smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000001298661 551637683 /nfs/dbraw/zinc/63/76/83/551637683.db2.gz XDJVBOVYZPVUFC-VABKMULXSA-N 0 2 544.347 4.970 40 5 KJBBLN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000003889380 552421915 /nfs/dbraw/zinc/42/19/15/552421915.db2.gz XZOIJUHMBUKQTL-UKILVPOCSA-N 0 2 533.491 4.949 40 5 KJBBLN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]23)C1O ZINC000008969816 553195012 /nfs/dbraw/zinc/19/50/12/553195012.db2.gz KJJSEYOOWMMQIN-NGSHPTGOSA-N 0 2 513.937 4.955 40 5 KJBBLN Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C(=C(C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]23)C1O ZINC000008969821 553195092 /nfs/dbraw/zinc/19/50/92/553195092.db2.gz KJJSEYOOWMMQIN-VPBXCIAMSA-N 0 2 513.937 4.955 40 5 KJBBLN CC(=O)[C@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009349768 553244949 /nfs/dbraw/zinc/24/49/49/553244949.db2.gz ZMDOZOHHCXQZTJ-YKKMPQLRSA-N 0 2 513.937 4.810 40 5 KJBBLN CC(=O)[C@H]1C(=C(O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009460893 553266915 /nfs/dbraw/zinc/26/69/15/553266915.db2.gz ZMDOZOHHCXQZTJ-MEWSVHOLSA-N 0 2 513.937 4.810 40 5 KJBBLN COc1ccc(Br)cc1[C@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1cccc([N+](=O)[O-])c1 ZINC000097954864 553826125 /nfs/dbraw/zinc/82/61/25/553826125.db2.gz ZHOHUBOBSUQXHY-FKBYEOEOSA-N 0 2 542.317 4.556 40 5 KJBBLN O=C(Nc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])s2)cc1)c1cc(-c2ccncc2)nc2ccccc21 ZINC000100932794 554527880 /nfs/dbraw/zinc/52/78/80/554527880.db2.gz NFFDAOIKJNACEL-UHFFFAOYSA-N 0 2 532.563 4.715 40 5 KJBBLN Cc1c(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2cc(Br)cc([N+](=O)[O-])c2O)c(=O)n(-c2ccccc2)n1C ZINC000101017861 554561148 /nfs/dbraw/zinc/56/11/48/554561148.db2.gz UHKRPMVKFSKRQK-UHFFFAOYSA-N 0 2 604.461 4.839 40 5 KJBBLN COc1cc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000101097006 554584832 /nfs/dbraw/zinc/58/48/32/554584832.db2.gz XDJVBOVYZPVUFC-VJBWXMMDSA-N 0 2 544.347 4.970 40 5 KJBBLN O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000101148390 554656536 /nfs/dbraw/zinc/65/65/36/554656536.db2.gz WKDKZZHPHWELTK-UHFFFAOYSA-N 0 2 559.379 4.568 40 5 KJBBLN COc1ccc(Br)cc1[C@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1cccc([N+](=O)[O-])c1 ZINC000101181468 554667100 /nfs/dbraw/zinc/66/71/00/554667100.db2.gz ZHOHUBOBSUQXHY-FSSWDIPSSA-N 0 2 542.317 4.556 40 5 KJBBLN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000101622842 554810266 /nfs/dbraw/zinc/81/02/66/554810266.db2.gz XZOIJUHMBUKQTL-ZCYQVOJMSA-N 0 2 533.491 4.949 40 5 KJBBLN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000101622846 554810339 /nfs/dbraw/zinc/81/03/39/554810339.db2.gz XZOIJUHMBUKQTL-NOZRDPDXSA-N 0 2 533.491 4.949 40 5 KJBBLN Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(c1c(C)[nH]n(-c2ccc(F)cc2)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000101622849 554810287 /nfs/dbraw/zinc/81/02/87/554810287.db2.gz XZOIJUHMBUKQTL-ILBGXUMGSA-N 0 2 533.491 4.949 40 5 KJBBLN COc1cc([C@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000102739120 555027681 /nfs/dbraw/zinc/02/76/81/555027681.db2.gz XDJVBOVYZPVUFC-XPWALMASSA-N 0 2 544.347 4.970 40 5 KJBBLN COc1ccc(Br)cc1[C@H]1c2c(O)n(-c3ccc(F)cc3)c(O)c2ON1c1cccc([N+](=O)[O-])c1 ZINC000102759431 555051231 /nfs/dbraw/zinc/05/12/31/555051231.db2.gz ZHOHUBOBSUQXHY-BHIFYINESA-N 0 2 542.317 4.556 40 5 KJBBLN Cc1ccc(C(c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)o1 ZINC000103762225 555471600 /nfs/dbraw/zinc/47/16/00/555471600.db2.gz UACLTCQQDSVYPA-UHFFFAOYSA-N 0 2 530.497 4.984 40 5 KJBBLN COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n31)c1ccccc1CC2 ZINC000104655066 571383508 /nfs/dbraw/zinc/38/35/08/571383508.db2.gz CSFYJYZWHOXOGC-VVNKCDPRSA-N 0 2 590.455 4.704 40 5 KJBBLN COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n31)c1ccccc1CC2 ZINC000104655070 571383542 /nfs/dbraw/zinc/38/35/42/571383542.db2.gz CSFYJYZWHOXOGC-PLQXQRLBSA-N 0 2 590.455 4.704 40 5 KJBBLN O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656049 571383886 /nfs/dbraw/zinc/38/38/86/571383886.db2.gz CVWOZFHIKSNARP-AQIZGWBQSA-N 0 2 560.429 4.695 40 5 KJBBLN O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656053 571383873 /nfs/dbraw/zinc/38/38/73/571383873.db2.gz CVWOZFHIKSNARP-ZDGAQAAHSA-N 0 2 560.429 4.695 40 5 KJBBLN O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656362 571383973 /nfs/dbraw/zinc/38/39/73/571383973.db2.gz CYNBCPZSHQMMPY-CBYYHRJHSA-N 0 2 560.429 4.695 40 5 KJBBLN O=c1/c(=C/c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Br)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000104656365 571383981 /nfs/dbraw/zinc/38/39/81/571383981.db2.gz CYNBCPZSHQMMPY-PNZYDNNZSA-N 0 2 560.429 4.695 40 5 KJBBLN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc([N+](=O)[O-])c5O)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656972 571384218 /nfs/dbraw/zinc/38/42/18/571384218.db2.gz SCSVYKUBRHAUMI-VVNKCDPRSA-N 0 2 590.455 4.704 40 5 KJBBLN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(Br)cc([N+](=O)[O-])c5O)c(=O)n42)c2ccccc2CC3)cc1 ZINC000104656978 571384204 /nfs/dbraw/zinc/38/42/04/571384204.db2.gz SCSVYKUBRHAUMI-PLQXQRLBSA-N 0 2 590.455 4.704 40 5 KJBBLN COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000106447895 571412650 /nfs/dbraw/zinc/41/26/50/571412650.db2.gz CHVVDJHUAZTIMY-UHFFFAOYSA-N 0 2 530.906 4.653 40 5 KJBBLN O=C1S/C(=C\c2cc(Br)c(O)c(Br)c2O)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739650 571417194 /nfs/dbraw/zinc/41/71/94/571417194.db2.gz REUFVZSGBUFZGE-SDQBBNPISA-N 0 2 530.150 4.768 40 5 KJBBLN O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000142840612 571456004 /nfs/dbraw/zinc/45/60/04/571456004.db2.gz AGHNMLLTNUQFRK-RWTNITNYSA-N 0 2 560.429 4.695 40 5 KJBBLN O=c1/c(=C/c2cc(Br)cc([N+](=O)[O-])c2O)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 ZINC000142840837 571456101 /nfs/dbraw/zinc/45/61/01/571456101.db2.gz AGHNMLLTNUQFRK-MFUBYVTQSA-N 0 2 560.429 4.695 40 5 KJBBLN O=c1/c(=C\c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000145524721 571456608 /nfs/dbraw/zinc/45/66/08/571456608.db2.gz DNNLVYVIZFRXPF-AQIZGWBQSA-N 0 2 515.978 4.586 40 5 KJBBLN O=c1/c(=C\c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000145525162 571456576 /nfs/dbraw/zinc/45/65/76/571456576.db2.gz DNNLVYVIZFRXPF-ZDGAQAAHSA-N 0 2 515.978 4.586 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563518 572249449 /nfs/dbraw/zinc/24/94/49/572249449.db2.gz ARQNMEBSMKUFGF-FODJJAHYSA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563519 572249457 /nfs/dbraw/zinc/24/94/57/572249457.db2.gz ARQNMEBSMKUFGF-GJECAEJISA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563520 572249452 /nfs/dbraw/zinc/24/94/52/572249452.db2.gz ARQNMEBSMKUFGF-SQOVJYTMSA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000408563521 572249585 /nfs/dbraw/zinc/24/95/85/572249585.db2.gz ARQNMEBSMKUFGF-ZNCVFPSASA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563818 572249812 /nfs/dbraw/zinc/24/98/12/572249812.db2.gz AYYWOOUFYQWLDT-FODJJAHYSA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563820 572249827 /nfs/dbraw/zinc/24/98/27/572249827.db2.gz AYYWOOUFYQWLDT-GJECAEJISA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563823 572249849 /nfs/dbraw/zinc/24/98/49/572249849.db2.gz AYYWOOUFYQWLDT-SQOVJYTMSA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000408563826 572249864 /nfs/dbraw/zinc/24/98/64/572249864.db2.gz AYYWOOUFYQWLDT-ZNCVFPSASA-N 0 2 556.388 4.698 40 5 KJBBLN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Br)cc1 ZINC000408563926 572250137 /nfs/dbraw/zinc/25/01/37/572250137.db2.gz BNOYWARKQMEOGE-LNXUECGXSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 ZINC000408563927 572250181 /nfs/dbraw/zinc/25/01/81/572250181.db2.gz BNOYWARKQMEOGE-VFHOHQAYSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@]4(C(=O)Nc5ccccc54)[C@H]3[N+](=O)[O-])cc2Br)cc1 ZINC000408563930 572250152 /nfs/dbraw/zinc/25/01/52/572250152.db2.gz BNOYWARKQMEOGE-YLORPAJWSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc([C@@H]3CN(C)[C@@]4(C(=O)Nc5ccccc54)[C@@H]3[N+](=O)[O-])cc2Br)cc1 ZINC000408563933 572250169 /nfs/dbraw/zinc/25/01/69/572250169.db2.gz BNOYWARKQMEOGE-YQIFXUADSA-N 0 2 522.399 4.858 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@H]1CCCN12 ZINC000408564716 572250903 /nfs/dbraw/zinc/25/09/03/572250903.db2.gz FEKMAXILYOVRBB-AWTIUKJOSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408564717 572250922 /nfs/dbraw/zinc/25/09/22/572250922.db2.gz FEKMAXILYOVRBB-TUPPOGIXSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@@H]1CCCN12 ZINC000408564718 572250784 /nfs/dbraw/zinc/25/07/84/572250784.db2.gz FEKMAXILYOVRBB-UQBYDPJISA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c1)[C@H]1CCCN12 ZINC000408564719 572250757 /nfs/dbraw/zinc/25/07/57/572250757.db2.gz FEKMAXILYOVRBB-YUHKXCSQSA-N 0 2 579.407 4.991 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564722 572250819 /nfs/dbraw/zinc/25/08/19/572250819.db2.gz FHGDRBVJPFVJJH-FODJJAHYSA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564723 572250935 /nfs/dbraw/zinc/25/09/35/572250935.db2.gz FHGDRBVJPFVJJH-GJECAEJISA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564724 572250789 /nfs/dbraw/zinc/25/07/89/572250789.db2.gz FHGDRBVJPFVJJH-SQOVJYTMSA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408564725 572250795 /nfs/dbraw/zinc/25/07/95/572250795.db2.gz FHGDRBVJPFVJJH-ZNCVFPSASA-N 0 2 511.937 4.589 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564728 572250870 /nfs/dbraw/zinc/25/08/70/572250870.db2.gz FLERSMAOVXBKHZ-IPEONRORSA-N 0 2 525.964 4.979 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564729 572250898 /nfs/dbraw/zinc/25/08/98/572250898.db2.gz FLERSMAOVXBKHZ-OTGIWPJISA-N 0 2 525.964 4.979 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564730 572250873 /nfs/dbraw/zinc/25/08/73/572250873.db2.gz FLERSMAOVXBKHZ-STNVRERYSA-N 0 2 525.964 4.979 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408564731 572250855 /nfs/dbraw/zinc/25/08/55/572250855.db2.gz FLERSMAOVXBKHZ-YJIIWGRFSA-N 0 2 525.964 4.979 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN12 ZINC000408564732 572250885 /nfs/dbraw/zinc/25/08/85/572250885.db2.gz FNFMNONSIKTJHT-AWTIUKJOSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN12 ZINC000408564732 572250884 /nfs/dbraw/zinc/25/08/84/572250884.db2.gz FNFMNONSIKTJHT-AWTIUKJOSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN12 ZINC000408564733 572250808 /nfs/dbraw/zinc/25/08/08/572250808.db2.gz FNFMNONSIKTJHT-TUPPOGIXSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN12 ZINC000408564733 572250806 /nfs/dbraw/zinc/25/08/06/572250806.db2.gz FNFMNONSIKTJHT-TUPPOGIXSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN12 ZINC000408564734 572250910 /nfs/dbraw/zinc/25/09/10/572250910.db2.gz FNFMNONSIKTJHT-UQBYDPJISA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN12 ZINC000408564734 572250906 /nfs/dbraw/zinc/25/09/06/572250906.db2.gz FNFMNONSIKTJHT-UQBYDPJISA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN12 ZINC000408564735 572250842 /nfs/dbraw/zinc/25/08/42/572250842.db2.gz FNFMNONSIKTJHT-YUHKXCSQSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)[C@H]1CCCN12 ZINC000408564735 572250839 /nfs/dbraw/zinc/25/08/39/572250839.db2.gz FNFMNONSIKTJHT-YUHKXCSQSA-N 0 2 579.407 4.991 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564740 572250780 /nfs/dbraw/zinc/25/07/80/572250780.db2.gz FPPWYFGYGYASFC-HFRGRHLUSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564740 572250778 /nfs/dbraw/zinc/25/07/78/572250778.db2.gz FPPWYFGYGYASFC-HFRGRHLUSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564741 572250867 /nfs/dbraw/zinc/25/08/67/572250867.db2.gz FPPWYFGYGYASFC-NIDLKEISSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564741 572250865 /nfs/dbraw/zinc/25/08/65/572250865.db2.gz FPPWYFGYGYASFC-NIDLKEISSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564742 572250833 /nfs/dbraw/zinc/25/08/33/572250833.db2.gz FPPWYFGYGYASFC-RZPHLTDDSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564742 572250832 /nfs/dbraw/zinc/25/08/32/572250832.db2.gz FPPWYFGYGYASFC-RZPHLTDDSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564743 572250799 /nfs/dbraw/zinc/25/07/99/572250799.db2.gz FPPWYFGYGYASFC-VPHKFGTKSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564743 572250797 /nfs/dbraw/zinc/25/07/97/572250797.db2.gz FPPWYFGYGYASFC-VPHKFGTKSA-N 0 2 508.372 4.550 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564913 572251342 /nfs/dbraw/zinc/25/13/42/572251342.db2.gz GKGDPRJAPXPMLT-LNXUECGXSA-N 0 2 538.398 4.559 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564914 572251317 /nfs/dbraw/zinc/25/13/17/572251317.db2.gz GKGDPRJAPXPMLT-VFHOHQAYSA-N 0 2 538.398 4.559 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564915 572251201 /nfs/dbraw/zinc/25/12/01/572251201.db2.gz GKGDPRJAPXPMLT-YLORPAJWSA-N 0 2 538.398 4.559 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408564916 572251271 /nfs/dbraw/zinc/25/12/71/572251271.db2.gz GKGDPRJAPXPMLT-YQIFXUADSA-N 0 2 538.398 4.559 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565154 572251829 /nfs/dbraw/zinc/25/18/29/572251829.db2.gz IBYFFEDPEWMCAI-AWTIUKJOSA-N 0 2 534.956 4.882 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565155 572251854 /nfs/dbraw/zinc/25/18/54/572251854.db2.gz IBYFFEDPEWMCAI-TUPPOGIXSA-N 0 2 534.956 4.882 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408565156 572251810 /nfs/dbraw/zinc/25/18/10/572251810.db2.gz IBYFFEDPEWMCAI-UQBYDPJISA-N 0 2 534.956 4.882 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c1)[C@H]1CCCN12 ZINC000408565157 572251764 /nfs/dbraw/zinc/25/17/64/572251764.db2.gz IBYFFEDPEWMCAI-YUHKXCSQSA-N 0 2 534.956 4.882 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565227 572252097 /nfs/dbraw/zinc/25/20/97/572252097.db2.gz IZOBXDOSXJZXBG-DPQOWFAMSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565228 572252094 /nfs/dbraw/zinc/25/20/94/572252094.db2.gz IZOBXDOSXJZXBG-DVKBMCPXSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565230 572252139 /nfs/dbraw/zinc/25/21/39/572252139.db2.gz IZOBXDOSXJZXBG-FMNCTDSISA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565233 572252043 /nfs/dbraw/zinc/25/20/43/572252043.db2.gz IZOBXDOSXJZXBG-MQVPCNEGSA-N 0 2 526.362 4.689 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408565271 572252101 /nfs/dbraw/zinc/25/21/01/572252101.db2.gz JFDZMOPZTPVXEC-HQCZVFHSSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 ZINC000408565271 572252099 /nfs/dbraw/zinc/25/20/99/572252099.db2.gz JFDZMOPZTPVXEC-HQCZVFHSSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408565273 572252068 /nfs/dbraw/zinc/25/20/68/572252068.db2.gz JFDZMOPZTPVXEC-KHMOSXFSSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 ZINC000408565273 572252067 /nfs/dbraw/zinc/25/20/67/572252067.db2.gz JFDZMOPZTPVXEC-KHMOSXFSSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408565274 572252055 /nfs/dbraw/zinc/25/20/55/572252055.db2.gz JFDZMOPZTPVXEC-OCDQVXHZSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408565274 572252053 /nfs/dbraw/zinc/25/20/53/572252053.db2.gz JFDZMOPZTPVXEC-OCDQVXHZSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)C2[N+](=O)[O-])cc1 ZINC000408565276 572252064 /nfs/dbraw/zinc/25/20/64/572252064.db2.gz JFDZMOPZTPVXEC-RJWMVNQGSA-N 0 2 522.399 4.858 40 5 KJBBLN Cc1ccc(COc2ccc(Br)cc2[C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 ZINC000408565276 572252062 /nfs/dbraw/zinc/25/20/62/572252062.db2.gz JFDZMOPZTPVXEC-RJWMVNQGSA-N 0 2 522.399 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1F ZINC000408565281 572252434 /nfs/dbraw/zinc/25/24/34/572252434.db2.gz JGPXSKCDJCKQRQ-DEEGFUGBSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1F ZINC000408565286 572252436 /nfs/dbraw/zinc/25/24/36/572252436.db2.gz JGPXSKCDJCKQRQ-HTZSSYRZSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1F ZINC000408565289 572252473 /nfs/dbraw/zinc/25/24/73/572252473.db2.gz JGPXSKCDJCKQRQ-UMDVNSCSSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1F ZINC000408565291 572252496 /nfs/dbraw/zinc/25/24/96/572252496.db2.gz JGPXSKCDJCKQRQ-USCUKXROSA-N 0 2 517.557 4.858 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565318 572252447 /nfs/dbraw/zinc/25/24/47/572252447.db2.gz JRMUFPCPRNAIHS-KNHXXRFOSA-N 0 2 509.562 4.949 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565320 572252494 /nfs/dbraw/zinc/25/24/94/572252494.db2.gz JRMUFPCPRNAIHS-PMEHDDBTSA-N 0 2 509.562 4.949 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565322 572252441 /nfs/dbraw/zinc/25/24/41/572252441.db2.gz JRMUFPCPRNAIHS-TVHSXNCYSA-N 0 2 509.562 4.949 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408565324 572252502 /nfs/dbraw/zinc/25/25/02/572252502.db2.gz JRMUFPCPRNAIHS-ZSNHWWIQSA-N 0 2 509.562 4.949 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565395 572252613 /nfs/dbraw/zinc/25/26/13/572252613.db2.gz KGXPSFGKSPJRAS-BYGVMDBSSA-N 0 2 552.425 4.949 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565396 572252562 /nfs/dbraw/zinc/25/25/62/572252562.db2.gz KGXPSFGKSPJRAS-DNKZPPIMSA-N 0 2 552.425 4.949 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565397 572252532 /nfs/dbraw/zinc/25/25/32/572252532.db2.gz KGXPSFGKSPJRAS-UYDITSSVSA-N 0 2 552.425 4.949 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408565398 572252696 /nfs/dbraw/zinc/25/26/96/572252696.db2.gz KGXPSFGKSPJRAS-YDOVEJIGSA-N 0 2 552.425 4.949 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565570 572252762 /nfs/dbraw/zinc/25/27/62/572252762.db2.gz LLDGAOLQDGHWOE-HFRGRHLUSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565570 572252760 /nfs/dbraw/zinc/25/27/60/572252760.db2.gz LLDGAOLQDGHWOE-HFRGRHLUSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565571 572252883 /nfs/dbraw/zinc/25/28/83/572252883.db2.gz LLDGAOLQDGHWOE-NIDLKEISSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565571 572252881 /nfs/dbraw/zinc/25/28/81/572252881.db2.gz LLDGAOLQDGHWOE-NIDLKEISSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565572 572252880 /nfs/dbraw/zinc/25/28/80/572252880.db2.gz LLDGAOLQDGHWOE-RZPHLTDDSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565572 572252879 /nfs/dbraw/zinc/25/28/79/572252879.db2.gz LLDGAOLQDGHWOE-RZPHLTDDSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565573 572252887 /nfs/dbraw/zinc/25/28/87/572252887.db2.gz LLDGAOLQDGHWOE-VPHKFGTKSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565573 572252886 /nfs/dbraw/zinc/25/28/86/572252886.db2.gz LLDGAOLQDGHWOE-VPHKFGTKSA-N 0 2 526.362 4.689 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408565595 572252895 /nfs/dbraw/zinc/25/28/95/572252895.db2.gz LNBYURHYLGIBHM-HSWHJCFASA-N 0 2 519.985 4.982 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408565598 572252891 /nfs/dbraw/zinc/25/28/91/572252891.db2.gz LNBYURHYLGIBHM-MOXRBOSHSA-N 0 2 519.985 4.982 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408565600 572252937 /nfs/dbraw/zinc/25/29/37/572252937.db2.gz LNBYURHYLGIBHM-PBPLDAPSSA-N 0 2 519.985 4.982 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(Cl)cc1 ZINC000408565602 572252949 /nfs/dbraw/zinc/25/29/49/572252949.db2.gz LNBYURHYLGIBHM-RBYFDUNASA-N 0 2 519.985 4.982 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN12 ZINC000408565643 572252923 /nfs/dbraw/zinc/25/29/23/572252923.db2.gz LQHOVHIGBZMWPB-AWTIUKJOSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN12 ZINC000408565643 572252922 /nfs/dbraw/zinc/25/29/22/572252922.db2.gz LQHOVHIGBZMWPB-AWTIUKJOSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN12 ZINC000408565646 572252933 /nfs/dbraw/zinc/25/29/33/572252933.db2.gz LQHOVHIGBZMWPB-TUPPOGIXSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN12 ZINC000408565646 572252932 /nfs/dbraw/zinc/25/29/32/572252932.db2.gz LQHOVHIGBZMWPB-TUPPOGIXSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN12 ZINC000408565648 572252890 /nfs/dbraw/zinc/25/28/90/572252890.db2.gz LQHOVHIGBZMWPB-UQBYDPJISA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN12 ZINC000408565648 572252889 /nfs/dbraw/zinc/25/28/89/572252889.db2.gz LQHOVHIGBZMWPB-UQBYDPJISA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12C([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN12 ZINC000408565649 572252959 /nfs/dbraw/zinc/25/29/59/572252959.db2.gz LQHOVHIGBZMWPB-YUHKXCSQSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN12 ZINC000408565649 572252957 /nfs/dbraw/zinc/25/29/57/572252957.db2.gz LQHOVHIGBZMWPB-YUHKXCSQSA-N 0 2 579.407 4.991 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565937 572253208 /nfs/dbraw/zinc/25/32/08/572253208.db2.gz MFUVZMLSLUTHOI-DPQOWFAMSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565937 572253207 /nfs/dbraw/zinc/25/32/07/572253207.db2.gz MFUVZMLSLUTHOI-DPQOWFAMSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565940 572253190 /nfs/dbraw/zinc/25/31/90/572253190.db2.gz MFUVZMLSLUTHOI-DVKBMCPXSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565940 572253189 /nfs/dbraw/zinc/25/31/89/572253189.db2.gz MFUVZMLSLUTHOI-DVKBMCPXSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565942 572253165 /nfs/dbraw/zinc/25/31/65/572253165.db2.gz MFUVZMLSLUTHOI-FMNCTDSISA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565942 572253164 /nfs/dbraw/zinc/25/31/64/572253164.db2.gz MFUVZMLSLUTHOI-FMNCTDSISA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565945 572253347 /nfs/dbraw/zinc/25/33/47/572253347.db2.gz MFUVZMLSLUTHOI-MQVPCNEGSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccccc2F)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565945 572253346 /nfs/dbraw/zinc/25/33/46/572253346.db2.gz MFUVZMLSLUTHOI-MQVPCNEGSA-N 0 2 526.362 4.689 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566060 572253349 /nfs/dbraw/zinc/25/33/49/572253349.db2.gz MSSAOKWENSQKQU-BYGVMDBSSA-N 0 2 525.964 4.979 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566063 572253446 /nfs/dbraw/zinc/25/34/46/572253446.db2.gz MSSAOKWENSQKQU-DNKZPPIMSA-N 0 2 525.964 4.979 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566064 572253463 /nfs/dbraw/zinc/25/34/63/572253463.db2.gz MSSAOKWENSQKQU-UYDITSSVSA-N 0 2 525.964 4.979 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000408566068 572253430 /nfs/dbraw/zinc/25/34/30/572253430.db2.gz MSSAOKWENSQKQU-YDOVEJIGSA-N 0 2 525.964 4.979 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566071 572253474 /nfs/dbraw/zinc/25/34/74/572253474.db2.gz MTGIBFHAPQTTMW-BYGVMDBSSA-N 0 2 552.425 4.867 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566075 572253505 /nfs/dbraw/zinc/25/35/05/572253505.db2.gz MTGIBFHAPQTTMW-DNKZPPIMSA-N 0 2 552.425 4.867 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566077 572253419 /nfs/dbraw/zinc/25/34/19/572253419.db2.gz MTGIBFHAPQTTMW-UYDITSSVSA-N 0 2 552.425 4.867 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 ZINC000408566079 572253479 /nfs/dbraw/zinc/25/34/79/572253479.db2.gz MTGIBFHAPQTTMW-YDOVEJIGSA-N 0 2 552.425 4.867 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566265 572253523 /nfs/dbraw/zinc/25/35/23/572253523.db2.gz NKSPKXBOOFLQSD-FBQMUFCQSA-N 0 2 552.425 4.949 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566267 572253644 /nfs/dbraw/zinc/25/36/44/572253644.db2.gz NKSPKXBOOFLQSD-FESMNKHTSA-N 0 2 552.425 4.949 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566272 572253584 /nfs/dbraw/zinc/25/35/84/572253584.db2.gz NKSPKXBOOFLQSD-OICBGKIFSA-N 0 2 552.425 4.949 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408566276 572253634 /nfs/dbraw/zinc/25/36/34/572253634.db2.gz NKSPKXBOOFLQSD-QOAWAWRESA-N 0 2 552.425 4.949 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566340 572253753 /nfs/dbraw/zinc/25/37/53/572253753.db2.gz NPUUAULHYXVJMM-JHMXWDHMSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566341 572253748 /nfs/dbraw/zinc/25/37/48/572253748.db2.gz NPUUAULHYXVJMM-PBXXJUDPSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566342 572253742 /nfs/dbraw/zinc/25/37/42/572253742.db2.gz NPUUAULHYXVJMM-QFZRFWILSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566346 572253687 /nfs/dbraw/zinc/25/36/87/572253687.db2.gz NPUUAULHYXVJMM-XRODADMRSA-N 0 2 508.372 4.550 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566397 572253738 /nfs/dbraw/zinc/25/37/38/572253738.db2.gz NTNHMRXDRBXRPS-FBQMUFCQSA-N 0 2 507.974 4.840 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566400 572253750 /nfs/dbraw/zinc/25/37/50/572253750.db2.gz NTNHMRXDRBXRPS-FESMNKHTSA-N 0 2 507.974 4.840 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566402 572253733 /nfs/dbraw/zinc/25/37/33/572253733.db2.gz NTNHMRXDRBXRPS-OICBGKIFSA-N 0 2 507.974 4.840 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000408566404 572253683 /nfs/dbraw/zinc/25/36/83/572253683.db2.gz NTNHMRXDRBXRPS-QOAWAWRESA-N 0 2 507.974 4.840 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566420 572253769 /nfs/dbraw/zinc/25/37/69/572253769.db2.gz NXBBDFKARBLFHU-DPQOWFAMSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566422 572253702 /nfs/dbraw/zinc/25/37/02/572253702.db2.gz NXBBDFKARBLFHU-DVKBMCPXSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566424 572253712 /nfs/dbraw/zinc/25/37/12/572253712.db2.gz NXBBDFKARBLFHU-FMNCTDSISA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2ccc(OCc3cccc(F)c3)c(Br)c2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566426 572253722 /nfs/dbraw/zinc/25/37/22/572253722.db2.gz NXBBDFKARBLFHU-MQVPCNEGSA-N 0 2 526.362 4.689 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1Cl ZINC000408566445 572253760 /nfs/dbraw/zinc/25/37/60/572253760.db2.gz OELINZZKOBISFK-HSWHJCFASA-N 0 2 519.985 4.982 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1Cl ZINC000408566447 572253775 /nfs/dbraw/zinc/25/37/75/572253775.db2.gz OELINZZKOBISFK-MOXRBOSHSA-N 0 2 519.985 4.982 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1Cl ZINC000408566449 572253781 /nfs/dbraw/zinc/25/37/81/572253781.db2.gz OELINZZKOBISFK-PBPLDAPSSA-N 0 2 519.985 4.982 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccccc1Cl ZINC000408566450 572253794 /nfs/dbraw/zinc/25/37/94/572253794.db2.gz OELINZZKOBISFK-RBYFDUNASA-N 0 2 519.985 4.982 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566742 572253867 /nfs/dbraw/zinc/25/38/67/572253867.db2.gz OPIOLBKLABFEIM-BBFXTFFKSA-N 0 2 564.982 4.890 40 5 KJBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566742 572253866 /nfs/dbraw/zinc/25/38/66/572253866.db2.gz OPIOLBKLABFEIM-BBFXTFFKSA-N 0 2 564.982 4.890 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566744 572253928 /nfs/dbraw/zinc/25/39/28/572253928.db2.gz OPIOLBKLABFEIM-BQGAEBSMSA-N 0 2 564.982 4.890 40 5 KJBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566744 572253926 /nfs/dbraw/zinc/25/39/26/572253926.db2.gz OPIOLBKLABFEIM-BQGAEBSMSA-N 0 2 564.982 4.890 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566748 572253904 /nfs/dbraw/zinc/25/39/04/572253904.db2.gz OPIOLBKLABFEIM-NUWWLQTNSA-N 0 2 564.982 4.890 40 5 KJBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566748 572253902 /nfs/dbraw/zinc/25/39/02/572253902.db2.gz OPIOLBKLABFEIM-NUWWLQTNSA-N 0 2 564.982 4.890 40 5 KJBBLN COc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566751 572253912 /nfs/dbraw/zinc/25/39/12/572253912.db2.gz OPIOLBKLABFEIM-XABOBXATSA-N 0 2 564.982 4.890 40 5 KJBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408566751 572253910 /nfs/dbraw/zinc/25/39/10/572253910.db2.gz OPIOLBKLABFEIM-XABOBXATSA-N 0 2 564.982 4.890 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566785 572253991 /nfs/dbraw/zinc/25/39/91/572253991.db2.gz OTPPZXPLJBHXJD-HFRGRHLUSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566785 572253990 /nfs/dbraw/zinc/25/39/90/572253990.db2.gz OTPPZXPLJBHXJD-HFRGRHLUSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566788 572253983 /nfs/dbraw/zinc/25/39/83/572253983.db2.gz OTPPZXPLJBHXJD-NIDLKEISSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566788 572253982 /nfs/dbraw/zinc/25/39/82/572253982.db2.gz OTPPZXPLJBHXJD-NIDLKEISSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566790 572253979 /nfs/dbraw/zinc/25/39/79/572253979.db2.gz OTPPZXPLJBHXJD-RZPHLTDDSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566790 572253978 /nfs/dbraw/zinc/25/39/78/572253978.db2.gz OTPPZXPLJBHXJD-RZPHLTDDSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566793 572254073 /nfs/dbraw/zinc/25/40/73/572254073.db2.gz OTPPZXPLJBHXJD-VPHKFGTKSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566793 572254070 /nfs/dbraw/zinc/25/40/70/572254070.db2.gz OTPPZXPLJBHXJD-VPHKFGTKSA-N 0 2 526.362 4.689 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566820 572254009 /nfs/dbraw/zinc/25/40/09/572254009.db2.gz PCHIFYJXYAAXOB-HFRGRHLUSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566820 572254008 /nfs/dbraw/zinc/25/40/08/572254008.db2.gz PCHIFYJXYAAXOB-HFRGRHLUSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566821 572253977 /nfs/dbraw/zinc/25/39/77/572253977.db2.gz PCHIFYJXYAAXOB-NIDLKEISSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566821 572253976 /nfs/dbraw/zinc/25/39/76/572253976.db2.gz PCHIFYJXYAAXOB-NIDLKEISSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566822 572254038 /nfs/dbraw/zinc/25/40/38/572254038.db2.gz PCHIFYJXYAAXOB-RZPHLTDDSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408566822 572254036 /nfs/dbraw/zinc/25/40/36/572254036.db2.gz PCHIFYJXYAAXOB-RZPHLTDDSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566823 572254049 /nfs/dbraw/zinc/25/40/49/572254049.db2.gz PCHIFYJXYAAXOB-VPHKFGTKSA-N 0 2 508.372 4.550 40 5 KJBBLN CN1C[C@H](c2ccccc2OCc2ccc(Br)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408566823 572254048 /nfs/dbraw/zinc/25/40/48/572254048.db2.gz PCHIFYJXYAAXOB-VPHKFGTKSA-N 0 2 508.372 4.550 40 5 KJBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567148 572254166 /nfs/dbraw/zinc/25/41/66/572254166.db2.gz PZGYAVFWGPEYKG-BBFXTFFKSA-N 0 2 609.433 4.999 40 5 KJBBLN COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567150 572254181 /nfs/dbraw/zinc/25/41/81/572254181.db2.gz PZGYAVFWGPEYKG-BQGAEBSMSA-N 0 2 609.433 4.999 40 5 KJBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567152 572254173 /nfs/dbraw/zinc/25/41/73/572254173.db2.gz PZGYAVFWGPEYKG-NUWWLQTNSA-N 0 2 609.433 4.999 40 5 KJBBLN COc1cc([C@H]2[C@@H]([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408567155 572254160 /nfs/dbraw/zinc/25/41/60/572254160.db2.gz PZGYAVFWGPEYKG-XABOBXATSA-N 0 2 609.433 4.999 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567196 572254243 /nfs/dbraw/zinc/25/42/43/572254243.db2.gz QGIOPEOMPFKHAZ-BQVXCWBNSA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567198 572254255 /nfs/dbraw/zinc/25/42/55/572254255.db2.gz QGIOPEOMPFKHAZ-CIHKJSBTSA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567200 572254263 /nfs/dbraw/zinc/25/42/63/572254263.db2.gz QGIOPEOMPFKHAZ-CNBSGPCYSA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408567202 572254352 /nfs/dbraw/zinc/25/43/52/572254352.db2.gz QGIOPEOMPFKHAZ-NLRIEGLYSA-N 0 2 556.388 4.698 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(F)cc1 ZINC000408567834 572254584 /nfs/dbraw/zinc/25/45/84/572254584.db2.gz RVEXVXTYUPBGQW-DEEGFUGBSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(F)cc1 ZINC000408567835 572254583 /nfs/dbraw/zinc/25/45/83/572254583.db2.gz RVEXVXTYUPBGQW-HTZSSYRZSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(F)cc1 ZINC000408567836 572254516 /nfs/dbraw/zinc/25/45/16/572254516.db2.gz RVEXVXTYUPBGQW-UMDVNSCSSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1ccc(F)cc1 ZINC000408567837 572254590 /nfs/dbraw/zinc/25/45/90/572254590.db2.gz RVEXVXTYUPBGQW-USCUKXROSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc(F)c1 ZINC000408567857 572254507 /nfs/dbraw/zinc/25/45/07/572254507.db2.gz SBWSUDNPXIOKFN-DEEGFUGBSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc(F)c1 ZINC000408567858 572254523 /nfs/dbraw/zinc/25/45/23/572254523.db2.gz SBWSUDNPXIOKFN-HTZSSYRZSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc(F)c1 ZINC000408567859 572254525 /nfs/dbraw/zinc/25/45/25/572254525.db2.gz SBWSUDNPXIOKFN-UMDVNSCSSA-N 0 2 517.557 4.858 40 5 KJBBLN CCOc1cc([C@H]2C([N+](=O)[O-])[C@]3(C(=O)Nc4ccccc43)N3CCC[C@@H]23)ccc1OCc1cccc(F)c1 ZINC000408567860 572254567 /nfs/dbraw/zinc/25/45/67/572254567.db2.gz SBWSUDNPXIOKFN-USCUKXROSA-N 0 2 517.557 4.858 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569333 572255558 /nfs/dbraw/zinc/25/55/58/572255558.db2.gz VRHMBRWPVPKASW-AWTIUKJOSA-N 0 2 534.956 4.882 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569334 572255603 /nfs/dbraw/zinc/25/56/03/572255603.db2.gz VRHMBRWPVPKASW-TUPPOGIXSA-N 0 2 534.956 4.882 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@@H]1CCCN12 ZINC000408569337 572255659 /nfs/dbraw/zinc/25/56/59/572255659.db2.gz VRHMBRWPVPKASW-UQBYDPJISA-N 0 2 534.956 4.882 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c1)[C@H]1CCCN12 ZINC000408569338 572255622 /nfs/dbraw/zinc/25/56/22/572255622.db2.gz VRHMBRWPVPKASW-YUHKXCSQSA-N 0 2 534.956 4.882 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569387 572255576 /nfs/dbraw/zinc/25/55/76/572255576.db2.gz WHSGSRILYXEQJE-FODJJAHYSA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569388 572255583 /nfs/dbraw/zinc/25/55/83/572255583.db2.gz WHSGSRILYXEQJE-GJECAEJISA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569389 572255598 /nfs/dbraw/zinc/25/55/98/572255598.db2.gz WHSGSRILYXEQJE-SQOVJYTMSA-N 0 2 556.388 4.698 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408569390 572255590 /nfs/dbraw/zinc/25/55/90/572255590.db2.gz WHSGSRILYXEQJE-ZNCVFPSASA-N 0 2 556.388 4.698 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569679 572255854 /nfs/dbraw/zinc/25/58/54/572255854.db2.gz WYCSEMJVUFPFJG-BYGVMDBSSA-N 0 2 507.974 4.840 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569680 572255821 /nfs/dbraw/zinc/25/58/21/572255821.db2.gz WYCSEMJVUFPFJG-DNKZPPIMSA-N 0 2 507.974 4.840 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569682 572255897 /nfs/dbraw/zinc/25/58/97/572255897.db2.gz WYCSEMJVUFPFJG-UYDITSSVSA-N 0 2 507.974 4.840 40 5 KJBBLN CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000408569683 572255843 /nfs/dbraw/zinc/25/58/43/572255843.db2.gz WYCSEMJVUFPFJG-YDOVEJIGSA-N 0 2 507.974 4.840 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569711 572256043 /nfs/dbraw/zinc/25/60/43/572256043.db2.gz XDGGIHRXLRKHIG-FODJJAHYSA-N 0 2 538.398 4.559 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569712 572256041 /nfs/dbraw/zinc/25/60/41/572256041.db2.gz XDGGIHRXLRKHIG-GJECAEJISA-N 0 2 538.398 4.559 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569713 572256088 /nfs/dbraw/zinc/25/60/88/572256088.db2.gz XDGGIHRXLRKHIG-SQOVJYTMSA-N 0 2 538.398 4.559 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000408569714 572256069 /nfs/dbraw/zinc/25/60/69/572256069.db2.gz XDGGIHRXLRKHIG-ZNCVFPSASA-N 0 2 538.398 4.559 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408570021 572256149 /nfs/dbraw/zinc/25/61/49/572256149.db2.gz YDRUWFYXFRJNPI-AWTIUKJOSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408570023 572256226 /nfs/dbraw/zinc/25/62/26/572256226.db2.gz YDRUWFYXFRJNPI-TUPPOGIXSA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@@H]1CCCN12 ZINC000408570024 572256237 /nfs/dbraw/zinc/25/62/37/572256237.db2.gz YDRUWFYXFRJNPI-UQBYDPJISA-N 0 2 579.407 4.991 40 5 KJBBLN O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c1)[C@H]1CCCN12 ZINC000408570026 572256181 /nfs/dbraw/zinc/25/61/81/572256181.db2.gz YDRUWFYXFRJNPI-YUHKXCSQSA-N 0 2 579.407 4.991 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570092 572256351 /nfs/dbraw/zinc/25/63/51/572256351.db2.gz YULBYGWGLJFEKZ-BQVXCWBNSA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570093 572256295 /nfs/dbraw/zinc/25/62/95/572256295.db2.gz YULBYGWGLJFEKZ-CIHKJSBTSA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570094 572256372 /nfs/dbraw/zinc/25/63/72/572256372.db2.gz YULBYGWGLJFEKZ-CNBSGPCYSA-N 0 2 511.937 4.589 40 5 KJBBLN COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000408570095 572256336 /nfs/dbraw/zinc/25/63/36/572256336.db2.gz YULBYGWGLJFEKZ-NLRIEGLYSA-N 0 2 511.937 4.589 40 5 KJBBLN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000408996153 1066762103 /nfs/dbraw/zinc/76/21/03/1066762103.db2.gz LFFYWORXQQCPQL-FBRKSOCZSA-N 0 2 569.639 4.673 40 5 KJBBLN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000408996155 1066762063 /nfs/dbraw/zinc/76/20/63/1066762063.db2.gz LFFYWORXQQCPQL-ZPVURNRZSA-N 0 2 569.639 4.673 40 5 KJBBLN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000409003299 1066764883 /nfs/dbraw/zinc/76/48/83/1066764883.db2.gz ZHRWUHBOLZWMMR-FBRKSOCZSA-N 0 2 569.639 4.673 40 5 KJBBLN CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000409003301 1066301200 /nfs/dbraw/zinc/30/12/00/1066301200.db2.gz ZHRWUHBOLZWMMR-ZPVURNRZSA-N 0 2 569.639 4.673 40 5 KJBBLN CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000409171170 1066941781 /nfs/dbraw/zinc/94/17/81/1066941781.db2.gz YKNVCSDJQZLHEL-GOSISDBHSA-N 0 2 539.401 4.583 40 5 KJBBLN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000409171171 1066941880 /nfs/dbraw/zinc/94/18/80/1066941880.db2.gz YKNVCSDJQZLHEL-SFHVURJKSA-N 0 2 539.401 4.583 40 5 KJBBLN CCCCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C2=O)ccc1Cl ZINC000409174125 1066939309 /nfs/dbraw/zinc/93/93/09/1066939309.db2.gz SEECYQYWXONSEM-VXLYETTFSA-N 0 2 533.946 4.586 40 5 KJBBLN COc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000409174215 1066939484 /nfs/dbraw/zinc/93/94/84/1066939484.db2.gz TYLGIVKCUJNCRU-UHFFFAOYSA-N 0 2 652.132 4.657 40 5 KJBBLN