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(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831107 558816496 /nfs/dbraw/zinc/81/64/96/558816496.db2.gz IGBUOBCYHASXRR-QHCPKHFHSA-N 2 1 409.549 3.950 40 0 HHABMP COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CCCC[NH3+])C[C@@H]32)cc1 ZINC000257313060 559282953 /nfs/dbraw/zinc/28/29/53/559282953.db2.gz UQVNAMZJSXDBDH-UBFVSLLYSA-N 2 1 421.585 3.641 40 0 HHABMP C[C@H]1CCC[NH+](CCCc2nnc(CCC[N@@H+]3CCC[C@H](C)C3)n2-n2cccc2)C1 ZINC000260574298 560869362 /nfs/dbraw/zinc/86/93/62/560869362.db2.gz ROZSEDAVSKYEFJ-VXKWHMMOSA-N 2 1 412.626 3.720 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(F)c4)CC2)C[N@@H+](C)C3)cc1 ZINC000306128954 568891652 /nfs/dbraw/zinc/89/16/52/568891652.db2.gz HPDGPHAJHOBCTK-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(F)c4)CC2)C[N@H+](C)C3)cc1 ZINC000306128954 568891653 /nfs/dbraw/zinc/89/16/53/568891653.db2.gz HPDGPHAJHOBCTK-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP Cc1cnccc1C[NH+]1CCC([C@H]2C[C@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000019239502 558858018 /nfs/dbraw/zinc/85/80/18/558858018.db2.gz JYFAVJMKALYGLJ-NZQKXSOJSA-N 2 1 410.537 3.700 40 0 HHABMP Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)o1 ZINC000096052931 559092741 /nfs/dbraw/zinc/09/27/41/559092741.db2.gz UTVRVHCNYLINGY-NRFANRHFSA-N 2 1 421.585 3.773 40 0 HHABMP O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585272280 559118074 /nfs/dbraw/zinc/11/80/74/559118074.db2.gz MBMTZTSIIBVNFL-RUZDIDTESA-N 2 1 410.558 3.567 40 0 HHABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000585274377 559118664 /nfs/dbraw/zinc/11/86/64/559118664.db2.gz VSAYJCOTSUQKNL-XMMPIXPASA-N 2 1 421.585 3.999 40 0 HHABMP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CC[N@@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335212 568814896 /nfs/dbraw/zinc/81/48/96/568814896.db2.gz YJDQAUKKLOJRSY-IBGZPJMESA-N 2 1 408.546 3.942 40 0 HHABMP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CC[N@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335212 568814898 /nfs/dbraw/zinc/81/48/98/568814898.db2.gz YJDQAUKKLOJRSY-IBGZPJMESA-N 2 1 408.546 3.942 40 0 HHABMP C[NH+](C)CCNc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329008060 568972375 /nfs/dbraw/zinc/97/23/75/568972375.db2.gz LNTQQVRBIITHRH-UHFFFAOYSA-N 2 1 416.367 3.653 40 0 HHABMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc2c([nH]c1=O)n(-c1ccccc1)nc2C(C)(C)C ZINC000057810322 558890669 /nfs/dbraw/zinc/89/06/69/558890669.db2.gz CVRGDKUQZVHEFL-UHFFFAOYSA-N 2 1 409.578 3.689 40 0 HHABMP COc1ncccc1C[N@@H+]1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242463 559103960 /nfs/dbraw/zinc/10/39/60/559103960.db2.gz MNBSBHPNMPHMFM-UHFFFAOYSA-N 2 1 407.558 3.619 40 0 HHABMP COc1ncccc1C[N@H+]1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1 ZINC000096242463 559103961 /nfs/dbraw/zinc/10/39/61/559103961.db2.gz MNBSBHPNMPHMFM-UHFFFAOYSA-N 2 1 407.558 3.619 40 0 HHABMP Cc1[nH+]ccn1CCOc1cccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585272040 559117788 /nfs/dbraw/zinc/11/77/88/559117788.db2.gz KXZZASVJWQLWQW-VWLOTQADSA-N 2 1 421.541 3.676 40 0 HHABMP Cc1[nH+]ccn1CCOc1cccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)c1 ZINC000585272040 559117790 /nfs/dbraw/zinc/11/77/90/559117790.db2.gz KXZZASVJWQLWQW-VWLOTQADSA-N 2 1 421.541 3.676 40 0 HHABMP c1coc(CN2CC3(C[NH+](CC4CC4)C3)[C@]3(C2)CCC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000306130787 568893115 /nfs/dbraw/zinc/89/31/15/568893115.db2.gz JPIQIGHNGFUKIC-RUZDIDTESA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[N@H+]2CC3(CN(CC4CC4)C3)[C@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1 ZINC000306130787 568893117 /nfs/dbraw/zinc/89/31/17/568893117.db2.gz JPIQIGHNGFUKIC-RUZDIDTESA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[N@@H+]2CC3(CN(CC4CC4)C3)[C@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1 ZINC000306130787 568893119 /nfs/dbraw/zinc/89/31/19/568893119.db2.gz JPIQIGHNGFUKIC-RUZDIDTESA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[NH+]2CC3(CN(CC4CC4)C3)[C@]3(C2)CCC[N@H+](Cc2cccnc2)CC3)c1 ZINC000306130787 568893121 /nfs/dbraw/zinc/89/31/21/568893121.db2.gz JPIQIGHNGFUKIC-RUZDIDTESA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[NH+]2CC3(CN(CC4CC4)C3)[C@]3(C2)CCC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000306130787 568893123 /nfs/dbraw/zinc/89/31/23/568893123.db2.gz JPIQIGHNGFUKIC-RUZDIDTESA-N 2 1 420.601 3.875 40 0 HHABMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850732 558818832 /nfs/dbraw/zinc/81/88/32/558818832.db2.gz BYOHFUHOVJXHFQ-JOCHJYFZSA-N 2 1 411.977 3.896 40 0 HHABMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850732 558818834 /nfs/dbraw/zinc/81/88/34/558818834.db2.gz BYOHFUHOVJXHFQ-JOCHJYFZSA-N 2 1 411.977 3.896 40 0 HHABMP Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000585270976 559116611 /nfs/dbraw/zinc/11/66/11/559116611.db2.gz DWDHDHWKKOXDTI-VWLOTQADSA-N 2 1 412.574 3.731 40 0 HHABMP C[C@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588112 568655153 /nfs/dbraw/zinc/65/51/53/568655153.db2.gz GEDYOODNJVDOHK-KRWDZBQOSA-N 2 1 409.977 3.929 40 0 HHABMP C[C@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588112 568655154 /nfs/dbraw/zinc/65/51/54/568655154.db2.gz GEDYOODNJVDOHK-KRWDZBQOSA-N 2 1 409.977 3.929 40 0 HHABMP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)C1 ZINC000038831714 558816957 /nfs/dbraw/zinc/81/69/57/558816957.db2.gz JNWJXDMZEQBVJP-NRFANRHFSA-N 2 1 421.585 3.681 40 0 HHABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)C1 ZINC000038831714 558816958 /nfs/dbraw/zinc/81/69/58/558816958.db2.gz JNWJXDMZEQBVJP-NRFANRHFSA-N 2 1 421.585 3.681 40 0 HHABMP COc1ccc(NC(=O)[C@H]2C[C@@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@@H+](C)C2)cc1 ZINC000019216577 558850431 /nfs/dbraw/zinc/85/04/31/558850431.db2.gz RTNJXWGHXBAIJY-CVDCTZTESA-N 2 1 411.546 3.768 40 0 HHABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1cccs1)CC3 ZINC000096036314 559089993 /nfs/dbraw/zinc/08/99/93/559089993.db2.gz DMVRLSMLJDGJMK-NZQKXSOJSA-N 2 1 401.620 3.685 40 0 HHABMP COc1cc(C[N@@H+](C)C[C@H](O)c2ccccc2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585271033 559116652 /nfs/dbraw/zinc/11/66/52/559116652.db2.gz DFIYZJSMGMBCRC-QHCPKHFHSA-N 2 1 412.574 3.971 40 0 HHABMP C[NH+]1CCN(C(=O)C[C@H]2CC3(CC[NH+](Cc4cccs4)CC3)c3ccccc32)CC1 ZINC000096052924 559092747 /nfs/dbraw/zinc/09/27/47/559092747.db2.gz POPYUMQXHBTUKG-FQEVSTJZSA-N 2 1 423.626 3.933 40 0 HHABMP Cc1[nH+]ccn1CCOc1cccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585272035 559117819 /nfs/dbraw/zinc/11/78/19/559117819.db2.gz KXZZASVJWQLWQW-RUZDIDTESA-N 2 1 421.541 3.676 40 0 HHABMP Cc1[nH+]ccn1CCOc1cccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)c1 ZINC000585272035 559117821 /nfs/dbraw/zinc/11/78/21/559117821.db2.gz KXZZASVJWQLWQW-RUZDIDTESA-N 2 1 421.541 3.676 40 0 HHABMP CC(=O)N1CC[N@H+](Cc2ccccc2OCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000257343125 559283612 /nfs/dbraw/zinc/28/36/12/559283612.db2.gz ZRODUBRVNYUCSK-XMMPIXPASA-N 2 1 407.558 3.567 40 0 HHABMP CC(=O)N1CC[N@@H+](Cc2ccccc2OCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000257343125 559283615 /nfs/dbraw/zinc/28/36/15/559283615.db2.gz ZRODUBRVNYUCSK-XMMPIXPASA-N 2 1 407.558 3.567 40 0 HHABMP Cc1[nH+]ccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H]1O ZINC000257306945 568806571 /nfs/dbraw/zinc/80/65/71/568806571.db2.gz SWQZRWYVBFFUHX-WXFUMESZSA-N 2 1 424.589 3.794 40 0 HHABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000306127977 568890776 /nfs/dbraw/zinc/89/07/76/568890776.db2.gz GMTIYXPWSYIPCZ-UHFFFAOYSA-N 2 1 409.484 3.660 40 0 HHABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000306127977 568890779 /nfs/dbraw/zinc/89/07/79/568890779.db2.gz GMTIYXPWSYIPCZ-UHFFFAOYSA-N 2 1 409.484 3.660 40 0 HHABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306136969 568898834 /nfs/dbraw/zinc/89/88/34/568898834.db2.gz QHWVDXOBTWJOJL-UHFFFAOYSA-N 2 1 409.484 3.660 40 0 HHABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000306136969 568898837 /nfs/dbraw/zinc/89/88/37/568898837.db2.gz QHWVDXOBTWJOJL-UHFFFAOYSA-N 2 1 409.484 3.660 40 0 HHABMP C[NH2+]CCC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008376942 557784485 /nfs/dbraw/zinc/78/44/85/557784485.db2.gz WCUNODWARQJKRV-UHFFFAOYSA-N 2 1 411.315 3.875 40 0 HHABMP CO[C@H]1C[N@H+](Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@@H]1Oc1cccc(C)c1 ZINC000585268751 559113675 /nfs/dbraw/zinc/11/36/75/559113675.db2.gz CCXNWVBFZWCLPH-DQEYMECFSA-N 2 1 421.541 3.857 40 0 HHABMP CO[C@H]1C[N@@H+](Cc2ccc(OCCn3cc[nH+]c3C)cc2)C[C@@H]1Oc1cccc(C)c1 ZINC000585268751 559113676 /nfs/dbraw/zinc/11/36/76/559113676.db2.gz CCXNWVBFZWCLPH-DQEYMECFSA-N 2 1 421.541 3.857 40 0 HHABMP Nc1nc2c(c(N)n1)C[C@]1(CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC1)O2 ZINC000257219383 568781861 /nfs/dbraw/zinc/78/18/61/568781861.db2.gz DGOWCOKLDXQEQJ-XMMPIXPASA-N 2 1 417.513 3.793 40 0 HHABMP CCc1[nH+]ccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257269543 568795507 /nfs/dbraw/zinc/79/55/07/568795507.db2.gz MQKQAKOXFDZKCK-FMLGWJCWSA-N 2 1 420.601 3.921 40 0 HHABMP CCc1[nH+]ccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000257269543 568795508 /nfs/dbraw/zinc/79/55/08/568795508.db2.gz MQKQAKOXFDZKCK-FMLGWJCWSA-N 2 1 420.601 3.921 40 0 HHABMP c1coc(CN2CC3(C[NH+](CC4CC4)C3)[C@@]3(C2)CCC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000306130788 568893211 /nfs/dbraw/zinc/89/32/11/568893211.db2.gz JPIQIGHNGFUKIC-VWLOTQADSA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[N@H+]2CC3(CN(CC4CC4)C3)[C@@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1 ZINC000306130788 568893213 /nfs/dbraw/zinc/89/32/13/568893213.db2.gz JPIQIGHNGFUKIC-VWLOTQADSA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[N@@H+]2CC3(CN(CC4CC4)C3)[C@@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1 ZINC000306130788 568893215 /nfs/dbraw/zinc/89/32/15/568893215.db2.gz JPIQIGHNGFUKIC-VWLOTQADSA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[NH+]2CC3(CN(CC4CC4)C3)[C@@]3(C2)CCC[N@H+](Cc2cccnc2)CC3)c1 ZINC000306130788 568893217 /nfs/dbraw/zinc/89/32/17/568893217.db2.gz JPIQIGHNGFUKIC-VWLOTQADSA-N 2 1 420.601 3.875 40 0 HHABMP c1coc(C[NH+]2CC3(CN(CC4CC4)C3)[C@@]3(C2)CCC[N@@H+](Cc2cccnc2)CC3)c1 ZINC000306130788 568893219 /nfs/dbraw/zinc/89/32/19/568893219.db2.gz JPIQIGHNGFUKIC-VWLOTQADSA-N 2 1 420.601 3.875 40 0 HHABMP CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329004808 568972237 /nfs/dbraw/zinc/97/22/37/568972237.db2.gz KTZCETLHEQFUOG-UHFFFAOYSA-N 2 1 418.383 3.899 40 0 HHABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(C)s1)CC3 ZINC000096036317 559089965 /nfs/dbraw/zinc/08/99/65/559089965.db2.gz PQHZNSPYIQNANF-XUZZJYLKSA-N 2 1 415.647 3.993 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccccc4F)CC2)C[N@@H+](C)C3)cc1 ZINC000306126931 568889830 /nfs/dbraw/zinc/88/98/30/568889830.db2.gz FJJJDTBWWJEXFY-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccccc4F)CC2)C[N@H+](C)C3)cc1 ZINC000306126931 568889831 /nfs/dbraw/zinc/88/98/31/568889831.db2.gz FJJJDTBWWJEXFY-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP CC(C)C[NH+]1CCC2(CCC[N@@H+](Cc3cccs3)[C@H]2CNC(=O)N(C)C)CC1 ZINC000306133293 568895409 /nfs/dbraw/zinc/89/54/09/568895409.db2.gz MHSYEFDQPGIDJI-FQEVSTJZSA-N 2 1 406.640 3.722 40 0 HHABMP Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306142043 568903465 /nfs/dbraw/zinc/90/34/65/568903465.db2.gz WNOMDWRYYXJHSZ-UHFFFAOYSA-N 2 1 405.521 3.829 40 0 HHABMP Cc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306142043 568903466 /nfs/dbraw/zinc/90/34/66/568903466.db2.gz WNOMDWRYYXJHSZ-UHFFFAOYSA-N 2 1 405.521 3.829 40 0 HHABMP CC(C)(CN1CCOCC1)C[N@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740508 558801863 /nfs/dbraw/zinc/80/18/63/558801863.db2.gz AJKWZTBHXXMQPD-UHFFFAOYSA-N 2 1 402.627 3.551 40 0 HHABMP CC(C)(CN1CCOCC1)C[N@@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036740508 558801865 /nfs/dbraw/zinc/80/18/65/558801865.db2.gz AJKWZTBHXXMQPD-UHFFFAOYSA-N 2 1 402.627 3.551 40 0 HHABMP CC(C)NC(=O)Cn1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000036741490 558802314 /nfs/dbraw/zinc/80/23/14/558802314.db2.gz JXWNHFLGELANPH-HXUWFJFHSA-N 2 1 410.606 3.862 40 0 HHABMP CC(C)NC(=O)Cn1cc(C[NH+]2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c2ccccc21 ZINC000036741490 558802316 /nfs/dbraw/zinc/80/23/16/558802316.db2.gz JXWNHFLGELANPH-HXUWFJFHSA-N 2 1 410.606 3.862 40 0 HHABMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831106 558816514 /nfs/dbraw/zinc/81/65/14/558816514.db2.gz IGBUOBCYHASXRR-HSZRJFAPSA-N 2 1 409.549 3.950 40 0 HHABMP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)C1 ZINC000038831725 558816818 /nfs/dbraw/zinc/81/68/18/558816818.db2.gz RQLJPQRWOQMCAY-OAQYLSRUSA-N 2 1 421.585 3.681 40 0 HHABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)C1 ZINC000038831725 558816822 /nfs/dbraw/zinc/81/68/22/558816822.db2.gz RQLJPQRWOQMCAY-OAQYLSRUSA-N 2 1 421.585 3.681 40 0 HHABMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038831670 558816857 /nfs/dbraw/zinc/81/68/57/558816857.db2.gz OMOMVDBMUPPFNJ-UHFFFAOYSA-N 2 1 421.585 3.825 40 0 HHABMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850734 558818807 /nfs/dbraw/zinc/81/88/07/558818807.db2.gz BYOHFUHOVJXHFQ-QFIPXVFZSA-N 2 1 411.977 3.896 40 0 HHABMP O=C([C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850734 558818810 /nfs/dbraw/zinc/81/88/10/558818810.db2.gz BYOHFUHOVJXHFQ-QFIPXVFZSA-N 2 1 411.977 3.896 40 0 HHABMP C[NH+](C)CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328965630 568970055 /nfs/dbraw/zinc/97/00/55/568970055.db2.gz CEPMECVWPHFYFI-UHFFFAOYSA-N 2 1 421.467 3.789 40 0 HHABMP COc1ccc(NC(=O)[C@H]2C[C@@H](C3CC[NH+](Cc4ccsc4)CC3)[N@@H+](C)C2)cc1 ZINC000019587757 569345754 /nfs/dbraw/zinc/34/57/54/569345754.db2.gz IYRPUHSASFTWDW-UGKGYDQZSA-N 2 1 413.587 3.928 40 0 HHABMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3F)CC2)cc1 ZINC000585270267 559116337 /nfs/dbraw/zinc/11/63/37/559116337.db2.gz AYXLZOMWOLUFPK-DEOSSOPVSA-N 2 1 416.537 3.562 40 0 HHABMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000224799561 568597227 /nfs/dbraw/zinc/59/72/27/568597227.db2.gz PJUOMQQXRPGQFS-QHCPKHFHSA-N 2 1 409.549 3.950 40 0 HHABMP Nc1nc2c(c(N)n1)C[C@@]1(CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC1)O2 ZINC000257219382 568781792 /nfs/dbraw/zinc/78/17/92/568781792.db2.gz DGOWCOKLDXQEQJ-DEOSSOPVSA-N 2 1 417.513 3.793 40 0 HHABMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831123 558816529 /nfs/dbraw/zinc/81/65/29/558816529.db2.gz HHSPCHCUKJXFGM-QHCPKHFHSA-N 2 1 409.549 3.950 40 0 HHABMP COc1ccc(NC(=O)[C@@H]2C[C@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@@H+](C)C2)cc1 ZINC000019216579 558850406 /nfs/dbraw/zinc/85/04/06/558850406.db2.gz RTNJXWGHXBAIJY-AUSIDOKSSA-N 2 1 411.546 3.768 40 0 HHABMP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000019287977 558861235 /nfs/dbraw/zinc/86/12/35/558861235.db2.gz ADPQIKWDHRLIQY-UHFFFAOYSA-N 2 1 409.505 3.937 40 0 HHABMP O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000585272283 559118111 /nfs/dbraw/zinc/11/81/11/559118111.db2.gz MBMTZTSIIBVNFL-VWLOTQADSA-N 2 1 410.558 3.567 40 0 HHABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)COC1CCCCC1 ZINC000585272678 559118206 /nfs/dbraw/zinc/11/82/06/559118206.db2.gz LVVZCSLAFZUBAL-QFIPXVFZSA-N 2 1 404.595 3.693 40 0 HHABMP COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CC[NH+](Cc4ccsc4)CC3)[N@@H+](C)C2)cc1 ZINC000019587755 569345835 /nfs/dbraw/zinc/34/58/35/569345835.db2.gz IYRPUHSASFTWDW-KNQAVFIVSA-N 2 1 413.587 3.928 40 0 HHABMP Cc1cnccc1C[NH+]1CCC([C@@H]2C[C@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000036734295 558801198 /nfs/dbraw/zinc/80/11/98/558801198.db2.gz JYFAVJMKALYGLJ-REWPJTCUSA-N 2 1 410.537 3.700 40 0 HHABMP CC1CC[NH+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC000038831696 558816890 /nfs/dbraw/zinc/81/68/90/558816890.db2.gz FATYRFHXMUSNDS-UHFFFAOYSA-N 2 1 421.585 3.681 40 0 HHABMP O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850739 558818765 /nfs/dbraw/zinc/81/87/65/558818765.db2.gz ZHGOXBOKEJTHOV-JOCHJYFZSA-N 2 1 411.977 3.896 40 0 HHABMP O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850739 558818768 /nfs/dbraw/zinc/81/87/68/558818768.db2.gz ZHGOXBOKEJTHOV-JOCHJYFZSA-N 2 1 411.977 3.896 40 0 HHABMP Cc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585272744 559118197 /nfs/dbraw/zinc/11/81/97/559118197.db2.gz JHSAFSWGHOOBJK-RUZDIDTESA-N 2 1 421.541 3.676 40 0 HHABMP Cc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000585272744 559118198 /nfs/dbraw/zinc/11/81/98/559118198.db2.gz JHSAFSWGHOOBJK-RUZDIDTESA-N 2 1 421.541 3.676 40 0 HHABMP C[NH+](C)CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329069936 568975695 /nfs/dbraw/zinc/97/56/95/568975695.db2.gz ZBMFKPLEKHEPBL-UHFFFAOYSA-N 2 1 421.467 3.789 40 0 HHABMP O=C(C[NH+]1CCCC1)Nc1ccc(Oc2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1 ZINC000000811933 559281032 /nfs/dbraw/zinc/28/10/32/559281032.db2.gz TYFPXMFXJNYUAA-UHFFFAOYSA-N 2 1 422.529 3.548 40 0 HHABMP C[NH2+]CC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1 ZINC000257311032 568807531 /nfs/dbraw/zinc/80/75/31/568807531.db2.gz UHQGLLSJDWGVSK-UHFFFAOYSA-N 2 1 413.606 3.821 40 0 HHABMP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335213 568814931 /nfs/dbraw/zinc/81/49/31/568814931.db2.gz YJDQAUKKLOJRSY-LJQANCHMSA-N 2 1 408.546 3.942 40 0 HHABMP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@H+](C4CCN(C(C)=O)CC4)C3)c2)c1 ZINC000257335213 568814933 /nfs/dbraw/zinc/81/49/33/568814933.db2.gz YJDQAUKKLOJRSY-LJQANCHMSA-N 2 1 408.546 3.942 40 0 HHABMP CCC1CC[NH+](CCC2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000015080413 558718769 /nfs/dbraw/zinc/71/87/69/558718769.db2.gz QVDXEXLOCQBRJT-JOCHJYFZSA-N 2 1 415.553 3.682 40 0 HHABMP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)C1 ZINC000038831713 558816831 /nfs/dbraw/zinc/81/68/31/558816831.db2.gz JNWJXDMZEQBVJP-OAQYLSRUSA-N 2 1 421.585 3.681 40 0 HHABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)C1 ZINC000038831713 558816834 /nfs/dbraw/zinc/81/68/34/558816834.db2.gz JNWJXDMZEQBVJP-OAQYLSRUSA-N 2 1 421.585 3.681 40 0 HHABMP Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](CC4CC[NH+](Cc5ccccc5)CC4)C[C@@H]32)nc1 ZINC000019216104 558850077 /nfs/dbraw/zinc/85/00/77/558850077.db2.gz BYPUHHJEPJUCMW-RMTZWNOUSA-N 2 1 405.586 3.832 40 0 HHABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658111 558949982 /nfs/dbraw/zinc/94/99/82/558949982.db2.gz AEKPHHNYPVFFGY-LJQANCHMSA-N 2 1 405.502 3.730 40 0 HHABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658111 558949987 /nfs/dbraw/zinc/94/99/87/558949987.db2.gz AEKPHHNYPVFFGY-LJQANCHMSA-N 2 1 405.502 3.730 40 0 HHABMP COc1ccc(C[NH+]2CCC([C@H]3CCCCN(C)C3=O)CC2)cc1Cn1cc[nH+]c1C ZINC000072372048 558959512 /nfs/dbraw/zinc/95/95/12/558959512.db2.gz ZHHJIJUBXCAKLS-HSZRJFAPSA-N 2 1 424.589 3.719 40 0 HHABMP Cc1ccc(C[NH+]2CCC3(CC[C@@]4(C(=O)N5CCCC5)C[N@@H+](C)C[C@@H]34)CC2)s1 ZINC000096036302 559089944 /nfs/dbraw/zinc/08/99/44/559089944.db2.gz LDJREKAMCCKIOV-NZQKXSOJSA-N 2 1 401.620 3.603 40 0 HHABMP O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245601 559105176 /nfs/dbraw/zinc/10/51/76/559105176.db2.gz XURVPRVMHGUASP-SZPZYZBQSA-N 2 1 404.558 3.747 40 0 HHABMP O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245601 559105177 /nfs/dbraw/zinc/10/51/77/559105177.db2.gz XURVPRVMHGUASP-SZPZYZBQSA-N 2 1 404.558 3.747 40 0 HHABMP CC(=O)N[C@]12C[N@H+](Cc3cc4ccccc4s3)[C@H](c3ccccc3)[C@H]1C[NH2+]CC2 ZINC000257246644 568789331 /nfs/dbraw/zinc/78/93/31/568789331.db2.gz IVBPADYINZGFLN-GMKZXUHWSA-N 2 1 405.567 3.943 40 0 HHABMP CC(=O)N[C@]12C[N@@H+](Cc3cc4ccccc4s3)[C@H](c3ccccc3)[C@H]1C[NH2+]CC2 ZINC000257246644 568789333 /nfs/dbraw/zinc/78/93/33/568789333.db2.gz IVBPADYINZGFLN-GMKZXUHWSA-N 2 1 405.567 3.943 40 0 HHABMP CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3cccc(-c4cccs4)n3)O2)C1 ZINC000306143800 568905050 /nfs/dbraw/zinc/90/50/50/568905050.db2.gz YMZWKSKPOPEENH-DENIHFKCSA-N 2 1 401.576 3.558 40 0 HHABMP CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329043047 568974381 /nfs/dbraw/zinc/97/43/81/568974381.db2.gz SQEJRPGQQAGEIX-UHFFFAOYSA-N 2 1 418.383 3.899 40 0 HHABMP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)C1 ZINC000038831726 558816906 /nfs/dbraw/zinc/81/69/06/558816906.db2.gz RQLJPQRWOQMCAY-NRFANRHFSA-N 2 1 421.585 3.681 40 0 HHABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)C1 ZINC000038831726 558816908 /nfs/dbraw/zinc/81/69/08/558816908.db2.gz RQLJPQRWOQMCAY-NRFANRHFSA-N 2 1 421.585 3.681 40 0 HHABMP COc1ccc(C[NH+]2CCC([C@@H]3CCCCN(C)C3=O)CC2)cc1Cn1cc[nH+]c1C ZINC000072372047 558959499 /nfs/dbraw/zinc/95/94/99/558959499.db2.gz ZHHJIJUBXCAKLS-QHCPKHFHSA-N 2 1 424.589 3.719 40 0 HHABMP O=C(Nc1ccccc1)N1C[C@@H]2C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC000096245602 559105153 /nfs/dbraw/zinc/10/51/53/559105153.db2.gz XURVPRVMHGUASP-VXKWHMMOSA-N 2 1 404.558 3.747 40 0 HHABMP OCC[N@H+](Cc1cccn1C1CC[NH+](Cc2ccccc2)CC1)Cc1cccnc1 ZINC000013569650 560814177 /nfs/dbraw/zinc/81/41/77/560814177.db2.gz ZLZMCADPEXJKKN-UHFFFAOYSA-N 2 1 404.558 3.715 40 0 HHABMP OCC[N@@H+](Cc1cccn1C1CC[NH+](Cc2ccccc2)CC1)Cc1cccnc1 ZINC000013569650 560814180 /nfs/dbraw/zinc/81/41/80/560814180.db2.gz ZLZMCADPEXJKKN-UHFFFAOYSA-N 2 1 404.558 3.715 40 0 HHABMP CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000026441151 568549533 /nfs/dbraw/zinc/54/95/33/568549533.db2.gz UCIWSJYQLBTJRC-HXUWFJFHSA-N 2 1 414.623 3.822 40 0 HHABMP CC(C)NC(=O)Cn1cc(C[NH+]2CCC([N@@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000036741491 558802197 /nfs/dbraw/zinc/80/21/97/558802197.db2.gz JXWNHFLGELANPH-FQEVSTJZSA-N 2 1 410.606 3.862 40 0 HHABMP CC(C)NC(=O)Cn1cc(C[NH+]2CCC([N@H+]3CCC[C@H](C)C3)CC2)c2ccccc21 ZINC000036741491 558802199 /nfs/dbraw/zinc/80/21/99/558802199.db2.gz JXWNHFLGELANPH-FQEVSTJZSA-N 2 1 410.606 3.862 40 0 HHABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@@H](O)COC1CCCCC1 ZINC000585272669 559118041 /nfs/dbraw/zinc/11/80/41/559118041.db2.gz LVVZCSLAFZUBAL-JOCHJYFZSA-N 2 1 404.595 3.693 40 0 HHABMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000224799510 568597218 /nfs/dbraw/zinc/59/72/18/568597218.db2.gz PJUOMQQXRPGQFS-HSZRJFAPSA-N 2 1 409.549 3.950 40 0 HHABMP CC1CC[NH+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000225582727 568654086 /nfs/dbraw/zinc/65/40/86/568654086.db2.gz CUOGFNYADZSUBN-UHFFFAOYSA-N 2 1 409.977 3.929 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(C)s4)CC2)C[N@@H+](C)C3)cc1 ZINC000306126598 568889339 /nfs/dbraw/zinc/88/93/39/568889339.db2.gz DZVKZQAQTDYRSF-UHFFFAOYSA-N 2 1 423.586 3.760 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(C)s4)CC2)C[N@H+](C)C3)cc1 ZINC000306126598 568889341 /nfs/dbraw/zinc/88/93/41/568889341.db2.gz DZVKZQAQTDYRSF-UHFFFAOYSA-N 2 1 423.586 3.760 40 0 HHABMP CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)CC1 ZINC000038831690 558816927 /nfs/dbraw/zinc/81/69/27/558816927.db2.gz CXRIVQCLCXTMPW-UHFFFAOYSA-N 2 1 421.585 3.681 40 0 HHABMP COc1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2)ccc1OCC[NH+]1CCC(C)CC1 ZINC000585271030 559116633 /nfs/dbraw/zinc/11/66/33/559116633.db2.gz DFIYZJSMGMBCRC-HSZRJFAPSA-N 2 1 412.574 3.971 40 0 HHABMP C[N@H+](Cc1cccc(OCC[NH+]2CCCCC2)c1)C[C@H](O)Cn1ccc2ccccc21 ZINC000585274372 559118695 /nfs/dbraw/zinc/11/86/95/559118695.db2.gz VSAYJCOTSUQKNL-DEOSSOPVSA-N 2 1 421.585 3.999 40 0 HHABMP Cc1cnccc1C[NH+]1CCC([C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000019239503 558858058 /nfs/dbraw/zinc/85/80/58/558858058.db2.gz JYFAVJMKALYGLJ-NFBKMPQASA-N 2 1 410.537 3.700 40 0 HHABMP Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)cc1 ZINC000585270960 559116437 /nfs/dbraw/zinc/11/64/37/559116437.db2.gz DWDHDHWKKOXDTI-RUZDIDTESA-N 2 1 412.574 3.731 40 0 HHABMP CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000026441157 568549503 /nfs/dbraw/zinc/54/95/03/568549503.db2.gz UCIWSJYQLBTJRC-FQEVSTJZSA-N 2 1 414.623 3.822 40 0 HHABMP Cc1cnccc1C[NH+]1CCC([C@@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+]2C)CC1 ZINC000036734297 558801165 /nfs/dbraw/zinc/80/11/65/558801165.db2.gz JYFAVJMKALYGLJ-OFNKIYASSA-N 2 1 410.537 3.700 40 0 HHABMP CC(=O)N1CC[N@H+](Cc2ccccc2OCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000257343124 559283503 /nfs/dbraw/zinc/28/35/03/559283503.db2.gz ZRODUBRVNYUCSK-DEOSSOPVSA-N 2 1 407.558 3.567 40 0 HHABMP CC(=O)N1CC[N@@H+](Cc2ccccc2OCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000257343124 559283505 /nfs/dbraw/zinc/28/35/05/559283505.db2.gz ZRODUBRVNYUCSK-DEOSSOPVSA-N 2 1 407.558 3.567 40 0 HHABMP C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000257219151 568781565 /nfs/dbraw/zinc/78/15/65/568781565.db2.gz DFUUVBXEAOPRTR-HSZRJFAPSA-N 2 1 409.549 3.596 40 0 HHABMP C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000257219151 568781566 /nfs/dbraw/zinc/78/15/66/568781566.db2.gz DFUUVBXEAOPRTR-HSZRJFAPSA-N 2 1 409.549 3.596 40 0 HHABMP C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000257219152 568781594 /nfs/dbraw/zinc/78/15/94/568781594.db2.gz DFUUVBXEAOPRTR-QHCPKHFHSA-N 2 1 409.549 3.596 40 0 HHABMP C[NH+]1CCC(Cc2ccc(F)cc2)(C(=O)N2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000257219152 568781596 /nfs/dbraw/zinc/78/15/96/568781596.db2.gz DFUUVBXEAOPRTR-QHCPKHFHSA-N 2 1 409.549 3.596 40 0 HHABMP Cc1ccsc1C[NH+]1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306126946 568889823 /nfs/dbraw/zinc/88/98/23/568889823.db2.gz FJSHUETZNQFHKQ-UHFFFAOYSA-N 2 1 411.550 3.891 40 0 HHABMP Cc1ccsc1C[NH+]1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccc(F)cc3)n12 ZINC000306126946 568889825 /nfs/dbraw/zinc/88/98/25/568889825.db2.gz FJSHUETZNQFHKQ-UHFFFAOYSA-N 2 1 411.550 3.891 40 0 HHABMP COc1cccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306130420 568892885 /nfs/dbraw/zinc/89/28/85/568892885.db2.gz JFWREZRNWNPHOL-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP COc1cccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)c1 ZINC000306130420 568892887 /nfs/dbraw/zinc/89/28/87/568892887.db2.gz JFWREZRNWNPHOL-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000012147629 558338411 /nfs/dbraw/zinc/33/84/11/558338411.db2.gz FBQPHYXHHXTJBY-UHFFFAOYSA-N 2 1 406.505 3.947 40 0 HHABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656965 558949638 /nfs/dbraw/zinc/94/96/38/558949638.db2.gz VTMIBDFSEDRLKO-GOSISDBHSA-N 2 1 404.493 3.953 40 0 HHABMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656965 558949639 /nfs/dbraw/zinc/94/96/39/558949639.db2.gz VTMIBDFSEDRLKO-GOSISDBHSA-N 2 1 404.493 3.953 40 0 HHABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658113 558949949 /nfs/dbraw/zinc/94/99/49/558949949.db2.gz AEKPHHNYPVFFGY-IBGZPJMESA-N 2 1 405.502 3.730 40 0 HHABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C1 ZINC000019658113 558949953 /nfs/dbraw/zinc/94/99/53/558949953.db2.gz AEKPHHNYPVFFGY-IBGZPJMESA-N 2 1 405.502 3.730 40 0 HHABMP C[C@@H]1CCC[NH+](CCCc2nnc(CCC[N@@H+]3CCC[C@H](C)C3)n2-n2cccc2)C1 ZINC000260574292 560869356 /nfs/dbraw/zinc/86/93/56/560869356.db2.gz ROZSEDAVSKYEFJ-SZPZYZBQSA-N 2 1 412.626 3.720 40 0 HHABMP C[C@@H]1CCC[N@@H+](CCCc2nnc(CCC[NH+]3CCC[C@H](C)C3)n2-n2cccc2)C1 ZINC000260574292 560869357 /nfs/dbraw/zinc/86/93/57/560869357.db2.gz ROZSEDAVSKYEFJ-SZPZYZBQSA-N 2 1 412.626 3.720 40 0 HHABMP C[C@@H]1CCC[N@H+](CCCc2nnc(CCC[NH+]3CCC[C@H](C)C3)n2-n2cccc2)C1 ZINC000260574292 560869358 /nfs/dbraw/zinc/86/93/58/560869358.db2.gz ROZSEDAVSKYEFJ-SZPZYZBQSA-N 2 1 412.626 3.720 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(C)c4)CC2)C[N@@H+](C)C3)cc1 ZINC000306139111 568900907 /nfs/dbraw/zinc/90/09/07/568900907.db2.gz SPTOPJBODSKDSK-UHFFFAOYSA-N 2 1 417.557 3.699 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4cccc(C)c4)CC2)C[N@H+](C)C3)cc1 ZINC000306139111 568900908 /nfs/dbraw/zinc/90/09/08/568900908.db2.gz SPTOPJBODSKDSK-UHFFFAOYSA-N 2 1 417.557 3.699 40 0 HHABMP O=C(Nc1ccccc1)N1C[C@H]2C[NH+](C3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2C1 ZINC000096245603 559105198 /nfs/dbraw/zinc/10/51/98/559105198.db2.gz XURVPRVMHGUASP-FGZHOGPDSA-N 2 1 404.558 3.747 40 0 HHABMP CCC1CC[NH+](CCC2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000100226867 559132523 /nfs/dbraw/zinc/13/25/23/559132523.db2.gz QVDXEXLOCQBRJT-QFIPXVFZSA-N 2 1 415.553 3.682 40 0 HHABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306134510 568896485 /nfs/dbraw/zinc/89/64/85/568896485.db2.gz NPKTYADGULHNIR-UHFFFAOYSA-N 2 1 409.484 3.660 40 0 HHABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000306134510 568896487 /nfs/dbraw/zinc/89/64/87/568896487.db2.gz NPKTYADGULHNIR-UHFFFAOYSA-N 2 1 409.484 3.660 40 0 HHABMP COc1ccc(NC(=O)[C@@H]2C[C@H](C3CC[NH+](Cc4ccsc4)CC3)[N@@H+](C)C2)cc1 ZINC000019587759 558940155 /nfs/dbraw/zinc/94/01/55/558940155.db2.gz IYRPUHSASFTWDW-DENIHFKCSA-N 2 1 413.587 3.928 40 0 HHABMP CCc1[nH+]ccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257241161 568787886 /nfs/dbraw/zinc/78/78/86/568787886.db2.gz HWVOCHOSIRMAKC-CZLVRFMKSA-N 2 1 406.574 3.578 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(F)cc4)CC2)C[N@@H+](C)C3)cc1 ZINC000306135434 568897166 /nfs/dbraw/zinc/89/71/66/568897166.db2.gz OQMQACZSVDEPOW-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](Cc4ccc(F)cc4)CC2)C[N@H+](C)C3)cc1 ZINC000306135434 568897169 /nfs/dbraw/zinc/89/71/69/568897169.db2.gz OQMQACZSVDEPOW-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP COc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)cc1 ZINC000306136141 568897903 /nfs/dbraw/zinc/89/79/03/568897903.db2.gz PKMQQOVKSXEHAO-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP COc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)cc1 ZINC000306136141 568897904 /nfs/dbraw/zinc/89/79/04/568897904.db2.gz PKMQQOVKSXEHAO-UHFFFAOYSA-N 2 1 421.520 3.530 40 0 HHABMP O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850741 558818850 /nfs/dbraw/zinc/81/88/50/558818850.db2.gz ZHGOXBOKEJTHOV-QFIPXVFZSA-N 2 1 411.977 3.896 40 0 HHABMP O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850741 558818851 /nfs/dbraw/zinc/81/88/51/558818851.db2.gz ZHGOXBOKEJTHOV-QFIPXVFZSA-N 2 1 411.977 3.896 40 0 HHABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(F)cc1)CC3 ZINC000096036318 559090031 /nfs/dbraw/zinc/09/00/31/559090031.db2.gz YKEAPKUGPRIKNR-WIOPSUGQSA-N 2 1 413.581 3.762 40 0 HHABMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@](O)(COc3ccccc3F)CC2)cc1 ZINC000585270270 559116294 /nfs/dbraw/zinc/11/62/94/559116294.db2.gz AYXLZOMWOLUFPK-XMMPIXPASA-N 2 1 416.537 3.562 40 0 HHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)s1 ZINC000306140929 568902645 /nfs/dbraw/zinc/90/26/45/568902645.db2.gz VGYFCKFOSPWEFB-UHFFFAOYSA-N 2 1 411.550 3.891 40 0 HHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccc(F)cc4)n23)s1 ZINC000306140929 568902646 /nfs/dbraw/zinc/90/26/46/568902646.db2.gz VGYFCKFOSPWEFB-UHFFFAOYSA-N 2 1 411.550 3.891 40 0 HHABMP C[NH+](C)CCNc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C2CC2)n1 ZINC000329015876 568972743 /nfs/dbraw/zinc/97/27/43/568972743.db2.gz NDBLIXGAPSMTNH-UHFFFAOYSA-N 2 1 416.367 3.653 40 0 HHABMP COc1ccc(NC(=O)[C@H]2C[C@H](C3CC[NH+](Cc4ccsc4)CC3)[N@@H+](C)C2)cc1 ZINC000019587761 558940164 /nfs/dbraw/zinc/94/01/64/558940164.db2.gz IYRPUHSASFTWDW-SIKLNZKXSA-N 2 1 413.587 3.928 40 0 HHABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccsc1)CC3 ZINC000096036315 559090007 /nfs/dbraw/zinc/09/00/07/559090007.db2.gz XLQDZEVIHZDOSR-NZQKXSOJSA-N 2 1 401.620 3.685 40 0 HHABMP Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N4CC[NH+](C)CC4)c4ccccc43)CC2)o1 ZINC000096052932 559092709 /nfs/dbraw/zinc/09/27/09/559092709.db2.gz UTVRVHCNYLINGY-OAQYLSRUSA-N 2 1 421.585 3.773 40 0 HHABMP C[C@@H]1CCC[NH+](CCCc2nnc(CCC[N@@H+]3CCC[C@@H](C)C3)n2-n2cccc2)C1 ZINC000225152662 568618371 /nfs/dbraw/zinc/61/83/71/568618371.db2.gz ROZSEDAVSKYEFJ-FGZHOGPDSA-N 2 1 412.626 3.720 40 0 HHABMP C[C@@H]1CCC[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588088 568655045 /nfs/dbraw/zinc/65/50/45/568655045.db2.gz GEDYOODNJVDOHK-QGZVFWFLSA-N 2 1 409.977 3.929 40 0 HHABMP C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)C1 ZINC000225588088 568655049 /nfs/dbraw/zinc/65/50/49/568655049.db2.gz GEDYOODNJVDOHK-QGZVFWFLSA-N 2 1 409.977 3.929 40 0 HHABMP c1ccc(C[NH+]2CCCN(c3nccc(C[N@@H+]4CCc5ccccc5C4)n3)CC2)cc1 ZINC000072341240 558939479 /nfs/dbraw/zinc/93/94/79/558939479.db2.gz PTPVWMFFRLNDAK-UHFFFAOYSA-N 2 1 413.569 3.747 40 0 HHABMP c1ccc(C[NH+]2CCCN(c3nccc(C[N@H+]4CCc5ccccc5C4)n3)CC2)cc1 ZINC000072341240 558939483 /nfs/dbraw/zinc/93/94/83/558939483.db2.gz PTPVWMFFRLNDAK-UHFFFAOYSA-N 2 1 413.569 3.747 40 0 HHABMP c1ccc(C[N@H+]2CCCN(c3nccc(C[NH+]4CCc5ccccc5C4)n3)CC2)cc1 ZINC000072341240 558939489 /nfs/dbraw/zinc/93/94/89/558939489.db2.gz PTPVWMFFRLNDAK-UHFFFAOYSA-N 2 1 413.569 3.747 40 0 HHABMP c1ccc(C[N@@H+]2CCCN(c3nccc(C[NH+]4CCc5ccccc5C4)n3)CC2)cc1 ZINC000072341240 558939493 /nfs/dbraw/zinc/93/94/93/558939493.db2.gz PTPVWMFFRLNDAK-UHFFFAOYSA-N 2 1 413.569 3.747 40 0 HHABMP C[NH+]1CCN(C(=O)C[C@@H]2CC3(CC[NH+](Cc4cccs4)CC3)c3ccccc32)CC1 ZINC000096052923 559092719 /nfs/dbraw/zinc/09/27/19/559092719.db2.gz POPYUMQXHBTUKG-HXUWFJFHSA-N 2 1 423.626 3.933 40 0 HHABMP Cc1[nH+]ccn1CCOc1ccc(C[N@@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585272746 559118175 /nfs/dbraw/zinc/11/81/75/559118175.db2.gz JHSAFSWGHOOBJK-VWLOTQADSA-N 2 1 421.541 3.676 40 0 HHABMP Cc1[nH+]ccn1CCOc1ccc(C[N@H+]2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000585272746 559118176 /nfs/dbraw/zinc/11/81/76/559118176.db2.gz JHSAFSWGHOOBJK-VWLOTQADSA-N 2 1 421.541 3.676 40 0 HHABMP CC[NH+](CC)CCC[NH2+]Cc1cc2c([nH]c1=O)n(-c1ccccc1)nc2C(C)(C)C ZINC000057762016 568860044 /nfs/dbraw/zinc/86/00/44/568860044.db2.gz DLYBBKHHRHGQNW-UHFFFAOYSA-N 2 1 409.578 3.833 40 0 HHABMP CC(C)C[NH+]1CCC2(CCC[N@@H+](Cc3cccs3)[C@@H]2CNC(=O)N(C)C)CC1 ZINC000306133294 568895440 /nfs/dbraw/zinc/89/54/40/568895440.db2.gz MHSYEFDQPGIDJI-HXUWFJFHSA-N 2 1 406.640 3.722 40 0 HHABMP COc1ccc(NC(=O)[C@@H]2C[C@@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@@H+](C)C2)cc1 ZINC000019216575 558850399 /nfs/dbraw/zinc/85/03/99/558850399.db2.gz RTNJXWGHXBAIJY-XXBNENTESA-N 2 1 411.546 3.768 40 0 HHABMP COc1ccc(NC(=O)[C@H]2C[C@H](C3CC[NH+](Cc4ccc(C)o4)CC3)[N@@H+](C)C2)cc1 ZINC000019216581 558850467 /nfs/dbraw/zinc/85/04/67/558850467.db2.gz RTNJXWGHXBAIJY-WMZHIEFXSA-N 2 1 411.546 3.768 40 0 HHABMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656967 558949741 /nfs/dbraw/zinc/94/97/41/558949741.db2.gz VTMIBDFSEDRLKO-SFHVURJKSA-N 2 1 404.493 3.953 40 0 HHABMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+](Cc2c(-c3ccc(F)cc3)nc3ncccn23)C1 ZINC000019656967 558949743 /nfs/dbraw/zinc/94/97/43/558949743.db2.gz VTMIBDFSEDRLKO-SFHVURJKSA-N 2 1 404.493 3.953 40 0 HHABMP CN1CCC([NH2+][C@H]2C[C@@H](Cc3cc(C[N@H+](C)Cc4ccccc4)on3)C2(C)C)CC1 ZINC000067889953 291250713 /nfs/dbraw/zinc/25/07/13/291250713.db2.gz XITFHLMMWYFECE-YKSBVNFPSA-N 2 1 410.606 3.948 40 0 biogenic,in-vitro HHABMP CN1CCC([NH2+][C@H]2C[C@@H](Cc3cc(C[N@@H+](C)Cc4ccccc4)on3)C2(C)C)CC1 ZINC000067889953 291250714 /nfs/dbraw/zinc/25/07/14/291250714.db2.gz XITFHLMMWYFECE-YKSBVNFPSA-N 2 1 410.606 3.948 40 0 biogenic,in-vitro HHABMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038831122 558816502 /nfs/dbraw/zinc/81/65/02/558816502.db2.gz HHSPCHCUKJXFGM-HSZRJFAPSA-N 2 1 409.549 3.950 40 0 HHABMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038831676 558816848 /nfs/dbraw/zinc/81/68/48/558816848.db2.gz DHLWTEIBZJRTDK-UHFFFAOYSA-N 2 1 421.585 3.825 40 0 HHABMP Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225298306 568628563 /nfs/dbraw/zinc/62/85/63/568628563.db2.gz DWPCYSRYDJWZFP-UHFFFAOYSA-N 2 1 404.514 3.965 40 0 HHABMP CCc1[nH+]ccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@@H]2Cc1ccccc1 ZINC000257269544 568795554 /nfs/dbraw/zinc/79/55/54/568795554.db2.gz MQKQAKOXFDZKCK-KDHQNNTKSA-N 2 1 420.601 3.921 40 0 HHABMP CCc1[nH+]ccn1CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@@H]2Cc1ccccc1 ZINC000257269544 568795555 /nfs/dbraw/zinc/79/55/55/568795555.db2.gz MQKQAKOXFDZKCK-KDHQNNTKSA-N 2 1 420.601 3.921 40 0 HHABMP