smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000060241837 558789562 /nfs/dbraw/zinc/78/95/62/558789562.db2.gz CPKVYZACHUIUOH-LJQANCHMSA-N 1 1 408.376 4.093 50 5 HIBAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)[nH+]1 ZINC000015838350 569013650 /nfs/dbraw/zinc/01/36/50/569013650.db2.gz ZCDZZBWOWCXCBO-UHFFFAOYSA-N 1 1 418.457 4.289 50 5 HIBAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc(N2CCCC2)[nH+]1 ZINC000015838350 569013651 /nfs/dbraw/zinc/01/36/51/569013651.db2.gz ZCDZZBWOWCXCBO-UHFFFAOYSA-N 1 1 418.457 4.289 50 5 HIBAMO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000036391310 569166423 /nfs/dbraw/zinc/16/64/23/569166423.db2.gz QRDBDGFGAIBGKO-HXUWFJFHSA-N 1 1 421.522 4.494 50 5 HIBAMO Cc1cccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000036391310 569166424 /nfs/dbraw/zinc/16/64/24/569166424.db2.gz QRDBDGFGAIBGKO-HXUWFJFHSA-N 1 1 421.522 4.494 50 5 HIBAMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000089780796 569264182 /nfs/dbraw/zinc/26/41/82/569264182.db2.gz ZIZOHGDKFBPZPR-LJQANCHMSA-N 1 1 410.301 4.147 50 5 HIBAMO O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000040112618 571170914 /nfs/dbraw/zinc/17/09/14/571170914.db2.gz YSYUILXAYSUXGX-FQEVSTJZSA-N 1 1 407.495 4.186 50 5 HIBAMO O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000040112618 571170916 /nfs/dbraw/zinc/17/09/16/571170916.db2.gz YSYUILXAYSUXGX-FQEVSTJZSA-N 1 1 407.495 4.186 50 5 HIBAMO CC[N@H+](CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1)Cc1ccccc1 ZINC000009608912 571273412 /nfs/dbraw/zinc/27/34/12/571273412.db2.gz SMGQJUQKBLHYFQ-UHFFFAOYSA-N 1 1 401.466 4.110 50 5 HIBAMO CC[N@@H+](CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1)Cc1ccccc1 ZINC000009608912 571273413 /nfs/dbraw/zinc/27/34/13/571273413.db2.gz SMGQJUQKBLHYFQ-UHFFFAOYSA-N 1 1 401.466 4.110 50 5 HIBAMO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022907848 568416006 /nfs/dbraw/zinc/41/60/06/568416006.db2.gz BOYLHIUJXOOFKN-OAQYLSRUSA-N 1 1 421.522 4.494 50 5 HIBAMO Cc1ccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022907848 568416007 /nfs/dbraw/zinc/41/60/07/568416007.db2.gz BOYLHIUJXOOFKN-OAQYLSRUSA-N 1 1 421.522 4.494 50 5 HIBAMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000036347680 569144315 /nfs/dbraw/zinc/14/43/15/569144315.db2.gz PTXCSZLAZZUAJU-HSZRJFAPSA-N 1 1 407.470 4.409 50 5 HIBAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000036347680 569144316 /nfs/dbraw/zinc/14/43/16/569144316.db2.gz PTXCSZLAZZUAJU-HSZRJFAPSA-N 1 1 407.470 4.409 50 5 HIBAMO C[N@H+](Cc1cccnc1)C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000065562909 569234176 /nfs/dbraw/zinc/23/41/76/569234176.db2.gz GRZMBALESWLCOS-INIZCTEOSA-N 1 1 408.424 4.357 50 5 HIBAMO O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000040112615 571170932 /nfs/dbraw/zinc/17/09/32/571170932.db2.gz YSYUILXAYSUXGX-HXUWFJFHSA-N 1 1 407.495 4.186 50 5 HIBAMO O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000040112615 571170934 /nfs/dbraw/zinc/17/09/34/571170934.db2.gz YSYUILXAYSUXGX-HXUWFJFHSA-N 1 1 407.495 4.186 50 5 HIBAMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889303 568831034 /nfs/dbraw/zinc/83/10/34/568831034.db2.gz BGDZLQHMXJHBNX-RDJZCZTQSA-N 1 1 421.457 4.057 50 5 HIBAMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000058139264 568889986 /nfs/dbraw/zinc/88/99/86/568889986.db2.gz CKPISKCWYAQEHF-OAHLLOKOSA-N 1 1 417.556 4.263 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000012784558 568959367 /nfs/dbraw/zinc/95/93/67/568959367.db2.gz LOTBMMVLMBKPMK-HXUWFJFHSA-N 1 1 413.474 4.168 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000012784558 568959369 /nfs/dbraw/zinc/95/93/69/568959369.db2.gz LOTBMMVLMBKPMK-HXUWFJFHSA-N 1 1 413.474 4.168 50 5 HIBAMO O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000054992062 569374525 /nfs/dbraw/zinc/37/45/25/569374525.db2.gz GOLOTJHAPIHBRK-QHCPKHFHSA-N 1 1 421.541 4.288 50 5 HIBAMO O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000054992060 569374567 /nfs/dbraw/zinc/37/45/67/569374567.db2.gz GOLOTJHAPIHBRK-HSZRJFAPSA-N 1 1 421.541 4.288 50 5 HIBAMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021540057 568712992 /nfs/dbraw/zinc/71/29/92/568712992.db2.gz MYECYKCCFRWTFX-UHFFFAOYSA-N 1 1 415.493 4.071 50 5 HIBAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000012938528 569028039 /nfs/dbraw/zinc/02/80/39/569028039.db2.gz AGSGZWHQVODXDN-TXEJJXNPSA-N 1 1 408.911 4.435 50 5 HIBAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000012938528 569028040 /nfs/dbraw/zinc/02/80/40/569028040.db2.gz AGSGZWHQVODXDN-TXEJJXNPSA-N 1 1 408.911 4.435 50 5 HIBAMO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCN(c2ccc(F)cc2)CC1 ZINC000089364874 569058695 /nfs/dbraw/zinc/05/86/95/569058695.db2.gz YXZUNVWOJWBCPJ-UHFFFAOYSA-N 1 1 410.449 4.490 50 5 HIBAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3c(C)c(C)ccc3[N+](=O)[O-])ccc2c1 ZINC000012982996 569405674 /nfs/dbraw/zinc/40/56/74/569405674.db2.gz GLOFYUTXTMBSCL-UHFFFAOYSA-N 1 1 407.470 4.444 50 5 HIBAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3c(C)c(C)ccc3[N+](=O)[O-])ccc2c1 ZINC000012982996 569405676 /nfs/dbraw/zinc/40/56/76/569405676.db2.gz GLOFYUTXTMBSCL-UHFFFAOYSA-N 1 1 407.470 4.444 50 5 HIBAMO Cc1ccc(OCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000013039976 569407802 /nfs/dbraw/zinc/40/78/02/569407802.db2.gz CHIRRCJARNIPRB-UHFFFAOYSA-N 1 1 409.408 4.123 50 5 HIBAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000078797187 560540827 /nfs/dbraw/zinc/54/08/27/560540827.db2.gz OEWGRXLGMYEEMY-UHFFFAOYSA-N 1 1 418.519 4.207 50 5 HIBAMO CC[NH+]1CCN(C(=O)c2ccc(Sc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 ZINC000003020207 568838945 /nfs/dbraw/zinc/83/89/45/568838945.db2.gz XCKGDPPHGJWQQK-UHFFFAOYSA-N 1 1 405.907 4.177 50 5 HIBAMO Cc1c(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cccc1[N+](=O)[O-] ZINC000012857282 569011168 /nfs/dbraw/zinc/01/11/68/569011168.db2.gz UHEACJUPEPYECE-UHFFFAOYSA-N 1 1 411.458 4.015 50 5 HIBAMO O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000016185160 569029627 /nfs/dbraw/zinc/02/96/27/569029627.db2.gz RUPXVOYRWMVWOM-FQEVSTJZSA-N 1 1 420.494 4.069 50 5 HIBAMO O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000016185160 569029628 /nfs/dbraw/zinc/02/96/28/569029628.db2.gz RUPXVOYRWMVWOM-FQEVSTJZSA-N 1 1 420.494 4.069 50 5 HIBAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000008606706 571092305 /nfs/dbraw/zinc/09/23/05/571092305.db2.gz ONPOPEWXBCFDHK-UHFFFAOYSA-N 1 1 407.474 4.203 50 5 HIBAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1)C(C)C ZINC000245326962 571225104 /nfs/dbraw/zinc/22/51/04/571225104.db2.gz HJKJCNCGDWNMTI-UNMCSNQZSA-N 1 1 413.493 4.206 50 5 HIBAMO COc1ccc([N+](=O)[O-])cc1NC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000004749436 559043698 /nfs/dbraw/zinc/04/36/98/559043698.db2.gz BXSMGROAQRKZBC-UHFFFAOYSA-N 1 1 420.307 4.442 50 5 HIBAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccc(F)cc1)C(C)C ZINC000105049961 560860791 /nfs/dbraw/zinc/86/07/91/560860791.db2.gz HJKJCNCGDWNMTI-IRLDBZIGSA-N 1 1 413.493 4.206 50 5 HIBAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)[nH+]1 ZINC000015838354 569013700 /nfs/dbraw/zinc/01/37/00/569013700.db2.gz AZWPZUBOYJIQMC-UHFFFAOYSA-N 1 1 418.457 4.289 50 5 HIBAMO Cc1nc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000015838354 569013701 /nfs/dbraw/zinc/01/37/01/569013701.db2.gz AZWPZUBOYJIQMC-UHFFFAOYSA-N 1 1 418.457 4.289 50 5 HIBAMO COc1ccc2cc(C[N@@H+](C)CCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])ccc2c1 ZINC000026259812 569030758 /nfs/dbraw/zinc/03/07/58/569030758.db2.gz FWJVUVOARJEYTL-UHFFFAOYSA-N 1 1 423.469 4.226 50 5 HIBAMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034889304 568830929 /nfs/dbraw/zinc/83/09/29/568830929.db2.gz BGDZLQHMXJHBNX-WBVHZDCISA-N 1 1 421.457 4.057 50 5 HIBAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000020893249 568648350 /nfs/dbraw/zinc/64/83/50/568648350.db2.gz OFDIHDNLNNNDJB-UHFFFAOYSA-N 1 1 418.457 4.160 50 5 HIBAMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000013322869 569254936 /nfs/dbraw/zinc/25/49/36/569254936.db2.gz NAWZFGKUEKGFAL-UHFFFAOYSA-N 1 1 412.490 4.077 50 5 HIBAMO CCOc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000008685006 571101561 /nfs/dbraw/zinc/10/15/61/571101561.db2.gz NSDHFKSOTNRSEI-CYBMUJFWSA-N 1 1 421.881 4.115 50 5 HIBAMO CCOc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000008685006 571101563 /nfs/dbraw/zinc/10/15/63/571101563.db2.gz NSDHFKSOTNRSEI-CYBMUJFWSA-N 1 1 421.881 4.115 50 5 HIBAMO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000011183142 558930209 /nfs/dbraw/zinc/93/02/09/558930209.db2.gz CDYGIIRYEIRXQY-UHFFFAOYSA-N 1 1 405.458 4.085 50 5 HIBAMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000010225050 571297288 /nfs/dbraw/zinc/29/72/88/571297288.db2.gz XJAQEJKIJDIRIH-OAHLLOKOSA-N 1 1 422.485 4.291 50 5 HIBAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)[nH+]1 ZINC000015838352 569013676 /nfs/dbraw/zinc/01/36/76/569013676.db2.gz YVDSBNQHPQEFFL-UHFFFAOYSA-N 1 1 418.457 4.289 50 5 HIBAMO Cc1nc(Nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc(N2CCCC2)[nH+]1 ZINC000015838352 569013677 /nfs/dbraw/zinc/01/36/77/569013677.db2.gz YVDSBNQHPQEFFL-UHFFFAOYSA-N 1 1 418.457 4.289 50 5 HIBAMO C[N@@H+](Cc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000036395020 569168638 /nfs/dbraw/zinc/16/86/38/569168638.db2.gz NYRSNBXDZRQOFH-UHFFFAOYSA-N 1 1 407.474 4.488 50 5 HIBAMO O=C(NCC(F)(F)F)c1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000037170568 569239377 /nfs/dbraw/zinc/23/93/77/569239377.db2.gz XMFPHQCEULKVSM-UHFFFAOYSA-N 1 1 407.392 4.052 50 5 HIBAMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000058139258 568889917 /nfs/dbraw/zinc/88/99/17/568889917.db2.gz CKPISKCWYAQEHF-HNNXBMFYSA-N 1 1 417.556 4.263 50 5 HIBAMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003396954 568895487 /nfs/dbraw/zinc/89/54/87/568895487.db2.gz KHOYEDUIIJMCRF-NSHDSACASA-N 1 1 413.808 4.309 50 5 HIBAMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003396954 568895489 /nfs/dbraw/zinc/89/54/89/568895489.db2.gz KHOYEDUIIJMCRF-NSHDSACASA-N 1 1 413.808 4.309 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000012999188 569406321 /nfs/dbraw/zinc/40/63/21/569406321.db2.gz QYPRNJORPZXCAO-LJQANCHMSA-N 1 1 401.438 4.298 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000012999188 569406323 /nfs/dbraw/zinc/40/63/23/569406323.db2.gz QYPRNJORPZXCAO-LJQANCHMSA-N 1 1 401.438 4.298 50 5 HIBAMO COc1ccc(C)cc1C[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000057364776 568829270 /nfs/dbraw/zinc/82/92/70/568829270.db2.gz RVYCTDUVCRYRMQ-UHFFFAOYSA-N 1 1 409.408 4.253 50 5 HIBAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000003336405 568882849 /nfs/dbraw/zinc/88/28/49/568882849.db2.gz WKUPGJXYMSVFMK-SFHVURJKSA-N 1 1 411.483 4.372 50 5 HIBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000012762398 568946727 /nfs/dbraw/zinc/94/67/27/568946727.db2.gz FFDPVYMMSNXIHG-FQEVSTJZSA-N 1 1 413.474 4.168 50 5 HIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000012762398 568946730 /nfs/dbraw/zinc/94/67/30/568946730.db2.gz FFDPVYMMSNXIHG-FQEVSTJZSA-N 1 1 413.474 4.168 50 5 HIBAMO Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000019850188 569431030 /nfs/dbraw/zinc/43/10/30/569431030.db2.gz UFHSVLNSUXQEGR-UHFFFAOYSA-N 1 1 415.493 4.451 50 5 HIBAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000008606705 571092252 /nfs/dbraw/zinc/09/22/52/571092252.db2.gz ASUIBRSKLKXWEL-UHFFFAOYSA-N 1 1 407.474 4.203 50 5 HIBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000012784553 568959473 /nfs/dbraw/zinc/95/94/73/568959473.db2.gz LOTBMMVLMBKPMK-FQEVSTJZSA-N 1 1 413.474 4.168 50 5 HIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000012784553 568959474 /nfs/dbraw/zinc/95/94/74/568959474.db2.gz LOTBMMVLMBKPMK-FQEVSTJZSA-N 1 1 413.474 4.168 50 5 HIBAMO COc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000036347681 569144128 /nfs/dbraw/zinc/14/41/28/569144128.db2.gz PTXCSZLAZZUAJU-QHCPKHFHSA-N 1 1 407.470 4.409 50 5 HIBAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000036347681 569144129 /nfs/dbraw/zinc/14/41/29/569144129.db2.gz PTXCSZLAZZUAJU-QHCPKHFHSA-N 1 1 407.470 4.409 50 5 HIBAMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052505 560895084 /nfs/dbraw/zinc/89/50/84/560895084.db2.gz DYEURHSIDPBILV-RBUKOAKNSA-N 1 1 403.523 4.292 50 5 HIBAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000020893243 568648339 /nfs/dbraw/zinc/64/83/39/568648339.db2.gz BOMUSKWFJZTBIE-UHFFFAOYSA-N 1 1 418.457 4.160 50 5 HIBAMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccccc1Cl ZINC000015103538 568755954 /nfs/dbraw/zinc/75/59/54/568755954.db2.gz XKPSCNDOBPOXPN-ZDUSSCGKSA-N 1 1 402.838 4.370 50 5 HIBAMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccccc1Cl ZINC000015103538 568755956 /nfs/dbraw/zinc/75/59/56/568755956.db2.gz XKPSCNDOBPOXPN-ZDUSSCGKSA-N 1 1 402.838 4.370 50 5 HIBAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1)C(C)C ZINC000034740704 568824928 /nfs/dbraw/zinc/82/49/28/568824928.db2.gz HJKJCNCGDWNMTI-RBBKRZOGSA-N 1 1 413.493 4.206 50 5 HIBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004311369 568960904 /nfs/dbraw/zinc/96/09/04/568960904.db2.gz HQTSRCLUXKOYLF-GOSISDBHSA-N 1 1 410.455 4.333 50 5 HIBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004311369 568960905 /nfs/dbraw/zinc/96/09/05/568960905.db2.gz HQTSRCLUXKOYLF-GOSISDBHSA-N 1 1 410.455 4.333 50 5 HIBAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000020893246 568648374 /nfs/dbraw/zinc/64/83/74/568648374.db2.gz QSOHRHQNKVXIBA-UHFFFAOYSA-N 1 1 418.457 4.160 50 5 HIBAMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(Oc2ccc(OC)cc2)nc1 ZINC000058138856 568890584 /nfs/dbraw/zinc/89/05/84/568890584.db2.gz KPQGPDYZVKNRII-UHFFFAOYSA-N 1 1 409.442 4.479 50 5 HIBAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000058952377 568934478 /nfs/dbraw/zinc/93/44/78/568934478.db2.gz KIXQXHYBFGUNGV-OAHLLOKOSA-N 1 1 401.894 4.410 50 5 HIBAMO Cc1c[nH+]cn1CCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000089702460 569262802 /nfs/dbraw/zinc/26/28/02/569262802.db2.gz HATXIGINPGJQQE-UHFFFAOYSA-N 1 1 414.849 4.366 50 5 HIBAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022907797 568416094 /nfs/dbraw/zinc/41/60/94/568416094.db2.gz ZJFZQCNNUDERGU-HXUWFJFHSA-N 1 1 407.495 4.186 50 5 HIBAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022907797 568416096 /nfs/dbraw/zinc/41/60/96/568416096.db2.gz ZJFZQCNNUDERGU-HXUWFJFHSA-N 1 1 407.495 4.186 50 5 HIBAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022907800 568416100 /nfs/dbraw/zinc/41/61/00/568416100.db2.gz ZJFZQCNNUDERGU-FQEVSTJZSA-N 1 1 407.495 4.186 50 5 HIBAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000022907800 568416102 /nfs/dbraw/zinc/41/61/02/568416102.db2.gz ZJFZQCNNUDERGU-FQEVSTJZSA-N 1 1 407.495 4.186 50 5 HIBAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)C2CCCCC2)CC1 ZINC000096276872 568715605 /nfs/dbraw/zinc/71/56/05/568715605.db2.gz AJHLTAXRGYWVFM-IBGZPJMESA-N 1 1 412.534 4.294 50 5 HIBAMO COc1cccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000034675656 568725861 /nfs/dbraw/zinc/72/58/61/568725861.db2.gz HGYUNHJPYPRHEC-UHFFFAOYSA-N 1 1 411.502 4.257 50 5 HIBAMO C[NH+](C)[C@H](CNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000003336406 568882844 /nfs/dbraw/zinc/88/28/44/568882844.db2.gz WKUPGJXYMSVFMK-GOSISDBHSA-N 1 1 411.483 4.372 50 5 HIBAMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000009869664 569251203 /nfs/dbraw/zinc/25/12/03/569251203.db2.gz DNISEWXQTVRURY-UHFFFAOYSA-N 1 1 424.379 4.234 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000012937351 569027854 /nfs/dbraw/zinc/02/78/54/569027854.db2.gz HLNNZFCNYIYOFG-HXUWFJFHSA-N 1 1 413.474 4.168 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000012937351 569027855 /nfs/dbraw/zinc/02/78/55/569027855.db2.gz HLNNZFCNYIYOFG-HXUWFJFHSA-N 1 1 413.474 4.168 50 5 HIBAMO O=[N+]([O-])c1cc(C[NH+]2CCC(c3nc4ccccc4s3)CC2)c2c(c1)COCO2 ZINC000016685070 569070222 /nfs/dbraw/zinc/07/02/22/569070222.db2.gz SQOZSYCCDJHVOK-UHFFFAOYSA-N 1 1 411.483 4.451 50 5 HIBAMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019893047 569433122 /nfs/dbraw/zinc/43/31/22/569433122.db2.gz ISFLJCWNGXMJQO-UHFFFAOYSA-N 1 1 401.466 4.142 50 5 HIBAMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305217 558757834 /nfs/dbraw/zinc/75/78/34/558757834.db2.gz JEHRELIPSACZLL-NRFANRHFSA-N 1 1 411.502 4.194 50 5 HIBAMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCN(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000089780797 569264191 /nfs/dbraw/zinc/26/41/91/569264191.db2.gz ZIZOHGDKFBPZPR-IBGZPJMESA-N 1 1 410.301 4.147 50 5 HIBAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 ZINC000009851615 132343656 /nfs/dbraw/zinc/34/36/56/132343656.db2.gz GTIIOSAWUDEXSU-UHFFFAOYSA-N 1 1 423.300 4.296 50 5 HIBAMO O=C(OCc1ccc([N+](=O)[O-])cc1)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000060241838 558789405 /nfs/dbraw/zinc/78/94/05/558789405.db2.gz CPKVYZACHUIUOH-IBGZPJMESA-N 1 1 408.376 4.093 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000012762404 568946647 /nfs/dbraw/zinc/94/66/47/568946647.db2.gz FFDPVYMMSNXIHG-HXUWFJFHSA-N 1 1 413.474 4.168 50 5 HIBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000012762404 568946650 /nfs/dbraw/zinc/94/66/50/568946650.db2.gz FFDPVYMMSNXIHG-HXUWFJFHSA-N 1 1 413.474 4.168 50 5 HIBAMO C[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000015643455 568957367 /nfs/dbraw/zinc/95/73/67/568957367.db2.gz VPMGJJBFPKCLFG-UHFFFAOYSA-N 1 1 416.481 4.266 50 5 HIBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012896874 569020334 /nfs/dbraw/zinc/02/03/34/569020334.db2.gz CFAAWFPDCOWMBD-UHFFFAOYSA-N 1 1 411.458 4.015 50 5 HIBAMO CCOc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000036347785 569144158 /nfs/dbraw/zinc/14/41/58/569144158.db2.gz SYJAFFKGHVIODX-QHCPKHFHSA-N 1 1 407.470 4.496 50 5 HIBAMO CCOc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000036347785 569144160 /nfs/dbraw/zinc/14/41/60/569144160.db2.gz SYJAFFKGHVIODX-QHCPKHFHSA-N 1 1 407.470 4.496 50 5 HIBAMO CCOc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000036347786 569144305 /nfs/dbraw/zinc/14/43/05/569144305.db2.gz SYJAFFKGHVIODX-HSZRJFAPSA-N 1 1 407.470 4.496 50 5 HIBAMO CCOc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000036347786 569144306 /nfs/dbraw/zinc/14/43/06/569144306.db2.gz SYJAFFKGHVIODX-HSZRJFAPSA-N 1 1 407.470 4.496 50 5 HIBAMO O=C([C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000054991814 569374519 /nfs/dbraw/zinc/37/45/19/569374519.db2.gz RRNFHZCXJJIUDR-QHCPKHFHSA-N 1 1 421.541 4.288 50 5 HIBAMO O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000022633527 557269361 /nfs/dbraw/zinc/26/93/61/557269361.db2.gz WDCOULCZNMYDQR-HXUWFJFHSA-N 1 1 420.494 4.069 50 5 HIBAMO O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000022633527 557269367 /nfs/dbraw/zinc/26/93/67/557269367.db2.gz WDCOULCZNMYDQR-HXUWFJFHSA-N 1 1 420.494 4.069 50 5 HIBAMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072305218 558757789 /nfs/dbraw/zinc/75/77/89/558757789.db2.gz JEHRELIPSACZLL-OAQYLSRUSA-N 1 1 411.502 4.194 50 5 HIBAMO CC1(C)Cc2cccc(OC3CC[NH+](Cn4ncc5cc([N+](=O)[O-])ccc54)CC3)c2O1 ZINC000048273887 568434025 /nfs/dbraw/zinc/43/40/25/568434025.db2.gz DJPMQBCLUBOBMI-UHFFFAOYSA-N 1 1 422.485 4.159 50 5 HIBAMO Cc1ccc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c([N+](=O)[O-])c1 ZINC000027574100 569374533 /nfs/dbraw/zinc/37/45/33/569374533.db2.gz MRAYOMZZJBHZQY-UHFFFAOYSA-N 1 1 411.458 4.015 50 5 HIBAMO O=C([C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745110 559043682 /nfs/dbraw/zinc/04/36/82/559043682.db2.gz OPUDMRFWVMNBFT-HSZRJFAPSA-N 1 1 421.541 4.288 50 5 HIBAMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)N1CCC(Cc2ccccc2)CC1 ZINC000054991813 569374528 /nfs/dbraw/zinc/37/45/28/569374528.db2.gz RRNFHZCXJJIUDR-HSZRJFAPSA-N 1 1 421.541 4.288 50 5 HIBAMO O=C([C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745115 559043604 /nfs/dbraw/zinc/04/36/04/559043604.db2.gz OPUDMRFWVMNBFT-QHCPKHFHSA-N 1 1 421.541 4.288 50 5 HIBAMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052509 560895056 /nfs/dbraw/zinc/89/50/56/560895056.db2.gz DYEURHSIDPBILV-RTBURBONSA-N 1 1 403.523 4.292 50 5 HIBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020270828 568596374 /nfs/dbraw/zinc/59/63/74/568596374.db2.gz PYJOMZMPXAGQDR-UHFFFAOYSA-N 1 1 417.465 4.414 50 5 HIBAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004311368 568960882 /nfs/dbraw/zinc/96/08/82/568960882.db2.gz HQTSRCLUXKOYLF-SFHVURJKSA-N 1 1 410.455 4.333 50 5 HIBAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000004311368 568960883 /nfs/dbraw/zinc/96/08/83/568960883.db2.gz HQTSRCLUXKOYLF-SFHVURJKSA-N 1 1 410.455 4.333 50 5 HIBAMO 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O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004247 568657383 /nfs/dbraw/zinc/65/73/83/568657383.db2.gz OSAQVJHRBKLFIE-UHFFFAOYSA-N 1 1 401.466 4.142 50 5 HIBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 ZINC000055292310 569398945 /nfs/dbraw/zinc/39/89/45/569398945.db2.gz INGDLTQFIFHEOG-UHFFFAOYSA-N 1 1 403.482 4.496 50 5 HIBAMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C12CCCC2 ZINC000078869636 569420977 /nfs/dbraw/zinc/42/09/77/569420977.db2.gz DYEURHSIDPBILV-OALUTQOASA-N 1 1 403.523 4.292 50 5 HIBAMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000032853359 526184395 /nfs/dbraw/zinc/18/43/95/526184395.db2.gz BGDZLQHMXJHBNX-DOTOQJQBSA-N 1 1 421.457 4.057 50 5 HIBAMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000095444949 568611662 /nfs/dbraw/zinc/61/16/62/568611662.db2.gz KXBOJXQTIRJFRT-KRWDZBQOSA-N 1 1 406.442 4.101 50 5 HIBAMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000095444949 568611665 /nfs/dbraw/zinc/61/16/65/568611665.db2.gz KXBOJXQTIRJFRT-KRWDZBQOSA-N 1 1 406.442 4.101 50 5 HIBAMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)CCOc1ccccc1Cl ZINC000015103537 568756011 /nfs/dbraw/zinc/75/60/11/568756011.db2.gz XKPSCNDOBPOXPN-CYBMUJFWSA-N 1 1 402.838 4.370 50 5 HIBAMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCOc1ccccc1Cl ZINC000015103537 568756012 /nfs/dbraw/zinc/75/60/12/568756012.db2.gz XKPSCNDOBPOXPN-CYBMUJFWSA-N 1 1 402.838 4.370 50 5 HIBAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000058952378 568934723 /nfs/dbraw/zinc/93/47/23/568934723.db2.gz KIXQXHYBFGUNGV-HNNXBMFYSA-N 1 1 401.894 4.410 50 5 HIBAMO O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000022633537 557269441 /nfs/dbraw/zinc/26/94/41/557269441.db2.gz RUPXVOYRWMVWOM-HXUWFJFHSA-N 1 1 420.494 4.069 50 5 HIBAMO O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000022633537 557269447 /nfs/dbraw/zinc/26/94/47/557269447.db2.gz RUPXVOYRWMVWOM-HXUWFJFHSA-N 1 1 420.494 4.069 50 5 HIBAMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003396958 568895430 /nfs/dbraw/zinc/89/54/30/568895430.db2.gz KHOYEDUIIJMCRF-LLVKDONJSA-N 1 1 413.808 4.309 50 5 HIBAMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003396958 568895433 /nfs/dbraw/zinc/89/54/33/568895433.db2.gz KHOYEDUIIJMCRF-LLVKDONJSA-N 1 1 413.808 4.309 50 5 HIBAMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)c2c(c1)COCO2 ZINC000016694779 569070519 /nfs/dbraw/zinc/07/05/19/569070519.db2.gz RONPELDAQNBWSE-CQSZACIVSA-N 1 1 411.483 4.451 50 5 HIBAMO C[N@H+](Cc1cccnc1)C[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000065562911 569234189 /nfs/dbraw/zinc/23/41/89/569234189.db2.gz GRZMBALESWLCOS-MRXNPFEDSA-N 1 1 408.424 4.357 50 5 HIBAMO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000008685005 571101615 /nfs/dbraw/zinc/10/16/15/571101615.db2.gz NSDHFKSOTNRSEI-ZDUSSCGKSA-N 1 1 421.881 4.115 50 5 HIBAMO CCOc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000008685005 571101618 /nfs/dbraw/zinc/10/16/18/571101618.db2.gz NSDHFKSOTNRSEI-ZDUSSCGKSA-N 1 1 421.881 4.115 50 5 HIBAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000095444948 568611564 /nfs/dbraw/zinc/61/15/64/568611564.db2.gz KXBOJXQTIRJFRT-QGZVFWFLSA-N 1 1 406.442 4.101 50 5 HIBAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000095444948 568611566 /nfs/dbraw/zinc/61/15/66/568611566.db2.gz KXBOJXQTIRJFRT-QGZVFWFLSA-N 1 1 406.442 4.101 50 5 HIBAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1)C(C)C ZINC000034740705 568824886 /nfs/dbraw/zinc/82/48/86/568824886.db2.gz HJKJCNCGDWNMTI-IFMALSPDSA-N 1 1 413.493 4.206 50 5 HIBAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000008606707 571092380 /nfs/dbraw/zinc/09/23/80/571092380.db2.gz KOEOTFDKHGBWIL-UHFFFAOYSA-N 1 1 407.474 4.203 50 5 HIBAMO O=C1N[C@@H](c2ccccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008721981 571107204 /nfs/dbraw/zinc/10/72/04/571107204.db2.gz GFBZMNYZSPNYEK-HXUWFJFHSA-N 1 1 420.494 4.069 50 5 HIBAMO O=C1N[C@@H](c2ccccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008721981 571107208 /nfs/dbraw/zinc/10/72/08/571107208.db2.gz GFBZMNYZSPNYEK-HXUWFJFHSA-N 1 1 420.494 4.069 50 5 HIBAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)C2CCCCC2)CC1 ZINC000096276871 568715568 /nfs/dbraw/zinc/71/55/68/568715568.db2.gz AJHLTAXRGYWVFM-LJQANCHMSA-N 1 1 412.534 4.294 50 5 HIBAMO O=C(c1ccccc1)c1ccc(NC2CC[NH+](Cc3cccnc3)CC2)c([N+](=O)[O-])c1 ZINC000225647797 568777909 /nfs/dbraw/zinc/77/79/09/568777909.db2.gz HOVFBTQHDGMSSF-UHFFFAOYSA-N 1 1 416.481 4.297 50 5 HIBAMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030520151 568869026 /nfs/dbraw/zinc/86/90/26/568869026.db2.gz NVIATMQIGQSFHC-UHFFFAOYSA-N 1 1 417.922 4.032 50 5 HIBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000012937344 569027862 /nfs/dbraw/zinc/02/78/62/569027862.db2.gz HLNNZFCNYIYOFG-FQEVSTJZSA-N 1 1 413.474 4.168 50 5 HIBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000012937344 569027863 /nfs/dbraw/zinc/02/78/63/569027863.db2.gz HLNNZFCNYIYOFG-FQEVSTJZSA-N 1 1 413.474 4.168 50 5 HIBAMO CSc1ccc(C[N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000009491316 571262790 /nfs/dbraw/zinc/26/27/90/571262790.db2.gz XNRLTLPXNJNVEK-UHFFFAOYSA-N 1 1 424.320 4.150 50 5 HIBAMO CSc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000009491316 571262791 /nfs/dbraw/zinc/26/27/91/571262791.db2.gz XNRLTLPXNJNVEK-UHFFFAOYSA-N 1 1 424.320 4.150 50 5 HIBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139956 571295417 /nfs/dbraw/zinc/29/54/17/571295417.db2.gz KINDXBAWWFNJKS-HNNXBMFYSA-N 1 1 422.485 4.291 50 5 HIBAMO Cc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000019759080 569018473 /nfs/dbraw/zinc/01/84/73/569018473.db2.gz FJZPDGSOVGNVJO-UHFFFAOYSA-N 1 1 415.493 4.451 50 5 in-vitro HIBAMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)c2c(c1)COCO2 ZINC000016694780 569070489 /nfs/dbraw/zinc/07/04/89/569070489.db2.gz RONPELDAQNBWSE-AWEZNQCLSA-N 1 1 411.483 4.451 50 5 HIBAMO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000036391309 569166413 /nfs/dbraw/zinc/16/64/13/569166413.db2.gz QRDBDGFGAIBGKO-FQEVSTJZSA-N 1 1 421.522 4.494 50 5 HIBAMO Cc1cccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000036391309 569166414 /nfs/dbraw/zinc/16/64/14/569166414.db2.gz QRDBDGFGAIBGKO-FQEVSTJZSA-N 1 1 421.522 4.494 50 5 HIBAMO O=C(c1cccc([N+](=O)[O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019879968 569432981 /nfs/dbraw/zinc/43/29/81/569432981.db2.gz NDGRAIZFVKUQSJ-UHFFFAOYSA-N 1 1 401.466 4.142 50 5 HIBAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000012938534 569028008 /nfs/dbraw/zinc/02/80/08/569028008.db2.gz AGSGZWHQVODXDN-RYUDHWBXSA-N 1 1 408.911 4.435 50 5 HIBAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)C1 ZINC000012938516 569028011 /nfs/dbraw/zinc/02/80/11/569028011.db2.gz AGSGZWHQVODXDN-VXGBXAGGSA-N 1 1 408.911 4.435 50 5 HIBAMO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000078869634 569420884 /nfs/dbraw/zinc/42/08/84/569420884.db2.gz DYEURHSIDPBILV-MOPGFXCFSA-N 1 1 403.523 4.292 50 5 HIBAMO Cc1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000019759135 569429490 /nfs/dbraw/zinc/42/94/90/569429490.db2.gz ILSGLDGCKFZOHZ-UHFFFAOYSA-N 1 1 415.493 4.451 50 5 HIBAMO O=C1N[C@H](c2ccccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008721980 571107168 /nfs/dbraw/zinc/10/71/68/571107168.db2.gz GFBZMNYZSPNYEK-FQEVSTJZSA-N 1 1 420.494 4.069 50 5 HIBAMO O=C1N[C@H](c2ccccc2[N+](=O)[O-])Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008721980 571107171 /nfs/dbraw/zinc/10/71/71/571107171.db2.gz GFBZMNYZSPNYEK-FQEVSTJZSA-N 1 1 420.494 4.069 50 5 HIBAMO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022907851 557850694 /nfs/dbraw/zinc/85/06/94/557850694.db2.gz BOYLHIUJXOOFKN-NRFANRHFSA-N 1 1 421.522 4.494 50 5 HIBAMO Cc1ccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000022907851 557850698 /nfs/dbraw/zinc/85/06/98/557850698.db2.gz BOYLHIUJXOOFKN-NRFANRHFSA-N 1 1 421.522 4.494 50 5 HIBAMO CC[N@@H+](CCC1CCN(c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000095458051 568618726 /nfs/dbraw/zinc/61/87/26/568618726.db2.gz VYPCXEMSSOFIIZ-UHFFFAOYSA-N 1 1 416.566 4.071 50 5 HIBAMO C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(Br)cc1 ZINC000007975638 568960157 /nfs/dbraw/zinc/96/01/57/568960157.db2.gz XWIXUWMHVKMJSN-UHFFFAOYSA-N 1 1 412.671 4.081 50 5 HIBAMO C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)Cc1ccc(Br)cc1 ZINC000007975638 568960158 /nfs/dbraw/zinc/96/01/58/568960158.db2.gz XWIXUWMHVKMJSN-UHFFFAOYSA-N 1 1 412.671 4.081 50 5 HIBAMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019606441 569425032 /nfs/dbraw/zinc/42/50/32/569425032.db2.gz SQEBFZZDTVBJMB-UHFFFAOYSA-N 1 1 418.453 4.415 50 5 HIBAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000040119608 571175746 /nfs/dbraw/zinc/17/57/46/571175746.db2.gz DELZMTWELDNPHX-OAHLLOKOSA-N 1 1 403.504 4.116 50 5 HIBAMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139959 571295435 /nfs/dbraw/zinc/29/54/35/571295435.db2.gz KINDXBAWWFNJKS-OAHLLOKOSA-N 1 1 422.485 4.291 50 5 HIBAMO O=C1N[C@H](c2cccc([N+](=O)[O-])c2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000022633531 557269545 /nfs/dbraw/zinc/26/95/45/557269545.db2.gz WDCOULCZNMYDQR-FQEVSTJZSA-N 1 1 420.494 4.069 50 5 HIBAMO O=C1N[C@H](c2cccc([N+](=O)[O-])c2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000022633531 557269549 /nfs/dbraw/zinc/26/95/49/557269549.db2.gz WDCOULCZNMYDQR-FQEVSTJZSA-N 1 1 420.494 4.069 50 5 HIBAMO CCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000065322476 569224569 /nfs/dbraw/zinc/22/45/69/569224569.db2.gz OVNYSXLFZWHXLX-UHFFFAOYSA-N 1 1 407.474 4.203 50 5 HIBAMO COc1cc(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C)cc1[N+](=O)[O-] ZINC000006084611 568997172 /nfs/dbraw/zinc/99/71/72/568997172.db2.gz UTYXCQUSBAHEQG-UHFFFAOYSA-N 1 1 411.380 4.001 50 5 HIBAMO COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)c(C)cc1[N+](=O)[O-] ZINC000006084611 568997173 /nfs/dbraw/zinc/99/71/73/568997173.db2.gz UTYXCQUSBAHEQG-UHFFFAOYSA-N 1 1 411.380 4.001 50 5 HIBAMO CC(C)c1noc(-c2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)n1 ZINC000015833946 569012776 /nfs/dbraw/zinc/01/27/76/569012776.db2.gz OKBNZAFJEHOIDQ-UHFFFAOYSA-N 1 1 407.474 4.090 50 5 HIBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(OCc4ccccc4)c3)CC2)cc1 ZINC000055292211 569398925 /nfs/dbraw/zinc/39/89/25/569398925.db2.gz SSCIBZAMAIMIEH-UHFFFAOYSA-N 1 1 403.482 4.496 50 5 HIBAMO C[C@H]1CCCC[N@H+]1Cc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000040119609 571175819 /nfs/dbraw/zinc/17/58/19/571175819.db2.gz DELZMTWELDNPHX-HNNXBMFYSA-N 1 1 403.504 4.116 50 5 HIBAMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])c1 ZINC000010225047 571297297 /nfs/dbraw/zinc/29/72/97/571297297.db2.gz XJAQEJKIJDIRIH-HNNXBMFYSA-N 1 1 422.485 4.291 50 5 HIBAMO