smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)C[C@H](C)C1)C(C)C ZINC001313805569 1071220309 /nfs/dbraw/zinc/22/03/09/1071220309.db2.gz LHTUSOBNTAWSMZ-FQEVSTJZSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1)C(C)C ZINC001313805569 1071220322 /nfs/dbraw/zinc/22/03/22/1071220322.db2.gz LHTUSOBNTAWSMZ-FQEVSTJZSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1)C(C)C ZINC001313805569 1071220335 /nfs/dbraw/zinc/22/03/35/1071220335.db2.gz LHTUSOBNTAWSMZ-FQEVSTJZSA-N 2 1 469.634 3.894 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754198 720908493 /nfs/dbraw/zinc/90/84/93/720908493.db2.gz UGVNHEUEPBWULX-VHGMLXROSA-N 2 1 492.624 3.672 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754198 720908501 /nfs/dbraw/zinc/90/85/01/720908501.db2.gz UGVNHEUEPBWULX-VHGMLXROSA-N 2 1 492.624 3.672 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754195 720908280 /nfs/dbraw/zinc/90/82/80/720908280.db2.gz UGVNHEUEPBWULX-DXKDYLDYSA-N 2 1 492.624 3.672 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754195 720908289 /nfs/dbraw/zinc/90/82/89/720908289.db2.gz UGVNHEUEPBWULX-DXKDYLDYSA-N 2 1 492.624 3.672 20 5 JHBDMP CCCC[N@@H+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001306682466 1069413332 /nfs/dbraw/zinc/41/33/32/1069413332.db2.gz HXIHWWXTAGILHW-UHFFFAOYSA-N 2 1 457.623 3.896 20 5 JHBDMP CCCC[NH+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306682466 1069413339 /nfs/dbraw/zinc/41/33/39/1069413339.db2.gz HXIHWWXTAGILHW-UHFFFAOYSA-N 2 1 457.623 3.896 20 5 JHBDMP CCCC[NH+](C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001306682466 1069413346 /nfs/dbraw/zinc/41/33/46/1069413346.db2.gz HXIHWWXTAGILHW-UHFFFAOYSA-N 2 1 457.623 3.896 20 5 JHBDMP CCOc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC001307803823 1070190431 /nfs/dbraw/zinc/19/04/31/1070190431.db2.gz STBRZNQYZGATKQ-UHFFFAOYSA-N 2 1 452.555 3.920 20 5 JHBDMP CCOc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c([N+](=O)[O-])c1 ZINC001307803823 1070190439 /nfs/dbraw/zinc/19/04/39/1070190439.db2.gz STBRZNQYZGATKQ-UHFFFAOYSA-N 2 1 452.555 3.920 20 5 JHBDMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001313724880 1071031560 /nfs/dbraw/zinc/03/15/60/1071031560.db2.gz SWKFNSVDWZPALM-VQTJNVASSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313863566 1071382581 /nfs/dbraw/zinc/38/25/81/1071382581.db2.gz WJWOKOKRTXFAFD-VQTJNVASSA-N 2 1 499.660 3.662 20 5 JHBDMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680320 719653600 /nfs/dbraw/zinc/65/36/00/719653600.db2.gz FIZPWQWWFYPUMX-UHFFFAOYSA-N 2 1 491.930 3.985 20 5 JHBDMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3cccc([N+](=O)[O-])c3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680320 719653610 /nfs/dbraw/zinc/65/36/10/719653610.db2.gz FIZPWQWWFYPUMX-UHFFFAOYSA-N 2 1 491.930 3.985 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754196 720907951 /nfs/dbraw/zinc/90/79/51/720907951.db2.gz UGVNHEUEPBWULX-GHWGXPKISA-N 2 1 492.624 3.672 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754196 720907954 /nfs/dbraw/zinc/90/79/54/720907954.db2.gz UGVNHEUEPBWULX-GHWGXPKISA-N 2 1 492.624 3.672 20 5 JHBDMP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001307046636 1069785931 /nfs/dbraw/zinc/78/59/31/1069785931.db2.gz XSMWMGRVJDBTSV-IBGZPJMESA-N 2 1 455.607 3.648 20 5 JHBDMP CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC001313698048 1070968869 /nfs/dbraw/zinc/96/88/69/1070968869.db2.gz POEVRFFOBPEBLU-SFHVURJKSA-N 2 1 455.607 3.647 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306407457 1068882053 /nfs/dbraw/zinc/88/20/53/1068882053.db2.gz ZLKLIXPOXVBNEQ-URXFXBBRSA-N 2 1 499.660 3.519 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306407459 1068882842 /nfs/dbraw/zinc/88/28/42/1068882842.db2.gz ZLKLIXPOXVBNEQ-ZJSXRUAMSA-N 2 1 499.660 3.519 20 5 JHBDMP CCC[NH+]1CCC(N(C)c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCC[C@H]2C)CC1 ZINC001307046637 1069786124 /nfs/dbraw/zinc/78/61/24/1069786124.db2.gz XSMWMGRVJDBTSV-LJQANCHMSA-N 2 1 455.607 3.648 20 5 JHBDMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939029 721930398 /nfs/dbraw/zinc/93/03/98/721930398.db2.gz HKOGPECFXQJFEA-FLIBITNWSA-N 2 1 451.571 3.702 20 5 JHBDMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939029 721930400 /nfs/dbraw/zinc/93/04/00/721930400.db2.gz HKOGPECFXQJFEA-FLIBITNWSA-N 2 1 451.571 3.702 20 5 JHBDMP C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314925740 1071368746 /nfs/dbraw/zinc/36/87/46/1071368746.db2.gz ACDUMQFYALQMFY-OAQYLSRUSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313863567 1071382622 /nfs/dbraw/zinc/38/26/22/1071382622.db2.gz WJWOKOKRTXFAFD-WOJBJXKFSA-N 2 1 499.660 3.662 20 5 JHBDMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001313724881 1071031574 /nfs/dbraw/zinc/03/15/74/1071031574.db2.gz SWKFNSVDWZPALM-WOJBJXKFSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313860571 1071371004 /nfs/dbraw/zinc/37/10/04/1071371004.db2.gz MCOFHTBBDRXQMX-LVCYWYKZSA-N 2 1 467.574 3.668 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313858235 1071358469 /nfs/dbraw/zinc/35/84/69/1071358469.db2.gz AAOCDJUOPIDBNW-ZCNNSNEGSA-N 2 1 455.607 3.504 20 5 JHBDMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306320849 1068750538 /nfs/dbraw/zinc/75/05/38/1068750538.db2.gz XVRFSLQTDZCSPW-PZJWPPBQSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001306320849 1068750545 /nfs/dbraw/zinc/75/05/45/1068750545.db2.gz XVRFSLQTDZCSPW-PZJWPPBQSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001306320849 1068750550 /nfs/dbraw/zinc/75/05/50/1068750550.db2.gz XVRFSLQTDZCSPW-PZJWPPBQSA-N 2 1 455.607 3.648 20 5 JHBDMP O=C(CC1CCCC1)N1CCC[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001308560206 1070389424 /nfs/dbraw/zinc/38/94/24/1070389424.db2.gz GNPVNEXPAOCCFH-UHFFFAOYSA-N 2 1 456.631 3.964 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001313863565 1071382371 /nfs/dbraw/zinc/38/23/71/1071382371.db2.gz WJWOKOKRTXFAFD-UXHICEINSA-N 2 1 499.660 3.662 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001307524852 1070033972 /nfs/dbraw/zinc/03/39/72/1070033972.db2.gz ORPRNWOUHPEHJE-REWPJTCUSA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307524852 1070033986 /nfs/dbraw/zinc/03/39/86/1070033986.db2.gz ORPRNWOUHPEHJE-REWPJTCUSA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001307524852 1070033999 /nfs/dbraw/zinc/03/39/99/1070033999.db2.gz ORPRNWOUHPEHJE-REWPJTCUSA-N 2 1 452.555 3.919 20 5 JHBDMP CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313696428 1070963344 /nfs/dbraw/zinc/96/33/44/1070963344.db2.gz GZFXQDYLGMSVDQ-OYRHEFFESA-N 2 1 499.660 3.663 20 5 JHBDMP C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001314925738 1071368897 /nfs/dbraw/zinc/36/88/97/1071368897.db2.gz ACDUMQFYALQMFY-NRFANRHFSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@H]1C ZINC001313860570 1071370870 /nfs/dbraw/zinc/37/08/70/1071370870.db2.gz MCOFHTBBDRXQMX-LQWHRVPQSA-N 2 1 467.574 3.668 20 5 JHBDMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC001306320848 1068750452 /nfs/dbraw/zinc/75/04/52/1068750452.db2.gz XVRFSLQTDZCSPW-FPOVZHCZSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001306320848 1068750459 /nfs/dbraw/zinc/75/04/59/1068750459.db2.gz XVRFSLQTDZCSPW-FPOVZHCZSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001306320848 1068750467 /nfs/dbraw/zinc/75/04/67/1068750467.db2.gz XVRFSLQTDZCSPW-FPOVZHCZSA-N 2 1 455.607 3.648 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907386 721723721 /nfs/dbraw/zinc/72/37/21/721723721.db2.gz RJNZWMZVAYMEPB-RWKBYAJOSA-N 2 1 458.513 3.655 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907386 721723727 /nfs/dbraw/zinc/72/37/27/721723727.db2.gz RJNZWMZVAYMEPB-RWKBYAJOSA-N 2 1 458.513 3.655 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001307512297 1070027173 /nfs/dbraw/zinc/02/71/73/1070027173.db2.gz BNXYAXIBBRRKMT-VWLOTQADSA-N 2 1 452.555 3.920 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001307512297 1070027187 /nfs/dbraw/zinc/02/71/87/1070027187.db2.gz BNXYAXIBBRRKMT-VWLOTQADSA-N 2 1 452.555 3.920 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001307512297 1070027200 /nfs/dbraw/zinc/02/72/00/1070027200.db2.gz BNXYAXIBBRRKMT-VWLOTQADSA-N 2 1 452.555 3.920 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001313858233 1071359049 /nfs/dbraw/zinc/35/90/49/1071359049.db2.gz AAOCDJUOPIDBNW-AQNXPRMDSA-N 2 1 455.607 3.504 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306407456 1068882083 /nfs/dbraw/zinc/88/20/83/1068882083.db2.gz ZLKLIXPOXVBNEQ-QPPBQGQZSA-N 2 1 499.660 3.519 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306406643 1068877919 /nfs/dbraw/zinc/87/79/19/1068877919.db2.gz MZOPMDOSWCXOSL-GGAORHGYSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406643 1068877926 /nfs/dbraw/zinc/87/79/26/1068877926.db2.gz MZOPMDOSWCXOSL-GGAORHGYSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406643 1068877930 /nfs/dbraw/zinc/87/79/30/1068877930.db2.gz MZOPMDOSWCXOSL-GGAORHGYSA-N 2 1 499.660 3.521 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001307512295 1070027610 /nfs/dbraw/zinc/02/76/10/1070027610.db2.gz BNXYAXIBBRRKMT-RUZDIDTESA-N 2 1 452.555 3.920 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC001307512295 1070027626 /nfs/dbraw/zinc/02/76/26/1070027626.db2.gz BNXYAXIBBRRKMT-RUZDIDTESA-N 2 1 452.555 3.920 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001307512295 1070027640 /nfs/dbraw/zinc/02/76/40/1070027640.db2.gz BNXYAXIBBRRKMT-RUZDIDTESA-N 2 1 452.555 3.920 20 5 JHBDMP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001313658917 1070860392 /nfs/dbraw/zinc/86/03/92/1070860392.db2.gz UKRXNYZFTKEEIA-LJQANCHMSA-N 2 1 483.642 3.967 20 5 JHBDMP CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933582 1071598375 /nfs/dbraw/zinc/59/83/75/1071598375.db2.gz OYISMWYORCEBPA-LJQANCHMSA-N 2 1 455.607 3.506 20 5 JHBDMP CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933582 1071598378 /nfs/dbraw/zinc/59/83/78/1071598378.db2.gz OYISMWYORCEBPA-LJQANCHMSA-N 2 1 455.607 3.506 20 5 JHBDMP CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@H]1C ZINC001313933582 1071598382 /nfs/dbraw/zinc/59/83/82/1071598382.db2.gz OYISMWYORCEBPA-LJQANCHMSA-N 2 1 455.607 3.506 20 5 JHBDMP CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933581 1071598698 /nfs/dbraw/zinc/59/86/98/1071598698.db2.gz OYISMWYORCEBPA-IBGZPJMESA-N 2 1 455.607 3.506 20 5 JHBDMP CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933581 1071598710 /nfs/dbraw/zinc/59/87/10/1071598710.db2.gz OYISMWYORCEBPA-IBGZPJMESA-N 2 1 455.607 3.506 20 5 JHBDMP CC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[N@H+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001313933581 1071598719 /nfs/dbraw/zinc/59/87/19/1071598719.db2.gz OYISMWYORCEBPA-IBGZPJMESA-N 2 1 455.607 3.506 20 5 JHBDMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164681700 719652982 /nfs/dbraw/zinc/65/29/82/719652982.db2.gz QBVKTQJXXKEJKJ-UHFFFAOYSA-N 2 1 491.930 3.985 20 5 JHBDMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccc([N+](=O)[O-])cc3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164681700 719652988 /nfs/dbraw/zinc/65/29/88/719652988.db2.gz QBVKTQJXXKEJKJ-UHFFFAOYSA-N 2 1 491.930 3.985 20 5 JHBDMP CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001313658916 1070860319 /nfs/dbraw/zinc/86/03/19/1070860319.db2.gz UKRXNYZFTKEEIA-IBGZPJMESA-N 2 1 483.642 3.967 20 5 JHBDMP CC[NH+](CC)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC001313698047 1070968920 /nfs/dbraw/zinc/96/89/20/1070968920.db2.gz POEVRFFOBPEBLU-GOSISDBHSA-N 2 1 455.607 3.647 20 5 JHBDMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001306986231 1069694231 /nfs/dbraw/zinc/69/42/31/1069694231.db2.gz DXRUPNVKOUGCFO-UHFFFAOYSA-N 2 1 452.603 3.993 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313860572 1071371341 /nfs/dbraw/zinc/37/13/41/1071371341.db2.gz MCOFHTBBDRXQMX-WFXMLNOXSA-N 2 1 467.574 3.668 20 5 JHBDMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679991 719654040 /nfs/dbraw/zinc/65/40/40/719654040.db2.gz BUSGKNDMBKFYTO-UHFFFAOYSA-N 2 1 491.930 3.985 20 5 JHBDMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(-c3ccccc3[N+](=O)[O-])nnc2Cl)c2c1CC[NH2+]C2 ZINC001164679991 719654046 /nfs/dbraw/zinc/65/40/46/719654046.db2.gz BUSGKNDMBKFYTO-UHFFFAOYSA-N 2 1 491.930 3.985 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839690 720710122 /nfs/dbraw/zinc/71/01/22/720710122.db2.gz MOKNLXKROUVKRI-REBWPMHBSA-N 2 1 451.571 3.782 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839690 720710134 /nfs/dbraw/zinc/71/01/34/720710134.db2.gz MOKNLXKROUVKRI-REBWPMHBSA-N 2 1 451.571 3.782 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907385 721723430 /nfs/dbraw/zinc/72/34/30/721723430.db2.gz RJNZWMZVAYMEPB-MOVYNIQHSA-N 2 1 458.513 3.655 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907385 721723431 /nfs/dbraw/zinc/72/34/31/721723431.db2.gz RJNZWMZVAYMEPB-MOVYNIQHSA-N 2 1 458.513 3.655 20 5 JHBDMP CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306320850 1068750318 /nfs/dbraw/zinc/75/03/18/1068750318.db2.gz XVRFSLQTDZCSPW-TZIWHRDSSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001306320850 1068750327 /nfs/dbraw/zinc/75/03/27/1068750327.db2.gz XVRFSLQTDZCSPW-TZIWHRDSSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001306320850 1068750336 /nfs/dbraw/zinc/75/03/36/1068750336.db2.gz XVRFSLQTDZCSPW-TZIWHRDSSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCC[NH+]2CCCC2)C[C@H]1C ZINC001313935104 1071604836 /nfs/dbraw/zinc/60/48/36/1071604836.db2.gz WLMGZPRDLGUJNE-HXUWFJFHSA-N 2 1 455.607 3.650 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](c2ccco2)[NH+](C)C)C[C@@H]1C ZINC001313860569 1071370751 /nfs/dbraw/zinc/37/07/51/1071370751.db2.gz MCOFHTBBDRXQMX-BBTUJRGHSA-N 2 1 467.574 3.668 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306406644 1068877845 /nfs/dbraw/zinc/87/78/45/1068877845.db2.gz MZOPMDOSWCXOSL-GMAHTHKFSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406644 1068877858 /nfs/dbraw/zinc/87/78/58/1068877858.db2.gz MZOPMDOSWCXOSL-GMAHTHKFSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406644 1068877866 /nfs/dbraw/zinc/87/78/66/1068877866.db2.gz MZOPMDOSWCXOSL-GMAHTHKFSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001313863564 1071382697 /nfs/dbraw/zinc/38/26/97/1071382697.db2.gz WJWOKOKRTXFAFD-PMACEKPBSA-N 2 1 499.660 3.662 20 5 JHBDMP CC[N@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCCC[NH+]2CCCC2)C[C@@H]1C ZINC001313935103 1071604810 /nfs/dbraw/zinc/60/48/10/1071604810.db2.gz WLMGZPRDLGUJNE-FQEVSTJZSA-N 2 1 455.607 3.650 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306406642 1068877995 /nfs/dbraw/zinc/87/79/95/1068877995.db2.gz MZOPMDOSWCXOSL-FYYLOGMGSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406642 1068878002 /nfs/dbraw/zinc/87/80/02/1068878002.db2.gz MZOPMDOSWCXOSL-FYYLOGMGSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406642 1068878011 /nfs/dbraw/zinc/87/80/11/1068878011.db2.gz MZOPMDOSWCXOSL-FYYLOGMGSA-N 2 1 499.660 3.521 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907383 721722616 /nfs/dbraw/zinc/72/26/16/721722616.db2.gz RJNZWMZVAYMEPB-FLVSMNSFSA-N 2 1 458.513 3.655 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907383 721722624 /nfs/dbraw/zinc/72/26/24/721722624.db2.gz RJNZWMZVAYMEPB-FLVSMNSFSA-N 2 1 458.513 3.655 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313858232 1071358000 /nfs/dbraw/zinc/35/80/00/1071358000.db2.gz AAOCDJUOPIDBNW-AABGKKOBSA-N 2 1 455.607 3.504 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839699 720710499 /nfs/dbraw/zinc/71/04/99/720710499.db2.gz MOKNLXKROUVKRI-RYGYDFEPSA-N 2 1 451.571 3.782 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839699 720710501 /nfs/dbraw/zinc/71/05/01/720710501.db2.gz MOKNLXKROUVKRI-RYGYDFEPSA-N 2 1 451.571 3.782 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754197 720909039 /nfs/dbraw/zinc/90/90/39/720909039.db2.gz UGVNHEUEPBWULX-SDEKTXFYSA-N 2 1 492.624 3.672 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-] ZINC001164754197 720909041 /nfs/dbraw/zinc/90/90/41/720909041.db2.gz UGVNHEUEPBWULX-SDEKTXFYSA-N 2 1 492.624 3.672 20 5 JHBDMP CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001313858234 1071358317 /nfs/dbraw/zinc/35/83/17/1071358317.db2.gz AAOCDJUOPIDBNW-UFYCRDLUSA-N 2 1 455.607 3.504 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[NH+](C(C)C)C(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306407458 1068882639 /nfs/dbraw/zinc/88/26/39/1068882639.db2.gz ZLKLIXPOXVBNEQ-XUZZJYLKSA-N 2 1 499.660 3.519 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907384 721722562 /nfs/dbraw/zinc/72/25/62/721722562.db2.gz RJNZWMZVAYMEPB-LPLSSMDUSA-N 2 1 458.513 3.655 20 5 JHBDMP C[NH+](C)/C=C\c1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)ncc1[N+](=O)[O-] ZINC001164907384 721722570 /nfs/dbraw/zinc/72/25/70/721722570.db2.gz RJNZWMZVAYMEPB-LPLSSMDUSA-N 2 1 458.513 3.655 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001307524851 1070033680 /nfs/dbraw/zinc/03/36/80/1070033680.db2.gz ORPRNWOUHPEHJE-OFNKIYASSA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307524851 1070033698 /nfs/dbraw/zinc/03/36/98/1070033698.db2.gz ORPRNWOUHPEHJE-OFNKIYASSA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001307524851 1070033717 /nfs/dbraw/zinc/03/37/17/1070033717.db2.gz ORPRNWOUHPEHJE-OFNKIYASSA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001307524849 1070034061 /nfs/dbraw/zinc/03/40/61/1070034061.db2.gz ORPRNWOUHPEHJE-NFBKMPQASA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307524849 1070034072 /nfs/dbraw/zinc/03/40/72/1070034072.db2.gz ORPRNWOUHPEHJE-NFBKMPQASA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001307524849 1070034084 /nfs/dbraw/zinc/03/40/84/1070034084.db2.gz ORPRNWOUHPEHJE-NFBKMPQASA-N 2 1 452.555 3.919 20 5 JHBDMP CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC001313805571 1071220643 /nfs/dbraw/zinc/22/06/43/1071220643.db2.gz LHTUSOBNTAWSMZ-HXUWFJFHSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC001313805571 1071220650 /nfs/dbraw/zinc/22/06/50/1071220650.db2.gz LHTUSOBNTAWSMZ-HXUWFJFHSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[NH+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC001313805571 1071220655 /nfs/dbraw/zinc/22/06/55/1071220655.db2.gz LHTUSOBNTAWSMZ-HXUWFJFHSA-N 2 1 469.634 3.894 20 5 JHBDMP CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC001306320847 1068750124 /nfs/dbraw/zinc/75/01/24/1068750124.db2.gz XVRFSLQTDZCSPW-CTNGQTDRSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001306320847 1068750134 /nfs/dbraw/zinc/75/01/34/1068750134.db2.gz XVRFSLQTDZCSPW-CTNGQTDRSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@H]1CCCC[NH+]1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001306320847 1068750148 /nfs/dbraw/zinc/75/01/48/1068750148.db2.gz XVRFSLQTDZCSPW-CTNGQTDRSA-N 2 1 455.607 3.648 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[NH+](C)CCCC2(C)C)CC[N@H+]1CCOC ZINC001306406645 1068878134 /nfs/dbraw/zinc/87/81/34/1068878134.db2.gz MZOPMDOSWCXOSL-JTHBVZDNSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406645 1068878143 /nfs/dbraw/zinc/87/81/43/1068878143.db2.gz MZOPMDOSWCXOSL-JTHBVZDNSA-N 2 1 499.660 3.521 20 5 JHBDMP CC[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC[NH+]1CCOC ZINC001306406645 1068878149 /nfs/dbraw/zinc/87/81/49/1068878149.db2.gz MZOPMDOSWCXOSL-JTHBVZDNSA-N 2 1 499.660 3.521 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839686 720709752 /nfs/dbraw/zinc/70/97/52/720709752.db2.gz MOKNLXKROUVKRI-FQTAANOTSA-N 2 1 451.571 3.782 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839686 720709756 /nfs/dbraw/zinc/70/97/56/720709756.db2.gz MOKNLXKROUVKRI-FQTAANOTSA-N 2 1 451.571 3.782 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839695 720709803 /nfs/dbraw/zinc/70/98/03/720709803.db2.gz MOKNLXKROUVKRI-RUCTVCJSSA-N 2 1 451.571 3.782 20 5 JHBDMP C[NH+](C)/C=C/c1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164839695 720709806 /nfs/dbraw/zinc/70/98/06/720709806.db2.gz MOKNLXKROUVKRI-RUCTVCJSSA-N 2 1 451.571 3.782 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC001307524850 1070033397 /nfs/dbraw/zinc/03/33/97/1070033397.db2.gz ORPRNWOUHPEHJE-NZQKXSOJSA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC001307524850 1070033412 /nfs/dbraw/zinc/03/34/12/1070033412.db2.gz ORPRNWOUHPEHJE-NZQKXSOJSA-N 2 1 452.555 3.919 20 5 JHBDMP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC001307524850 1070033424 /nfs/dbraw/zinc/03/34/24/1070033424.db2.gz ORPRNWOUHPEHJE-NZQKXSOJSA-N 2 1 452.555 3.919 20 5 JHBDMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939028 721930798 /nfs/dbraw/zinc/93/07/98/721930798.db2.gz HKOGPECFXQJFEA-DHZHZOJOSA-N 2 1 451.571 3.702 20 5 JHBDMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164939028 721930802 /nfs/dbraw/zinc/93/08/02/721930802.db2.gz HKOGPECFXQJFEA-DHZHZOJOSA-N 2 1 451.571 3.702 20 5 JHBDMP