302582 /nfs/dbraw/zinc/30/25/82/569302582.db2.gz QMIFMAOWVCPMSZ-NJDAHSKKSA-N -1 3 433.395 3.785 50 5 IHBAHM CCOc1c([O-])ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] ZINC000002744400 569419886 /nfs/dbraw/zinc/41/98/86/569419886.db2.gz OHVQIOCIJLSKJN-KRWDZBQOSA-N -1 3 427.442 3.776 50 5 IHBAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000226983732 569430411 /nfs/dbraw/zinc/43/04/11/569430411.db2.gz SCCPQDAGFFQDBE-BHDDXSALSA-N -1 3 445.431 3.655 50 5 IHBAHM CN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000058224370 569450756 /nfs/dbraw/zinc/45/07/56/569450756.db2.gz VAIVHDFNOAWKTJ-ZDUSSCGKSA-N -1 3 425.894 3.664 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1 ZINC000013776282 556729455 /nfs/dbraw/zinc/72/94/55/556729455.db2.gz LYHURZVPPLFWJW-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018099609 557236943 /nfs/dbraw/zinc/23/69/43/557236943.db2.gz MXBNLMMPMIDQOU-VSKRKVRLSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)c(C)c1 ZINC000101344644 557279535 /nfs/dbraw/zinc/27/95/35/557279535.db2.gz UZMHWRCYDRIPMH-JTHBVZDNSA-N -1 3 440.459 3.994 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)c(C)c1 ZINC000101344643 557279549 /nfs/dbraw/zinc/27/95/49/557279549.db2.gz UZMHWRCYDRIPMH-GMAHTHKFSA-N -1 3 440.459 3.994 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102730196 557370964 /nfs/dbraw/zinc/37/09/64/557370964.db2.gz WHVDSSFOLVXIRF-PCCBWWKXSA-N -1 3 433.395 3.785 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1 ZINC000103617034 557439270 /nfs/dbraw/zinc/43/92/70/557439270.db2.gz NAITYWUJYVPUTD-RBBKRZOGSA-N -1 3 426.432 3.686 50 5 IHBAHM CCn1ncc(-c2ccnc3cc(C(=O)[N-]c4cc([N+](=O)[O-])ccc4Cl)nn32)c1C ZINC000002798094 569422155 /nfs/dbraw/zinc/42/21/55/569422155.db2.gz CNNSKGPBBZKWEF-UHFFFAOYSA-N -1 3 425.836 3.735 50 5 IHBAHM Cc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3ccccc3[N+](=O)[O-])s2)c1 ZINC000009369117 569526746 /nfs/dbraw/zinc/52/67/46/569526746.db2.gz BKCXORSYXBKGSK-UHFFFAOYSA-N -1 3 429.483 3.738 50 5 IHBAHM O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000016115449 527436421 /nfs/dbraw/zinc/43/64/21/527436421.db2.gz JHLGWQKJEUMORR-UHFFFAOYSA-N -1 3 435.845 3.572 50 5 IHBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018043381 557234287 /nfs/dbraw/zinc/23/42/87/557234287.db2.gz SCCPQDAGFFQDBE-VSKRKVRLSA-N -1 3 445.431 3.655 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(F)cc1 ZINC000103614568 557439196 /nfs/dbraw/zinc/43/91/96/557439196.db2.gz AGRSOIUWNDUISI-FPOVZHCZSA-N -1 3 430.395 3.516 50 5 IHBAHM CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(OCC(N)=O)cc1 ZINC000079497869 569331550 /nfs/dbraw/zinc/33/15/50/569331550.db2.gz JJJZXHWJZIITFM-UHFFFAOYSA-N -1 3 432.436 3.854 50 5 IHBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CCOC[C@@H]1C1CC1 ZINC000095446188 569367250 /nfs/dbraw/zinc/36/72/50/569367250.db2.gz JJJSOVDVAGOUFV-LJQANCHMSA-N -1 3 437.905 3.664 50 5 IHBAHM CCOc1ccc([N-]C(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c([N+](=O)[O-])c1 ZINC000008450892 569464950 /nfs/dbraw/zinc/46/49/50/569464950.db2.gz VYCRVXSAOPYATQ-UHFFFAOYSA-N -1 3 449.876 3.612 50 5 IHBAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017208830 557038772 /nfs/dbraw/zinc/03/87/72/557038772.db2.gz XFPPICNEKMEORL-ZDUSSCGKSA-N -1 3 447.238 3.677 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)c(C)c1 ZINC000100862674 557193076 /nfs/dbraw/zinc/19/30/76/557193076.db2.gz UZMHWRCYDRIPMH-GGAORHGYSA-N -1 3 440.459 3.994 50 5 IHBAHM COC(=O)c1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001744163 568897804 /nfs/dbraw/zinc/89/78/04/568897804.db2.gz RZGTVJJGISNFDP-VIFPVBQESA-N -1 3 438.845 3.551 50 5 IHBAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000226257081 569417016 /nfs/dbraw/zinc/41/70/16/569417016.db2.gz ZGJQSPINOPAOTC-BHIFYINESA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1c(C(=O)OC(C)C)sc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C(N)=O ZINC000002739781 569419189 /nfs/dbraw/zinc/41/91/89/569419189.db2.gz IGTBELKWVJPAQC-UHFFFAOYSA-N -1 3 425.850 3.535 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000102713459 557374356 /nfs/dbraw/zinc/37/43/56/557374356.db2.gz IOSCYWBRIHXQPY-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000102744749 557377454 /nfs/dbraw/zinc/37/74/54/557377454.db2.gz NMDCUQHAPVTSMT-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000000944194 568641610 /nfs/dbraw/zinc/64/16/10/568641610.db2.gz KMCQVGWWCMYYRZ-HXUWFJFHSA-N -1 3 427.482 3.690 50 5 IHBAHM COc1cc(NC(=O)CSc2n[n-]c(COc3ccc(C)cc3)n2)c(C)cc1[N+](=O)[O-] ZINC000016043913 568868076 /nfs/dbraw/zinc/86/80/76/568868076.db2.gz JVDRAJSSXZMOIB-UHFFFAOYSA-N -1 3 443.485 3.648 50 5 IHBAHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H](c1cccc2ccccc21)N1CCCC1 ZINC000010335664 569581120 /nfs/dbraw/zinc/58/11/20/569581120.db2.gz GKNIJYWTSZEZCI-OAQYLSRUSA-N -1 3 425.510 3.863 50 5 IHBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)cc1 ZINC000229869055 555995602 /nfs/dbraw/zinc/99/56/02/555995602.db2.gz AYUSIIUDFYQHOF-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(I)cc2Cl)c1 ZINC000095634836 556821223 /nfs/dbraw/zinc/82/12/23/556821223.db2.gz MKLYHJUVEPVZMZ-UHFFFAOYSA-N -1 3 438.630 3.654 50 5 IHBAHM O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)N1NC=C[C@@]1([O-])C(F)(F)F ZINC000013960358 557008756 /nfs/dbraw/zinc/00/87/56/557008756.db2.gz GCYIXDYKERKIFM-OAHLLOKOSA-N -1 3 433.726 3.503 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(F)c1 ZINC000100893361 557198981 /nfs/dbraw/zinc/19/89/81/557198981.db2.gz ITTYFZLFRMYERU-CTNGQTDRSA-N -1 3 430.395 3.516 50 5 IHBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1 ZINC000102739905 557380498 /nfs/dbraw/zinc/38/04/98/557380498.db2.gz AYUSIIUDFYQHOF-BHIFYINESA-N -1 3 429.432 3.954 50 5 IHBAHM CCCCc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])cc1)CCCC3 ZINC000006481650 568922936 /nfs/dbraw/zinc/92/29/36/568922936.db2.gz KNPAWYQVIQZJKQ-UHFFFAOYSA-N -1 3 426.498 3.972 50 5 IHBAHM CCc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002913723 569424983 /nfs/dbraw/zinc/42/49/83/569424983.db2.gz MHCHZIASOIYZBQ-UHFFFAOYSA-N -1 3 435.465 3.554 50 5 IHBAHM CCc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000002913723 569424985 /nfs/dbraw/zinc/42/49/85/569424985.db2.gz MHCHZIASOIYZBQ-UHFFFAOYSA-N -1 3 435.465 3.554 50 5 IHBAHM CCN1CCC[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000048325650 557066251 /nfs/dbraw/zinc/06/62/51/557066251.db2.gz ZIJUAIFXZPKIBD-QGZVFWFLSA-N -1 3 432.546 3.909 50 5 IHBAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101074524 557225110 /nfs/dbraw/zinc/22/51/10/557225110.db2.gz MXBNLMMPMIDQOU-BDTNDASRSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101091605 557245968 /nfs/dbraw/zinc/24/59/68/557245968.db2.gz KQVZEZIPDVBIAL-VSKRKVRLSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102706921 557366763 /nfs/dbraw/zinc/36/67/63/557366763.db2.gz KKWLEQOPCNKWOY-YPAWHYETSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000102754742 557383887 /nfs/dbraw/zinc/38/38/87/557383887.db2.gz MOSFIMPGJSYNDM-YPAWHYETSA-N -1 3 445.431 3.655 50 5 IHBAHM CC(=O)Nc1cccc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)c1 ZINC000225833802 569409303 /nfs/dbraw/zinc/40/93/03/569409303.db2.gz NHTHXQOEHMPAOZ-SECBINFHSA-N -1 3 432.285 3.900 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000227248727 569431912 /nfs/dbraw/zinc/43/19/12/569431912.db2.gz FIFWEEJBBWAZQK-PCCBWWKXSA-N -1 3 433.395 3.785 50 5 IHBAHM NC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCN(Cc1ccccc1)C2 ZINC000023153818 557028700 /nfs/dbraw/zinc/02/87/00/557028700.db2.gz WUCTZQDTJCQEQP-UHFFFAOYSA-N -1 3 442.522 3.627 50 5 IHBAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017784497 557122248 /nfs/dbraw/zinc/12/22/48/557122248.db2.gz MNUHBILPENDACX-VSKRKVRLSA-N -1 3 429.432 3.954 50 5 IHBAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc2ccccc21 ZINC000000944193 568641586 /nfs/dbraw/zinc/64/15/86/568641586.db2.gz KMCQVGWWCMYYRZ-FQEVSTJZSA-N -1 3 427.482 3.690 50 5 IHBAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000016394049 568887344 /nfs/dbraw/zinc/88/73/44/568887344.db2.gz PSNZJDMTIZRYES-UHFFFAOYSA-N -1 3 441.465 3.722 50 5 IHBAHM Cc1c(C(N)=O)sc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1C(=O)OC(C)C ZINC000002102658 569179547 /nfs/dbraw/zinc/17/95/47/569179547.db2.gz MYZBUIYQEAZKBI-UHFFFAOYSA-N -1 3 425.850 3.535 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000009329623 569522967 /nfs/dbraw/zinc/52/29/67/569522967.db2.gz BTYKVKZKPFZZEW-NJDAHSKKSA-N -1 3 433.395 3.785 50 5 IHBAHM Cc1cccc(NC(=O)CSc2nnc([N-]C(=O)c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000009369119 569526704 /nfs/dbraw/zinc/52/67/04/569526704.db2.gz FDBQPHZEGDTCKX-UHFFFAOYSA-N -1 3 429.483 3.738 50 5 IHBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000103002660 557415434 /nfs/dbraw/zinc/41/54/34/557415434.db2.gz NCUNSLYYVYSWPP-BHDDXSALSA-N -1 3 445.431 3.655 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(F)c1 ZINC000103622466 557439441 /nfs/dbraw/zinc/43/94/41/557439441.db2.gz ITTYFZLFRMYERU-PZJWPPBQSA-N -1 3 430.395 3.516 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000002992916 562931504 /nfs/dbraw/zinc/93/15/04/562931504.db2.gz DWNAHFGFTRILNG-UHFFFAOYSA-N -1 3 427.438 3.657 50 5 IHBAHM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@H](C(=O)OC)CC2 ZINC000001744104 568897643 /nfs/dbraw/zinc/89/76/43/568897643.db2.gz MHIQJXHJKZZRPY-SNVBAGLBSA-N -1 3 438.845 3.551 50 5 IHBAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1cc([N+](=O)[O-])ccc1F ZINC000002634126 569412736 /nfs/dbraw/zinc/41/27/36/569412736.db2.gz KEMAETCDFSDMGW-UHFFFAOYSA-N -1 3 437.840 3.815 50 5 IHBAHM CN(C[C@H]1CCCO1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000058224372 569450750 /nfs/dbraw/zinc/45/07/50/569450750.db2.gz VAIVHDFNOAWKTJ-CYBMUJFWSA-N -1 3 425.894 3.664 50 5 IHBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000245247172 569501161 /nfs/dbraw/zinc/50/11/61/569501161.db2.gz QYGAIPNYDYKXHJ-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000245255469 569501401 /nfs/dbraw/zinc/50/14/01/569501401.db2.gz IOSCYWBRIHXQPY-BHIFYINESA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NCCCn3ccnc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000009255089 569516491 /nfs/dbraw/zinc/51/64/91/569516491.db2.gz VIEWDBUOKNNGDU-UHFFFAOYSA-N -1 3 429.502 3.711 50 5 IHBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)c1 ZINC000229929871 557834198 /nfs/dbraw/zinc/83/41/98/557834198.db2.gz KVWRTGLPXOMTMP-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000238950222 569137969 /nfs/dbraw/zinc/13/79/69/569137969.db2.gz XFLYLUWAQGFVEE-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1nn(Cc2c(C)onc2C(=O)[N-]c2ncc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] ZINC000017094265 569172963 /nfs/dbraw/zinc/17/29/63/569172963.db2.gz GKJVYPFDQBMLDZ-UHFFFAOYSA-N -1 3 425.232 3.707 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000011582550 569302577 /nfs/dbraw/zinc/30/25/77/569302577.db2.gz QMIFMAOWVCPMSZ-QHAWAJNXSA-N -1 3 433.395 3.785 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000009349677 569524798 /nfs/dbraw/zinc/52/47/98/569524798.db2.gz FIFWEEJBBWAZQK-NJDAHSKKSA-N -1 3 433.395 3.785 50 5 IHBAHM COc1ccc(-n2c(/C=C/N(C)C)c([N+](=O)[O-])c3ccc([O-])c(COC(C)=O)c32)cc1 ZINC000019338959 569318695 /nfs/dbraw/zinc/31/86/95/569318695.db2.gz OHPDFVWZEGRVPM-VAWYXSNFSA-N -1 3 425.441 3.848 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000227167256 569431721 /nfs/dbraw/zinc/43/17/21/569431721.db2.gz IOSCYWBRIHXQPY-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 ZINC000003007412 569435197 /nfs/dbraw/zinc/43/51/97/569435197.db2.gz SRFXKDKUQWRNSX-UHFFFAOYSA-N -1 3 428.470 3.662 50 5 IHBAHM O=C([N-]c1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003179869 569441295 /nfs/dbraw/zinc/44/12/95/569441295.db2.gz JIWDGDMRHXXPFK-UHFFFAOYSA-N -1 3 438.377 3.985 50 5 IHBAHM COc1ccc(N2OC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]2c2ccccc2)cc1 ZINC000244633238 569492807 /nfs/dbraw/zinc/49/28/07/569492807.db2.gz FZKPBSNVJMQEFD-FKBYEOEOSA-N -1 3 445.431 3.655 50 5 IHBAHM O=C(CSc1nnc([N-]C(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1ccc(F)cc1 ZINC000009369120 569526730 /nfs/dbraw/zinc/52/67/30/569526730.db2.gz FOBWRIMYUVUQMG-UHFFFAOYSA-N -1 3 433.446 3.569 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)c(C)c1 ZINC000101344645 557279514 /nfs/dbraw/zinc/27/95/14/557279514.db2.gz UZMHWRCYDRIPMH-FYYLOGMGSA-N -1 3 440.459 3.994 50 5 IHBAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000102711613 557373686 /nfs/dbraw/zinc/37/36/86/557373686.db2.gz FNORUDMBNCDKKE-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000137472871 568844816 /nfs/dbraw/zinc/84/48/16/568844816.db2.gz FNORUDMBNCDKKE-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccc(N2OC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000244633239 569492813 /nfs/dbraw/zinc/49/28/13/569492813.db2.gz FZKPBSNVJMQEFD-VSKRKVRLSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@@H]3c2ccccc2)cc1 ZINC000245309101 569502553 /nfs/dbraw/zinc/50/25/53/569502553.db2.gz AYUSIIUDFYQHOF-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100722379 556657434 /nfs/dbraw/zinc/65/74/34/556657434.db2.gz XFLYLUWAQGFVEE-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1 ZINC000100831202 557190565 /nfs/dbraw/zinc/19/05/65/557190565.db2.gz NAITYWUJYVPUTD-IRLDBZIGSA-N -1 3 426.432 3.686 50 5 IHBAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000102709331 557367586 /nfs/dbraw/zinc/36/75/86/557367586.db2.gz SJZVHCSHLUOAHU-YPAWHYETSA-N -1 3 445.431 3.655 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(F)c1 ZINC000103622463 557439534 /nfs/dbraw/zinc/43/95/34/557439534.db2.gz ITTYFZLFRMYERU-TZIWHRDSSA-N -1 3 430.395 3.516 50 5 IHBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Br)OCCO3)ccc1Cl ZINC000016120785 568871090 /nfs/dbraw/zinc/87/10/90/568871090.db2.gz AXLMCCZBPCSWFS-UHFFFAOYSA-N -1 3 449.666 3.583 50 5 IHBAHM CCOc1cc(C(=O)NC(=S)[N-]c2ccccc2[N+](=O)[O-])cc(OCC)c1OCC ZINC000009113754 569293792 /nfs/dbraw/zinc/29/37/92/569293792.db2.gz GLHSBCGHCSJOPM-UHFFFAOYSA-N -1 3 433.486 3.918 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2ccc(NCCOc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000013137165 569311375 /nfs/dbraw/zinc/31/13/75/569311375.db2.gz BGDBXJLSKAYSBH-UHFFFAOYSA-N -1 3 443.481 3.895 50 5 IHBAHM O=[N+]([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000096111287 569382561 /nfs/dbraw/zinc/38/25/61/569382561.db2.gz MKCRDLCKAJMKBF-UHFFFAOYSA-N -1 3 436.081 3.921 50 5 IHBAHM COC(=O)c1cc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)cc([N+](=O)[O-])c1 ZINC000002814790 569422938 /nfs/dbraw/zinc/42/29/38/569422938.db2.gz LZVNOZUJBDYJAI-UHFFFAOYSA-N -1 3 432.845 3.729 50 5 IHBAHM CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c([N-]C(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000009580728 569548830 /nfs/dbraw/zinc/54/88/30/569548830.db2.gz JJFZTYSOWUZOFU-UHFFFAOYSA-N -1 3 445.453 3.664 50 5 IHBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCCc1cn2ccccc2n1 ZINC000032891535 556519200 /nfs/dbraw/zinc/51/92/00/556519200.db2.gz MSTAYMSTLXNOIS-UHFFFAOYSA-N -1 3 437.481 3.698 50 5 IHBAHM O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cc2)cc1 ZINC000001157089 568662673 /nfs/dbraw/zinc/66/26/73/568662673.db2.gz UJDJMLHMUZJUAZ-UHFFFAOYSA-N -1 3 428.422 3.959 50 5 IHBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CC(OCC(F)F)C1 ZINC000095409159 569365160 /nfs/dbraw/zinc/36/51/60/569365160.db2.gz UVORTVUBLSYHBY-UHFFFAOYSA-N -1 3 447.847 3.519 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1 ZINC000245246450 569501196 /nfs/dbraw/zinc/50/11/96/569501196.db2.gz LYHURZVPPLFWJW-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018188138 557245918 /nfs/dbraw/zinc/24/59/18/557245918.db2.gz NCUNSLYYVYSWPP-BDTNDASRSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102718613 557375300 /nfs/dbraw/zinc/37/53/00/557375300.db2.gz MNUHBILPENDACX-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000016293500 568875499 /nfs/dbraw/zinc/87/54/99/568875499.db2.gz STPZMUDVSLCSKN-UHFFFAOYSA-N -1 3 441.465 3.722 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2ccc(Nc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)cc1 ZINC000089453639 568925310 /nfs/dbraw/zinc/92/53/10/568925310.db2.gz SYRNUHOCRTZHBZ-UHFFFAOYSA-N -1 3 443.437 3.877 50 5 IHBAHM O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000036397029 569100093 /nfs/dbraw/zinc/10/00/93/569100093.db2.gz MLCAEOUOEKYSGS-UHFFFAOYSA-N -1 3 429.436 3.696 50 5 IHBAHM CCOC(=O)c1ccc(C)c(-c2ccc(C=Cc3[n-]c4ncnn4c(=O)c3[N+](=O)[O-])o2)c1 ZINC000096564202 569401245 /nfs/dbraw/zinc/40/12/45/569401245.db2.gz IITYQRITJAMQRC-SOFGYWHQSA-N -1 3 435.396 3.654 50 5 IHBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@H]3CCc4nccn4C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058169317 569449245 /nfs/dbraw/zinc/44/92/45/569449245.db2.gz GKSFHIBADCMBRE-INIZCTEOSA-N -1 3 441.513 3.636 50 5 IHBAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000013959735 557009154 /nfs/dbraw/zinc/00/91/54/557009154.db2.gz HIGSUTUCQKIYNK-MRXNPFEDSA-N -1 3 447.753 3.893 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1 ZINC000018213377 557252681 /nfs/dbraw/zinc/25/26/81/557252681.db2.gz NAITYWUJYVPUTD-UNMCSNQZSA-N -1 3 426.432 3.686 50 5 IHBAHM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000102744748 557377434 /nfs/dbraw/zinc/37/74/34/557377434.db2.gz NMDCUQHAPVTSMT-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)c1 ZINC000102740449 557380825 /nfs/dbraw/zinc/38/08/25/557380825.db2.gz KVWRTGLPXOMTMP-BHIFYINESA-N -1 3 429.432 3.954 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccccc1F ZINC000103623913 557439839 /nfs/dbraw/zinc/43/98/39/557439839.db2.gz NHZSZGDVBIEKJZ-FPOVZHCZSA-N -1 3 430.395 3.516 50 5 IHBAHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001114433 568659634 /nfs/dbraw/zinc/65/96/34/568659634.db2.gz HXMKMCNUQRCIIM-UHFFFAOYSA-N -1 3 439.877 3.749 50 5 IHBAHM COC(=O)c1cc(C(=O)[N-]c2cc(Br)cc3nc(C)oc32)cc([N+](=O)[O-])c1 ZINC000170600362 569142786 /nfs/dbraw/zinc/14/27/86/569142786.db2.gz OQTJUUNQQZTPHZ-UHFFFAOYSA-N -1 3 434.202 3.846 50 5 IHBAHM Cc1c(C(N)=O)sc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C(=O)OC(C)C ZINC000017094617 569172363 /nfs/dbraw/zinc/17/23/63/569172363.db2.gz ATCWTQRXCFOOND-UHFFFAOYSA-N -1 3 425.850 3.535 50 5 IHBAHM CCOc1ccc(Nc2nc([N-]c3cc(OC)ccc3OC)nc(N)c2[N+](=O)[O-])cc1 ZINC000009158697 569508514 /nfs/dbraw/zinc/50/85/14/569508514.db2.gz OFNABMPFBPASKW-UHFFFAOYSA-N -1 3 426.433 3.870 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000229917450 556406655 /nfs/dbraw/zinc/40/66/55/556406655.db2.gz FIFWEEJBBWAZQK-PWRODBHTSA-N -1 3 433.395 3.785 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000229927904 556408549 /nfs/dbraw/zinc/40/85/49/556408549.db2.gz LEDCWLZFYZHCKR-PWRODBHTSA-N -1 3 433.395 3.785 50 5 IHBAHM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(I)cc2Cl)cc1 ZINC000032631641 556411627 /nfs/dbraw/zinc/41/16/27/556411627.db2.gz PEZKLYSPTDFUDL-UHFFFAOYSA-N -1 3 438.630 3.654 50 5 IHBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000100937081 557202697 /nfs/dbraw/zinc/20/26/97/557202697.db2.gz KKWLEQOPCNKWOY-VSKRKVRLSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102718617 557375182 /nfs/dbraw/zinc/37/51/82/557375182.db2.gz MNUHBILPENDACX-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM CCOc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000003878136 562939179 /nfs/dbraw/zinc/93/91/79/562939179.db2.gz VZSJOCLGTBRCDQ-UXBLZVDNSA-N -1 3 431.470 3.537 50 5 IHBAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000137587547 568880307 /nfs/dbraw/zinc/88/03/07/568880307.db2.gz KQVZEZIPDVBIAL-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM O=C([N-]c1nnc(SCc2ccccc2)s1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000013130300 569311265 /nfs/dbraw/zinc/31/12/65/569311265.db2.gz WJAOEURWPYSIEE-UHFFFAOYSA-N -1 3 439.482 3.572 50 5 IHBAHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000019630676 569324070 /nfs/dbraw/zinc/32/40/70/569324070.db2.gz YROUKMMEXXXVIN-UHFFFAOYSA-N -1 3 439.877 3.749 50 5 IHBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N1CCOC[C@H]1C1CC1 ZINC000095446189 569367308 /nfs/dbraw/zinc/36/73/08/569367308.db2.gz JJJSOVDVAGOUFV-IBGZPJMESA-N -1 3 437.905 3.664 50 5 IHBAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002634125 569412791 /nfs/dbraw/zinc/41/27/91/569412791.db2.gz XKIFMNJQLJFQPO-UHFFFAOYSA-N -1 3 437.840 3.815 50 5 IHBAHM Cc1ccc([N-]S(=O)(=O)c2ccc(N[C@@H]3CCc4nccn4C3)c([N+](=O)[O-])c2)c(C)c1 ZINC000058169315 569449255 /nfs/dbraw/zinc/44/92/55/569449255.db2.gz GKSFHIBADCMBRE-MRXNPFEDSA-N -1 3 441.513 3.636 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102727397 557370234 /nfs/dbraw/zinc/37/02/34/557370234.db2.gz GHOVMVSZIPSWNX-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102733858 557372195 /nfs/dbraw/zinc/37/21/95/557372195.db2.gz MXBNLMMPMIDQOU-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)cc1 ZINC000102739899 557380531 /nfs/dbraw/zinc/38/05/31/557380531.db2.gz AYUSIIUDFYQHOF-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM CCCc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccc([N+](=O)[O-])cc1)CC(C)(C)OC3 ZINC000000852972 557830611 /nfs/dbraw/zinc/83/06/11/557830611.db2.gz DLFQAABZRBHRPP-UHFFFAOYSA-N -1 3 442.497 3.554 50 5 IHBAHM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1[N+](=O)[O-] ZINC000001113486 568659413 /nfs/dbraw/zinc/65/94/13/568659413.db2.gz JGEQXWQVDPQFTK-UHFFFAOYSA-N -1 3 441.465 3.965 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000138589867 569083246 /nfs/dbraw/zinc/08/32/46/569083246.db2.gz GHOVMVSZIPSWNX-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccc([C@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000003641590 569455570 /nfs/dbraw/zinc/45/55/70/569455570.db2.gz KYAQYHAAODYNCS-NRFANRHFSA-N -1 3 448.435 3.524 50 5 IHBAHM O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000016115571 556583811 /nfs/dbraw/zinc/58/38/11/556583811.db2.gz YKBDHAKTOGKJJY-UHFFFAOYSA-N -1 3 445.884 3.979 50 5 IHBAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000102764139 557381267 /nfs/dbraw/zinc/38/12/67/557381267.db2.gz OZVWQMZSXNUHBB-FDFHNCONSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@H]2c1ccccc1 ZINC000102750621 557382835 /nfs/dbraw/zinc/38/28/35/557382835.db2.gz LYHURZVPPLFWJW-BHIFYINESA-N -1 3 429.432 3.954 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(F)cc1 ZINC000103614559 557439295 /nfs/dbraw/zinc/43/92/95/557439295.db2.gz AGRSOIUWNDUISI-TZIWHRDSSA-N -1 3 430.395 3.516 50 5 IHBAHM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc(I)cc2)c([N+](=O)[O-])c1 ZINC000104228824 557453657 /nfs/dbraw/zinc/45/36/57/557453657.db2.gz YWYPPOIUFVFEQK-UHFFFAOYSA-N -1 3 430.114 3.759 50 5 IHBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)c1 ZINC000137795296 568893207 /nfs/dbraw/zinc/89/32/07/568893207.db2.gz QCMIGTMWYPLPKM-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM COC(=O)c1c([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1[C@H](C(=O)OC)CC2 ZINC000001744162 568897630 /nfs/dbraw/zinc/89/76/30/568897630.db2.gz RZGTVJJGISNFDP-SECBINFHSA-N -1 3 438.845 3.551 50 5 IHBAHM CCOC(=O)c1ccc(C)c(-c2ccc(C=Cc3[n-]c4ncnn4c(=O)c3[N+](=O)[O-])o2)c1 ZINC000230161281 569439765 /nfs/dbraw/zinc/43/97/65/569439765.db2.gz IITYQRITJAMQRC-VURMDHGXSA-N -1 3 435.396 3.654 50 5 IHBAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)cc1 ZINC000008867261 569480240 /nfs/dbraw/zinc/48/02/40/569480240.db2.gz JRMDOEUWDUZZHY-MRXNPFEDSA-N -1 3 426.878 3.529 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000102713461 557374531 /nfs/dbraw/zinc/37/45/31/557374531.db2.gz IOSCYWBRIHXQPY-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(-n2c(O)c3n(-c4ccccc4)[n-]c(-c4ccc([N+](=O)[O-])cc4)c-3c2=O)cc1 ZINC000103617038 557439244 /nfs/dbraw/zinc/43/92/44/557439244.db2.gz NAITYWUJYVPUTD-IFMALSPDSA-N -1 3 426.432 3.686 50 5 IHBAHM CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001114622 568659605 /nfs/dbraw/zinc/65/96/05/568659605.db2.gz IQQVLYTVNDSMRH-UHFFFAOYSA-N -1 3 439.877 3.749 50 5 IHBAHM CCOC(=O)c1c2c(sc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)COC(C)(C)C2 ZINC000002266359 569215684 /nfs/dbraw/zinc/21/56/84/569215684.db2.gz JQIFMBDPUZBBGT-UHFFFAOYSA-N -1 3 449.441 3.845 50 5 IHBAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000227068353 569431452 /nfs/dbraw/zinc/43/14/52/569431452.db2.gz KKWLEQOPCNKWOY-BHDDXSALSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000003641593 569455537 /nfs/dbraw/zinc/45/55/37/569455537.db2.gz KYAQYHAAODYNCS-OAQYLSRUSA-N -1 3 448.435 3.524 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000102727401 557370334 /nfs/dbraw/zinc/37/03/34/557370334.db2.gz GHOVMVSZIPSWNX-YPAWHYETSA-N -1 3 429.432 3.954 50 5 IHBAHM O=C(CSc1nnc([N-]C(=O)c2ccccc2[N+](=O)[O-])s1)Nc1ccc(F)cc1 ZINC000009369118 569526734 /nfs/dbraw/zinc/52/67/34/569526734.db2.gz OFXGYYJWALVQOO-UHFFFAOYSA-N -1 3 433.446 3.569 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCc4ccccc4C3)c([N+](=O)[O-])c2)cc1 ZINC000013527616 132349281 /nfs/dbraw/zinc/34/92/81/132349281.db2.gz VQNPDXVEFHSWCR-UHFFFAOYSA-N -1 3 439.493 3.967 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000000674297 557133195 /nfs/dbraw/zinc/13/31/95/557133195.db2.gz OSURTVGCMGKEPK-UHFFFAOYSA-N -1 3 427.438 3.657 50 5 IHBAHM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000101114861 557256638 /nfs/dbraw/zinc/25/66/38/557256638.db2.gz NMDCUQHAPVTSMT-VSKRKVRLSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100123850 557319264 /nfs/dbraw/zinc/31/92/64/557319264.db2.gz NCUNSLYYVYSWPP-VSKRKVRLSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000102760354 557385223 /nfs/dbraw/zinc/38/52/23/557385223.db2.gz QYGAIPNYDYKXHJ-BHIFYINESA-N -1 3 429.432 3.954 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1 ZINC000245240455 569500217 /nfs/dbraw/zinc/50/02/17/569500217.db2.gz TVNKGLFFGUBVSO-NJDAHSKKSA-N -1 3 433.395 3.785 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000017992846 557136652 /nfs/dbraw/zinc/13/66/52/557136652.db2.gz WHVDSSFOLVXIRF-QHAWAJNXSA-N -1 3 433.395 3.785 50 5 IHBAHM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000001050257 568654443 /nfs/dbraw/zinc/65/44/43/568654443.db2.gz MYQITVLBSGLGTN-UHFFFAOYSA-N -1 3 446.437 3.635 50 5 IHBAHM O=C(c1ccccc1[O-])N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 ZINC000059402465 569461068 /nfs/dbraw/zinc/46/10/68/569461068.db2.gz WWXFZFBDZWUAIG-UHFFFAOYSA-N -1 3 446.507 3.917 50 5 IHBAHM CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(C)cc1 ZINC000008867260 569480277 /nfs/dbraw/zinc/48/02/77/569480277.db2.gz JRMDOEUWDUZZHY-INIZCTEOSA-N -1 3 426.878 3.529 50 5 IHBAHM Cc1cccn2c(=O)c3cc(C(=O)[N-]c4nc5ccc([N+](=O)[O-])cc5s4)sc3nc12 ZINC000015441527 568762366 /nfs/dbraw/zinc/76/23/66/568762366.db2.gz VWVVHLZIARRPHK-UHFFFAOYSA-N -1 3 437.462 3.988 50 5 IHBAHM COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1[C@@H](C(=O)OC)CC2 ZINC000001744107 568897777 /nfs/dbraw/zinc/89/77/77/568897777.db2.gz MHIQJXHJKZZRPY-JTQLQIEISA-N -1 3 438.845 3.551 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@@H]2c1ccc(F)cc1 ZINC000138430907 568968671 /nfs/dbraw/zinc/96/86/71/568968671.db2.gz QMIFMAOWVCPMSZ-PWRODBHTSA-N -1 3 433.395 3.785 50 5 IHBAHM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000027527454 569263194 /nfs/dbraw/zinc/26/31/94/569263194.db2.gz UZHMWKUNZYKOJS-UHFFFAOYSA-N -1 3 430.420 3.673 50 5 IHBAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1N(CCCCO)C1CC1 ZINC000078998724 569321690 /nfs/dbraw/zinc/32/16/90/569321690.db2.gz WYHHOSDNOMXKJB-UHFFFAOYSA-N -1 3 439.921 3.790 50 5 IHBAHM Cc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000002913769 569424950 /nfs/dbraw/zinc/42/49/50/569424950.db2.gz NVKGEHVVPMBNDW-UHFFFAOYSA-N -1 3 435.465 3.609 50 5 IHBAHM Cc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000002913769 569424951 /nfs/dbraw/zinc/42/49/51/569424951.db2.gz NVKGEHVVPMBNDW-UHFFFAOYSA-N -1 3 435.465 3.609 50 5 IHBAHM COc1ccc([C@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000003641580 569455530 /nfs/dbraw/zinc/45/55/30/569455530.db2.gz MJXAVEFPFVFLKO-NRFANRHFSA-N -1 3 448.435 3.524 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2C)cc1 ZINC000012462420 524686283 /nfs/dbraw/zinc/68/62/83/524686283.db2.gz GBIHKMUKWVWJJE-UHFFFAOYSA-N -1 3 441.465 3.965 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000229959323 556412472 /nfs/dbraw/zinc/41/24/72/556412472.db2.gz BTYKVKZKPFZZEW-PWRODBHTSA-N -1 3 433.395 3.785 50 5 IHBAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000017885737 557126845 /nfs/dbraw/zinc/12/68/45/557126845.db2.gz KQVZEZIPDVBIAL-BDTNDASRSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000018178928 557245859 /nfs/dbraw/zinc/24/58/59/557245859.db2.gz NMDCUQHAPVTSMT-BDTNDASRSA-N -1 3 429.432 3.954 50 5 IHBAHM O=C([O-])c1ccccc1C(=O)c1ccc(N2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000072190701 557339270 /nfs/dbraw/zinc/33/92/70/557339270.db2.gz GKUXNYLCULEQHX-UHFFFAOYSA-N -1 3 437.496 3.979 50 5 IHBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000102724271 557369664 /nfs/dbraw/zinc/36/96/64/557369664.db2.gz SCCPQDAGFFQDBE-YPAWHYETSA-N -1 3 445.431 3.655 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1cccc(F)c1 ZINC000103622469 557439459 /nfs/dbraw/zinc/43/94/59/557439459.db2.gz ITTYFZLFRMYERU-FPOVZHCZSA-N -1 3 430.395 3.516 50 5 IHBAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000017094409 569172925 /nfs/dbraw/zinc/17/29/25/569172925.db2.gz DDVFRMLKRNJZMB-UHFFFAOYSA-N -1 3 425.466 3.885 50 5 IHBAHM COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000226990470 569430436 /nfs/dbraw/zinc/43/04/36/569430436.db2.gz GFEQTTSYRQKZLP-BHDDXSALSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000227088405 569431418 /nfs/dbraw/zinc/43/14/18/569431418.db2.gz MXBNLMMPMIDQOU-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccccc1N1C(=O)[C@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000101084028 557228064 /nfs/dbraw/zinc/22/80/64/557228064.db2.gz ZGJQSPINOPAOTC-YPAWHYETSA-N -1 3 445.431 3.655 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1 ZINC000245240456 569500206 /nfs/dbraw/zinc/50/02/06/569500206.db2.gz TVNKGLFFGUBVSO-PWRODBHTSA-N -1 3 433.395 3.785 50 5 IHBAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000245246820 569501177 /nfs/dbraw/zinc/50/11/77/569501177.db2.gz OZVWQMZSXNUHBB-YPAWHYETSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2cccc([N+](=O)[O-])c2)[C@H]3c2ccccc2)c1 ZINC000013759153 556728051 /nfs/dbraw/zinc/72/80/51/556728051.db2.gz KVWRTGLPXOMTMP-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM CCN1CCC[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2[N+](=O)[O-])C1 ZINC000048325649 557066292 /nfs/dbraw/zinc/06/62/92/557066292.db2.gz ZIJUAIFXZPKIBD-KRWDZBQOSA-N -1 3 432.546 3.909 50 5 IHBAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000101084027 557227952 /nfs/dbraw/zinc/22/79/52/557227952.db2.gz ZGJQSPINOPAOTC-BHDDXSALSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000101155888 557257171 /nfs/dbraw/zinc/25/71/71/557257171.db2.gz MOSFIMPGJSYNDM-VSKRKVRLSA-N -1 3 445.431 3.655 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc([N+](=O)[O-])cc1)ON(c1ccccc1)[C@H]2c1ccc(F)cc1 ZINC000138431045 568968699 /nfs/dbraw/zinc/96/86/99/568968699.db2.gz QMIFMAOWVCPMSZ-PCCBWWKXSA-N -1 3 433.395 3.785 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2C)cc1 ZINC000003015265 569435370 /nfs/dbraw/zinc/43/53/70/569435370.db2.gz ABZXPQJMZLWMEG-UHFFFAOYSA-N -1 3 441.465 3.965 50 5 IHBAHM COc1ccc(N2OC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]2c2ccccc2)cc1 ZINC000244633237 569492791 /nfs/dbraw/zinc/49/27/91/569492791.db2.gz FZKPBSNVJMQEFD-BDTNDASRSA-N -1 3 445.431 3.655 50 5 IHBAHM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H](c1cccc2ccccc21)N1CCCC1 ZINC000010335669 569581099 /nfs/dbraw/zinc/58/10/99/569581099.db2.gz GKNIJYWTSZEZCI-NRFANRHFSA-N -1 3 425.510 3.863 50 5 IHBAHM COc1ccc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1 ZINC000012537532 524508408 /nfs/dbraw/zinc/50/84/08/524508408.db2.gz PECANMTVGLQZHV-UHFFFAOYSA-N -1 3 449.876 3.685 50 5 IHBAHM O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000013960359 557006482 /nfs/dbraw/zinc/00/64/82/557006482.db2.gz GCYIXDYKERKIFM-HNNXBMFYSA-N -1 3 433.726 3.503 50 5 IHBAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017208833 557038813 /nfs/dbraw/zinc/03/88/13/557038813.db2.gz XFPPICNEKMEORL-CYBMUJFWSA-N -1 3 447.238 3.677 50 5 IHBAHM COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C([O-])=C2ON1c1ccccc1 ZINC000018059525 557233931 /nfs/dbraw/zinc/23/39/31/557233931.db2.gz GFEQTTSYRQKZLP-VSKRKVRLSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000103002664 557415457 /nfs/dbraw/zinc/41/54/57/557415457.db2.gz NCUNSLYYVYSWPP-YPAWHYETSA-N -1 3 445.431 3.655 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(F)cc1 ZINC000103614563 557439232 /nfs/dbraw/zinc/43/92/32/557439232.db2.gz AGRSOIUWNDUISI-PZJWPPBQSA-N -1 3 430.395 3.516 50 5 IHBAHM COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000027528062 569263433 /nfs/dbraw/zinc/26/34/33/569263433.db2.gz UVFMIYOVMBJWEB-UHFFFAOYSA-N -1 3 434.383 3.503 50 5 IHBAHM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CCc1nc(-c2ccccc2)c(C)s1 ZINC000079062556 569324188 /nfs/dbraw/zinc/32/41/88/569324188.db2.gz KBUABQWJAQGTDW-UHFFFAOYSA-N -1 3 433.511 3.556 50 5 IHBAHM CCOc1c([O-])ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] ZINC000002744401 569419796 /nfs/dbraw/zinc/41/97/96/569419796.db2.gz OHVQIOCIJLSKJN-QGZVFWFLSA-N -1 3 427.442 3.776 50 5 IHBAHM COc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000058306501 569452785 /nfs/dbraw/zinc/45/27/85/569452785.db2.gz XUUFAKRDUYRDIG-UHFFFAOYSA-N -1 3 429.292 3.580 50 5 IHBAHM Cc1ccc(NC(=O)CSc2nnc([N-]C(=O)c3ccccc3[N+](=O)[O-])s2)cc1 ZINC000009364159 569526033 /nfs/dbraw/zinc/52/60/33/569526033.db2.gz YJCHGSORDZFEHN-UHFFFAOYSA-N -1 3 429.483 3.738 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000009459760 569536833 /nfs/dbraw/zinc/53/68/33/569536833.db2.gz WHVDSSFOLVXIRF-NJDAHSKKSA-N -1 3 433.395 3.785 50 5 IHBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000229908510 556406937 /nfs/dbraw/zinc/40/69/37/556406937.db2.gz QYGAIPNYDYKXHJ-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000229921892 556408861 /nfs/dbraw/zinc/40/88/61/556408861.db2.gz OZVWQMZSXNUHBB-BHDDXSALSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000136011144 556641122 /nfs/dbraw/zinc/64/11/22/556641122.db2.gz ZGJQSPINOPAOTC-FDFHNCONSA-N -1 3 445.431 3.655 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000013660932 556707826 /nfs/dbraw/zinc/70/78/26/556707826.db2.gz BTYKVKZKPFZZEW-QHAWAJNXSA-N -1 3 433.395 3.785 50 5 IHBAHM COc1cccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])c1 ZINC000102764141 557381200 /nfs/dbraw/zinc/38/12/00/557381200.db2.gz OZVWQMZSXNUHBB-BHIFYINESA-N -1 3 445.431 3.655 50 5 IHBAHM O=C([N-]c1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl ZINC000009056780 569293113 /nfs/dbraw/zinc/29/31/13/569293113.db2.gz CMRRFJPITVNQLI-UHFFFAOYSA-N -1 3 444.296 3.938 50 5 IHBAHM Cc1ccccc1N1C(=O)[C@@H]2C(=C1[O-])ON(c1cccc([N+](=O)[O-])c1)[C@@H]2c1ccccc1 ZINC000229925715 556408450 /nfs/dbraw/zinc/40/84/50/556408450.db2.gz LYHURZVPPLFWJW-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000100722385 556657567 /nfs/dbraw/zinc/65/75/67/556657567.db2.gz XFLYLUWAQGFVEE-BHIFYINESA-N -1 3 429.432 3.954 50 5 IHBAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(COc3cc([N+](=O)[O-])ccc3Cl)o2)N1 ZINC000013959734 557008624 /nfs/dbraw/zinc/00/86/24/557008624.db2.gz HIGSUTUCQKIYNK-INIZCTEOSA-N -1 3 447.753 3.893 50 5 IHBAHM O=c1c2c(-c3ccc([N+](=O)[O-])cc3)[n-]n(-c3ccccc3)c-2c(O)n1-c1ccc(F)cc1 ZINC000100863726 557194738 /nfs/dbraw/zinc/19/47/38/557194738.db2.gz AGRSOIUWNDUISI-CTNGQTDRSA-N -1 3 430.395 3.516 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000102709076 557367545 /nfs/dbraw/zinc/36/75/45/557367545.db2.gz BTYKVKZKPFZZEW-PCCBWWKXSA-N -1 3 433.395 3.785 50 5 IHBAHM O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000102761011 557385278 /nfs/dbraw/zinc/38/52/78/557385278.db2.gz LEDCWLZFYZHCKR-PCCBWWKXSA-N -1 3 433.395 3.785 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@@H]2c1ccccc1[N+](=O)[O-] ZINC000009357190 569525516 /nfs/dbraw/zinc/52/55/16/569525516.db2.gz LEDCWLZFYZHCKR-NJDAHSKKSA-N -1 3 433.395 3.785 50 5 IHBAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)c1 ZINC000096786949 556842781 /nfs/dbraw/zinc/84/27/81/556842781.db2.gz SCCPQDAGFFQDBE-BDTNDASRSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)c1 ZINC000017750194 557115784 /nfs/dbraw/zinc/11/57/84/557115784.db2.gz MOSFIMPGJSYNDM-BDTNDASRSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1cccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C([O-])=C3ON2c2ccccc2)c1 ZINC000018119072 557238212 /nfs/dbraw/zinc/23/82/12/557238212.db2.gz KKWLEQOPCNKWOY-BDTNDASRSA-N -1 3 445.431 3.655 50 5 IHBAHM COc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000102709327 557367622 /nfs/dbraw/zinc/36/76/22/557367622.db2.gz SJZVHCSHLUOAHU-BHDDXSALSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1cccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000102711609 557373805 /nfs/dbraw/zinc/37/38/05/557373805.db2.gz FNORUDMBNCDKKE-BHDDXSALSA-N -1 3 429.432 3.954 50 5 IHBAHM Cc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000102760351 557385319 /nfs/dbraw/zinc/38/53/19/557385319.db2.gz QYGAIPNYDYKXHJ-FDFHNCONSA-N -1 3 429.432 3.954 50 5 IHBAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000000847746 557485715 /nfs/dbraw/zinc/48/57/15/557485715.db2.gz PWXHULCQSBEFNJ-UHFFFAOYSA-N -1 3 427.438 3.657 50 5 IHBAHM COc1ccc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000027527541 569263369 /nfs/dbraw/zinc/26/33/69/569263369.db2.gz BHGXUGIVMUIRHP-UHFFFAOYSA-N -1 3 430.420 3.673 50 5 IHBAHM CC(=O)Nc1cccc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)c1 ZINC000225833785 569409282 /nfs/dbraw/zinc/40/92/82/569409282.db2.gz NHTHXQOEHMPAOZ-VIFPVBQESA-N -1 3 432.285 3.900 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccccc1F)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000017822869 557124482 /nfs/dbraw/zinc/12/44/82/557124482.db2.gz FIFWEEJBBWAZQK-QHAWAJNXSA-N -1 3 433.395 3.785 50 5 IHBAHM O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1ccccc1[N+](=O)[O-] ZINC000018068841 557235012 /nfs/dbraw/zinc/23/50/12/557235012.db2.gz LEDCWLZFYZHCKR-QHAWAJNXSA-N -1 3 433.395 3.785 50 5 IHBAHM COc1ccc(N2OC3=C([O-])N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000101894032 557305907 /nfs/dbraw/zinc/30/59/07/557305907.db2.gz FZKPBSNVJMQEFD-FSSWDIPSSA-N -1 3 445.431 3.655 50 5 IHBAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000015671327 568802794 /nfs/dbraw/zinc/80/27/94/568802794.db2.gz YOJMMSBZYAWVTH-UHFFFAOYSA-N -1 3 442.501 3.612 50 5 IHBAHM O=c1[nH]c2cc3c(cc2cc1-c1c2c[nH]nc2nc2c4ccc([O-])cc4oc21)OCCO3 ZINC000217832532 568883418 /nfs/dbraw/zinc/88/34/18/568883418.db2.gz UHKYOWBTPKKSIE-UHFFFAOYSA-N -1 3 426.388 3.843 50 5 biogenic IHBAHM COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1[N-]C(=O)c1ccco1 ZINC000016447393 568902666 /nfs/dbraw/zinc/90/26/66/568902666.db2.gz AZWOHWBDENNOGW-UHFFFAOYSA-N -1 3 429.410 3.849 50 5 IHBAHM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2[N-]C(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000003641583 569455547 /nfs/dbraw/zinc/45/55/47/569455547.db2.gz MJXAVEFPFVFLKO-OAQYLSRUSA-N -1 3 448.435 3.524 50 5 IHBAHM COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000009662138 569557101 /nfs/dbraw/zinc/55/71/01/569557101.db2.gz PVOJOFBXZQYJFR-UHFFFAOYSA-N -1 3 449.876 3.685 50 5 IHBAHM