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(c1ccco1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000037580705 569308145 /nfs/dbraw/zinc/30/81/45/569308145.db2.gz WXZJZFTVUZMTGM-UHFFFAOYSA-N 1 1 423.444 4.638 50 5 HJBAMO O=[N+]([O-])c1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842196 569430907 /nfs/dbraw/zinc/43/09/07/569430907.db2.gz KASUOBONQJYPCK-UHFFFAOYSA-N 1 1 417.534 4.678 50 5 HJBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000008928047 571160194 /nfs/dbraw/zinc/16/01/94/571160194.db2.gz IRRMBPAWXGFCAY-LJQANCHMSA-N 1 1 424.482 4.723 50 5 HJBAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020228 568838101 /nfs/dbraw/zinc/83/81/01/568838101.db2.gz JVIVUSCHJWLOEZ-HNNXBMFYSA-N 1 1 419.934 4.614 50 5 HJBAMO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037560518 569307100 /nfs/dbraw/zinc/30/71/00/569307100.db2.gz UFOXXYWHODBWRW-UHFFFAOYSA-N 1 1 413.493 4.840 50 5 HJBAMO Cc1cc(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])cc1C ZINC000012982240 569405769 /nfs/dbraw/zinc/40/57/69/569405769.db2.gz ULUJGUSLDQSTNO-OAQYLSRUSA-N 1 1 413.474 4.730 50 5 HJBAMO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)o2)c1 ZINC000004986423 559223378 /nfs/dbraw/zinc/22/33/78/559223378.db2.gz KPYAWIFXQKIFBV-VMPITWQZSA-N 1 1 403.482 4.686 50 5 HJBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc2nc3ccccc3nc21 ZINC000005524956 560604874 /nfs/dbraw/zinc/60/48/74/560604874.db2.gz NBFWQHUSMJBCCD-CYFREDJKSA-N 1 1 408.505 4.540 50 5 HJBAMO O=c1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)c2c(ccc3ccccc32)o1 ZINC000020412535 568605751 /nfs/dbraw/zinc/60/57/51/568605751.db2.gz DRKFODLCHJHPOM-RMKNXTFCSA-N 1 1 410.517 4.777 50 5 HJBAMO O=c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c2c(ccc3ccccc32)o1 ZINC000020412535 568605752 /nfs/dbraw/zinc/60/57/52/568605752.db2.gz DRKFODLCHJHPOM-RMKNXTFCSA-N 1 1 410.517 4.777 50 5 HJBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000004555217 558720628 /nfs/dbraw/zinc/72/06/28/558720628.db2.gz HRNDKIVQOUJNTC-INIZCTEOSA-N 1 1 406.895 4.505 50 5 HJBAMO CC(C)c1ccc(C[NH2+]CC2(N[C@@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000097002572 558987635 /nfs/dbraw/zinc/98/76/35/558987635.db2.gz HKFSPTZROSWMKR-IBGZPJMESA-N 1 1 411.546 4.708 50 5 HJBAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000096299888 568722958 /nfs/dbraw/zinc/72/29/58/568722958.db2.gz NKQUDDKAARAJSO-UHFFFAOYSA-N 1 1 411.477 4.622 50 5 HJBAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000065322216 569224444 /nfs/dbraw/zinc/22/44/44/569224444.db2.gz MBNDKKJCPUQPJC-UHFFFAOYSA-N 1 1 421.501 4.593 50 5 HJBAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000065322273 569224521 /nfs/dbraw/zinc/22/45/21/569224521.db2.gz RFEWEAULYYCARH-UHFFFAOYSA-N 1 1 421.501 4.764 50 5 HJBAMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)o1 ZINC000239378269 569233231 /nfs/dbraw/zinc/23/32/31/569233231.db2.gz OMSQHOIMBIFLFS-LADGPHEKSA-N 1 1 409.530 5.084 50 5 HJBAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000001225345 132242926 /nfs/dbraw/zinc/24/29/26/132242926.db2.gz IHUODRARJWZJKQ-UHFFFAOYSA-N 1 1 407.470 4.576 50 5 HJBAMO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c2ccncc21 ZINC000012633285 132365473 /nfs/dbraw/zinc/36/54/73/132365473.db2.gz FNLAHIACKOPUHN-UHFFFAOYSA-N 1 1 419.872 4.671 50 5 HJBAMO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675629 568725776 /nfs/dbraw/zinc/72/57/76/568725776.db2.gz FCYNJGODHOOLTK-UHFFFAOYSA-N 1 1 413.493 4.778 50 5 HJBAMO c1cc2ccc3ccc(C[N@H+]4CCN5CCC[C@H]5[C@@H]4C4CCCCC4)c4ccc(c1)c2c34 ZINC000239432980 569054348 /nfs/dbraw/zinc/05/43/48/569054348.db2.gz XARCLUDUPOZWLO-FIBWVYCGSA-N 1 1 422.616 6.813 50 5 HJBAMO c1cc2ccc3ccc(CN4CC[N@@H+]5CCC[C@H]5[C@@H]4C4CCCCC4)c4ccc(c1)c2c34 ZINC000239432980 569054349 /nfs/dbraw/zinc/05/43/49/569054349.db2.gz XARCLUDUPOZWLO-FIBWVYCGSA-N 1 1 422.616 6.813 50 5 HJBAMO c1cc2ccc3ccc(CN4CC[N@H+]5CCC[C@H]5[C@@H]4C4CCCCC4)c4ccc(c1)c2c34 ZINC000239432980 569054350 /nfs/dbraw/zinc/05/43/50/569054350.db2.gz XARCLUDUPOZWLO-FIBWVYCGSA-N 1 1 422.616 6.813 50 5 HJBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000006083485 568996774 /nfs/dbraw/zinc/99/67/74/568996774.db2.gz AJTNUMPYNLLMFC-NSHDSACASA-N 1 1 415.799 4.726 50 5 HJBAMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000006083485 568996776 /nfs/dbraw/zinc/99/67/76/568996776.db2.gz AJTNUMPYNLLMFC-NSHDSACASA-N 1 1 415.799 4.726 50 5 HJBAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000065322213 569224438 /nfs/dbraw/zinc/22/44/38/569224438.db2.gz BRJGTWHQUZWMOH-UHFFFAOYSA-N 1 1 421.501 4.593 50 5 HJBAMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000029527622 568827582 /nfs/dbraw/zinc/82/75/82/568827582.db2.gz DOAQYQOTKTVUIQ-UHFFFAOYSA-N 1 1 414.918 4.694 50 5 HJBAMO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)o2)c1 ZINC000239305937 569232485 /nfs/dbraw/zinc/23/24/85/569232485.db2.gz GFPBECZUZRCWCM-ISKFKSNPSA-N 1 1 409.530 5.084 50 5 HJBAMO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000072308284 558770200 /nfs/dbraw/zinc/77/02/00/558770200.db2.gz UCPWQSUMUREMDJ-UHFFFAOYSA-N 1 1 416.403 4.782 50 5 HJBAMO CCOc1ccccc1N1CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000057945217 558891699 /nfs/dbraw/zinc/89/16/99/558891699.db2.gz FAOUIVVVSUMNNF-UHFFFAOYSA-N 1 1 414.505 4.667 50 5 HJBAMO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000034675644 568725739 /nfs/dbraw/zinc/72/57/39/568725739.db2.gz ZIOADLNQMYAMHH-UHFFFAOYSA-N 1 1 419.481 4.808 50 5 HJBAMO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000036348094 569144332 /nfs/dbraw/zinc/14/43/32/569144332.db2.gz QFACGZMRLAVWQZ-DEOSSOPVSA-N 1 1 405.498 4.963 50 5 HJBAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000036348094 569144333 /nfs/dbraw/zinc/14/43/33/569144333.db2.gz QFACGZMRLAVWQZ-DEOSSOPVSA-N 1 1 405.498 4.963 50 5 HJBAMO Cc1cc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c([N+](=O)[O-])cc1C ZINC000010139892 571295411 /nfs/dbraw/zinc/29/54/11/571295411.db2.gz WDZLRZMONWXSQF-UHFFFAOYSA-N 1 1 406.486 4.511 50 5 HJBAMO CN(C)c1ccc(C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000032900662 522153740 /nfs/dbraw/zinc/15/37/40/522153740.db2.gz ZXVHZGSNUVXWSP-UHFFFAOYSA-N 1 1 410.518 4.678 50 5 HJBAMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000030520446 568869019 /nfs/dbraw/zinc/86/90/19/568869019.db2.gz BJVASVJEGJGPCT-UHFFFAOYSA-N 1 1 414.918 4.694 50 5 HJBAMO COc1ccc(OC)c(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1 ZINC000058138745 568890042 /nfs/dbraw/zinc/89/00/42/568890042.db2.gz WAQPWLMPGYYEOI-UHFFFAOYSA-N 1 1 402.834 4.815 50 5 HJBAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000065322272 569224597 /nfs/dbraw/zinc/22/45/97/569224597.db2.gz UCLHFJBFJTUGPS-UHFFFAOYSA-N 1 1 421.501 4.764 50 5 HJBAMO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000012987352 569405908 /nfs/dbraw/zinc/40/59/08/569405908.db2.gz KUFNGYSQLGEXRC-FQEVSTJZSA-N 1 1 411.502 4.776 50 5 HJBAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000012987352 569405910 /nfs/dbraw/zinc/40/59/10/569405910.db2.gz KUFNGYSQLGEXRC-FQEVSTJZSA-N 1 1 411.502 4.776 50 5 HJBAMO O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004725267 558923147 /nfs/dbraw/zinc/92/31/47/558923147.db2.gz HSORJSKSWYOQKW-UHFFFAOYSA-N 1 1 403.482 4.705 50 5 HJBAMO Cc1ccc(N(C(=O)c2ccco2)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000037560798 569307086 /nfs/dbraw/zinc/30/70/86/569307086.db2.gz OKUATCDLLWZPPA-UHFFFAOYSA-N 1 1 419.481 4.808 50 5 HJBAMO CCCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000046007491 568423647 /nfs/dbraw/zinc/42/36/47/568423647.db2.gz VHLZQBFPBWBBOA-UHFFFAOYSA-N 1 1 421.501 4.593 50 5 HJBAMO C[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012549941 132363048 /nfs/dbraw/zinc/36/30/48/132363048.db2.gz LWDVOYRLNXEQGY-CQSZACIVSA-N 1 1 402.882 4.678 50 5 HJBAMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020363548 568600436 /nfs/dbraw/zinc/60/04/36/568600436.db2.gz CLSFVMWBQKWXIJ-UHFFFAOYSA-N 1 1 401.466 4.714 50 5 HJBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)nc1 ZINC000030520203 568869102 /nfs/dbraw/zinc/86/91/02/568869102.db2.gz QMWHVNXUSGLNAY-UHFFFAOYSA-N 1 1 414.918 4.694 50 5 HJBAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc(C)nc2[N+](=O)[O-])n1 ZINC000007983279 568963979 /nfs/dbraw/zinc/96/39/79/568963979.db2.gz XCSVVJAREXFCCI-UHFFFAOYSA-N 1 1 401.492 4.554 50 5 HJBAMO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010139912 571295414 /nfs/dbraw/zinc/29/54/14/571295414.db2.gz HNXXUFLXCKWKJX-UHFFFAOYSA-N 1 1 412.877 4.548 50 5 HJBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc2nc3ccccc3nc21 ZINC000241401111 569054783 /nfs/dbraw/zinc/05/47/83/569054783.db2.gz NBFWQHUSMJBCCD-NTKDMRAZSA-N 1 1 408.505 4.540 50 5 HJBAMO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000004986201 559223391 /nfs/dbraw/zinc/22/33/91/559223391.db2.gz YMFYFEJLPATYIC-QPJJXVBHSA-N 1 1 403.482 4.686 50 5 HJBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048289000 568434895 /nfs/dbraw/zinc/43/48/95/568434895.db2.gz HWGMOWWMTVAAJU-QFIPXVFZSA-N 1 1 412.449 4.793 50 5 HJBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)n2)cc1 ZINC000048289000 568434896 /nfs/dbraw/zinc/43/48/96/568434896.db2.gz HWGMOWWMTVAAJU-QFIPXVFZSA-N 1 1 412.449 4.793 50 5 HJBAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cccc2nc3ccccc3nc21 ZINC000015906317 558761733 /nfs/dbraw/zinc/76/17/33/558761733.db2.gz NBFWQHUSMJBCCD-YADARESESA-N 1 1 408.505 4.540 50 5 HJBAMO CC[C@@H]1CCC[N@@H+]1CNC(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020144 568838928 /nfs/dbraw/zinc/83/89/28/568838928.db2.gz SOMDZLGJUATFOI-MRXNPFEDSA-N 1 1 419.934 4.961 50 5 HJBAMO CC[C@@H]1CCC[N@H+]1CNC(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020144 568838930 /nfs/dbraw/zinc/83/89/30/568838930.db2.gz SOMDZLGJUATFOI-MRXNPFEDSA-N 1 1 419.934 4.961 50 5 HJBAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 ZINC000004555218 558721236 /nfs/dbraw/zinc/72/12/36/558721236.db2.gz HRNDKIVQOUJNTC-MRXNPFEDSA-N 1 1 406.895 4.505 50 5 HJBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048289001 568434997 /nfs/dbraw/zinc/43/49/97/568434997.db2.gz HWGMOWWMTVAAJU-JOCHJYFZSA-N 1 1 412.449 4.793 50 5 HJBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)n2)cc1 ZINC000048289001 568434998 /nfs/dbraw/zinc/43/49/98/568434998.db2.gz HWGMOWWMTVAAJU-JOCHJYFZSA-N 1 1 412.449 4.793 50 5 HJBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)nc1 ZINC000029527627 568827578 /nfs/dbraw/zinc/82/75/78/568827578.db2.gz WCKVZVIJOSKNJP-UHFFFAOYSA-N 1 1 414.918 4.694 50 5 HJBAMO CC[C@H]1CCC[N@@H+]1CNC(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020142 568838893 /nfs/dbraw/zinc/83/88/93/568838893.db2.gz SOMDZLGJUATFOI-INIZCTEOSA-N 1 1 419.934 4.961 50 5 HJBAMO CC[C@H]1CCC[N@H+]1CNC(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020142 568838895 /nfs/dbraw/zinc/83/88/95/568838895.db2.gz SOMDZLGJUATFOI-INIZCTEOSA-N 1 1 419.934 4.961 50 5 HJBAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000065322214 569224474 /nfs/dbraw/zinc/22/44/74/569224474.db2.gz DLZMRUHHXLJCBR-UHFFFAOYSA-N 1 1 421.501 4.593 50 5 HJBAMO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019309270 569415745 /nfs/dbraw/zinc/41/57/45/569415745.db2.gz BDZXXRVHKUFKRP-UHFFFAOYSA-N 1 1 416.481 4.534 50 5 HJBAMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012558855 132363935 /nfs/dbraw/zinc/36/39/35/132363935.db2.gz HSZNYXPPYQBADE-HNNXBMFYSA-N 1 1 416.909 4.924 50 5 HJBAMO Cc1cccc(NC(=O)c2ccc(NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000004668821 558876963 /nfs/dbraw/zinc/87/69/63/558876963.db2.gz VVASMGJCSKHFGR-KDURUIRLSA-N 1 1 424.545 4.935 50 5 HJBAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cccc2nc3ccccc3nc21 ZINC000005524959 560604906 /nfs/dbraw/zinc/60/49/06/560604906.db2.gz NBFWQHUSMJBCCD-DVECYGJZSA-N 1 1 408.505 4.540 50 5 HJBAMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003390040 568894012 /nfs/dbraw/zinc/89/40/12/568894012.db2.gz XLSSLZZUMMAKIC-LLVKDONJSA-N 1 1 415.799 4.726 50 5 HJBAMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003390040 568894013 /nfs/dbraw/zinc/89/40/13/568894013.db2.gz XLSSLZZUMMAKIC-LLVKDONJSA-N 1 1 415.799 4.726 50 5 HJBAMO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[N@H+]4CCC[C@H]4[C@H]3C3CCCCC3)o2)c1 ZINC000239305938 569232473 /nfs/dbraw/zinc/23/24/73/569232473.db2.gz GFPBECZUZRCWCM-LADGPHEKSA-N 1 1 409.530 5.084 50 5 HJBAMO C[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012549944 132363052 /nfs/dbraw/zinc/36/30/52/132363052.db2.gz LWDVOYRLNXEQGY-AWEZNQCLSA-N 1 1 402.882 4.678 50 5 HJBAMO Cc1cc(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c([N+](=O)[O-])cc1C ZINC000012982238 569405753 /nfs/dbraw/zinc/40/57/53/569405753.db2.gz ULUJGUSLDQSTNO-NRFANRHFSA-N 1 1 413.474 4.730 50 5 HJBAMO COc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000012987354 569405897 /nfs/dbraw/zinc/40/58/97/569405897.db2.gz KUFNGYSQLGEXRC-HXUWFJFHSA-N 1 1 411.502 4.776 50 5 HJBAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000012987354 569405900 /nfs/dbraw/zinc/40/59/00/569405900.db2.gz KUFNGYSQLGEXRC-HXUWFJFHSA-N 1 1 411.502 4.776 50 5 HJBAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4[N+](=O)[O-])o2)N3)C1 ZINC000008928045 571160287 /nfs/dbraw/zinc/16/02/87/571160287.db2.gz IRRMBPAWXGFCAY-IBGZPJMESA-N 1 1 424.482 4.723 50 5 HJBAMO Cc1ccc([N+](=O)[O-])c(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)c1C ZINC000010140778 571295554 /nfs/dbraw/zinc/29/55/54/571295554.db2.gz PLWKTZRRZILWPI-UHFFFAOYSA-N 1 1 406.486 4.511 50 5 HJBAMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003390037 568893957 /nfs/dbraw/zinc/89/39/57/568893957.db2.gz XLSSLZZUMMAKIC-NSHDSACASA-N 1 1 415.799 4.726 50 5 HJBAMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003390037 568893959 /nfs/dbraw/zinc/89/39/59/568893959.db2.gz XLSSLZZUMMAKIC-NSHDSACASA-N 1 1 415.799 4.726 50 5 HJBAMO CC(C)c1ccc(C[NH2+]CC2(N[C@H](C)c3ccccc3)CCOCC2)cc1[N+](=O)[O-] ZINC000097002576 558987603 /nfs/dbraw/zinc/98/76/03/558987603.db2.gz HKFSPTZROSWMKR-LJQANCHMSA-N 1 1 411.546 4.708 50 5 HJBAMO Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)o1 ZINC000008994107 571208330 /nfs/dbraw/zinc/20/83/30/571208330.db2.gz ILHRDVLQTSGGNZ-IBGZPJMESA-N 1 1 424.482 4.642 50 5 HJBAMO Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)o1 ZINC000008994107 571208331 /nfs/dbraw/zinc/20/83/31/571208331.db2.gz ILHRDVLQTSGGNZ-IBGZPJMESA-N 1 1 424.482 4.642 50 5 HJBAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012558857 132363931 /nfs/dbraw/zinc/36/39/31/132363931.db2.gz HSZNYXPPYQBADE-OAHLLOKOSA-N 1 1 416.909 4.924 50 5 HJBAMO COc1cc(C[N@@H+](CCc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000023281837 559078794 /nfs/dbraw/zinc/07/87/94/559078794.db2.gz WQXWZXDZTSROFN-UHFFFAOYSA-N 1 1 406.482 4.857 50 5 HJBAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020232 568838113 /nfs/dbraw/zinc/83/81/13/568838113.db2.gz JVIVUSCHJWLOEZ-OAHLLOKOSA-N 1 1 419.934 4.614 50 5 HJBAMO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)o1 ZINC000239378271 569233190 /nfs/dbraw/zinc/23/31/90/569233190.db2.gz OMSQHOIMBIFLFS-UPVQGACJSA-N 1 1 409.530 5.084 50 5 HJBAMO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675663 568725868 /nfs/dbraw/zinc/72/58/68/568725868.db2.gz BTNRHWWEUCAHHU-UHFFFAOYSA-N 1 1 413.493 4.840 50 5 HJBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000006083488 568996715 /nfs/dbraw/zinc/99/67/15/568996715.db2.gz AJTNUMPYNLLMFC-LLVKDONJSA-N 1 1 415.799 4.726 50 5 HJBAMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000006083488 568996717 /nfs/dbraw/zinc/99/67/17/568996717.db2.gz AJTNUMPYNLLMFC-LLVKDONJSA-N 1 1 415.799 4.726 50 5 HJBAMO Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)o1 ZINC000008994108 571208315 /nfs/dbraw/zinc/20/83/15/571208315.db2.gz ILHRDVLQTSGGNZ-LJQANCHMSA-N 1 1 424.482 4.642 50 5 HJBAMO Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)o1 ZINC000008994108 571208316 /nfs/dbraw/zinc/20/83/16/571208316.db2.gz ILHRDVLQTSGGNZ-LJQANCHMSA-N 1 1 424.482 4.642 50 5 HJBAMO C[N@@H+](Cc1ccccc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000002632745 568791380 /nfs/dbraw/zinc/79/13/80/568791380.db2.gz PKGFFGSSCQJOPH-UHFFFAOYSA-N 1 1 409.486 4.571 50 5 HJBAMO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000036348093 569144375 /nfs/dbraw/zinc/14/43/75/569144375.db2.gz QFACGZMRLAVWQZ-XMMPIXPASA-N 1 1 405.498 4.963 50 5 HJBAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000036348093 569144377 /nfs/dbraw/zinc/14/43/77/569144377.db2.gz QFACGZMRLAVWQZ-XMMPIXPASA-N 1 1 405.498 4.963 50 5 HJBAMO