smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164705728 719871637 /nfs/dbraw/zinc/87/16/37/719871637.db2.gz OCWRWKKGYPETHG-UGKGYDQZSA-N 2 2 402.539 1.909 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001164705728 719871638 /nfs/dbraw/zinc/87/16/38/719871638.db2.gz OCWRWKKGYPETHG-UGKGYDQZSA-N 2 2 402.539 1.909 20 0 HDADLP Cc1c[nH+]c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1NC(C)C ZINC001164715042 720163608 /nfs/dbraw/zinc/16/36/08/720163608.db2.gz SFZJCMIEAFBEJL-SFHVURJKSA-N 2 2 414.558 1.950 20 0 HDADLP Cn1nnc2c1CCN(c1nc(N3CCCC3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716487 720163954 /nfs/dbraw/zinc/16/39/54/720163954.db2.gz ZSZSDAKMPLTFLG-SFHVURJKSA-N 2 2 412.542 1.422 20 0 HDADLP CN(C)c1cccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164824127 720435580 /nfs/dbraw/zinc/43/55/80/720435580.db2.gz MKVLTVNPFGUKGT-QGZVFWFLSA-N 2 2 400.527 1.334 20 0 HDADLP COc1c[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1NC(C)C ZINC001164754217 720944201 /nfs/dbraw/zinc/94/42/01/720944201.db2.gz UNPUBBTUXDQRLP-UHFFFAOYSA-N 2 2 403.487 1.148 20 0 HDADLP CCc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164783446 721418941 /nfs/dbraw/zinc/41/89/41/721418941.db2.gz IQEAXEJFNSRRDK-HZPDHXFCSA-N 2 2 400.552 1.900 20 0 HDADLP CC(C)C(=O)N[C@H]1COCCC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164895589 721501565 /nfs/dbraw/zinc/50/15/65/721501565.db2.gz CYOHOFWBLGJZAY-IBGZPJMESA-N 2 2 415.582 1.981 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164801323 721529635 /nfs/dbraw/zinc/52/96/35/721529635.db2.gz DXJVDYGSFKGSGU-QTEQDKRBSA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164801323 721529639 /nfs/dbraw/zinc/52/96/39/721529639.db2.gz DXJVDYGSFKGSGU-QTEQDKRBSA-N 2 2 423.565 1.492 20 0 HDADLP CCN(C)c1cc(C)[nH+]c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911134 721766521 /nfs/dbraw/zinc/76/65/21/721766521.db2.gz MUNSAMQBQAGGJO-QFIPXVFZSA-N 2 2 412.538 1.744 20 0 HDADLP CCN(C)c1cc(C)[nH+]c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911134 721766525 /nfs/dbraw/zinc/76/65/25/721766525.db2.gz MUNSAMQBQAGGJO-QFIPXVFZSA-N 2 2 412.538 1.744 20 0 HDADLP c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164938089 721913581 /nfs/dbraw/zinc/91/35/81/721913581.db2.gz WEMFZCLLXQRQDS-IYBDPMFKSA-N 2 2 412.563 1.831 20 0 HDADLP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)c1 ZINC001164938089 721913585 /nfs/dbraw/zinc/91/35/85/721913585.db2.gz WEMFZCLLXQRQDS-IYBDPMFKSA-N 2 2 412.563 1.831 20 0 HDADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997584 722233275 /nfs/dbraw/zinc/23/32/75/722233275.db2.gz REVIAIYMLQBBQF-UHFFFAOYSA-N 2 2 410.522 1.632 20 0 HDADLP Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C1 ZINC001165003070 722243915 /nfs/dbraw/zinc/24/39/15/722243915.db2.gz HNPTWCCXOXYJCH-AZUAARDMSA-N 2 2 424.549 1.149 20 0 HDADLP CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669207 1073622544 /nfs/dbraw/zinc/62/25/44/1073622544.db2.gz FKUJFDZVZSSGKR-OAQYLSRUSA-N 2 2 400.567 1.888 20 0 HDADLP CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669207 1073622550 /nfs/dbraw/zinc/62/25/50/1073622550.db2.gz FKUJFDZVZSSGKR-OAQYLSRUSA-N 2 2 400.567 1.888 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670113 1073624750 /nfs/dbraw/zinc/62/47/50/1073624750.db2.gz QWASFTGMSUWCPD-NRFANRHFSA-N 3 2 414.598 1.221 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670113 1073624753 /nfs/dbraw/zinc/62/47/53/1073624753.db2.gz QWASFTGMSUWCPD-NRFANRHFSA-N 3 2 414.598 1.221 20 0 HDADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000673672473 1073626888 /nfs/dbraw/zinc/62/68/88/1073626888.db2.gz ICOQYMUFYQWJDW-FCHUYYIVSA-N 2 2 400.567 1.564 20 0 HDADLP COc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Cn1cccn1 ZINC000766021416 1073657694 /nfs/dbraw/zinc/65/76/94/1073657694.db2.gz ABHROBOAITZNRS-DENIHFKCSA-N 2 2 413.566 1.997 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1 ZINC000674274352 1074254357 /nfs/dbraw/zinc/25/43/57/1074254357.db2.gz NYOZUZFMOIUCGV-KRWDZBQOSA-N 2 2 407.509 1.965 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1 ZINC000674274352 1074254362 /nfs/dbraw/zinc/25/43/62/1074254362.db2.gz NYOZUZFMOIUCGV-KRWDZBQOSA-N 2 2 407.509 1.965 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000674330390 1074285924 /nfs/dbraw/zinc/28/59/24/1074285924.db2.gz ILTBYBVQTSVSDV-SFHVURJKSA-N 2 2 404.559 1.856 20 0 HDADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674369084 1074298209 /nfs/dbraw/zinc/29/82/09/1074298209.db2.gz WVHSCUOOMXCZGA-VQTJNVASSA-N 2 2 419.566 1.705 20 0 HDADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674369084 1074298215 /nfs/dbraw/zinc/29/82/15/1074298215.db2.gz WVHSCUOOMXCZGA-VQTJNVASSA-N 2 2 419.566 1.705 20 0 HDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668306 1074518835 /nfs/dbraw/zinc/51/88/35/1074518835.db2.gz XPPNICPOZVMTCB-APWZRJJASA-N 2 2 407.580 1.821 20 0 HDADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668306 1074518841 /nfs/dbraw/zinc/51/88/41/1074518841.db2.gz XPPNICPOZVMTCB-APWZRJJASA-N 2 2 407.580 1.821 20 0 HDADLP COc1cc(OC)cc(OCCCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000674699983 1074528679 /nfs/dbraw/zinc/52/86/79/1074528679.db2.gz XWGADZKVRSTVOH-QGZVFWFLSA-N 2 2 420.554 1.940 20 0 HDADLP COc1cc(OC)cc(OCCCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000674699983 1074528687 /nfs/dbraw/zinc/52/86/87/1074528687.db2.gz XWGADZKVRSTVOH-QGZVFWFLSA-N 2 2 420.554 1.940 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101828 1074718426 /nfs/dbraw/zinc/71/84/26/1074718426.db2.gz APXAGMSDHTZARH-HOTGVXAUSA-N 2 2 406.962 1.781 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101828 1074718433 /nfs/dbraw/zinc/71/84/33/1074718433.db2.gz APXAGMSDHTZARH-HOTGVXAUSA-N 2 2 406.962 1.781 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000477081847 1074788894 /nfs/dbraw/zinc/78/88/94/1074788894.db2.gz NEUWXFFPOFJKJF-JBACZVJFSA-N 3 2 423.646 1.629 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000477081847 1074788901 /nfs/dbraw/zinc/78/89/01/1074788901.db2.gz NEUWXFFPOFJKJF-JBACZVJFSA-N 3 2 423.646 1.629 20 0 HDADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507125182 1074805326 /nfs/dbraw/zinc/80/53/26/1074805326.db2.gz HHFGXPPUGMRZKF-UHFFFAOYSA-N 2 2 401.430 1.767 20 0 HDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499604 1075180454 /nfs/dbraw/zinc/18/04/54/1075180454.db2.gz NWTORRRONJSJPL-JKSUJKDBSA-N 2 2 417.535 1.117 20 0 HDADLP Cc1cc(NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)n(C2CC[NH+](C)CC2)n1 ZINC000470397427 1075198948 /nfs/dbraw/zinc/19/89/48/1075198948.db2.gz KMVAASFWEJUUTA-UHFFFAOYSA-N 2 2 416.530 1.631 20 0 HDADLP CCOc1ccccc1C(=O)NCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605086 1075222024 /nfs/dbraw/zinc/22/20/24/1075222024.db2.gz IFPIGGRSKVNOEX-SFHVURJKSA-N 2 2 402.539 1.442 20 0 HDADLP CCOc1ccccc1C(=O)NCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605086 1075222026 /nfs/dbraw/zinc/22/20/26/1075222026.db2.gz IFPIGGRSKVNOEX-SFHVURJKSA-N 2 2 402.539 1.442 20 0 HDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675885443 1075289162 /nfs/dbraw/zinc/28/91/62/1075289162.db2.gz ALYYLSZTSIFZCC-ICSRJNTNSA-N 2 2 422.595 1.284 20 0 HDADLP COC(=O)c1cnoc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000509373187 1075289744 /nfs/dbraw/zinc/28/97/44/1075289744.db2.gz OIAJOFSDQHTOAE-UHFFFAOYSA-N 2 2 414.506 1.921 20 0 HDADLP COC(=O)c1cnoc1C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000509373187 1075289750 /nfs/dbraw/zinc/28/97/50/1075289750.db2.gz OIAJOFSDQHTOAE-UHFFFAOYSA-N 2 2 414.506 1.921 20 0 HDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000675887182 1075289795 /nfs/dbraw/zinc/28/97/95/1075289795.db2.gz YVJSQOIBULDLBM-MSOLQXFVSA-N 2 2 420.554 1.417 20 0 HDADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089704 1075372047 /nfs/dbraw/zinc/37/20/47/1075372047.db2.gz JALQIPJPWZVSHX-UHFFFAOYSA-N 2 2 401.430 1.767 20 0 HDADLP C[NH+](C)C1CCN(c2ccc(NCc3cnc(N4CC[NH+](C)CC4)nc3)[nH+]c2)CC1 ZINC000676201766 1075435013 /nfs/dbraw/zinc/43/50/13/1075435013.db2.gz KQFAUSIKBHBUSF-UHFFFAOYSA-N 3 2 410.570 1.766 20 0 HDADLP C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000731680741 1075464146 /nfs/dbraw/zinc/46/41/46/1075464146.db2.gz UUTGZJVPNWXDMY-QGZVFWFLSA-N 2 2 422.595 1.241 20 0 HDADLP C[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000731680741 1075464150 /nfs/dbraw/zinc/46/41/50/1075464150.db2.gz UUTGZJVPNWXDMY-QGZVFWFLSA-N 2 2 422.595 1.241 20 0 HDADLP CC[N@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731758883 1075514226 /nfs/dbraw/zinc/51/42/26/1075514226.db2.gz JOJQNXGJLUGWLB-UHFFFAOYSA-N 2 2 410.584 1.447 20 0 HDADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731758883 1075514228 /nfs/dbraw/zinc/51/42/28/1075514228.db2.gz JOJQNXGJLUGWLB-UHFFFAOYSA-N 2 2 410.584 1.447 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000731761506 1075515336 /nfs/dbraw/zinc/51/53/36/1075515336.db2.gz PEPSLVIRSUITKI-UHFFFAOYSA-N 2 2 400.589 1.013 20 0 HDADLP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731761681 1075516002 /nfs/dbraw/zinc/51/60/02/1075516002.db2.gz YLUFDEGNAPLFIZ-UHFFFAOYSA-N 2 2 410.584 1.399 20 0 HDADLP CCc1ccc([C@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[NH+](C)C)cc1 ZINC000438321410 1075524133 /nfs/dbraw/zinc/52/41/33/1075524133.db2.gz MCEWVDQAIQFMFD-FQEVSTJZSA-N 2 2 414.554 2.202 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000676501852 1075570611 /nfs/dbraw/zinc/57/06/11/1075570611.db2.gz WBMOZMNTYFZXNL-CRAIPNDOSA-N 2 2 402.539 1.986 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000676501852 1075570615 /nfs/dbraw/zinc/57/06/15/1075570615.db2.gz WBMOZMNTYFZXNL-CRAIPNDOSA-N 2 2 402.539 1.986 20 0 HDADLP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441071661 1075608720 /nfs/dbraw/zinc/60/87/20/1075608720.db2.gz IFRAXMPGVLRGAV-QZTJIDSGSA-N 2 2 418.501 2.327 20 0 HDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000441071661 1075608727 /nfs/dbraw/zinc/60/87/27/1075608727.db2.gz IFRAXMPGVLRGAV-QZTJIDSGSA-N 2 2 418.501 2.327 20 0 HDADLP COc1ccc([C@@H](CNC(=O)CSc2nc(N)cc(N)[nH+]2)[NH+]2CCCCC2)cc1 ZINC000551036944 1075628042 /nfs/dbraw/zinc/62/80/42/1075628042.db2.gz DHEYCBIOHBXOHD-MRXNPFEDSA-N 2 2 416.551 2.085 20 0 HDADLP CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732560229 1075785953 /nfs/dbraw/zinc/78/59/53/1075785953.db2.gz WSWMTPJRYURKOE-IBGZPJMESA-N 2 2 414.550 1.819 20 0 HDADLP CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732560229 1075785957 /nfs/dbraw/zinc/78/59/57/1075785957.db2.gz WSWMTPJRYURKOE-IBGZPJMESA-N 2 2 414.550 1.819 20 0 HDADLP C[C@H](c1cccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1)[NH+]1CCOCC1 ZINC000439626377 1075790185 /nfs/dbraw/zinc/79/01/85/1075790185.db2.gz WXNCRZQJWBHVLA-MRXNPFEDSA-N 2 2 420.473 2.238 20 0 HDADLP CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732779557 1075851645 /nfs/dbraw/zinc/85/16/45/1075851645.db2.gz WDOKONOCWKKALD-CQSZACIVSA-N 2 2 412.531 1.022 20 0 HDADLP CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732779557 1075851649 /nfs/dbraw/zinc/85/16/49/1075851649.db2.gz WDOKONOCWKKALD-CQSZACIVSA-N 2 2 412.531 1.022 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1 ZINC000732780555 1075864164 /nfs/dbraw/zinc/86/41/64/1075864164.db2.gz KURAKVUDVNTSMU-INIZCTEOSA-N 2 2 424.542 1.165 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1 ZINC000732780555 1075864167 /nfs/dbraw/zinc/86/41/67/1075864167.db2.gz KURAKVUDVNTSMU-INIZCTEOSA-N 2 2 424.542 1.165 20 0 HDADLP Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780089 1075864335 /nfs/dbraw/zinc/86/43/35/1075864335.db2.gz IBWWUTBMAZKWDP-KRWDZBQOSA-N 2 2 414.579 1.827 20 0 HDADLP Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780089 1075864340 /nfs/dbraw/zinc/86/43/40/1075864340.db2.gz IBWWUTBMAZKWDP-KRWDZBQOSA-N 2 2 414.579 1.827 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1 ZINC000732780909 1075865312 /nfs/dbraw/zinc/86/53/12/1075865312.db2.gz NGEZGXHIJMMILR-IBGZPJMESA-N 2 2 402.539 1.978 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1 ZINC000732780909 1075865314 /nfs/dbraw/zinc/86/53/14/1075865314.db2.gz NGEZGXHIJMMILR-IBGZPJMESA-N 2 2 402.539 1.978 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732780985 1075865389 /nfs/dbraw/zinc/86/53/89/1075865389.db2.gz NZYHKBWXTWYGOQ-CYBMUJFWSA-N 2 2 406.581 1.580 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732780985 1075865395 /nfs/dbraw/zinc/86/53/95/1075865395.db2.gz NZYHKBWXTWYGOQ-CYBMUJFWSA-N 2 2 406.581 1.580 20 0 HDADLP Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000733154480 1075988563 /nfs/dbraw/zinc/98/85/63/1075988563.db2.gz HZAAVODXJDGPMW-QGZVFWFLSA-N 2 2 414.554 1.048 20 0 HDADLP Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000733154480 1075988567 /nfs/dbraw/zinc/98/85/67/1075988567.db2.gz HZAAVODXJDGPMW-QGZVFWFLSA-N 2 2 414.554 1.048 20 0 HDADLP Cc1ccccc1[C@@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000728045937 1076318808 /nfs/dbraw/zinc/31/88/08/1076318808.db2.gz SXMGMEQBKNFXTF-JOCHJYFZSA-N 2 2 400.523 1.764 20 0 HDADLP C[N@H+](CCc1ccc(Br)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000730255669 1076500234 /nfs/dbraw/zinc/50/02/34/1076500234.db2.gz WLJOJYMGSORBPR-UHFFFAOYSA-N 2 2 409.328 1.897 20 0 HDADLP C[N@@H+](CCc1ccc(Br)cc1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000730255669 1076500242 /nfs/dbraw/zinc/50/02/42/1076500242.db2.gz WLJOJYMGSORBPR-UHFFFAOYSA-N 2 2 409.328 1.897 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CCC[N@@H+]4CC(=O)NC)CC3)c12 ZINC001164686325 719707627 /nfs/dbraw/zinc/70/76/27/719707627.db2.gz ZHMQDDWNFDSVDU-UHFFFAOYSA-N 2 2 400.483 1.315 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)c12 ZINC001164686325 719707642 /nfs/dbraw/zinc/70/76/42/719707642.db2.gz ZHMQDDWNFDSVDU-UHFFFAOYSA-N 2 2 400.483 1.315 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164704139 719860828 /nfs/dbraw/zinc/86/08/28/719860828.db2.gz RTRINJAWHOLFSZ-XMSQKQJNSA-N 2 2 417.554 1.066 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164702337 719867353 /nfs/dbraw/zinc/86/73/53/719867353.db2.gz ILACOSYXRMXEND-UGKGYDQZSA-N 2 2 402.539 1.910 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164702336 719867579 /nfs/dbraw/zinc/86/75/79/719867579.db2.gz ILACOSYXRMXEND-SIKLNZKXSA-N 2 2 402.539 1.910 20 0 HDADLP C[NH+]1CCN(c2cccc(N3Cc4ccnn4C[C@@H](C(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164819845 720266282 /nfs/dbraw/zinc/26/62/82/720266282.db2.gz SLJHZUFRCWCTSD-SFHVURJKSA-N 2 2 409.538 1.289 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001164825835 720296360 /nfs/dbraw/zinc/29/63/60/720296360.db2.gz TZYXGGFZVOGLAH-RBUKOAKNSA-N 2 2 414.554 1.225 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001164825835 720296366 /nfs/dbraw/zinc/29/63/66/720296366.db2.gz TZYXGGFZVOGLAH-RBUKOAKNSA-N 2 2 414.554 1.225 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4nnc(Cn5cc[nH+]c5)c4C3)c2)CC1 ZINC001164829386 720398859 /nfs/dbraw/zinc/39/88/59/720398859.db2.gz MURHKVKAJDCDLK-UHFFFAOYSA-N 3 2 408.510 1.801 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749293 720801116 /nfs/dbraw/zinc/80/11/16/720801116.db2.gz TVHHVZBLXFHARB-PXNSSMCTSA-N 3 2 410.522 1.687 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749293 720801119 /nfs/dbraw/zinc/80/11/19/720801119.db2.gz TVHHVZBLXFHARB-PXNSSMCTSA-N 3 2 410.522 1.687 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@H]43)[nH+]2)CC1 ZINC001164847973 720820562 /nfs/dbraw/zinc/82/05/62/720820562.db2.gz LFJHDIZRRGHREZ-SQNIBIBYSA-N 2 2 401.511 1.124 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)[nH+]2)CC1 ZINC001165050148 721981128 /nfs/dbraw/zinc/98/11/28/721981128.db2.gz QEEXUJSEVDLRNH-FQEVSTJZSA-N 2 2 423.517 1.322 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@H]4C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164956260 722034153 /nfs/dbraw/zinc/03/41/53/722034153.db2.gz CYLDXTAHBXBBKW-CVDCTZTESA-N 2 2 406.534 1.761 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164981038 722128978 /nfs/dbraw/zinc/12/89/78/722128978.db2.gz SEQDDBITKPTWGQ-PMACEKPBSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164981038 722128979 /nfs/dbraw/zinc/12/89/79/722128979.db2.gz SEQDDBITKPTWGQ-PMACEKPBSA-N 2 2 410.522 1.436 20 0 HDADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673659340 1073609473 /nfs/dbraw/zinc/60/94/73/1073609473.db2.gz RUSIKZQMHDHVOU-OAQYLSRUSA-N 2 2 423.565 1.555 20 0 HDADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673659340 1073609479 /nfs/dbraw/zinc/60/94/79/1073609479.db2.gz RUSIKZQMHDHVOU-OAQYLSRUSA-N 2 2 423.565 1.555 20 0 HDADLP CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668855 1073623332 /nfs/dbraw/zinc/62/33/32/1073623332.db2.gz BFRLDPVITNZQCO-ICSRJNTNSA-N 2 2 412.534 1.132 20 0 HDADLP CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668855 1073623340 /nfs/dbraw/zinc/62/33/40/1073623340.db2.gz BFRLDPVITNZQCO-ICSRJNTNSA-N 2 2 412.534 1.132 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCN(CC(F)(F)F)CC3)CC2)CC1 ZINC000215983063 1073711390 /nfs/dbraw/zinc/71/13/90/1073711390.db2.gz RIZRVVAEROASAF-UHFFFAOYSA-N 2 2 405.509 1.825 20 0 HDADLP C[NH+]1CCC(CNC(=O)NCCC2CCS(=O)(=O)CC2)([NH+]2CCCCC2)CC1 ZINC000509138638 1073713813 /nfs/dbraw/zinc/71/38/13/1073713813.db2.gz MCLSIAHHMNQOFK-UHFFFAOYSA-N 2 2 414.616 1.451 20 0 HDADLP COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000429152450 1073792004 /nfs/dbraw/zinc/79/20/04/1073792004.db2.gz WMWSWELKBGQSNR-UHFFFAOYSA-N 2 2 405.543 1.887 20 0 HDADLP COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000429152450 1073792028 /nfs/dbraw/zinc/79/20/28/1073792028.db2.gz WMWSWELKBGQSNR-UHFFFAOYSA-N 2 2 405.543 1.887 20 0 HDADLP C[NH+](C)CCc1ccc(CNC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cc1 ZINC000466585001 1074021230 /nfs/dbraw/zinc/02/12/30/1074021230.db2.gz MVEPUXREOODKEX-UHFFFAOYSA-N 2 2 400.527 1.641 20 0 HDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1C[NH+](C3CC3)C[C@H]1C)CC2 ZINC000466600197 1074064844 /nfs/dbraw/zinc/06/48/44/1074064844.db2.gz WTTYVKXYWHCVLU-BEFAXECRSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1C[NH+](C3CC3)C[C@H]1C)CC2 ZINC000466600197 1074064851 /nfs/dbraw/zinc/06/48/51/1074064851.db2.gz WTTYVKXYWHCVLU-BEFAXECRSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@H]1C[N@@H+](C3CC3)C[C@H]1C)CC2 ZINC000466600197 1074064857 /nfs/dbraw/zinc/06/48/57/1074064857.db2.gz WTTYVKXYWHCVLU-BEFAXECRSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@H]1C[N@H+](C3CC3)C[C@H]1C)CC2 ZINC000466600197 1074064864 /nfs/dbraw/zinc/06/48/64/1074064864.db2.gz WTTYVKXYWHCVLU-BEFAXECRSA-N 2 2 402.539 1.844 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1 ZINC000674160745 1074196734 /nfs/dbraw/zinc/19/67/34/1074196734.db2.gz YSQYNWKJMNEJNQ-SFHVURJKSA-N 2 2 408.568 1.199 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1 ZINC000674160745 1074196738 /nfs/dbraw/zinc/19/67/38/1074196738.db2.gz YSQYNWKJMNEJNQ-SFHVURJKSA-N 2 2 408.568 1.199 20 0 HDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000674278505 1074259826 /nfs/dbraw/zinc/25/98/26/1074259826.db2.gz JBAXEBJWSWGJBS-GOSISDBHSA-N 2 2 415.538 1.260 20 0 HDADLP O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429239035 1074530905 /nfs/dbraw/zinc/53/09/05/1074530905.db2.gz SPOCRIXJDNOXOL-JOCHJYFZSA-N 2 2 401.551 1.884 20 0 HDADLP O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429239035 1074530911 /nfs/dbraw/zinc/53/09/11/1074530911.db2.gz SPOCRIXJDNOXOL-JOCHJYFZSA-N 2 2 401.551 1.884 20 0 HDADLP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000674745080 1074545903 /nfs/dbraw/zinc/54/59/03/1074545903.db2.gz VMWCHGUDURYBIF-HXUWFJFHSA-N 2 2 417.554 1.385 20 0 HDADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804218890 1074659354 /nfs/dbraw/zinc/65/93/54/1074659354.db2.gz KEJRKOPZKCREGN-KRWDZBQOSA-N 2 2 403.571 1.684 20 0 HDADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804218890 1074659357 /nfs/dbraw/zinc/65/93/57/1074659357.db2.gz KEJRKOPZKCREGN-KRWDZBQOSA-N 2 2 403.571 1.684 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000477101789 1074800615 /nfs/dbraw/zinc/80/06/15/1074800615.db2.gz ROSRHWVJVCFLGH-SNRMKQJTSA-N 2 2 424.973 1.674 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000477101789 1074800618 /nfs/dbraw/zinc/80/06/18/1074800618.db2.gz ROSRHWVJVCFLGH-SNRMKQJTSA-N 2 2 424.973 1.674 20 0 HDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000670503102 1074819610 /nfs/dbraw/zinc/81/96/10/1074819610.db2.gz CJWTUBUTEHRECS-IZZBFERCSA-N 2 2 416.566 1.506 20 0 HDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000670503102 1074819612 /nfs/dbraw/zinc/81/96/12/1074819612.db2.gz CJWTUBUTEHRECS-IZZBFERCSA-N 2 2 416.566 1.506 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000429245812 1075090432 /nfs/dbraw/zinc/09/04/32/1075090432.db2.gz LQLOUQYYSBHNLE-UHFFFAOYSA-N 2 2 407.540 1.752 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(S(N)(=O)=O)c1 ZINC000429245812 1075090440 /nfs/dbraw/zinc/09/04/40/1075090440.db2.gz LQLOUQYYSBHNLE-UHFFFAOYSA-N 2 2 407.540 1.752 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047879 1075340137 /nfs/dbraw/zinc/34/01/37/1075340137.db2.gz VPLDKZHSBQFUSD-TYPHKJRUSA-N 3 2 407.603 1.222 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047879 1075340143 /nfs/dbraw/zinc/34/01/43/1075340143.db2.gz VPLDKZHSBQFUSD-TYPHKJRUSA-N 3 2 407.603 1.222 20 0 HDADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000676092789 1075351353 /nfs/dbraw/zinc/35/13/53/1075351353.db2.gz RUOUUJYUEROXKA-UHFFFAOYSA-N 2 2 410.503 1.654 20 0 HDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000731575781 1075392426 /nfs/dbraw/zinc/39/24/26/1075392426.db2.gz XDIRPTGZSVYSCG-UHFFFAOYSA-N 2 2 408.437 1.771 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000731686515 1075445796 /nfs/dbraw/zinc/44/57/96/1075445796.db2.gz BQYQYXPOGKKFNM-GOSISDBHSA-N 2 2 414.547 1.237 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676263494 1075462760 /nfs/dbraw/zinc/46/27/60/1075462760.db2.gz DDNHVXVELUNYSA-UZLBHIALSA-N 2 2 405.543 1.678 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263494 1075462765 /nfs/dbraw/zinc/46/27/65/1075462765.db2.gz DDNHVXVELUNYSA-UZLBHIALSA-N 2 2 405.543 1.678 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000731681343 1075463222 /nfs/dbraw/zinc/46/32/22/1075463222.db2.gz AFNGHASUZUCJNR-UHFFFAOYSA-N 2 2 414.616 1.449 20 0 HDADLP CC[NH+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731682945 1075466609 /nfs/dbraw/zinc/46/66/09/1075466609.db2.gz SYZDRIFEBWMOSV-UHFFFAOYSA-N 2 2 424.611 1.837 20 0 HDADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683873 1075468407 /nfs/dbraw/zinc/46/84/07/1075468407.db2.gz KVRMOHOHSQDQBX-MRXNPFEDSA-N 2 2 402.605 1.305 20 0 HDADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683873 1075468412 /nfs/dbraw/zinc/46/84/12/1075468412.db2.gz KVRMOHOHSQDQBX-MRXNPFEDSA-N 2 2 402.605 1.305 20 0 HDADLP CCN1C(=O)N=NC1C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000676359972 1075532557 /nfs/dbraw/zinc/53/25/57/1075532557.db2.gz NIPJILBMPWKGJR-INIZCTEOSA-N 2 2 413.526 1.315 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1OC ZINC000509416094 1075561646 /nfs/dbraw/zinc/56/16/46/1075561646.db2.gz LXFRKJFYATWPBM-MOPGFXCFSA-N 2 2 418.582 1.681 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1OC ZINC000509416094 1075561661 /nfs/dbraw/zinc/56/16/61/1075561661.db2.gz LXFRKJFYATWPBM-MOPGFXCFSA-N 2 2 418.582 1.681 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)cc1OC ZINC000509416098 1075561886 /nfs/dbraw/zinc/56/18/86/1075561886.db2.gz LXFRKJFYATWPBM-RBUKOAKNSA-N 2 2 418.582 1.681 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1OC ZINC000509416098 1075561893 /nfs/dbraw/zinc/56/18/93/1075561893.db2.gz LXFRKJFYATWPBM-RBUKOAKNSA-N 2 2 418.582 1.681 20 0 HDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000676478727 1075565931 /nfs/dbraw/zinc/56/59/31/1075565931.db2.gz OTNLCCYQFYXRPV-YQQAZPJKSA-N 2 2 405.524 1.433 20 0 HDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000676478727 1075565935 /nfs/dbraw/zinc/56/59/35/1075565935.db2.gz OTNLCCYQFYXRPV-YQQAZPJKSA-N 2 2 405.524 1.433 20 0 HDADLP Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000676552211 1075585175 /nfs/dbraw/zinc/58/51/75/1075585175.db2.gz YHZRCZYLQJHWGI-KRWDZBQOSA-N 2 2 409.494 1.217 20 0 HDADLP C[C@@H]1CN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[N@@H+]1CCO ZINC000429457222 1075645566 /nfs/dbraw/zinc/64/55/66/1075645566.db2.gz YEZMMSOCOWNVBU-GOSISDBHSA-N 2 2 415.538 1.504 20 0 HDADLP C[C@@H]1CN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[N@H+]1CCO ZINC000429457222 1075645573 /nfs/dbraw/zinc/64/55/73/1075645573.db2.gz YEZMMSOCOWNVBU-GOSISDBHSA-N 2 2 415.538 1.504 20 0 HDADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000732212160 1075668830 /nfs/dbraw/zinc/66/88/30/1075668830.db2.gz OLVNVBDLUDTTLX-NRFANRHFSA-N 2 2 413.566 1.854 20 0 HDADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@H](N4CCCC4=O)C3)cc2)CC1 ZINC000732212160 1075668838 /nfs/dbraw/zinc/66/88/38/1075668838.db2.gz OLVNVBDLUDTTLX-NRFANRHFSA-N 2 2 413.566 1.854 20 0 HDADLP C[C@@H]1C[N@H+](CCCNc2cc(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)ncn2)C[C@H](C)O1 ZINC000439831672 1075701665 /nfs/dbraw/zinc/70/16/65/1075701665.db2.gz VYDZEKQQQFVCBF-LWYYNNOASA-N 2 2 420.602 2.299 20 0 HDADLP C[C@@H]1C[N@@H+](CCCNc2cc(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)ncn2)C[C@H](C)O1 ZINC000439831672 1075701671 /nfs/dbraw/zinc/70/16/71/1075701671.db2.gz VYDZEKQQQFVCBF-LWYYNNOASA-N 2 2 420.602 2.299 20 0 HDADLP CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732562545 1075789035 /nfs/dbraw/zinc/78/90/35/1075789035.db2.gz GIGTUZDZNZJOPQ-HNNXBMFYSA-N 2 2 420.608 1.922 20 0 HDADLP CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732562545 1075789039 /nfs/dbraw/zinc/78/90/39/1075789039.db2.gz GIGTUZDZNZJOPQ-HNNXBMFYSA-N 2 2 420.608 1.922 20 0 HDADLP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc(I)c1OC ZINC000611039464 1075819005 /nfs/dbraw/zinc/81/90/05/1075819005.db2.gz XHYJPWYLCZYACN-HNNXBMFYSA-N 2 2 408.280 1.711 20 0 HDADLP CSC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429285382 1075820390 /nfs/dbraw/zinc/82/03/90/1075820390.db2.gz OBRRRSBPPTTXBJ-HNNXBMFYSA-N 2 2 403.556 1.087 20 0 HDADLP CSC[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429285382 1075820392 /nfs/dbraw/zinc/82/03/92/1075820392.db2.gz OBRRRSBPPTTXBJ-HNNXBMFYSA-N 2 2 403.556 1.087 20 0 HDADLP Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732778494 1075855271 /nfs/dbraw/zinc/85/52/71/1075855271.db2.gz DBZCHQBTRXZBNM-QGZVFWFLSA-N 2 2 414.579 1.827 20 0 HDADLP Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732778494 1075855273 /nfs/dbraw/zinc/85/52/73/1075855273.db2.gz DBZCHQBTRXZBNM-QGZVFWFLSA-N 2 2 414.579 1.827 20 0 HDADLP Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732778493 1075855299 /nfs/dbraw/zinc/85/52/99/1075855299.db2.gz DBZCHQBTRXZBNM-KRWDZBQOSA-N 2 2 414.579 1.827 20 0 HDADLP Cc1cccc(C2N=NC(=S)N2CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732778493 1075855301 /nfs/dbraw/zinc/85/53/01/1075855301.db2.gz DBZCHQBTRXZBNM-KRWDZBQOSA-N 2 2 414.579 1.827 20 0 HDADLP COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000611293664 1075894973 /nfs/dbraw/zinc/89/49/73/1075894973.db2.gz ZFNAHSHPOTZSPE-IBGZPJMESA-N 2 2 400.523 1.709 20 0 HDADLP COC(=O)c1ccc2c(c1)CN(C(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000611293664 1075894978 /nfs/dbraw/zinc/89/49/78/1075894978.db2.gz ZFNAHSHPOTZSPE-IBGZPJMESA-N 2 2 400.523 1.709 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c(=O)[nH]c21 ZINC000733164435 1075997791 /nfs/dbraw/zinc/99/77/91/1075997791.db2.gz SRXZIHWMDYTEKL-SREVYHEPSA-N 2 2 414.554 1.803 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c(=O)[nH]c21 ZINC000733164435 1075997795 /nfs/dbraw/zinc/99/77/95/1075997795.db2.gz SRXZIHWMDYTEKL-SREVYHEPSA-N 2 2 414.554 1.803 20 0 HDADLP COC[C@@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184907 1076011953 /nfs/dbraw/zinc/01/19/53/1076011953.db2.gz ZABMRXXMVCVTGD-DENIHFKCSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184907 1076011956 /nfs/dbraw/zinc/01/19/56/1076011956.db2.gz ZABMRXXMVCVTGD-DENIHFKCSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184907 1076011963 /nfs/dbraw/zinc/01/19/63/1076011963.db2.gz ZABMRXXMVCVTGD-DENIHFKCSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184907 1076011966 /nfs/dbraw/zinc/01/19/66/1076011966.db2.gz ZABMRXXMVCVTGD-DENIHFKCSA-N 2 2 400.523 1.889 20 0 HDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648368 1076140046 /nfs/dbraw/zinc/14/00/46/1076140046.db2.gz IFEHMSWIEPFXJA-NHCUHLMSSA-N 2 2 417.554 1.179 20 0 HDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648368 1076140051 /nfs/dbraw/zinc/14/00/51/1076140051.db2.gz IFEHMSWIEPFXJA-NHCUHLMSSA-N 2 2 417.554 1.179 20 0 HDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000533846954 1076246141 /nfs/dbraw/zinc/24/61/41/1076246141.db2.gz CRZOAIBKIDRQJG-FQEVSTJZSA-N 2 2 401.555 1.759 20 0 HDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000533846954 1076246144 /nfs/dbraw/zinc/24/61/44/1076246144.db2.gz CRZOAIBKIDRQJG-FQEVSTJZSA-N 2 2 401.555 1.759 20 0 HDADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533846954 1076246145 /nfs/dbraw/zinc/24/61/45/1076246145.db2.gz CRZOAIBKIDRQJG-FQEVSTJZSA-N 2 2 401.555 1.759 20 0 HDADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533846954 1076246148 /nfs/dbraw/zinc/24/61/48/1076246148.db2.gz CRZOAIBKIDRQJG-FQEVSTJZSA-N 2 2 401.555 1.759 20 0 HDADLP CC(C)NC(=O)c1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000727832512 1076264216 /nfs/dbraw/zinc/26/42/16/1076264216.db2.gz GFIMFMXTORGZAL-UHFFFAOYSA-N 2 2 402.539 1.808 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000730216074 1076479154 /nfs/dbraw/zinc/47/91/54/1076479154.db2.gz MPIDCMJNXUWPQI-INIZCTEOSA-N 2 2 402.514 1.853 20 0 HDADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(C[NH+](C)C4CC4)cn3)CC2)C1=O ZINC001164644338 719281478 /nfs/dbraw/zinc/28/14/78/719281478.db2.gz JGWDQANSWWUHJA-UHFFFAOYSA-N 2 2 401.555 1.435 20 0 HDADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C[NH+](C)C4CC4)cn3)CC2)C1=O ZINC001164644338 719281485 /nfs/dbraw/zinc/28/14/85/719281485.db2.gz JGWDQANSWWUHJA-UHFFFAOYSA-N 2 2 401.555 1.435 20 0 HDADLP COCCN1CC[NH+](C)C2(CCN(c3ccc(C[N@H+](C)C4CC4)cn3)CC2)C1=O ZINC001164644338 719281489 /nfs/dbraw/zinc/28/14/89/719281489.db2.gz JGWDQANSWWUHJA-UHFFFAOYSA-N 2 2 401.555 1.435 20 0 HDADLP COCCN1CC[NH+](C)C2(CCN(c3ccc(C[N@@H+](C)C4CC4)cn3)CC2)C1=O ZINC001164644338 719281496 /nfs/dbraw/zinc/28/14/96/719281496.db2.gz JGWDQANSWWUHJA-UHFFFAOYSA-N 2 2 401.555 1.435 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164705727 719871929 /nfs/dbraw/zinc/87/19/29/719871929.db2.gz OCWRWKKGYPETHG-SIKLNZKXSA-N 2 2 402.539 1.909 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001164705727 719871933 /nfs/dbraw/zinc/87/19/33/719871933.db2.gz OCWRWKKGYPETHG-SIKLNZKXSA-N 2 2 402.539 1.909 20 0 HDADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811778 720144917 /nfs/dbraw/zinc/14/49/17/720144917.db2.gz NGWQXACBCMJFLG-PGRDOPGGSA-N 3 2 400.571 1.589 20 0 HDADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811778 720144921 /nfs/dbraw/zinc/14/49/21/720144921.db2.gz NGWQXACBCMJFLG-PGRDOPGGSA-N 3 2 400.571 1.589 20 0 HDADLP CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164721097 720314768 /nfs/dbraw/zinc/31/47/68/720314768.db2.gz DTUQLCLACPABJO-IBGZPJMESA-N 2 2 411.554 1.851 20 0 HDADLP c1cn(Cc2nnn3c2CN(c2cccc(OCC[NH+]4CCCC4)n2)CCC3)c[nH+]1 ZINC001164829376 720398751 /nfs/dbraw/zinc/39/87/51/720398751.db2.gz MRSIEJCFQCQUDR-UHFFFAOYSA-N 2 2 408.510 1.803 20 0 HDADLP CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001164826298 720420085 /nfs/dbraw/zinc/42/00/85/720420085.db2.gz PCZMGRZVUJQIRL-GUDVDZBRSA-N 2 2 401.555 1.447 20 0 HDADLP CN(C)c1cccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH+]1 ZINC001164824126 720434855 /nfs/dbraw/zinc/43/48/55/720434855.db2.gz MKVLTVNPFGUKGT-KRWDZBQOSA-N 2 2 400.527 1.334 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749296 720800637 /nfs/dbraw/zinc/80/06/37/720800637.db2.gz TVHHVZBLXFHARB-YLJYHZDGSA-N 3 2 410.522 1.687 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749296 720800640 /nfs/dbraw/zinc/80/06/40/720800640.db2.gz TVHHVZBLXFHARB-YLJYHZDGSA-N 3 2 410.522 1.687 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCCN(C(=O)c5ccccc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164882733 721350486 /nfs/dbraw/zinc/35/04/86/721350486.db2.gz HNWLDJXHXFMXDD-RTWAWAEBSA-N 2 2 421.545 1.811 20 0 HDADLP CC[NH+]1CCN(CCC(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000673650363 1073549697 /nfs/dbraw/zinc/54/96/97/1073549697.db2.gz OSHAPPQVOWZOTF-UHFFFAOYSA-N 2 2 401.555 1.430 20 0 HDADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673653110 1073576332 /nfs/dbraw/zinc/57/63/32/1073576332.db2.gz XRMRHAAREASOTL-JOCHJYFZSA-N 3 2 408.550 1.770 20 0 HDADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673653110 1073576343 /nfs/dbraw/zinc/57/63/43/1073576343.db2.gz XRMRHAAREASOTL-JOCHJYFZSA-N 3 2 408.550 1.770 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccccn3)CC2)CC1 ZINC000673665398 1073618041 /nfs/dbraw/zinc/61/80/41/1073618041.db2.gz KCDWRRMLVFVNLR-OAQYLSRUSA-N 2 2 413.566 1.449 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccccn3)CC2)CC1 ZINC000673665398 1073618049 /nfs/dbraw/zinc/61/80/49/1073618049.db2.gz KCDWRRMLVFVNLR-OAQYLSRUSA-N 2 2 413.566 1.449 20 0 HDADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000673672474 1073626916 /nfs/dbraw/zinc/62/69/16/1073626916.db2.gz ICOQYMUFYQWJDW-FGZHOGPDSA-N 2 2 400.567 1.564 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1 ZINC000673741145 1073674330 /nfs/dbraw/zinc/67/43/30/1073674330.db2.gz RTPUTTATONVQAZ-LJQANCHMSA-N 2 2 416.570 1.230 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1 ZINC000673741145 1073674333 /nfs/dbraw/zinc/67/43/33/1073674333.db2.gz RTPUTTATONVQAZ-LJQANCHMSA-N 2 2 416.570 1.230 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839862 1073805325 /nfs/dbraw/zinc/80/53/25/1073805325.db2.gz HDODZXYCFAVNQN-SFTDATJTSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839862 1073805336 /nfs/dbraw/zinc/80/53/36/1073805336.db2.gz HDODZXYCFAVNQN-SFTDATJTSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839862 1073805346 /nfs/dbraw/zinc/80/53/46/1073805346.db2.gz HDODZXYCFAVNQN-SFTDATJTSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839862 1073805359 /nfs/dbraw/zinc/80/53/59/1073805359.db2.gz HDODZXYCFAVNQN-SFTDATJTSA-N 2 2 404.530 1.313 20 0 HDADLP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443957 1073990215 /nfs/dbraw/zinc/99/02/15/1073990215.db2.gz YJCJXTPOICXKBO-FGZHOGPDSA-N 2 2 400.567 1.688 20 0 HDADLP COC1CC[NH+](CCNC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000674326397 1074276957 /nfs/dbraw/zinc/27/69/57/1074276957.db2.gz CGQCJMXNWCWELU-UHFFFAOYSA-N 2 2 420.554 1.308 20 0 HDADLP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674369082 1074298113 /nfs/dbraw/zinc/29/81/13/1074298113.db2.gz WVHSCUOOMXCZGA-PMACEKPBSA-N 2 2 419.566 1.705 20 0 HDADLP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674369082 1074298119 /nfs/dbraw/zinc/29/81/19/1074298119.db2.gz WVHSCUOOMXCZGA-PMACEKPBSA-N 2 2 419.566 1.705 20 0 HDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000674395773 1074310136 /nfs/dbraw/zinc/31/01/36/1074310136.db2.gz FOKQLHXKURRDOR-LEWJYISDSA-N 2 2 404.555 1.233 20 0 HDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000674395773 1074310142 /nfs/dbraw/zinc/31/01/42/1074310142.db2.gz FOKQLHXKURRDOR-LEWJYISDSA-N 2 2 404.555 1.233 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1 ZINC000674872438 1074593306 /nfs/dbraw/zinc/59/33/06/1074593306.db2.gz OWFWBALDOQRQLG-KRWDZBQOSA-N 2 2 411.554 1.970 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1 ZINC000674872438 1074593309 /nfs/dbraw/zinc/59/33/09/1074593309.db2.gz OWFWBALDOQRQLG-KRWDZBQOSA-N 2 2 411.554 1.970 20 0 HDADLP C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000543615341 1074738547 /nfs/dbraw/zinc/73/85/47/1074738547.db2.gz YMVJEKNXKABUBJ-IAGOWNOFSA-N 2 2 402.543 1.854 20 0 HDADLP C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@H+]1CCCC[C@H]1C ZINC000543615341 1074738555 /nfs/dbraw/zinc/73/85/55/1074738555.db2.gz YMVJEKNXKABUBJ-IAGOWNOFSA-N 2 2 402.543 1.854 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000477081849 1074789012 /nfs/dbraw/zinc/78/90/12/1074789012.db2.gz NEUWXFFPOFJKJF-SESVDKBCSA-N 3 2 423.646 1.629 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000477081849 1074789016 /nfs/dbraw/zinc/78/90/16/1074789016.db2.gz NEUWXFFPOFJKJF-SESVDKBCSA-N 3 2 423.646 1.629 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000477101790 1074800634 /nfs/dbraw/zinc/80/06/34/1074800634.db2.gz ROSRHWVJVCFLGH-ZYSHUDEJSA-N 2 2 424.973 1.674 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000477101790 1074800637 /nfs/dbraw/zinc/80/06/37/1074800637.db2.gz ROSRHWVJVCFLGH-ZYSHUDEJSA-N 2 2 424.973 1.674 20 0 HDADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438315813 1074811075 /nfs/dbraw/zinc/81/10/75/1074811075.db2.gz TZSQXIHJNAKQCN-UHFFFAOYSA-N 2 2 412.538 2.133 20 0 HDADLP C[C@H](c1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1)[NH+]1CCOCC1 ZINC000675608778 1075225858 /nfs/dbraw/zinc/22/58/58/1075225858.db2.gz WDKGSHFDYBETJD-MRXNPFEDSA-N 2 2 414.510 1.415 20 0 HDADLP CS(=O)(=O)N1CCC([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000675753491 1075264300 /nfs/dbraw/zinc/26/43/00/1075264300.db2.gz ZDWICYZNSXKPIH-UHFFFAOYSA-N 2 2 408.612 1.598 20 0 HDADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(-n2cnnn2)c1 ZINC000675794803 1075270146 /nfs/dbraw/zinc/27/01/46/1075270146.db2.gz HDPMQJDHJOYUCQ-KRWDZBQOSA-N 2 2 406.494 1.447 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989025 1075315628 /nfs/dbraw/zinc/31/56/28/1075315628.db2.gz FTDDVZBJPWIESG-OALUTQOASA-N 2 2 422.957 1.382 20 0 HDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(NC(=O)CC3CCCC3)CC1)C2=O ZINC000731352875 1075316208 /nfs/dbraw/zinc/31/62/08/1075316208.db2.gz UYDJDEVFXIEHKX-UHFFFAOYSA-N 2 2 405.543 1.121 20 0 HDADLP Cn1cc[nH+]c1C[C@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000676097897 1075361119 /nfs/dbraw/zinc/36/11/19/1075361119.db2.gz TXMBMJJJSBYODO-SFHVURJKSA-N 2 2 409.494 1.217 20 0 HDADLP Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+](C)C ZINC000579872513 1075367310 /nfs/dbraw/zinc/36/73/10/1075367310.db2.gz BMGRYQILOTTWEM-NQIIRXRSSA-N 2 2 414.554 2.337 20 0 HDADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676089258 1075372932 /nfs/dbraw/zinc/37/29/32/1075372932.db2.gz IQMOZIMCOBELDH-UHFFFAOYSA-N 2 2 419.489 1.144 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243652 1075445901 /nfs/dbraw/zinc/44/59/01/1075445901.db2.gz RGSVZQLRGCKOPZ-TZIWHRDSSA-N 2 2 403.571 1.525 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243652 1075445904 /nfs/dbraw/zinc/44/59/04/1075445904.db2.gz RGSVZQLRGCKOPZ-TZIWHRDSSA-N 2 2 403.571 1.525 20 0 HDADLP C[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676262272 1075461749 /nfs/dbraw/zinc/46/17/49/1075461749.db2.gz BUGRVMKSVKUMSV-UWJYYQICSA-N 2 2 415.538 1.814 20 0 HDADLP C[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262272 1075461755 /nfs/dbraw/zinc/46/17/55/1075461755.db2.gz BUGRVMKSVKUMSV-UWJYYQICSA-N 2 2 415.538 1.814 20 0 HDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682718 1075467034 /nfs/dbraw/zinc/46/70/34/1075467034.db2.gz SPGBNWUGVQQNMW-QZTJIDSGSA-N 2 2 416.632 1.553 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(F)c1 ZINC000731755337 1075511573 /nfs/dbraw/zinc/51/15/73/1075511573.db2.gz JVYJXTCCQDPUSC-GOSISDBHSA-N 2 2 414.547 1.237 20 0 HDADLP CC(C)[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761561 1075514955 /nfs/dbraw/zinc/51/49/55/1075514955.db2.gz RGGPSTQOUPXWDC-UHFFFAOYSA-N 2 2 402.605 1.257 20 0 HDADLP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761561 1075514959 /nfs/dbraw/zinc/51/49/59/1075514959.db2.gz RGGPSTQOUPXWDC-UHFFFAOYSA-N 2 2 402.605 1.257 20 0 HDADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000732212161 1075668959 /nfs/dbraw/zinc/66/89/59/1075668959.db2.gz OLVNVBDLUDTTLX-OAQYLSRUSA-N 2 2 413.566 1.854 20 0 HDADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)cc2)CC1 ZINC000732212161 1075668962 /nfs/dbraw/zinc/66/89/62/1075668962.db2.gz OLVNVBDLUDTTLX-OAQYLSRUSA-N 2 2 413.566 1.854 20 0 HDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000429470559 1075717377 /nfs/dbraw/zinc/71/73/77/1075717377.db2.gz PKSZYQPYEAAHFQ-KRWDZBQOSA-N 2 2 424.549 1.577 20 0 HDADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438321452 1075722629 /nfs/dbraw/zinc/72/26/29/1075722629.db2.gz MHMJBWIZUTZNMJ-UHFFFAOYSA-N 2 2 418.517 1.950 20 0 HDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467841 1075755384 /nfs/dbraw/zinc/75/53/84/1075755384.db2.gz YUURVYZRHDDLRP-QHAWAJNXSA-N 2 2 402.539 1.092 20 0 HDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467841 1075755390 /nfs/dbraw/zinc/75/53/90/1075755390.db2.gz YUURVYZRHDDLRP-QHAWAJNXSA-N 2 2 402.539 1.092 20 0 HDADLP CC(=O)N1C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558419 1075785245 /nfs/dbraw/zinc/78/52/45/1075785245.db2.gz AHHMUHHSGXKLBY-WIYYLYMNSA-N 2 2 400.523 1.427 20 0 HDADLP CC(=O)N1C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558419 1075785246 /nfs/dbraw/zinc/78/52/46/1075785246.db2.gz AHHMUHHSGXKLBY-WIYYLYMNSA-N 2 2 400.523 1.427 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559545 1075786948 /nfs/dbraw/zinc/78/69/48/1075786948.db2.gz NWYDZPYXZBLDHS-CVEARBPZSA-N 2 2 420.476 1.777 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559545 1075786955 /nfs/dbraw/zinc/78/69/55/1075786955.db2.gz NWYDZPYXZBLDHS-CVEARBPZSA-N 2 2 420.476 1.777 20 0 HDADLP C[C@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000467478463 1075812270 /nfs/dbraw/zinc/81/22/70/1075812270.db2.gz ORSPFCINYPKCBE-AZUAARDMSA-N 2 2 412.538 2.000 20 0 HDADLP C[C@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000467478463 1075812275 /nfs/dbraw/zinc/81/22/75/1075812275.db2.gz ORSPFCINYPKCBE-AZUAARDMSA-N 2 2 412.538 2.000 20 0 HDADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc(I)c1OC ZINC000611039465 1075819073 /nfs/dbraw/zinc/81/90/73/1075819073.db2.gz XHYJPWYLCZYACN-OAHLLOKOSA-N 2 2 408.280 1.711 20 0 HDADLP CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1OC ZINC000429295336 1075845157 /nfs/dbraw/zinc/84/51/57/1075845157.db2.gz UDLACDOZYCVQHS-SJORKVTESA-N 2 2 415.542 1.195 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1 ZINC000732835051 1075872794 /nfs/dbraw/zinc/87/27/94/1075872794.db2.gz VEEQTGKALPHAKR-JVCXIRSZSA-N 2 2 420.579 1.252 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1 ZINC000732835051 1075872798 /nfs/dbraw/zinc/87/27/98/1075872798.db2.gz VEEQTGKALPHAKR-JVCXIRSZSA-N 2 2 420.579 1.252 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000733164525 1075997380 /nfs/dbraw/zinc/99/73/80/1075997380.db2.gz WGMUBNCLMCBMEJ-HNNXBMFYSA-N 2 2 408.465 1.634 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F ZINC000733164525 1075997383 /nfs/dbraw/zinc/99/73/83/1075997383.db2.gz WGMUBNCLMCBMEJ-HNNXBMFYSA-N 2 2 408.465 1.634 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000733164526 1075997438 /nfs/dbraw/zinc/99/74/38/1075997438.db2.gz WGMUBNCLMCBMEJ-OAHLLOKOSA-N 2 2 408.465 1.634 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000733164526 1075997441 /nfs/dbraw/zinc/99/74/41/1075997441.db2.gz WGMUBNCLMCBMEJ-OAHLLOKOSA-N 2 2 408.465 1.634 20 0 HDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@H](c4ccccn4)CC3=O)CC2)CC1 ZINC000733299504 1076032902 /nfs/dbraw/zinc/03/29/02/1076032902.db2.gz MGWUFICZMHWNLV-HXUWFJFHSA-N 2 2 413.566 1.621 20 0 HDADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000733647051 1076139545 /nfs/dbraw/zinc/13/95/45/1076139545.db2.gz JCLRVPLSJUQMFV-KRWDZBQOSA-N 2 2 424.611 1.924 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000536035090 1076254693 /nfs/dbraw/zinc/25/46/93/1076254693.db2.gz FJQULPBZWPPKCU-WOJBJXKFSA-N 2 2 400.523 1.003 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000536035090 1076254694 /nfs/dbraw/zinc/25/46/94/1076254694.db2.gz FJQULPBZWPPKCU-WOJBJXKFSA-N 2 2 400.523 1.003 20 0 HDADLP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CC1 ZINC000727951666 1076296055 /nfs/dbraw/zinc/29/60/55/1076296055.db2.gz JDBIZPYCPIEVHQ-UHFFFAOYSA-N 2 2 421.973 1.973 20 0 HDADLP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CC1 ZINC000727951666 1076296059 /nfs/dbraw/zinc/29/60/59/1076296059.db2.gz JDBIZPYCPIEVHQ-UHFFFAOYSA-N 2 2 421.973 1.973 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCC[N@H+](C)CC3)CC2)cc1OC ZINC000022945502 1076330346 /nfs/dbraw/zinc/33/03/46/1076330346.db2.gz IEIZLSIZVHEQKU-UHFFFAOYSA-N 2 2 404.555 1.294 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCC[N@@H+](C)CC3)CC2)cc1OC ZINC000022945502 1076330354 /nfs/dbraw/zinc/33/03/54/1076330354.db2.gz IEIZLSIZVHEQKU-UHFFFAOYSA-N 2 2 404.555 1.294 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCC(=O)N3CCOc4ccccc43)CC2)CC1 ZINC000730281607 1076512429 /nfs/dbraw/zinc/51/24/29/1076512429.db2.gz OFQACLDBNUIASN-UHFFFAOYSA-N 2 2 414.550 1.867 20 0 HDADLP CCOC(=O)c1cnc([S@@](C)=O)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680614 719636457 /nfs/dbraw/zinc/63/64/57/719636457.db2.gz YPJXJTRZKLLRDU-GDLZYMKVSA-N 2 2 420.539 1.062 20 0 HDADLP CCOC(=O)c1cnc([S@@](C)=O)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680614 719636460 /nfs/dbraw/zinc/63/64/60/719636460.db2.gz YPJXJTRZKLLRDU-GDLZYMKVSA-N 2 2 420.539 1.062 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164698592 719838946 /nfs/dbraw/zinc/83/89/46/719838946.db2.gz FWFBLRDLLSBABT-ORAYPTAESA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C2CC[NH2+]CC2)n1 ZINC001164703210 719862615 /nfs/dbraw/zinc/86/26/15/719862615.db2.gz PLJPNMXATDWVSU-LAUBAEHRSA-N 2 2 403.527 1.176 20 0 HDADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811780 720143662 /nfs/dbraw/zinc/14/36/62/720143662.db2.gz NGWQXACBCMJFLG-XMSQKQJNSA-N 3 2 400.571 1.589 20 0 HDADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811780 720143672 /nfs/dbraw/zinc/14/36/72/720143672.db2.gz NGWQXACBCMJFLG-XMSQKQJNSA-N 3 2 400.571 1.589 20 0 HDADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164716232 720193921 /nfs/dbraw/zinc/19/39/21/720193921.db2.gz PPBGMGLQCHIKPC-SFHVURJKSA-N 2 2 413.526 1.693 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)[nH+]2)CC1 ZINC001164732306 720501684 /nfs/dbraw/zinc/50/16/84/720501684.db2.gz ZBJQUESUATYJDI-AUSIDOKSSA-N 2 2 422.533 1.853 20 0 HDADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743130 720836530 /nfs/dbraw/zinc/83/65/30/720836530.db2.gz IWFQHSDTOFVLMD-HSALFYBXSA-N 2 2 424.553 1.284 20 0 HDADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743130 720836532 /nfs/dbraw/zinc/83/65/32/720836532.db2.gz IWFQHSDTOFVLMD-HSALFYBXSA-N 2 2 424.553 1.284 20 0 HDADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164761632 721065055 /nfs/dbraw/zinc/06/50/55/721065055.db2.gz CGEXNYRSNPQVPO-NPPFBWRTSA-N 2 2 424.549 1.338 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164768658 721094002 /nfs/dbraw/zinc/09/40/02/721094002.db2.gz OCAAOWAKKQTKPL-HOTGVXAUSA-N 2 2 409.494 1.826 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164768658 721094007 /nfs/dbraw/zinc/09/40/07/721094007.db2.gz OCAAOWAKKQTKPL-HOTGVXAUSA-N 2 2 409.494 1.826 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1NC(C)C ZINC001164871842 721261070 /nfs/dbraw/zinc/26/10/70/721261070.db2.gz AIGWHMXNEFAOCT-UHFFFAOYSA-N 2 2 404.559 1.612 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1NC(C)C ZINC001164871842 721261072 /nfs/dbraw/zinc/26/10/72/721261072.db2.gz AIGWHMXNEFAOCT-UHFFFAOYSA-N 2 2 404.559 1.612 20 0 HDADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894051 721381783 /nfs/dbraw/zinc/38/17/83/721381783.db2.gz WPAGAHCUNYSTTB-KKSFZXQISA-N 2 2 420.989 1.541 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@]4(COc4ncccc4F)C3)[nH+]2)CC1 ZINC001164791693 721487188 /nfs/dbraw/zinc/48/71/88/721487188.db2.gz DUFTYYSNQLOSFV-VGOFRKELSA-N 2 2 413.497 1.899 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164807295 721564976 /nfs/dbraw/zinc/56/49/76/721564976.db2.gz SNIWRHFDOQXGIW-ZVDOUQERSA-N 2 2 410.522 1.576 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@H]2CCCO[C@H]12 ZINC001164807295 721564982 /nfs/dbraw/zinc/56/49/82/721564982.db2.gz SNIWRHFDOQXGIW-ZVDOUQERSA-N 2 2 410.522 1.576 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165010194 721733220 /nfs/dbraw/zinc/73/32/20/721733220.db2.gz GABWYDMUSNRAKS-UHFFFAOYSA-N 2 2 414.510 1.658 20 0 HDADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001164933281 721877623 /nfs/dbraw/zinc/87/76/23/721877623.db2.gz LJRULBRWNUTBAY-ZWKOTPCHSA-N 2 2 400.575 1.287 20 0 HDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164946814 721976790 /nfs/dbraw/zinc/97/67/90/721976790.db2.gz LFTRWMQBIZXFDS-UHFFFAOYSA-N 2 2 420.561 1.462 20 0 HDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc(N3CC[NH2+]CC3)cn1)CC2 ZINC001164946814 721976794 /nfs/dbraw/zinc/97/67/94/721976794.db2.gz LFTRWMQBIZXFDS-UHFFFAOYSA-N 2 2 420.561 1.462 20 0 HDADLP CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164954391 722009621 /nfs/dbraw/zinc/00/96/21/722009621.db2.gz LVNCMRZLVQNTJJ-DYESRHJHSA-N 2 2 402.543 1.233 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164956262 722033925 /nfs/dbraw/zinc/03/39/25/722033925.db2.gz CYLDXTAHBXBBKW-XXBNENTESA-N 2 2 406.534 1.761 20 0 HDADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996795 722235846 /nfs/dbraw/zinc/23/58/46/722235846.db2.gz JDZVWTNSVCUJTA-SNAWJCMRSA-N 2 2 422.533 1.723 20 0 HDADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673653113 1073576445 /nfs/dbraw/zinc/57/64/45/1073576445.db2.gz XRMRHAAREASOTL-QFIPXVFZSA-N 3 2 408.550 1.770 20 0 HDADLP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673653113 1073576453 /nfs/dbraw/zinc/57/64/53/1073576453.db2.gz XRMRHAAREASOTL-QFIPXVFZSA-N 3 2 408.550 1.770 20 0 HDADLP CN(C(=O)c1ccccc1CN1CCOCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668865 1073622369 /nfs/dbraw/zinc/62/23/69/1073622369.db2.gz BKSPWTWVAWTTRC-NRFANRHFSA-N 2 2 400.567 1.759 20 0 HDADLP CN(C(=O)c1ccccc1CN1CCOCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668865 1073622372 /nfs/dbraw/zinc/62/23/72/1073622372.db2.gz BKSPWTWVAWTTRC-NRFANRHFSA-N 2 2 400.567 1.759 20 0 HDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783354 1073721680 /nfs/dbraw/zinc/72/16/80/1073721680.db2.gz SZQRPJDEPVLECZ-KRWDZBQOSA-N 2 2 404.511 1.019 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)CC1 ZINC000673860636 1073827746 /nfs/dbraw/zinc/82/77/46/1073827746.db2.gz GYXLTGBGRKJBEM-UHFFFAOYSA-N 2 2 411.510 1.675 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274759 1074253949 /nfs/dbraw/zinc/25/39/49/1074253949.db2.gz ZCMZYSGSNNQYRA-LPHOPBHVSA-N 2 2 419.957 1.913 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274759 1074253958 /nfs/dbraw/zinc/25/39/58/1074253958.db2.gz ZCMZYSGSNNQYRA-LPHOPBHVSA-N 2 2 419.957 1.913 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274761 1074253992 /nfs/dbraw/zinc/25/39/92/1074253992.db2.gz ZCMZYSGSNNQYRA-VQIMIIECSA-N 2 2 419.957 1.913 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274761 1074253997 /nfs/dbraw/zinc/25/39/97/1074253997.db2.gz ZCMZYSGSNNQYRA-VQIMIIECSA-N 2 2 419.957 1.913 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329617 1074275303 /nfs/dbraw/zinc/27/53/03/1074275303.db2.gz HGPIVJUCQBRDSF-GHTZIAJQSA-N 2 2 404.555 1.686 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329617 1074275306 /nfs/dbraw/zinc/27/53/06/1074275306.db2.gz HGPIVJUCQBRDSF-GHTZIAJQSA-N 2 2 404.555 1.686 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329618 1074275398 /nfs/dbraw/zinc/27/53/98/1074275398.db2.gz HGPIVJUCQBRDSF-NQIIRXRSSA-N 2 2 404.555 1.686 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329618 1074275402 /nfs/dbraw/zinc/27/54/02/1074275402.db2.gz HGPIVJUCQBRDSF-NQIIRXRSSA-N 2 2 404.555 1.686 20 0 HDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674397624 1074310973 /nfs/dbraw/zinc/31/09/73/1074310973.db2.gz HAWHOXNTKSPJAR-LEWJYISDSA-N 2 2 404.555 1.548 20 0 HDADLP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000674631193 1074494845 /nfs/dbraw/zinc/49/48/45/1074494845.db2.gz MKJPSZOZFCYIFE-WIYYLYMNSA-N 2 2 413.566 1.992 20 0 HDADLP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000674631193 1074494847 /nfs/dbraw/zinc/49/48/47/1074494847.db2.gz MKJPSZOZFCYIFE-WIYYLYMNSA-N 2 2 413.566 1.992 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1 ZINC000674631105 1074495143 /nfs/dbraw/zinc/49/51/43/1074495143.db2.gz LLVFXYYHWVHNHT-SJLPKXTDSA-N 2 2 407.946 1.724 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1 ZINC000674631105 1074495150 /nfs/dbraw/zinc/49/51/50/1074495150.db2.gz LLVFXYYHWVHNHT-SJLPKXTDSA-N 2 2 407.946 1.724 20 0 HDADLP O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429239036 1074530854 /nfs/dbraw/zinc/53/08/54/1074530854.db2.gz SPOCRIXJDNOXOL-QFIPXVFZSA-N 2 2 401.551 1.884 20 0 HDADLP O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000429239036 1074530860 /nfs/dbraw/zinc/53/08/60/1074530860.db2.gz SPOCRIXJDNOXOL-QFIPXVFZSA-N 2 2 401.551 1.884 20 0 HDADLP CCC(=O)N1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000674913968 1074613067 /nfs/dbraw/zinc/61/30/67/1074613067.db2.gz XAEYTPUSFWEKEC-GOSISDBHSA-N 2 2 402.543 1.273 20 0 HDADLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(OCCCO)CC1 ZINC000674913359 1074619284 /nfs/dbraw/zinc/61/92/84/1074619284.db2.gz OKTBYIIFDZWITH-LJQANCHMSA-N 2 2 419.566 1.387 20 0 HDADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438318288 1074712283 /nfs/dbraw/zinc/71/22/83/1074712283.db2.gz TUKNCBOWSLKGDH-UHFFFAOYSA-N 2 2 418.586 2.526 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCCC[NH2+]C3CCCCC3)ccn2)CC1 ZINC000543613616 1074723555 /nfs/dbraw/zinc/72/35/55/1074723555.db2.gz HEGSLFNXTBDJBE-UHFFFAOYSA-N 2 2 402.543 1.903 20 0 HDADLP C[C@@H](CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+]1CCCCC1 ZINC000543615423 1074735325 /nfs/dbraw/zinc/73/53/25/1074735325.db2.gz CGNWTQJMOXPEBP-KRWDZBQOSA-N 2 2 402.543 1.855 20 0 HDADLP CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675226687 1074766141 /nfs/dbraw/zinc/76/61/41/1074766141.db2.gz VMCJEDTWWWXJHI-LJQANCHMSA-N 2 2 400.502 1.706 20 0 HDADLP CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675226687 1074766153 /nfs/dbraw/zinc/76/61/53/1074766153.db2.gz VMCJEDTWWWXJHI-LJQANCHMSA-N 2 2 400.502 1.706 20 0 HDADLP Cc1nn(C)c(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1Cl ZINC001649133334 1074770110 /nfs/dbraw/zinc/77/01/10/1074770110.db2.gz BXXPHMCWXFRKFY-OAHLLOKOSA-N 2 2 405.934 1.767 20 0 HDADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000561847897 1074781758 /nfs/dbraw/zinc/78/17/58/1074781758.db2.gz UNJVQCLGQVWVKS-FQEVSTJZSA-N 2 2 412.538 2.174 20 0 HDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000675499221 1075179752 /nfs/dbraw/zinc/17/97/52/1075179752.db2.gz CKSVWESLQFHLPR-UHFFFAOYSA-N 2 2 413.566 1.845 20 0 HDADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000675499602 1075180343 /nfs/dbraw/zinc/18/03/43/1075180343.db2.gz NWTORRRONJSJPL-HOTGVXAUSA-N 2 2 417.535 1.117 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448361152 1075187695 /nfs/dbraw/zinc/18/76/95/1075187695.db2.gz FZXOJKCGLSQMIL-HKUYNNGSSA-N 2 2 402.543 1.696 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448361152 1075187698 /nfs/dbraw/zinc/18/76/98/1075187698.db2.gz FZXOJKCGLSQMIL-HKUYNNGSSA-N 2 2 402.543 1.696 20 0 HDADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000429359944 1075211514 /nfs/dbraw/zinc/21/15/14/1075211514.db2.gz FJVKTBYHGDKLKA-HXUWFJFHSA-N 2 2 414.594 1.941 20 0 HDADLP C[C@@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000429359944 1075211517 /nfs/dbraw/zinc/21/15/17/1075211517.db2.gz FJVKTBYHGDKLKA-HXUWFJFHSA-N 2 2 414.594 1.941 20 0 HDADLP C[NH+]1CCN(CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000675605295 1075221544 /nfs/dbraw/zinc/22/15/44/1075221544.db2.gz KVOYBHRUVSVCLF-UHFFFAOYSA-N 2 2 409.372 1.777 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCN(C4CCCCC4)C3=O)CC2)CC1 ZINC000675814574 1075275749 /nfs/dbraw/zinc/27/57/49/1075275749.db2.gz BCRMNISTMWTMPI-FQEVSTJZSA-N 2 2 405.587 1.778 20 0 HDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000675887184 1075289689 /nfs/dbraw/zinc/28/96/89/1075289689.db2.gz YVJSQOIBULDLBM-ROUUACIJSA-N 2 2 420.554 1.417 20 0 HDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000675887152 1075289709 /nfs/dbraw/zinc/28/97/09/1075289709.db2.gz YFXLNXSFESWXPY-SJORKVTESA-N 2 2 404.946 1.978 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccc(F)cc1 ZINC000731686516 1075446220 /nfs/dbraw/zinc/44/62/20/1075446220.db2.gz BQYQYXPOGKKFNM-SFHVURJKSA-N 2 2 414.547 1.237 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731683017 1075466025 /nfs/dbraw/zinc/46/60/25/1075466025.db2.gz YCXBIRMYLGLCIM-FQEVSTJZSA-N 2 2 422.595 1.459 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000731683017 1075466028 /nfs/dbraw/zinc/46/60/28/1075466028.db2.gz YCXBIRMYLGLCIM-FQEVSTJZSA-N 2 2 422.595 1.459 20 0 HDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250055 1075466729 /nfs/dbraw/zinc/46/67/29/1075466729.db2.gz VIASQGNVGVZRTI-RIFZZMRRSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250055 1075466735 /nfs/dbraw/zinc/46/67/35/1075466735.db2.gz VIASQGNVGVZRTI-RIFZZMRRSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250055 1075466743 /nfs/dbraw/zinc/46/67/43/1075466743.db2.gz VIASQGNVGVZRTI-RIFZZMRRSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250055 1075466747 /nfs/dbraw/zinc/46/67/47/1075466747.db2.gz VIASQGNVGVZRTI-RIFZZMRRSA-N 2 2 406.527 1.296 20 0 HDADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731755741 1075512514 /nfs/dbraw/zinc/51/25/14/1075512514.db2.gz BIBUZKZAVWLZSI-ZACQAIPSSA-N 2 2 402.605 1.161 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)cc1OC ZINC000509416100 1075561699 /nfs/dbraw/zinc/56/16/99/1075561699.db2.gz LXFRKJFYATWPBM-RTBURBONSA-N 2 2 418.582 1.681 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1OC ZINC000509416100 1075561708 /nfs/dbraw/zinc/56/17/08/1075561708.db2.gz LXFRKJFYATWPBM-RTBURBONSA-N 2 2 418.582 1.681 20 0 HDADLP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000804165799 1075572896 /nfs/dbraw/zinc/57/28/96/1075572896.db2.gz FCACEIPFVIEGRA-HNNXBMFYSA-N 2 2 417.579 1.958 20 0 HDADLP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000804165799 1075572899 /nfs/dbraw/zinc/57/28/99/1075572899.db2.gz FCACEIPFVIEGRA-HNNXBMFYSA-N 2 2 417.579 1.958 20 0 HDADLP C[C@@H](c1cccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1)[NH+]1CCOCC1 ZINC000439626376 1075599736 /nfs/dbraw/zinc/59/97/36/1075599736.db2.gz WXNCRZQJWBHVLA-INIZCTEOSA-N 2 2 420.473 2.238 20 0 HDADLP COC(=O)c1ccsc1N1CC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000466736257 1075606773 /nfs/dbraw/zinc/60/67/73/1075606773.db2.gz QTEBODWBPFEJOP-KRWDZBQOSA-N 2 2 407.536 1.684 20 0 HDADLP C[C@@H]1C[NH+](CCCNc2cc(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ncn2)C[C@@H](C)O1 ZINC000439831673 1075701756 /nfs/dbraw/zinc/70/17/56/1075701756.db2.gz VYDZEKQQQFVCBF-WTGUMLROSA-N 2 2 420.602 2.299 20 0 HDADLP C[C@@H]1C[NH+](CCCNc2cc(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)ncn2)C[C@@H](C)O1 ZINC000439831673 1075701760 /nfs/dbraw/zinc/70/17/60/1075701760.db2.gz VYDZEKQQQFVCBF-WTGUMLROSA-N 2 2 420.602 2.299 20 0 HDADLP CC(=O)N1C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558408 1075785259 /nfs/dbraw/zinc/78/52/59/1075785259.db2.gz AHHMUHHSGXKLBY-GHTZIAJQSA-N 2 2 400.523 1.427 20 0 HDADLP CC(=O)N1C[C@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558408 1075785263 /nfs/dbraw/zinc/78/52/63/1075785263.db2.gz AHHMUHHSGXKLBY-GHTZIAJQSA-N 2 2 400.523 1.427 20 0 HDADLP CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565121 1075789675 /nfs/dbraw/zinc/78/96/75/1075789675.db2.gz VRSHRKBHGPXWKI-YJBOKZPZSA-N 2 2 417.476 1.187 20 0 HDADLP CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565121 1075789684 /nfs/dbraw/zinc/78/96/84/1075789684.db2.gz VRSHRKBHGPXWKI-YJBOKZPZSA-N 2 2 417.476 1.187 20 0 HDADLP Cc1ccc(N2C[C@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782371 1075866099 /nfs/dbraw/zinc/86/60/99/1075866099.db2.gz YAQYQFNDXKILDP-SJORKVTESA-N 2 2 402.514 1.772 20 0 HDADLP Cc1ccc(N2C[C@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782371 1075866103 /nfs/dbraw/zinc/86/61/03/1075866103.db2.gz YAQYQFNDXKILDP-SJORKVTESA-N 2 2 402.514 1.772 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781729 1075866940 /nfs/dbraw/zinc/86/69/40/1075866940.db2.gz SLRPEMKNGYMAAD-UXHICEINSA-N 2 2 410.562 1.813 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781729 1075866945 /nfs/dbraw/zinc/86/69/45/1075866945.db2.gz SLRPEMKNGYMAAD-UXHICEINSA-N 2 2 410.562 1.813 20 0 HDADLP CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000733163023 1075997026 /nfs/dbraw/zinc/99/70/26/1075997026.db2.gz AMIMGJFHXTVKNQ-UHFFFAOYSA-N 2 2 414.547 1.222 20 0 HDADLP CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000733163023 1075997027 /nfs/dbraw/zinc/99/70/27/1075997027.db2.gz AMIMGJFHXTVKNQ-UHFFFAOYSA-N 2 2 414.547 1.222 20 0 HDADLP COC[C@H]1CCC[N@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184910 1076011538 /nfs/dbraw/zinc/01/15/38/1076011538.db2.gz ZABMRXXMVCVTGD-SIKLNZKXSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@H]1CCC[N@@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184910 1076011541 /nfs/dbraw/zinc/01/15/41/1076011541.db2.gz ZABMRXXMVCVTGD-SIKLNZKXSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184910 1076011544 /nfs/dbraw/zinc/01/15/44/1076011544.db2.gz ZABMRXXMVCVTGD-SIKLNZKXSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@H]1CCC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184910 1076011549 /nfs/dbraw/zinc/01/15/49/1076011549.db2.gz ZABMRXXMVCVTGD-SIKLNZKXSA-N 2 2 400.523 1.889 20 0 HDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000536071313 1076255164 /nfs/dbraw/zinc/25/51/64/1076255164.db2.gz RJVGYWZQSFLXHT-IBGZPJMESA-N 2 2 409.490 1.428 20 0 HDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000536071313 1076255169 /nfs/dbraw/zinc/25/51/69/1076255169.db2.gz RJVGYWZQSFLXHT-IBGZPJMESA-N 2 2 409.490 1.428 20 0 HDADLP COCCN(CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000733957248 1076275009 /nfs/dbraw/zinc/27/50/09/1076275009.db2.gz BLOMNCJBRMKROC-SFHVURJKSA-N 2 2 412.575 1.497 20 0 HDADLP COCCN(CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000733957248 1076275013 /nfs/dbraw/zinc/27/50/13/1076275013.db2.gz BLOMNCJBRMKROC-SFHVURJKSA-N 2 2 412.575 1.497 20 0 HDADLP CN(C(=O)/C=C\Sc1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729981210 1076406061 /nfs/dbraw/zinc/40/60/61/1076406061.db2.gz ZHLCKSJKSYJRMO-YVLHZVERSA-N 2 2 416.591 1.989 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000730124547 1076465257 /nfs/dbraw/zinc/46/52/57/1076465257.db2.gz BFUPSKIIZCYNBE-KRWDZBQOSA-N 2 2 409.575 1.854 20 0 HDADLP CCCC[C@@H]1NC(=O)N(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000731209856 1076755856 /nfs/dbraw/zinc/75/58/56/1076755856.db2.gz ZVUQAEVTDWGHCG-SFHVURJKSA-N 2 2 407.559 1.321 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)[nH+]2)CC1 ZINC001164677447 719559523 /nfs/dbraw/zinc/55/95/23/719559523.db2.gz NEUKWDDRRSLARD-IBGZPJMESA-N 2 2 411.550 1.465 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164702334 719867266 /nfs/dbraw/zinc/86/72/66/719867266.db2.gz ILACOSYXRMXEND-DENIHFKCSA-N 2 2 402.539 1.910 20 0 HDADLP CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164721099 720315135 /nfs/dbraw/zinc/31/51/35/720315135.db2.gz DTUQLCLACPABJO-LJQANCHMSA-N 2 2 411.554 1.851 20 0 HDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(C[NH3+])ncn4)CC3)C2=O)cs1 ZINC001164825739 720365178 /nfs/dbraw/zinc/36/51/78/720365178.db2.gz ULFVRUZZFDXVLX-UHFFFAOYSA-N 2 2 401.540 1.013 20 0 HDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(C[NH3+])ncn4)CC3)C2=O)cs1 ZINC001164825739 720365185 /nfs/dbraw/zinc/36/51/85/720365185.db2.gz ULFVRUZZFDXVLX-UHFFFAOYSA-N 2 2 401.540 1.013 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)N5CCCO5)CC[C@@H]43)[nH+]2)CC1 ZINC001164847967 720820605 /nfs/dbraw/zinc/82/06/05/720820605.db2.gz LFJHDIZRRGHREZ-BZSNNMDCSA-N 2 2 401.511 1.124 20 0 HDADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743132 720837017 /nfs/dbraw/zinc/83/70/17/720837017.db2.gz IWFQHSDTOFVLMD-VAMGGRTRSA-N 2 2 424.553 1.284 20 0 HDADLP c1ncn(C[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743132 720837020 /nfs/dbraw/zinc/83/70/20/720837020.db2.gz IWFQHSDTOFVLMD-VAMGGRTRSA-N 2 2 424.553 1.284 20 0 HDADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)n1 ZINC001164774534 721054022 /nfs/dbraw/zinc/05/40/22/721054022.db2.gz VUCGAHNYQBQRRC-VQTJNVASSA-N 2 2 406.534 1.917 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(CCCCN4S(C)(=O)=O)C3)[nH+]2)CC1 ZINC001164890580 721375953 /nfs/dbraw/zinc/37/59/53/721375953.db2.gz OLHZLWPVXBCWAZ-HXUWFJFHSA-N 2 2 407.584 1.618 20 0 HDADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894048 721381801 /nfs/dbraw/zinc/38/18/01/721381801.db2.gz WPAGAHCUNYSTTB-HRAATJIYSA-N 2 2 420.989 1.541 20 0 HDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001165009155 721715611 /nfs/dbraw/zinc/71/56/11/721715611.db2.gz QHVVGIDYYAWJLW-UHFFFAOYSA-N 2 2 400.531 1.449 20 0 HDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(OC3CC[NH2+]CC3)nn1)C2 ZINC001165009155 721715616 /nfs/dbraw/zinc/71/56/16/721715616.db2.gz QHVVGIDYYAWJLW-UHFFFAOYSA-N 2 2 400.531 1.449 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164982800 722102853 /nfs/dbraw/zinc/10/28/53/722102853.db2.gz PDBYXZDMJJFLCC-PMACEKPBSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164982800 722102855 /nfs/dbraw/zinc/10/28/55/722102855.db2.gz PDBYXZDMJJFLCC-PMACEKPBSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164981042 722128809 /nfs/dbraw/zinc/12/88/09/722128809.db2.gz SEQDDBITKPTWGQ-VQTJNVASSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3C2)c1 ZINC001164981042 722128812 /nfs/dbraw/zinc/12/88/12/722128812.db2.gz SEQDDBITKPTWGQ-VQTJNVASSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164981044 722129215 /nfs/dbraw/zinc/12/92/15/722129215.db2.gz SEQDDBITKPTWGQ-WOJBJXKFSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164981044 722129219 /nfs/dbraw/zinc/12/92/19/722129219.db2.gz SEQDDBITKPTWGQ-WOJBJXKFSA-N 2 2 410.522 1.436 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164980528 722129240 /nfs/dbraw/zinc/12/92/40/722129240.db2.gz RRCOPFNWPJSVFY-VXKWHMMOSA-N 3 2 422.577 1.956 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164980528 722129242 /nfs/dbraw/zinc/12/92/42/722129242.db2.gz RRCOPFNWPJSVFY-VXKWHMMOSA-N 3 2 422.577 1.956 20 0 HDADLP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(N4CCCCC4)cc[nH+]2)CC3)CC1 ZINC001164996712 722235599 /nfs/dbraw/zinc/23/55/99/722235599.db2.gz IFDXOOIMBPEHOM-UHFFFAOYSA-N 2 2 408.554 1.614 20 0 HDADLP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000673669484 1073621707 /nfs/dbraw/zinc/62/17/07/1073621707.db2.gz RSZSCNSEFRDXJR-NRFANRHFSA-N 3 2 413.610 1.792 20 0 HDADLP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000673669484 1073621708 /nfs/dbraw/zinc/62/17/08/1073621708.db2.gz RSZSCNSEFRDXJR-NRFANRHFSA-N 3 2 413.610 1.792 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670491 1073624141 /nfs/dbraw/zinc/62/41/41/1073624141.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670491 1073624143 /nfs/dbraw/zinc/62/41/43/1073624143.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670491 1073624146 /nfs/dbraw/zinc/62/41/46/1073624146.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670491 1073624149 /nfs/dbraw/zinc/62/41/49/1073624149.db2.gz XBIXMQNQOAOXEH-JTHBVZDNSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670610 1073625389 /nfs/dbraw/zinc/62/53/89/1073625389.db2.gz ZWSSSDJYTZCJJK-QHCPKHFHSA-N 3 2 413.610 1.826 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670610 1073625394 /nfs/dbraw/zinc/62/53/94/1073625394.db2.gz ZWSSSDJYTZCJJK-QHCPKHFHSA-N 3 2 413.610 1.826 20 0 HDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766023401 1073670441 /nfs/dbraw/zinc/67/04/41/1073670441.db2.gz MRQWOBRYVSQCGJ-RDJZCZTQSA-N 2 2 417.522 1.740 20 0 HDADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c(OCC[NH+](C)C)c1 ZINC000673781619 1073715764 /nfs/dbraw/zinc/71/57/64/1073715764.db2.gz BQSWQSJFYJEFPW-GOSISDBHSA-N 2 2 418.538 1.197 20 0 HDADLP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783357 1073721637 /nfs/dbraw/zinc/72/16/37/1073721637.db2.gz SZQRPJDEPVLECZ-QGZVFWFLSA-N 2 2 404.511 1.019 20 0 HDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000673785074 1073729942 /nfs/dbraw/zinc/72/99/42/1073729942.db2.gz NKPCFCUJBDPGNS-FQEVSTJZSA-N 2 2 402.539 1.790 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839861 1073805631 /nfs/dbraw/zinc/80/56/31/1073805631.db2.gz HDODZXYCFAVNQN-RTWAWAEBSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839861 1073805642 /nfs/dbraw/zinc/80/56/42/1073805642.db2.gz HDODZXYCFAVNQN-RTWAWAEBSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839861 1073805653 /nfs/dbraw/zinc/80/56/53/1073805653.db2.gz HDODZXYCFAVNQN-RTWAWAEBSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839861 1073805658 /nfs/dbraw/zinc/80/56/58/1073805658.db2.gz HDODZXYCFAVNQN-RTWAWAEBSA-N 2 2 404.530 1.313 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509187982 1073994591 /nfs/dbraw/zinc/99/45/91/1073994591.db2.gz YLLUIMWELGAZRH-ROUUACIJSA-N 2 2 400.527 1.844 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509187982 1073994593 /nfs/dbraw/zinc/99/45/93/1073994593.db2.gz YLLUIMWELGAZRH-ROUUACIJSA-N 2 2 400.527 1.844 20 0 HDADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674047001 1074139713 /nfs/dbraw/zinc/13/97/13/1074139713.db2.gz GZMHJOMTVPBETF-GJYPPUQNSA-N 2 2 404.942 1.946 20 0 HDADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674047001 1074139715 /nfs/dbraw/zinc/13/97/15/1074139715.db2.gz GZMHJOMTVPBETF-GJYPPUQNSA-N 2 2 404.942 1.946 20 0 HDADLP O=C(C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674047002 1074140386 /nfs/dbraw/zinc/14/03/86/1074140386.db2.gz GZMHJOMTVPBETF-JTDSTZFVSA-N 2 2 404.942 1.946 20 0 HDADLP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674047002 1074140388 /nfs/dbraw/zinc/14/03/88/1074140388.db2.gz GZMHJOMTVPBETF-JTDSTZFVSA-N 2 2 404.942 1.946 20 0 HDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000674049172 1074143110 /nfs/dbraw/zinc/14/31/10/1074143110.db2.gz KHFCOROIXNGBAP-MDNUFGMLSA-N 2 2 402.583 1.445 20 0 HDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000674049174 1074143577 /nfs/dbraw/zinc/14/35/77/1074143577.db2.gz KHFCOROIXNGBAP-PMVMPFDFSA-N 2 2 402.583 1.445 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1 ZINC000674274378 1074254451 /nfs/dbraw/zinc/25/44/51/1074254451.db2.gz OLDFMKBSYSCDRP-NQIIRXRSSA-N 2 2 408.587 1.915 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1 ZINC000674274378 1074254453 /nfs/dbraw/zinc/25/44/53/1074254453.db2.gz OLDFMKBSYSCDRP-NQIIRXRSSA-N 2 2 408.587 1.915 20 0 HDADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000670483959 1074568559 /nfs/dbraw/zinc/56/85/59/1074568559.db2.gz FKDIPWOZCDIXRQ-FQEVSTJZSA-N 2 2 407.518 1.557 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101827 1074718027 /nfs/dbraw/zinc/71/80/27/1074718027.db2.gz APXAGMSDHTZARH-CVEARBPZSA-N 2 2 406.962 1.781 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101827 1074718033 /nfs/dbraw/zinc/71/80/33/1074718033.db2.gz APXAGMSDHTZARH-CVEARBPZSA-N 2 2 406.962 1.781 20 0 HDADLP COc1ccc(C[NH+]2CCN(C(=O)CN3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000675499565 1075180362 /nfs/dbraw/zinc/18/03/62/1075180362.db2.gz LLSLGDUAYDGKHP-UHFFFAOYSA-N 2 2 409.534 1.557 20 0 HDADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccccc1 ZINC000438302060 1075210542 /nfs/dbraw/zinc/21/05/42/1075210542.db2.gz HQMKVIYTODQTKP-HXUWFJFHSA-N 2 2 414.554 2.420 20 0 HDADLP Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000675605270 1075221389 /nfs/dbraw/zinc/22/13/89/1075221389.db2.gz LDTALJFHGRWIFO-GOSISDBHSA-N 2 2 402.539 1.447 20 0 HDADLP Cc1ccc(C(=O)NCCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000675605270 1075221395 /nfs/dbraw/zinc/22/13/95/1075221395.db2.gz LDTALJFHGRWIFO-GOSISDBHSA-N 2 2 402.539 1.447 20 0 HDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000675886310 1075289485 /nfs/dbraw/zinc/28/94/85/1075289485.db2.gz QRTHJTRXQJBKBY-YLJYHZDGSA-N 2 2 410.584 1.505 20 0 HDADLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000675887157 1075289832 /nfs/dbraw/zinc/28/98/32/1075289832.db2.gz YHOBGNHDFZNHND-TZIWHRDSSA-N 2 2 418.582 1.601 20 0 HDADLP Cc1ccc(NCCCNC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)[nH+]c1 ZINC000548444918 1075305422 /nfs/dbraw/zinc/30/54/22/1075305422.db2.gz AUFFYMUNWMGOPK-OAQYLSRUSA-N 2 2 410.566 2.480 20 0 HDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250051 1075466799 /nfs/dbraw/zinc/46/67/99/1075466799.db2.gz VIASQGNVGVZRTI-KNBMTAEXSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250051 1075466802 /nfs/dbraw/zinc/46/68/02/1075466802.db2.gz VIASQGNVGVZRTI-KNBMTAEXSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250051 1075466808 /nfs/dbraw/zinc/46/68/08/1075466808.db2.gz VIASQGNVGVZRTI-KNBMTAEXSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250051 1075466814 /nfs/dbraw/zinc/46/68/14/1075466814.db2.gz VIASQGNVGVZRTI-KNBMTAEXSA-N 2 2 406.527 1.296 20 0 HDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000676271065 1075473374 /nfs/dbraw/zinc/47/33/74/1075473374.db2.gz ZJXJPOVWBWELME-UHFFFAOYSA-N 2 2 403.527 1.498 20 0 HDADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000676271065 1075473376 /nfs/dbraw/zinc/47/33/76/1075473376.db2.gz ZJXJPOVWBWELME-UHFFFAOYSA-N 2 2 403.527 1.498 20 0 HDADLP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000447450664 1075476975 /nfs/dbraw/zinc/47/69/75/1075476975.db2.gz LGXPHHIKRALZOG-UHFFFAOYSA-N 2 2 406.446 1.979 20 0 HDADLP CC[NH+]1CCN(C(=O)CC2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)CC1 ZINC000676309701 1075503512 /nfs/dbraw/zinc/50/35/12/1075503512.db2.gz DWSLZAQAIXVTPQ-UHFFFAOYSA-N 2 2 402.543 1.084 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000731761356 1075515370 /nfs/dbraw/zinc/51/53/70/1075515370.db2.gz HUWXVIKHPIJAGK-SFHVURJKSA-N 2 2 400.589 1.155 20 0 HDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000676357850 1075531550 /nfs/dbraw/zinc/53/15/50/1075531550.db2.gz HXJJVOJUJIOUCU-HXUWFJFHSA-N 3 2 420.646 1.355 20 0 HDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000676357850 1075531556 /nfs/dbraw/zinc/53/15/56/1075531556.db2.gz HXJJVOJUJIOUCU-HXUWFJFHSA-N 3 2 420.646 1.355 20 0 HDADLP CCN1C(=O)N=NC1C1CC[NH+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000676359973 1075532753 /nfs/dbraw/zinc/53/27/53/1075532753.db2.gz NIPJILBMPWKGJR-MRXNPFEDSA-N 2 2 413.526 1.315 20 0 HDADLP Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)c2)cc[nH+]1 ZINC000544558609 1075536528 /nfs/dbraw/zinc/53/65/28/1075536528.db2.gz SIDROGYSORIASE-HXUWFJFHSA-N 2 2 422.533 1.776 20 0 HDADLP Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)c2)cc[nH+]1 ZINC000544558609 1075536531 /nfs/dbraw/zinc/53/65/31/1075536531.db2.gz SIDROGYSORIASE-HXUWFJFHSA-N 2 2 422.533 1.776 20 0 HDADLP CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676426332 1075546804 /nfs/dbraw/zinc/54/68/04/1075546804.db2.gz MAZMLFIMJKLJCU-FQEVSTJZSA-N 2 2 416.570 1.182 20 0 HDADLP CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676426332 1075546810 /nfs/dbraw/zinc/54/68/10/1075546810.db2.gz MAZMLFIMJKLJCU-FQEVSTJZSA-N 2 2 416.570 1.182 20 0 HDADLP C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000562218269 1075589616 /nfs/dbraw/zinc/58/96/16/1075589616.db2.gz RMKAOVYHPLKPPN-YLJYHZDGSA-N 2 2 400.527 2.028 20 0 HDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507187808 1075704387 /nfs/dbraw/zinc/70/43/87/1075704387.db2.gz MGNBDPZSCMWLRQ-QGZVFWFLSA-N 2 2 404.474 1.939 20 0 HDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507187808 1075704395 /nfs/dbraw/zinc/70/43/95/1075704395.db2.gz MGNBDPZSCMWLRQ-QGZVFWFLSA-N 2 2 404.474 1.939 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000535552007 1075732171 /nfs/dbraw/zinc/73/21/71/1075732171.db2.gz PQWCIMIWBREGSW-AEFFLSMTSA-N 2 2 418.929 1.598 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000535552007 1075732174 /nfs/dbraw/zinc/73/21/74/1075732174.db2.gz PQWCIMIWBREGSW-AEFFLSMTSA-N 2 2 418.929 1.598 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559546 1075786862 /nfs/dbraw/zinc/78/68/62/1075786862.db2.gz NWYDZPYXZBLDHS-HOTGVXAUSA-N 2 2 420.476 1.777 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559546 1075786868 /nfs/dbraw/zinc/78/68/68/1075786868.db2.gz NWYDZPYXZBLDHS-HOTGVXAUSA-N 2 2 420.476 1.777 20 0 HDADLP CC(=O)[C@H]1CC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563639 1075789331 /nfs/dbraw/zinc/78/93/31/1075789331.db2.gz LYPHQMCVZQHUFI-IFMALSPDSA-N 2 2 411.550 1.837 20 0 HDADLP CC(=O)[C@H]1CC(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563639 1075789334 /nfs/dbraw/zinc/78/93/34/1075789334.db2.gz LYPHQMCVZQHUFI-IFMALSPDSA-N 2 2 411.550 1.837 20 0 HDADLP CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732563635 1075789448 /nfs/dbraw/zinc/78/94/48/1075789448.db2.gz LWTWTNDCJAFFFF-FQEVSTJZSA-N 2 2 411.550 1.792 20 0 HDADLP CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732563635 1075789453 /nfs/dbraw/zinc/78/94/53/1075789453.db2.gz LWTWTNDCJAFFFF-FQEVSTJZSA-N 2 2 411.550 1.792 20 0 HDADLP COC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000732780980 1075865333 /nfs/dbraw/zinc/86/53/33/1075865333.db2.gz NYOBZGXBJINSPK-QGZVFWFLSA-N 2 2 424.586 1.687 20 0 HDADLP COC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000732780980 1075865335 /nfs/dbraw/zinc/86/53/35/1075865335.db2.gz NYOBZGXBJINSPK-QGZVFWFLSA-N 2 2 424.586 1.687 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1 ZINC000732780706 1075865857 /nfs/dbraw/zinc/86/58/57/1075865857.db2.gz MGWSQCQNFHZEGJ-KRWDZBQOSA-N 2 2 400.523 1.477 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1 ZINC000732780706 1075865861 /nfs/dbraw/zinc/86/58/61/1075865861.db2.gz MGWSQCQNFHZEGJ-KRWDZBQOSA-N 2 2 400.523 1.477 20 0 HDADLP COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000611180925 1075868483 /nfs/dbraw/zinc/86/84/83/1075868483.db2.gz JPCPEKGYMMNPBX-UHFFFAOYSA-N 2 2 416.566 1.926 20 0 HDADLP Cc1cc(=O)oc2cc(OCC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)ccc12 ZINC000733164085 1075997807 /nfs/dbraw/zinc/99/78/07/1075997807.db2.gz LSCXMPBUIIURTE-UHFFFAOYSA-N 2 2 401.507 1.965 20 0 HDADLP Cc1cc(=O)oc2cc(OCC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)ccc12 ZINC000733164085 1075997809 /nfs/dbraw/zinc/99/78/09/1075997809.db2.gz LSCXMPBUIIURTE-UHFFFAOYSA-N 2 2 401.507 1.965 20 0 HDADLP COC[C@@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184909 1076011495 /nfs/dbraw/zinc/01/14/95/1076011495.db2.gz ZABMRXXMVCVTGD-KNQAVFIVSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184909 1076011505 /nfs/dbraw/zinc/01/15/05/1076011505.db2.gz ZABMRXXMVCVTGD-KNQAVFIVSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184909 1076011512 /nfs/dbraw/zinc/01/15/12/1076011512.db2.gz ZABMRXXMVCVTGD-KNQAVFIVSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184909 1076011517 /nfs/dbraw/zinc/01/15/17/1076011517.db2.gz ZABMRXXMVCVTGD-KNQAVFIVSA-N 2 2 400.523 1.889 20 0 HDADLP C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3c(c2=O)CC[NH+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125113 1076017672 /nfs/dbraw/zinc/01/76/72/1076017672.db2.gz QPKVBZNZRCQHQJ-WSTZPKSXSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc3c(c2=O)CC[NH+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125113 1076017676 /nfs/dbraw/zinc/01/76/76/1076017676.db2.gz QPKVBZNZRCQHQJ-WSTZPKSXSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125113 1076017681 /nfs/dbraw/zinc/01/76/81/1076017681.db2.gz QPKVBZNZRCQHQJ-WSTZPKSXSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125113 1076017686 /nfs/dbraw/zinc/01/76/86/1076017686.db2.gz QPKVBZNZRCQHQJ-WSTZPKSXSA-N 2 2 412.534 1.272 20 0 HDADLP CNC(=O)C1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000053847002 1076059937 /nfs/dbraw/zinc/05/99/37/1076059937.db2.gz QKIFYKAXLPYTGA-UHFFFAOYSA-N 2 2 408.546 1.942 20 0 HDADLP C[C@@H]1C[NH+](CCOC2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C[C@@H](C)O1 ZINC000543691354 1076413136 /nfs/dbraw/zinc/41/31/36/1076413136.db2.gz BONBOXPUVHBMQO-QZTJIDSGSA-N 2 2 404.555 1.879 20 0 HDADLP O=C(c1cccnc1N1CC[C@H]2[NH2+]CCO[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164390043 718823512 /nfs/dbraw/zinc/82/35/12/718823512.db2.gz LGYPANUCVBMCDK-FGZHOGPDSA-N 2 2 421.545 1.607 20 0 HDADLP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCNC(=O)C34C[NH2+]C4)c2c1C ZINC001164411041 718878760 /nfs/dbraw/zinc/87/87/60/718878760.db2.gz LRPVLTXGMQIUJI-UHFFFAOYSA-N 2 2 400.552 1.572 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)CC4CC4)[C@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164654807 719325281 /nfs/dbraw/zinc/32/52/81/719325281.db2.gz MYWSFLFSNPQKPK-YYDVJCTNSA-N 2 2 413.566 1.734 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCOC[C@@]4(CC[C@H](Cn5cccn5)O4)C3)[nH+]2)CC1 ZINC001164803246 720049809 /nfs/dbraw/zinc/04/98/09/720049809.db2.gz JRDSBGDKTFLPLW-DENIHFKCSA-N 2 2 412.538 1.485 20 0 HDADLP O=C(c1nn(-c2nc(Cl)ccc2C[NH+]2CCCC2)c2c1C[NH2+]C2)N1CCOCC1 ZINC001164815104 720247857 /nfs/dbraw/zinc/24/78/57/720247857.db2.gz AIPULWIMTUQTPB-UHFFFAOYSA-N 2 2 416.913 1.592 20 0 HDADLP CN(C)C(=O)COC[C@@H]1CC[C@@H]2[C@H](CCN2c2cccc(N3CC[NH+](C)CC3)[nH+]2)O1 ZINC001164724941 720322634 /nfs/dbraw/zinc/32/26/34/720322634.db2.gz STNHQTDYSXWKFC-OTWHNJEPSA-N 2 2 417.554 1.065 20 0 HDADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164750573 720960847 /nfs/dbraw/zinc/96/08/47/720960847.db2.gz LAMGRFWSADCRIU-AATRIKPKSA-N 2 2 413.478 1.418 20 0 HDADLP C[C@@H]1CCCN(c2cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nc[nH+]2)C1 ZINC001164754742 720965754 /nfs/dbraw/zinc/96/57/54/720965754.db2.gz WOCWYFLWHGYPIZ-OAHLLOKOSA-N 2 2 413.526 1.555 20 0 HDADLP C[C@@H]1CCCN(c2cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)[nH+]cn2)C1 ZINC001164754742 720965767 /nfs/dbraw/zinc/96/57/67/720965767.db2.gz WOCWYFLWHGYPIZ-OAHLLOKOSA-N 2 2 413.526 1.555 20 0 HDADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164869827 721271989 /nfs/dbraw/zinc/27/19/89/721271989.db2.gz PAQCEEKDQRNETG-UHFFFAOYSA-N 2 2 418.538 1.492 20 0 HDADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869827 721271995 /nfs/dbraw/zinc/27/19/95/721271995.db2.gz PAQCEEKDQRNETG-UHFFFAOYSA-N 2 2 418.538 1.492 20 0 HDADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891883 721390353 /nfs/dbraw/zinc/39/03/53/721390353.db2.gz RDGMGZPKJVDBAZ-IERDGZPVSA-N 2 2 420.989 1.541 20 0 HDADLP CCOC1CC(CNC(=O)NCc2cccc(C[NH+](C)C)c2)([NH+]2CCOCC2)C1 ZINC000429099316 1073573998 /nfs/dbraw/zinc/57/39/98/1073573998.db2.gz QSEQOVPHJKEKCH-UHFFFAOYSA-N 2 2 404.555 1.817 20 0 HDADLP CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668856 1073623286 /nfs/dbraw/zinc/62/32/86/1073623286.db2.gz BFRLDPVITNZQCO-QUCCMNQESA-N 2 2 412.534 1.132 20 0 HDADLP CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668856 1073623290 /nfs/dbraw/zinc/62/32/90/1073623290.db2.gz BFRLDPVITNZQCO-QUCCMNQESA-N 2 2 412.534 1.132 20 0 HDADLP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000673757441 1073692334 /nfs/dbraw/zinc/69/23/34/1073692334.db2.gz QFELFDYOUALJCL-FQEVSTJZSA-N 2 2 402.583 1.810 20 0 HDADLP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000673757441 1073692337 /nfs/dbraw/zinc/69/23/37/1073692337.db2.gz QFELFDYOUALJCL-FQEVSTJZSA-N 2 2 402.583 1.810 20 0 HDADLP CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673837177 1073811373 /nfs/dbraw/zinc/81/13/73/1073811373.db2.gz DZQFEAKCCWYAQP-SFHVURJKSA-N 2 2 417.945 1.620 20 0 HDADLP CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673837177 1073811383 /nfs/dbraw/zinc/81/13/83/1073811383.db2.gz DZQFEAKCCWYAQP-SFHVURJKSA-N 2 2 417.945 1.620 20 0 HDADLP CC1CC[NH+](Cc2csc(NC(=O)CN3CC[NH+](C(C)(C)CO)CC3)n2)CC1 ZINC000673894643 1073865081 /nfs/dbraw/zinc/86/50/81/1073865081.db2.gz FEBQJGUDEIABOD-UHFFFAOYSA-N 2 2 409.600 1.702 20 0 HDADLP Cc1cc(N2CCC(NC(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)nc(C)[nH+]1 ZINC000674188595 1074203300 /nfs/dbraw/zinc/20/33/00/1074203300.db2.gz VREFIFADBOUAEW-IBGZPJMESA-N 2 2 402.543 1.568 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329619 1074275205 /nfs/dbraw/zinc/27/52/05/1074275205.db2.gz HGPIVJUCQBRDSF-RXVVDRJESA-N 2 2 404.555 1.686 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329619 1074275212 /nfs/dbraw/zinc/27/52/12/1074275212.db2.gz HGPIVJUCQBRDSF-RXVVDRJESA-N 2 2 404.555 1.686 20 0 HDADLP CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000674631189 1074495046 /nfs/dbraw/zinc/49/50/46/1074495046.db2.gz MKJPSZOZFCYIFE-GHTZIAJQSA-N 2 2 413.566 1.992 20 0 HDADLP CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000674631189 1074495051 /nfs/dbraw/zinc/49/50/51/1074495051.db2.gz MKJPSZOZFCYIFE-GHTZIAJQSA-N 2 2 413.566 1.992 20 0 HDADLP Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674667567 1074512245 /nfs/dbraw/zinc/51/22/45/1074512245.db2.gz JNWCXVMPWXAHDX-MRXNPFEDSA-N 2 2 412.556 1.079 20 0 HDADLP Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674667567 1074512249 /nfs/dbraw/zinc/51/22/49/1074512249.db2.gz JNWCXVMPWXAHDX-MRXNPFEDSA-N 2 2 412.556 1.079 20 0 HDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(OCCCO)CC3)CC2)cc1 ZINC000674914227 1074612883 /nfs/dbraw/zinc/61/28/83/1074612883.db2.gz UBZNQWLOHPUBBF-UHFFFAOYSA-N 2 2 419.566 1.593 20 0 HDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(OCCCO)CC3)CC2)cc1 ZINC000674914227 1074612890 /nfs/dbraw/zinc/61/28/90/1074612890.db2.gz UBZNQWLOHPUBBF-UHFFFAOYSA-N 2 2 419.566 1.593 20 0 HDADLP COC(=O)CCCc1nnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000444862844 1074706483 /nfs/dbraw/zinc/70/64/83/1074706483.db2.gz WNLUHLOMVITHEO-UHFFFAOYSA-N 2 2 424.571 1.714 20 0 HDADLP COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537255292 1074748613 /nfs/dbraw/zinc/74/86/13/1074748613.db2.gz SSBUBRJSTPCWTI-QZTJIDSGSA-N 2 2 420.558 1.857 20 0 HDADLP COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537255292 1074748623 /nfs/dbraw/zinc/74/86/23/1074748623.db2.gz SSBUBRJSTPCWTI-QZTJIDSGSA-N 2 2 420.558 1.857 20 0 HDADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615591 1074754160 /nfs/dbraw/zinc/75/41/60/1074754160.db2.gz ZVOPCSGIRPBDOE-IAGOWNOFSA-N 2 2 402.543 1.711 20 0 HDADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615591 1074754168 /nfs/dbraw/zinc/75/41/68/1074754168.db2.gz ZVOPCSGIRPBDOE-IAGOWNOFSA-N 2 2 402.543 1.711 20 0 HDADLP C[NH+](C)[C@]1(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCSC1 ZINC000543617449 1074759070 /nfs/dbraw/zinc/75/90/70/1074759070.db2.gz VUTVVOWGQUIGQD-IBGZPJMESA-N 2 2 406.556 1.028 20 0 HDADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000574554186 1074781498 /nfs/dbraw/zinc/78/14/98/1074781498.db2.gz AZENYQPRUFEMKG-KRWDZBQOSA-N 2 2 402.499 1.767 20 0 HDADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000675499601 1075180385 /nfs/dbraw/zinc/18/03/85/1075180385.db2.gz NWTORRRONJSJPL-CVEARBPZSA-N 2 2 417.535 1.117 20 0 HDADLP COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675606178 1075222338 /nfs/dbraw/zinc/22/23/38/1075222338.db2.gz XKODIAZWEJYAEM-GOSISDBHSA-N 2 2 418.538 1.061 20 0 HDADLP COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675606178 1075222342 /nfs/dbraw/zinc/22/23/42/1075222342.db2.gz XKODIAZWEJYAEM-GOSISDBHSA-N 2 2 418.538 1.061 20 0 HDADLP Cn1cc[nH+]c1C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000675996168 1075320099 /nfs/dbraw/zinc/32/00/99/1075320099.db2.gz GRKQKMVLJZVGKW-PMACEKPBSA-N 2 2 424.549 1.652 20 0 HDADLP Cn1cc[nH+]c1C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000675996168 1075320101 /nfs/dbraw/zinc/32/01/01/1075320101.db2.gz GRKQKMVLJZVGKW-PMACEKPBSA-N 2 2 424.549 1.652 20 0 HDADLP Cc1ccc([C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[NH+](C)C)cc1 ZINC000605429575 1075330963 /nfs/dbraw/zinc/33/09/63/1075330963.db2.gz XCPXCFIJWSWGNJ-LJQANCHMSA-N 2 2 400.527 1.948 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731651080 1075434031 /nfs/dbraw/zinc/43/40/31/1075434031.db2.gz WBIUUNAZNLPDMG-IBGZPJMESA-N 2 2 407.580 1.524 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000731651080 1075434041 /nfs/dbraw/zinc/43/40/41/1075434041.db2.gz WBIUUNAZNLPDMG-IBGZPJMESA-N 2 2 407.580 1.524 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676243100 1075444935 /nfs/dbraw/zinc/44/49/35/1075444935.db2.gz IKHMWYKDJSYDNX-RXVVDRJESA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676243100 1075444939 /nfs/dbraw/zinc/44/49/39/1075444939.db2.gz IKHMWYKDJSYDNX-RXVVDRJESA-N 2 2 403.571 1.342 20 0 HDADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246457 1075447868 /nfs/dbraw/zinc/44/78/68/1075447868.db2.gz UKIAXOPFZJSAAX-PXNSSMCTSA-N 2 2 423.989 1.870 20 0 HDADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246457 1075447870 /nfs/dbraw/zinc/44/78/70/1075447870.db2.gz UKIAXOPFZJSAAX-PXNSSMCTSA-N 2 2 423.989 1.870 20 0 HDADLP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CCCCCC1 ZINC000731680333 1075462441 /nfs/dbraw/zinc/46/24/41/1075462441.db2.gz KEQALLWANIJDLF-UHFFFAOYSA-N 2 2 402.605 1.449 20 0 HDADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682719 1075467069 /nfs/dbraw/zinc/46/70/69/1075467069.db2.gz SPGBNWUGVQQNMW-ROUUACIJSA-N 2 2 416.632 1.553 20 0 HDADLP C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000676293660 1075497698 /nfs/dbraw/zinc/49/76/98/1075497698.db2.gz YUIZDERQYUQKJT-FTRWYGJKSA-N 2 2 407.534 1.657 20 0 HDADLP C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000676293660 1075497700 /nfs/dbraw/zinc/49/77/00/1075497700.db2.gz YUIZDERQYUQKJT-FTRWYGJKSA-N 2 2 407.534 1.657 20 0 HDADLP CCc1ccc([C@@H](CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)[NH+](C)C)cc1 ZINC000438321412 1075523340 /nfs/dbraw/zinc/52/33/40/1075523340.db2.gz MCEWVDQAIQFMFD-HXUWFJFHSA-N 2 2 414.554 2.202 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509416855 1075565776 /nfs/dbraw/zinc/56/57/76/1075565776.db2.gz NUFNMGWGHHONLH-UXHICEINSA-N 2 2 410.603 1.897 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509416855 1075565781 /nfs/dbraw/zinc/56/57/81/1075565781.db2.gz NUFNMGWGHHONLH-UXHICEINSA-N 2 2 410.603 1.897 20 0 HDADLP COC(=O)c1ccsc1N1CC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000466736258 1075606903 /nfs/dbraw/zinc/60/69/03/1075606903.db2.gz QTEBODWBPFEJOP-QGZVFWFLSA-N 2 2 407.536 1.684 20 0 HDADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000676684108 1075647262 /nfs/dbraw/zinc/64/72/62/1075647262.db2.gz APUFBTYBMMDWTN-SFHVURJKSA-N 2 2 402.587 1.932 20 0 HDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467839 1075755289 /nfs/dbraw/zinc/75/52/89/1075755289.db2.gz YUURVYZRHDDLRP-PCCBWWKXSA-N 2 2 402.539 1.092 20 0 HDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467839 1075755294 /nfs/dbraw/zinc/75/52/94/1075755294.db2.gz YUURVYZRHDDLRP-PCCBWWKXSA-N 2 2 402.539 1.092 20 0 HDADLP C[NH+]1CCC(CNC(=O)Nc2ncn(Cc3ccccc3)n2)([NH+]2CCCCC2)CC1 ZINC000583182443 1075776927 /nfs/dbraw/zinc/77/69/27/1075776927.db2.gz WQGQZPDLNJJHIP-UHFFFAOYSA-N 2 2 411.554 2.398 20 0 HDADLP CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559281 1075785731 /nfs/dbraw/zinc/78/57/31/1075785731.db2.gz KLZYNRJRQAQHHK-OXJNMPFZSA-N 2 2 402.514 1.806 20 0 HDADLP CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559281 1075785736 /nfs/dbraw/zinc/78/57/36/1075785736.db2.gz KLZYNRJRQAQHHK-OXJNMPFZSA-N 2 2 402.514 1.806 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559547 1075787048 /nfs/dbraw/zinc/78/70/48/1075787048.db2.gz NWYDZPYXZBLDHS-HZPDHXFCSA-N 2 2 420.476 1.777 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559547 1075787053 /nfs/dbraw/zinc/78/70/53/1075787053.db2.gz NWYDZPYXZBLDHS-HZPDHXFCSA-N 2 2 420.476 1.777 20 0 HDADLP O=S(=O)(CC[NH2+]Cc1scnc1C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000486975355 1075791342 /nfs/dbraw/zinc/79/13/42/1075791342.db2.gz YNNPKPDFIGYHFU-UHFFFAOYSA-N 2 2 407.565 1.657 20 0 HDADLP O=C([C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1)N1CCOCC1 ZINC000509275790 1075800936 /nfs/dbraw/zinc/80/09/36/1075800936.db2.gz GZAXABGLZOFRMP-NRFANRHFSA-N 2 2 400.567 1.770 20 0 HDADLP O=C([C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1)N1CCOCC1 ZINC000509275790 1075800941 /nfs/dbraw/zinc/80/09/41/1075800941.db2.gz GZAXABGLZOFRMP-NRFANRHFSA-N 2 2 400.567 1.770 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000732721757 1075843649 /nfs/dbraw/zinc/84/36/49/1075843649.db2.gz VFEBRKGDFMUFHY-KRWDZBQOSA-N 2 2 404.580 1.633 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000732721757 1075843652 /nfs/dbraw/zinc/84/36/52/1075843652.db2.gz VFEBRKGDFMUFHY-KRWDZBQOSA-N 2 2 404.580 1.633 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000611110083 1075846148 /nfs/dbraw/zinc/84/61/48/1075846148.db2.gz RCBLVWKICOCDBW-QZTJIDSGSA-N 2 2 403.589 1.538 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000611110083 1075846154 /nfs/dbraw/zinc/84/61/54/1075846154.db2.gz RCBLVWKICOCDBW-QZTJIDSGSA-N 2 2 403.589 1.538 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000611110085 1075846259 /nfs/dbraw/zinc/84/62/59/1075846259.db2.gz RCBLVWKICOCDBW-ZWKOTPCHSA-N 2 2 403.589 1.538 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000611110085 1075846266 /nfs/dbraw/zinc/84/62/66/1075846266.db2.gz RCBLVWKICOCDBW-ZWKOTPCHSA-N 2 2 403.589 1.538 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779216 1075863691 /nfs/dbraw/zinc/86/36/91/1075863691.db2.gz ASBDQNGVJFANGI-MOTZXUDYSA-N 2 2 406.552 1.356 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779216 1075863696 /nfs/dbraw/zinc/86/36/96/1075863696.db2.gz ASBDQNGVJFANGI-MOTZXUDYSA-N 2 2 406.552 1.356 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1 ZINC000732835056 1075874884 /nfs/dbraw/zinc/87/48/84/1075874884.db2.gz VEEQTGKALPHAKR-QMDZLVRISA-N 2 2 420.579 1.252 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C\c3ccccc3)C2)CC1 ZINC000732835056 1075874885 /nfs/dbraw/zinc/87/48/85/1075874885.db2.gz VEEQTGKALPHAKR-QMDZLVRISA-N 2 2 420.579 1.252 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CSCN3C(=O)OC(C)(C)C)CC2)CC1 ZINC000727153293 1076053763 /nfs/dbraw/zinc/05/37/63/1076053763.db2.gz JZIVWSHIGKUXEQ-QGZVFWFLSA-N 2 2 412.600 1.971 20 0 HDADLP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000733898291 1076259075 /nfs/dbraw/zinc/25/90/75/1076259075.db2.gz HWBKUMGXDMWLHC-KRWDZBQOSA-N 2 2 404.515 1.111 20 0 HDADLP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000733898291 1076259078 /nfs/dbraw/zinc/25/90/78/1076259078.db2.gz HWBKUMGXDMWLHC-KRWDZBQOSA-N 2 2 404.515 1.111 20 0 HDADLP O=C(c1cccnc1N1CC[C@H]2[NH2+]CCO[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164390045 718823646 /nfs/dbraw/zinc/82/36/46/718823646.db2.gz LGYPANUCVBMCDK-YADHBBJMSA-N 2 2 421.545 1.607 20 0 HDADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811775 720142099 /nfs/dbraw/zinc/14/20/99/720142099.db2.gz NGWQXACBCMJFLG-AVRDEDQJSA-N 3 2 400.571 1.589 20 0 HDADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811775 720142103 /nfs/dbraw/zinc/14/21/03/720142103.db2.gz NGWQXACBCMJFLG-AVRDEDQJSA-N 3 2 400.571 1.589 20 0 HDADLP CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@H](CCN2c2cccc(N3CC[NH+](C)CC3)[nH+]2)O1 ZINC001164724942 720322473 /nfs/dbraw/zinc/32/24/73/720322473.db2.gz STNHQTDYSXWKFC-QRVBRYPASA-N 2 2 417.554 1.065 20 0 HDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(-n3ccnc3)cc[nH+]1)C2 ZINC001164834514 720476870 /nfs/dbraw/zinc/47/68/70/720476870.db2.gz SXUUQQIAFTVSLZ-SFHVURJKSA-N 2 2 423.521 1.453 20 0 HDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001165010383 721718194 /nfs/dbraw/zinc/71/81/94/721718194.db2.gz GWAQJVVWAGVJIJ-UHFFFAOYSA-N 2 2 414.558 1.697 20 0 HDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(OCC3CC[NH2+]CC3)nn1)C2 ZINC001165010383 721718196 /nfs/dbraw/zinc/71/81/96/721718196.db2.gz GWAQJVVWAGVJIJ-UHFFFAOYSA-N 2 2 414.558 1.697 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165009584 721740220 /nfs/dbraw/zinc/74/02/20/721740220.db2.gz GIIVMHRVUMFLHF-UHFFFAOYSA-N 2 2 400.483 1.268 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164982803 722102960 /nfs/dbraw/zinc/10/29/60/722102960.db2.gz PDBYXZDMJJFLCC-VQTJNVASSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@H]3C2)c1 ZINC001164982803 722102963 /nfs/dbraw/zinc/10/29/63/722102963.db2.gz PDBYXZDMJJFLCC-VQTJNVASSA-N 2 2 410.522 1.436 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978052 722130326 /nfs/dbraw/zinc/13/03/26/722130326.db2.gz JKLVGYDNZKTHPH-CTNGQTDRSA-N 3 2 423.565 1.526 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978052 722130331 /nfs/dbraw/zinc/13/03/31/722130331.db2.gz JKLVGYDNZKTHPH-CTNGQTDRSA-N 3 2 423.565 1.526 20 0 HDADLP COCCO[C@@H]1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]1Cc1cnn(C)c1 ZINC001164998728 722224150 /nfs/dbraw/zinc/22/41/50/722224150.db2.gz DYVJUCCJJJYZNV-VQTJNVASSA-N 2 2 414.554 1.420 20 0 HDADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673659327 1073609584 /nfs/dbraw/zinc/60/95/84/1073609584.db2.gz RUSIKZQMHDHVOU-NRFANRHFSA-N 2 2 423.565 1.555 20 0 HDADLP O=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673659327 1073609596 /nfs/dbraw/zinc/60/95/96/1073609596.db2.gz RUSIKZQMHDHVOU-NRFANRHFSA-N 2 2 423.565 1.555 20 0 HDADLP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000673669485 1073621595 /nfs/dbraw/zinc/62/15/95/1073621595.db2.gz RSZSCNSEFRDXJR-OAQYLSRUSA-N 3 2 413.610 1.792 20 0 HDADLP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)c1 ZINC000673669485 1073621601 /nfs/dbraw/zinc/62/16/01/1073621601.db2.gz RSZSCNSEFRDXJR-OAQYLSRUSA-N 3 2 413.610 1.792 20 0 HDADLP COC(=O)C[C@](C)([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000509139342 1073707546 /nfs/dbraw/zinc/70/75/46/1073707546.db2.gz NOWHBMYBBMNXQC-QFIPXVFZSA-N 2 2 411.506 1.583 20 0 HDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)c2C1 ZINC000673785730 1073730684 /nfs/dbraw/zinc/73/06/84/1073730684.db2.gz YBLWTRQBAKJBAG-GOSISDBHSA-N 2 2 400.523 1.674 20 0 HDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)c2C1 ZINC000673785730 1073730686 /nfs/dbraw/zinc/73/06/86/1073730686.db2.gz YBLWTRQBAKJBAG-GOSISDBHSA-N 2 2 400.523 1.674 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839899 1073805009 /nfs/dbraw/zinc/80/50/09/1073805009.db2.gz IENDJQSAOGFNBO-FGZHOGPDSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839899 1073805020 /nfs/dbraw/zinc/80/50/20/1073805020.db2.gz IENDJQSAOGFNBO-FGZHOGPDSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839899 1073805029 /nfs/dbraw/zinc/80/50/29/1073805029.db2.gz IENDJQSAOGFNBO-FGZHOGPDSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839899 1073805041 /nfs/dbraw/zinc/80/50/41/1073805041.db2.gz IENDJQSAOGFNBO-FGZHOGPDSA-N 2 2 418.557 1.703 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509187977 1073994581 /nfs/dbraw/zinc/99/45/81/1073994581.db2.gz YLLUIMWELGAZRH-QZTJIDSGSA-N 2 2 400.527 1.844 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509187977 1073994582 /nfs/dbraw/zinc/99/45/82/1073994582.db2.gz YLLUIMWELGAZRH-QZTJIDSGSA-N 2 2 400.527 1.844 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545298 1074058908 /nfs/dbraw/zinc/05/89/08/1074058908.db2.gz JWMCNMJYFNZDOR-IEBWSBKVSA-N 2 2 400.527 1.391 20 0 HDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545298 1074058918 /nfs/dbraw/zinc/05/89/18/1074058918.db2.gz JWMCNMJYFNZDOR-IEBWSBKVSA-N 2 2 400.527 1.391 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000674330388 1074285752 /nfs/dbraw/zinc/28/57/52/1074285752.db2.gz ILTBYBVQTSVSDV-GOSISDBHSA-N 2 2 404.559 1.856 20 0 HDADLP COc1cc(NC(=O)CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000674434839 1074333266 /nfs/dbraw/zinc/33/32/66/1074333266.db2.gz NLZTVADYSBSRDK-OAHLLOKOSA-N 2 2 419.526 1.110 20 0 HDADLP COc1cc(NC(=O)CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000674434839 1074333275 /nfs/dbraw/zinc/33/32/75/1074333275.db2.gz NLZTVADYSBSRDK-OAHLLOKOSA-N 2 2 419.526 1.110 20 0 HDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000674882514 1074601159 /nfs/dbraw/zinc/60/11/59/1074601159.db2.gz OSUZSLJOWSGITC-HSZRJFAPSA-N 3 2 415.626 1.715 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926512 1074624221 /nfs/dbraw/zinc/62/42/21/1074624221.db2.gz BSVIFQVWWLYLDN-WMZOPIPTSA-N 2 2 415.538 1.268 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926512 1074624231 /nfs/dbraw/zinc/62/42/31/1074624231.db2.gz BSVIFQVWWLYLDN-WMZOPIPTSA-N 2 2 415.538 1.268 20 0 HDADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543614265 1074728716 /nfs/dbraw/zinc/72/87/16/1074728716.db2.gz CBIONFOPODJQFK-MSOLQXFVSA-N 2 2 400.527 1.560 20 0 HDADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543614265 1074728719 /nfs/dbraw/zinc/72/87/19/1074728719.db2.gz CBIONFOPODJQFK-MSOLQXFVSA-N 2 2 400.527 1.560 20 0 HDADLP C[C@H](CCNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+]1CCCCC1 ZINC000543615424 1074735364 /nfs/dbraw/zinc/73/53/64/1074735364.db2.gz CGNWTQJMOXPEBP-QGZVFWFLSA-N 2 2 402.543 1.855 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000477081845 1074789098 /nfs/dbraw/zinc/78/90/98/1074789098.db2.gz NEUWXFFPOFJKJF-CEWLAPEOSA-N 3 2 423.646 1.629 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000477081845 1074789104 /nfs/dbraw/zinc/78/91/04/1074789104.db2.gz NEUWXFFPOFJKJF-CEWLAPEOSA-N 3 2 423.646 1.629 20 0 HDADLP Cc1cc(NC(=O)CSCC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000461277285 1075130383 /nfs/dbraw/zinc/13/03/83/1075130383.db2.gz JUKCDDFWJXLYPY-UHFFFAOYSA-N 2 2 423.583 1.721 20 0 HDADLP Cc1cc(N2CCN(C(=O)CN3CCN(c4cc[nH+]cc4)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000675500064 1075180478 /nfs/dbraw/zinc/18/04/78/1075180478.db2.gz WLQPPBVBSHAIHE-UHFFFAOYSA-N 2 2 423.565 1.774 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)CC1 ZINC000675557526 1075202315 /nfs/dbraw/zinc/20/23/15/1075202315.db2.gz OWHAVKYYHBEQPO-LJQANCHMSA-N 2 2 405.587 1.635 20 0 HDADLP CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000676090338 1075375310 /nfs/dbraw/zinc/37/53/10/1075375310.db2.gz QCIHFZWYAXMOIQ-LJQANCHMSA-N 2 2 414.510 1.459 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731685819 1075448023 /nfs/dbraw/zinc/44/80/23/1075448023.db2.gz CFECKMLLNATNFR-LJQANCHMSA-N 2 2 408.568 1.069 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000731685819 1075448025 /nfs/dbraw/zinc/44/80/25/1075448025.db2.gz CFECKMLLNATNFR-LJQANCHMSA-N 2 2 408.568 1.069 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000731680527 1075461785 /nfs/dbraw/zinc/46/17/85/1075461785.db2.gz PNNVHRZPLHWXEJ-UHFFFAOYSA-N 2 2 422.595 1.591 20 0 HDADLP CC[NH+](CC)Cc1ccc(CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1 ZINC000731680580 1075463209 /nfs/dbraw/zinc/46/32/09/1075463209.db2.gz OQFWMVBUJXDKHQ-UHFFFAOYSA-N 2 2 424.611 1.837 20 0 HDADLP c1ccc(N2CC[NH+](C[C@H]3CCCN(c4nc(N5CCOCC5)cc[nH+]4)C3)CC2)nc1 ZINC000676309129 1075493494 /nfs/dbraw/zinc/49/34/94/1075493494.db2.gz DHKBCZUGXKXKQG-HXUWFJFHSA-N 2 2 423.565 1.747 20 0 HDADLP C[NH+](C)CCOc1cccc(NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)c1 ZINC000731753506 1075509462 /nfs/dbraw/zinc/50/94/62/1075509462.db2.gz LVZAYIJZZYXWCG-UHFFFAOYSA-N 2 2 412.556 1.258 20 0 HDADLP O=C1C[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CN1CC[NH+]1CCOCC1 ZINC000676418737 1075549003 /nfs/dbraw/zinc/54/90/03/1075549003.db2.gz ODNQUAPSHHZLKD-FPOVZHCZSA-N 2 2 403.523 1.267 20 0 HDADLP O=C1C[C@@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CN1CC[NH+]1CCOCC1 ZINC000676418741 1075549396 /nfs/dbraw/zinc/54/93/96/1075549396.db2.gz ODNQUAPSHHZLKD-TZIWHRDSSA-N 2 2 403.523 1.267 20 0 HDADLP Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000544488560 1075720392 /nfs/dbraw/zinc/72/03/92/1075720392.db2.gz WFTYYZJMJKRHIH-UHFFFAOYSA-N 2 2 424.597 1.777 20 0 HDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509443088 1075738413 /nfs/dbraw/zinc/73/84/13/1075738413.db2.gz XDRUJBLWINONRZ-AABGKKOBSA-N 2 2 415.582 1.254 20 0 HDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509443088 1075738416 /nfs/dbraw/zinc/73/84/16/1075738416.db2.gz XDRUJBLWINONRZ-AABGKKOBSA-N 2 2 415.582 1.254 20 0 HDADLP CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559235 1075785281 /nfs/dbraw/zinc/78/52/81/1075785281.db2.gz JHSANORPCVZHGD-SJORKVTESA-N 2 2 412.600 1.923 20 0 HDADLP CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559235 1075785283 /nfs/dbraw/zinc/78/52/83/1075785283.db2.gz JHSANORPCVZHGD-SJORKVTESA-N 2 2 412.600 1.923 20 0 HDADLP CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559283 1075785477 /nfs/dbraw/zinc/78/54/77/1075785477.db2.gz KLZYNRJRQAQHHK-UZLBHIALSA-N 2 2 402.514 1.806 20 0 HDADLP CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559283 1075785480 /nfs/dbraw/zinc/78/54/80/1075785480.db2.gz KLZYNRJRQAQHHK-UZLBHIALSA-N 2 2 402.514 1.806 20 0 HDADLP CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732560428 1075786898 /nfs/dbraw/zinc/78/68/98/1075786898.db2.gz ZFSZQABRGMZJPS-SFHVURJKSA-N 2 2 424.567 1.109 20 0 HDADLP CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732560428 1075786902 /nfs/dbraw/zinc/78/69/02/1075786902.db2.gz ZFSZQABRGMZJPS-SFHVURJKSA-N 2 2 424.567 1.109 20 0 HDADLP CC(C)C(=O)Nc1nc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000050797852 1075802778 /nfs/dbraw/zinc/80/27/78/1075802778.db2.gz QYWQVEHPMWLAPA-UHFFFAOYSA-N 2 2 407.584 1.955 20 0 HDADLP CSC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429285385 1075815443 /nfs/dbraw/zinc/81/54/43/1075815443.db2.gz OBRRRSBPPTTXBJ-OAHLLOKOSA-N 2 2 403.556 1.087 20 0 HDADLP CSC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000429285385 1075815446 /nfs/dbraw/zinc/81/54/46/1075815446.db2.gz OBRRRSBPPTTXBJ-OAHLLOKOSA-N 2 2 403.556 1.087 20 0 HDADLP COC(=O)C(C)(C)[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000611406762 1075926758 /nfs/dbraw/zinc/92/67/58/1075926758.db2.gz WLXMLLMFGVAHTM-IBGZPJMESA-N 2 2 405.539 1.744 20 0 HDADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000733643916 1076137952 /nfs/dbraw/zinc/13/79/52/1076137952.db2.gz ASQWNQAZMPSRPT-UHFFFAOYSA-N 2 2 409.575 1.809 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCCn4nnc(COc5cccnc5)c4C3)[nH+]2)CC1 ZINC001164652695 719327830 /nfs/dbraw/zinc/32/78/30/719327830.db2.gz DPHUYDHTNPGARJ-UHFFFAOYSA-N 2 2 420.521 1.809 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164701325 719878280 /nfs/dbraw/zinc/87/82/80/719878280.db2.gz NCMSERXVBPUOER-UGKGYDQZSA-N 2 2 402.539 1.910 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCOC[C@]4(CC[C@@H](Cn5cccn5)O4)C3)[nH+]2)CC1 ZINC001164803252 720049667 /nfs/dbraw/zinc/04/96/67/720049667.db2.gz JRDSBGDKTFLPLW-UGKGYDQZSA-N 2 2 412.538 1.485 20 0 HDADLP Cn1nnc2c1CCN(c1nc(N3CCCC3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716486 720163130 /nfs/dbraw/zinc/16/31/30/720163130.db2.gz ZSZSDAKMPLTFLG-GOSISDBHSA-N 2 2 412.542 1.422 20 0 HDADLP Cc1[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164718769 720184126 /nfs/dbraw/zinc/18/41/26/720184126.db2.gz QVAGFKDTWOWPOC-QGZVFWFLSA-N 2 2 410.526 1.919 20 0 HDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164723384 720306426 /nfs/dbraw/zinc/30/64/26/720306426.db2.gz OKOPQXLFHRCCKI-JOCHJYFZSA-N 2 2 401.555 1.342 20 0 HDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164723384 720306433 /nfs/dbraw/zinc/30/64/33/720306433.db2.gz OKOPQXLFHRCCKI-JOCHJYFZSA-N 2 2 401.555 1.342 20 0 HDADLP Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)n1 ZINC001164774533 721054038 /nfs/dbraw/zinc/05/40/38/721054038.db2.gz VUCGAHNYQBQRRC-UXHICEINSA-N 2 2 406.534 1.917 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164882734 721350600 /nfs/dbraw/zinc/35/06/00/721350600.db2.gz HNWLDJXHXFMXDD-SFTDATJTSA-N 2 2 421.545 1.811 20 0 HDADLP CCc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164783453 721418505 /nfs/dbraw/zinc/41/85/05/721418505.db2.gz IQEAXEJFNSRRDK-IYBDPMFKSA-N 2 2 400.552 1.900 20 0 HDADLP CCc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164783453 721418507 /nfs/dbraw/zinc/41/85/07/721418507.db2.gz IQEAXEJFNSRRDK-IYBDPMFKSA-N 2 2 400.552 1.900 20 0 HDADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896638 721426306 /nfs/dbraw/zinc/42/63/06/721426306.db2.gz RQCGJOXIBUFNDK-OFNKIYASSA-N 2 2 415.582 1.684 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC4(C[C@H](C(=O)NC5CCC5)CO4)CC3)[nH+]2)CC1 ZINC001164899019 721489989 /nfs/dbraw/zinc/48/99/89/721489989.db2.gz IZLAFPKQLUHYFL-SFHVURJKSA-N 2 2 413.566 1.878 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](C(=O)NC5CCC5)CO4)CC3)[nH+]2)CC1 ZINC001164899018 721490186 /nfs/dbraw/zinc/49/01/86/721490186.db2.gz IZLAFPKQLUHYFL-GOSISDBHSA-N 2 2 413.566 1.878 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCCN(c5cnccn5)C4)C3)[nH+]2)CC1 ZINC001164902843 721580166 /nfs/dbraw/zinc/58/01/66/721580166.db2.gz JJEVPZOTJJCCNY-JOCHJYFZSA-N 2 2 409.538 1.499 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802621 721584937 /nfs/dbraw/zinc/58/49/37/721584937.db2.gz HHHACGHNZBVYCQ-ONTIZHBOSA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164802621 721584941 /nfs/dbraw/zinc/58/49/41/721584941.db2.gz HHHACGHNZBVYCQ-ONTIZHBOSA-N 2 2 423.565 1.492 20 0 HDADLP CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164921223 721836315 /nfs/dbraw/zinc/83/63/15/721836315.db2.gz CNHDFOYONLZCNV-WMZHIEFXSA-N 2 2 423.565 1.888 20 0 HDADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001164933278 721877577 /nfs/dbraw/zinc/87/75/77/721877577.db2.gz LJRULBRWNUTBAY-MSOLQXFVSA-N 2 2 400.575 1.287 20 0 HDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164947692 721976886 /nfs/dbraw/zinc/97/68/86/721976886.db2.gz QOWAYIAAUMJKSL-UHFFFAOYSA-N 2 2 420.561 1.915 20 0 HDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1nccc(C3CC[NH2+]CC3)n1)CC2 ZINC001164947692 721976890 /nfs/dbraw/zinc/97/68/90/721976890.db2.gz QOWAYIAAUMJKSL-UHFFFAOYSA-N 2 2 420.561 1.915 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@H]4C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164956261 722033994 /nfs/dbraw/zinc/03/39/94/722033994.db2.gz CYLDXTAHBXBBKW-WMZHIEFXSA-N 2 2 406.534 1.761 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@]4(C[C@@H]4C(=O)NCc4cccnc4)C3)[nH+]2)CC1 ZINC001164956259 722034000 /nfs/dbraw/zinc/03/40/00/722034000.db2.gz CYLDXTAHBXBBKW-AUSIDOKSSA-N 2 2 406.534 1.761 20 0 HDADLP CC(=O)N1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164972028 722080626 /nfs/dbraw/zinc/08/06/26/722080626.db2.gz XSNGNWJKHLFFKM-PCCBWWKXSA-N 2 2 423.565 1.546 20 0 HDADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCSCC3)[nH+]cn1)CCC2 ZINC001165003825 722257323 /nfs/dbraw/zinc/25/73/23/722257323.db2.gz IQMHQJMFJSCUFE-UHFFFAOYSA-N 2 2 417.583 1.715 20 0 HDADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(N3CCSCC3)nc[nH+]1)CCC2 ZINC001165003825 722257327 /nfs/dbraw/zinc/25/73/27/722257327.db2.gz IQMHQJMFJSCUFE-UHFFFAOYSA-N 2 2 417.583 1.715 20 0 HDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429056405 1073484626 /nfs/dbraw/zinc/48/46/26/1073484626.db2.gz XBAHAERPJUOWDK-NRFANRHFSA-N 2 2 419.639 1.883 20 0 HDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429056405 1073484633 /nfs/dbraw/zinc/48/46/33/1073484633.db2.gz XBAHAERPJUOWDK-NRFANRHFSA-N 2 2 419.639 1.883 20 0 HDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429056405 1073484638 /nfs/dbraw/zinc/48/46/38/1073484638.db2.gz XBAHAERPJUOWDK-NRFANRHFSA-N 2 2 419.639 1.883 20 0 HDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429056405 1073484640 /nfs/dbraw/zinc/48/46/40/1073484640.db2.gz XBAHAERPJUOWDK-NRFANRHFSA-N 2 2 419.639 1.883 20 0 HDADLP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670487 1073623897 /nfs/dbraw/zinc/62/38/97/1073623897.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670487 1073623900 /nfs/dbraw/zinc/62/39/00/1073623900.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670487 1073623903 /nfs/dbraw/zinc/62/39/03/1073623903.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670487 1073623906 /nfs/dbraw/zinc/62/39/06/1073623906.db2.gz XBIXMQNQOAOXEH-GGAORHGYSA-N 3 2 400.567 1.250 20 0 HDADLP C[NH+](C)[C@H](CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001626093540 1074074809 /nfs/dbraw/zinc/07/48/09/1074074809.db2.gz NGSMBFQJESVNMY-HXUWFJFHSA-N 2 2 409.534 1.930 20 0 HDADLP Cc1cc(N2CCC(NC(=O)N3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)nc(C)[nH+]1 ZINC000674188052 1074203265 /nfs/dbraw/zinc/20/32/65/1074203265.db2.gz NMMUKYIRFCRAGD-OALUTQOASA-N 2 2 402.543 1.303 20 0 HDADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674329333 1074278609 /nfs/dbraw/zinc/27/86/09/1074278609.db2.gz UZUDXLAGWVEZOR-UHFFFAOYSA-N 2 2 417.598 1.734 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000674330747 1074286281 /nfs/dbraw/zinc/28/62/81/1074286281.db2.gz NRKVOJSKQQBDIP-LJQANCHMSA-N 2 2 423.602 1.119 20 0 HDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674494801 1074405145 /nfs/dbraw/zinc/40/51/45/1074405145.db2.gz CFGVYAOYFVPGKB-SFHVURJKSA-N 2 2 422.595 1.123 20 0 HDADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674494801 1074405153 /nfs/dbraw/zinc/40/51/53/1074405153.db2.gz CFGVYAOYFVPGKB-SFHVURJKSA-N 2 2 422.595 1.123 20 0 HDADLP COCCOc1cc(C)ccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674778548 1074553820 /nfs/dbraw/zinc/55/38/20/1074553820.db2.gz LCZVJSPOKOKDGP-LJQANCHMSA-N 2 2 404.555 1.988 20 0 HDADLP COCCOc1cc(C)ccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674778548 1074553827 /nfs/dbraw/zinc/55/38/27/1074553827.db2.gz LCZVJSPOKOKDGP-LJQANCHMSA-N 2 2 404.555 1.988 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926502 1074624147 /nfs/dbraw/zinc/62/41/47/1074624147.db2.gz BSVIFQVWWLYLDN-AEFFLSMTSA-N 2 2 415.538 1.268 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926502 1074624153 /nfs/dbraw/zinc/62/41/53/1074624153.db2.gz BSVIFQVWWLYLDN-AEFFLSMTSA-N 2 2 415.538 1.268 20 0 HDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000477103857 1074802151 /nfs/dbraw/zinc/80/21/51/1074802151.db2.gz XYFOGFPBUAVLIO-QGZVFWFLSA-N 2 2 404.559 1.404 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448361195 1075187777 /nfs/dbraw/zinc/18/77/77/1075187777.db2.gz FZXOJKCGLSQMIL-IEBWSBKVSA-N 2 2 402.543 1.696 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448361195 1075187779 /nfs/dbraw/zinc/18/77/79/1075187779.db2.gz FZXOJKCGLSQMIL-IEBWSBKVSA-N 2 2 402.543 1.696 20 0 HDADLP CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675606119 1075222683 /nfs/dbraw/zinc/22/26/83/1075222683.db2.gz WAROMJAQEXPYTA-MRXNPFEDSA-N 2 2 424.492 1.645 20 0 HDADLP CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675606119 1075222689 /nfs/dbraw/zinc/22/26/89/1075222689.db2.gz WAROMJAQEXPYTA-MRXNPFEDSA-N 2 2 424.492 1.645 20 0 HDADLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000675887155 1075289719 /nfs/dbraw/zinc/28/97/19/1075289719.db2.gz YHOBGNHDFZNHND-FPOVZHCZSA-N 2 2 418.582 1.601 20 0 HDADLP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+](C)C ZINC000579872515 1075366525 /nfs/dbraw/zinc/36/65/25/1075366525.db2.gz BMGRYQILOTTWEM-WIYYLYMNSA-N 2 2 414.554 2.337 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147479 1075398572 /nfs/dbraw/zinc/39/85/72/1075398572.db2.gz HLZYGIDFROQEPA-AOMKIAJQSA-N 2 2 419.570 1.162 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147479 1075398575 /nfs/dbraw/zinc/39/85/75/1075398575.db2.gz HLZYGIDFROQEPA-AOMKIAJQSA-N 2 2 419.570 1.162 20 0 HDADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C(C)C ZINC000429404869 1075429001 /nfs/dbraw/zinc/42/90/01/1075429001.db2.gz VKAFFOLHEXADLE-UNMCSNQZSA-N 2 2 417.550 1.655 20 0 HDADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]1C(C)C ZINC000429404869 1075429008 /nfs/dbraw/zinc/42/90/08/1075429008.db2.gz VKAFFOLHEXADLE-UNMCSNQZSA-N 2 2 417.550 1.655 20 0 HDADLP NC(=O)c1csc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000676200072 1075434019 /nfs/dbraw/zinc/43/40/19/1075434019.db2.gz YYBWTOCQTJOVPX-HNNXBMFYSA-N 2 2 402.524 1.232 20 0 HDADLP NC(=O)c1csc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000676200073 1075434083 /nfs/dbraw/zinc/43/40/83/1075434083.db2.gz YYBWTOCQTJOVPX-OAHLLOKOSA-N 2 2 402.524 1.232 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676243096 1075444137 /nfs/dbraw/zinc/44/41/37/1075444137.db2.gz IKHMWYKDJSYDNX-GHTZIAJQSA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676243096 1075444140 /nfs/dbraw/zinc/44/41/40/1075444140.db2.gz IKHMWYKDJSYDNX-GHTZIAJQSA-N 2 2 403.571 1.342 20 0 HDADLP C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000731680740 1075464251 /nfs/dbraw/zinc/46/42/51/1075464251.db2.gz UUTGZJVPNWXDMY-KRWDZBQOSA-N 2 2 422.595 1.241 20 0 HDADLP C[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000731680740 1075464255 /nfs/dbraw/zinc/46/42/55/1075464255.db2.gz UUTGZJVPNWXDMY-KRWDZBQOSA-N 2 2 422.595 1.241 20 0 HDADLP O=C1C[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CN1CC[NH+]1CCOCC1 ZINC000676418736 1075549085 /nfs/dbraw/zinc/54/90/85/1075549085.db2.gz ODNQUAPSHHZLKD-CTNGQTDRSA-N 2 2 403.523 1.267 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1 ZINC000676568097 1075598333 /nfs/dbraw/zinc/59/83/33/1075598333.db2.gz BDRNTQHOMVSDRD-AWEZNQCLSA-N 2 2 415.460 1.947 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1 ZINC000676568097 1075598340 /nfs/dbraw/zinc/59/83/40/1075598340.db2.gz BDRNTQHOMVSDRD-AWEZNQCLSA-N 2 2 415.460 1.947 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000732252937 1075680548 /nfs/dbraw/zinc/68/05/48/1075680548.db2.gz KRRQBINTOCXFQV-QGZVFWFLSA-N 2 2 409.575 1.854 20 0 HDADLP CCCCNc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000577762166 1075692633 /nfs/dbraw/zinc/69/26/33/1075692633.db2.gz FKAUHYZGIKGXNL-UHFFFAOYSA-N 2 2 403.575 2.089 20 0 HDADLP CCCCNc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[nH+]c(N)n1 ZINC000577762166 1075692637 /nfs/dbraw/zinc/69/26/37/1075692637.db2.gz FKAUHYZGIKGXNL-UHFFFAOYSA-N 2 2 403.575 2.089 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732559269 1075785606 /nfs/dbraw/zinc/78/56/06/1075785606.db2.gz KAQDJVXJSORMJI-SFHVURJKSA-N 2 2 420.554 1.675 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732559269 1075785610 /nfs/dbraw/zinc/78/56/10/1075785610.db2.gz KAQDJVXJSORMJI-SFHVURJKSA-N 2 2 420.554 1.675 20 0 HDADLP Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558578 1075786071 /nfs/dbraw/zinc/78/60/71/1075786071.db2.gz BSUKLYAVZOQAFN-GDUPUGJQSA-N 2 2 409.538 1.607 20 0 HDADLP Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558578 1075786075 /nfs/dbraw/zinc/78/60/75/1075786075.db2.gz BSUKLYAVZOQAFN-GDUPUGJQSA-N 2 2 409.538 1.607 20 0 HDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000467676049 1075787969 /nfs/dbraw/zinc/78/79/69/1075787969.db2.gz MNCSDEJGWZEDDM-RTWAWAEBSA-N 2 2 413.566 1.458 20 0 HDADLP CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000467676049 1075787973 /nfs/dbraw/zinc/78/79/73/1075787973.db2.gz MNCSDEJGWZEDDM-RTWAWAEBSA-N 2 2 413.566 1.458 20 0 HDADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000509280042 1075815397 /nfs/dbraw/zinc/81/53/97/1075815397.db2.gz USSQPTWETFLLLX-UHFFFAOYSA-N 2 2 412.538 1.627 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](N4CCCCC4=O)C3)CC2)CC1 ZINC000732824034 1075880073 /nfs/dbraw/zinc/88/00/73/1075880073.db2.gz GCUBJGRSBHOERR-HXUWFJFHSA-N 2 2 405.587 1.732 20 0 HDADLP COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000611293665 1075894805 /nfs/dbraw/zinc/89/48/05/1075894805.db2.gz ZFNAHSHPOTZSPE-LJQANCHMSA-N 2 2 400.523 1.709 20 0 HDADLP COC(=O)c1ccc2c(c1)CN(C(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)CC2 ZINC000611293665 1075894813 /nfs/dbraw/zinc/89/48/13/1075894813.db2.gz ZFNAHSHPOTZSPE-LJQANCHMSA-N 2 2 400.523 1.709 20 0 HDADLP C[NH+](C)CC(C)(C)CNC(=S)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000727084651 1076040794 /nfs/dbraw/zinc/04/07/94/1076040794.db2.gz IZVUBBWCZGUKCT-UHFFFAOYSA-N 2 2 408.612 1.950 20 0 HDADLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCC(=O)NCC(F)(F)F ZINC000731029046 1076708821 /nfs/dbraw/zinc/70/88/21/1076708821.db2.gz NRVAZXANJNVWDZ-UHFFFAOYSA-N 2 2 401.433 1.371 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C2CC[NH2+]CC2)n1 ZINC001164703212 719862546 /nfs/dbraw/zinc/86/25/46/719862546.db2.gz PLJPNMXATDWVSU-UTKZUKDTSA-N 2 2 403.527 1.176 20 0 HDADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164836805 720568205 /nfs/dbraw/zinc/56/82/05/720568205.db2.gz KYFGBRRLUWGDHY-UFYCRDLUSA-N 2 2 411.554 1.888 20 0 HDADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164836805 720568220 /nfs/dbraw/zinc/56/82/20/720568220.db2.gz KYFGBRRLUWGDHY-UFYCRDLUSA-N 2 2 411.554 1.888 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](CCOC)CCO[C@H]4C3)c12 ZINC001164851363 720843259 /nfs/dbraw/zinc/84/32/59/720843259.db2.gz GUOQMAJBVWJJFJ-HOCLYGCPSA-N 2 2 403.483 1.308 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c12 ZINC001164851363 720843260 /nfs/dbraw/zinc/84/32/60/720843260.db2.gz GUOQMAJBVWJJFJ-HOCLYGCPSA-N 2 2 403.483 1.308 20 0 HDADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc(N2CCCC2)[nH+]1 ZINC001164878135 721263304 /nfs/dbraw/zinc/26/33/04/721263304.db2.gz SMWNRCCPELLHRK-UHFFFAOYSA-N 2 2 416.570 1.392 20 0 HDADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc(N2CCCC2)[nH+]1 ZINC001164878135 721263307 /nfs/dbraw/zinc/26/33/07/721263307.db2.gz SMWNRCCPELLHRK-UHFFFAOYSA-N 2 2 416.570 1.392 20 0 HDADLP Cc1nc(N2CCCC2)cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164878135 721263310 /nfs/dbraw/zinc/26/33/10/721263310.db2.gz SMWNRCCPELLHRK-UHFFFAOYSA-N 2 2 416.570 1.392 20 0 HDADLP Cc1nc(N2CCCC2)cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164878135 721263315 /nfs/dbraw/zinc/26/33/15/721263315.db2.gz SMWNRCCPELLHRK-UHFFFAOYSA-N 2 2 416.570 1.392 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CCCCN4S(C)(=O)=O)C3)[nH+]2)CC1 ZINC001164890578 721376045 /nfs/dbraw/zinc/37/60/45/721376045.db2.gz OLHZLWPVXBCWAZ-FQEVSTJZSA-N 2 2 407.584 1.618 20 0 HDADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798345 721517089 /nfs/dbraw/zinc/51/70/89/721517089.db2.gz SECFOLCCIBOFIG-PLNGDYQASA-N 2 2 410.522 1.540 20 0 HDADLP CN(c1ncccn1)[C@@H]1CO[C@]2(C1)CCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164921220 721836227 /nfs/dbraw/zinc/83/62/27/721836227.db2.gz CNHDFOYONLZCNV-CVDCTZTESA-N 2 2 423.565 1.888 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@@H]4C3)[nH+]2)CC1 ZINC001164936099 721896571 /nfs/dbraw/zinc/89/65/71/721896571.db2.gz XWBMKMSYFMXVMR-DFQSSKMNSA-N 2 2 413.566 1.734 20 0 HDADLP CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164954392 722009684 /nfs/dbraw/zinc/00/96/84/722009684.db2.gz LVNCMRZLVQNTJJ-LAUBAEHRSA-N 2 2 402.543 1.233 20 0 HDADLP CC(C)C(=O)NCc1nnc2n1CCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164988819 722190162 /nfs/dbraw/zinc/19/01/62/722190162.db2.gz IXWQMGMPFUBRCS-UHFFFAOYSA-N 2 2 412.542 1.107 20 0 HDADLP Cn1cccc1C(=O)N1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]2C1 ZINC001165003071 722243845 /nfs/dbraw/zinc/24/38/45/722243845.db2.gz HNPTWCCXOXYJCH-ICSRJNTNSA-N 2 2 424.549 1.149 20 0 HDADLP CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669204 1073622477 /nfs/dbraw/zinc/62/24/77/1073622477.db2.gz FKUJFDZVZSSGKR-NRFANRHFSA-N 2 2 400.567 1.888 20 0 HDADLP CN(C(=O)c1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669204 1073622480 /nfs/dbraw/zinc/62/24/80/1073622480.db2.gz FKUJFDZVZSSGKR-NRFANRHFSA-N 2 2 400.567 1.888 20 0 HDADLP CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668945 1073623222 /nfs/dbraw/zinc/62/32/22/1073623222.db2.gz CVKUEKAJXBTYLR-RXVVDRJESA-N 2 2 419.614 1.978 20 0 HDADLP CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668945 1073623223 /nfs/dbraw/zinc/62/32/23/1073623223.db2.gz CVKUEKAJXBTYLR-RXVVDRJESA-N 2 2 419.614 1.978 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670093 1073624682 /nfs/dbraw/zinc/62/46/82/1073624682.db2.gz ZFPFRFBDFFBYCO-MJGOQNOKSA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670093 1073624687 /nfs/dbraw/zinc/62/46/87/1073624687.db2.gz ZFPFRFBDFFBYCO-MJGOQNOKSA-N 2 2 405.587 1.635 20 0 HDADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000673672476 1073626669 /nfs/dbraw/zinc/62/66/69/1073626669.db2.gz ICOQYMUFYQWJDW-YADHBBJMSA-N 2 2 400.567 1.564 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NCCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)[nH+]c12 ZINC000673772934 1073706374 /nfs/dbraw/zinc/70/63/74/1073706374.db2.gz LIYWDQNGLULINN-GOSISDBHSA-N 2 2 400.527 1.427 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)[nH+]c12 ZINC000673772934 1073706381 /nfs/dbraw/zinc/70/63/81/1073706381.db2.gz LIYWDQNGLULINN-GOSISDBHSA-N 2 2 400.527 1.427 20 0 HDADLP O=S(=O)(CCC[NH+]1CCOCC1)Oc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000766039253 1073843033 /nfs/dbraw/zinc/84/30/33/1073843033.db2.gz RFJSGYKEIZFNTQ-UHFFFAOYSA-N 2 2 412.552 1.982 20 0 HDADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN3CC[NH+](C(C)(C)CO)CC3)CC2)cc1 ZINC000673895623 1073865652 /nfs/dbraw/zinc/86/56/52/1073865652.db2.gz KDXUQVXOZXXSQB-UHFFFAOYSA-N 2 2 416.610 1.843 20 0 HDADLP CCc1cc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000673980608 1073972805 /nfs/dbraw/zinc/97/28/05/1073972805.db2.gz SNGKQFIFFBFMGX-IBGZPJMESA-N 2 2 415.586 1.476 20 0 HDADLP CCc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000673980608 1073972810 /nfs/dbraw/zinc/97/28/10/1073972810.db2.gz SNGKQFIFFBFMGX-IBGZPJMESA-N 2 2 415.586 1.476 20 0 HDADLP COC(=O)c1cccc(CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000509209711 1074123128 /nfs/dbraw/zinc/12/31/28/1074123128.db2.gz HWAKBPRFSBPEOL-UHFFFAOYSA-N 2 2 402.539 1.874 20 0 HDADLP CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158201 1074195663 /nfs/dbraw/zinc/19/56/63/1074195663.db2.gz KPSAUEGRXAYPJT-SJLPKXTDSA-N 2 2 403.575 1.923 20 0 HDADLP CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158201 1074195665 /nfs/dbraw/zinc/19/56/65/1074195665.db2.gz KPSAUEGRXAYPJT-SJLPKXTDSA-N 2 2 403.575 1.923 20 0 HDADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000674320180 1074280389 /nfs/dbraw/zinc/28/03/89/1074280389.db2.gz DXUPOQHYKCKXOA-KRWDZBQOSA-N 2 2 418.538 1.245 20 0 HDADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000674371989 1074299874 /nfs/dbraw/zinc/29/98/74/1074299874.db2.gz WECQRCSPQACBBM-UHFFFAOYSA-N 2 2 417.535 1.122 20 0 HDADLP CN(c1ncc(I)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000766076430 1074583604 /nfs/dbraw/zinc/58/36/04/1074583604.db2.gz HKLGBINTHTYSDD-CQSZACIVSA-N 2 2 401.296 1.686 20 0 HDADLP CN(c1ncc(I)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000766076430 1074583610 /nfs/dbraw/zinc/58/36/10/1074583610.db2.gz HKLGBINTHTYSDD-CQSZACIVSA-N 2 2 401.296 1.686 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1 ZINC000674872440 1074593107 /nfs/dbraw/zinc/59/31/07/1074593107.db2.gz OWFWBALDOQRQLG-QGZVFWFLSA-N 2 2 411.554 1.970 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC(C)(C)c3cn(-c4ccccc4)nn3)C2)CC1 ZINC000674872440 1074593116 /nfs/dbraw/zinc/59/31/16/1074593116.db2.gz OWFWBALDOQRQLG-QGZVFWFLSA-N 2 2 411.554 1.970 20 0 HDADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000543614112 1074715155 /nfs/dbraw/zinc/71/51/55/1074715155.db2.gz JQPSUYHCNDWSCK-UHFFFAOYSA-N 2 2 410.522 1.853 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000477032734 1074733544 /nfs/dbraw/zinc/73/35/44/1074733544.db2.gz KHVRIMILVPGIHJ-ROUUACIJSA-N 2 2 404.555 1.747 20 0 HDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000477032733 1074733578 /nfs/dbraw/zinc/73/35/78/1074733578.db2.gz KHVRIMILVPGIHJ-QZTJIDSGSA-N 2 2 404.555 1.747 20 0 HDADLP Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675562561 1075203722 /nfs/dbraw/zinc/20/37/22/1075203722.db2.gz LCCAMPBPSCNSKO-FQEVSTJZSA-N 2 2 404.530 1.420 20 0 HDADLP Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675562561 1075203726 /nfs/dbraw/zinc/20/37/26/1075203726.db2.gz LCCAMPBPSCNSKO-FQEVSTJZSA-N 2 2 404.530 1.420 20 0 HDADLP CCOc1ccccc1C(=O)NCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605084 1075221832 /nfs/dbraw/zinc/22/18/32/1075221832.db2.gz IFPIGGRSKVNOEX-GOSISDBHSA-N 2 2 402.539 1.442 20 0 HDADLP CCOc1ccccc1C(=O)NCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605084 1075221836 /nfs/dbraw/zinc/22/18/36/1075221836.db2.gz IFPIGGRSKVNOEX-GOSISDBHSA-N 2 2 402.539 1.442 20 0 HDADLP COc1cc([C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000675885511 1075289116 /nfs/dbraw/zinc/28/91/16/1075289116.db2.gz CVVFVDQTELGTAI-SJLPKXTDSA-N 2 2 411.568 1.156 20 0 HDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675885444 1075289176 /nfs/dbraw/zinc/28/91/76/1075289176.db2.gz ALYYLSZTSIFZCC-QUCCMNQESA-N 2 2 422.595 1.284 20 0 HDADLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000675887156 1075289762 /nfs/dbraw/zinc/28/97/62/1075289762.db2.gz YHOBGNHDFZNHND-PZJWPPBQSA-N 2 2 418.582 1.601 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731681148 1075463629 /nfs/dbraw/zinc/46/36/29/1075463629.db2.gz KZMLRBQLWNJUGB-CALCHBBNSA-N 2 2 402.605 1.163 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731681148 1075463632 /nfs/dbraw/zinc/46/36/32/1075463632.db2.gz KZMLRBQLWNJUGB-CALCHBBNSA-N 2 2 402.605 1.163 20 0 HDADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731681649 1075464609 /nfs/dbraw/zinc/46/46/09/1075464609.db2.gz ZHHRAQLPVKPHSL-UHFFFAOYSA-N 2 2 424.611 1.835 20 0 HDADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731681649 1075464612 /nfs/dbraw/zinc/46/46/12/1075464612.db2.gz ZHHRAQLPVKPHSL-UHFFFAOYSA-N 2 2 424.611 1.835 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000731761301 1075515260 /nfs/dbraw/zinc/51/52/60/1075515260.db2.gz DHBFDCZCFUFFIF-SFHVURJKSA-N 2 2 400.589 1.155 20 0 HDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000441665021 1075542162 /nfs/dbraw/zinc/54/21/62/1075542162.db2.gz DIKMQTFLOHRCRH-HNNXBMFYSA-N 2 2 415.457 2.577 20 0 HDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000441665024 1075542277 /nfs/dbraw/zinc/54/22/77/1075542277.db2.gz DIKMQTFLOHRCRH-OAHLLOKOSA-N 2 2 415.457 2.577 20 0 HDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000676478698 1075565906 /nfs/dbraw/zinc/56/59/06/1075565906.db2.gz OLFABWMCMWTBMD-FQEVSTJZSA-N 2 2 411.506 1.309 20 0 HDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000676478698 1075565911 /nfs/dbraw/zinc/56/59/11/1075565911.db2.gz OLFABWMCMWTBMD-FQEVSTJZSA-N 2 2 411.506 1.309 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000676501855 1075570527 /nfs/dbraw/zinc/57/05/27/1075570527.db2.gz WBMOZMNTYFZXNL-MAUKXSAKSA-N 2 2 402.539 1.986 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000676501855 1075570533 /nfs/dbraw/zinc/57/05/33/1075570533.db2.gz WBMOZMNTYFZXNL-MAUKXSAKSA-N 2 2 402.539 1.986 20 0 HDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438334177 1075711080 /nfs/dbraw/zinc/71/10/80/1075711080.db2.gz WXWPCCPTDAPGEF-QZTJIDSGSA-N 2 2 406.575 2.093 20 0 HDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000732463848 1075751849 /nfs/dbraw/zinc/75/18/49/1075751849.db2.gz SSGJYVJCBKOCKQ-KRWDZBQOSA-N 2 2 403.527 1.307 20 0 HDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000732463848 1075751852 /nfs/dbraw/zinc/75/18/52/1075751852.db2.gz SSGJYVJCBKOCKQ-KRWDZBQOSA-N 2 2 403.527 1.307 20 0 HDADLP C[NH+]1CCC(CNC(=O)Nc2ccn(CC(F)(F)F)n2)([NH+]2CCCCC2)CC1 ZINC000448291078 1075776987 /nfs/dbraw/zinc/77/69/87/1075776987.db2.gz VTINRVNTXDOXGK-UHFFFAOYSA-N 2 2 402.465 2.517 20 0 HDADLP CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559280 1075785555 /nfs/dbraw/zinc/78/55/55/1075785555.db2.gz KLZYNRJRQAQHHK-JXFKEZNVSA-N 2 2 402.514 1.806 20 0 HDADLP CN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559280 1075785559 /nfs/dbraw/zinc/78/55/59/1075785559.db2.gz KLZYNRJRQAQHHK-JXFKEZNVSA-N 2 2 402.514 1.806 20 0 HDADLP C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565058 1075789798 /nfs/dbraw/zinc/78/97/98/1075789798.db2.gz VCVTUJPUMWGMAQ-FXAWDEMLSA-N 2 2 402.539 1.928 20 0 HDADLP C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565058 1075789801 /nfs/dbraw/zinc/78/98/01/1075789801.db2.gz VCVTUJPUMWGMAQ-FXAWDEMLSA-N 2 2 402.539 1.928 20 0 HDADLP CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565403 1075789888 /nfs/dbraw/zinc/78/98/88/1075789888.db2.gz YPGRYKTWXQSMDK-QGZVFWFLSA-N 2 2 420.941 1.692 20 0 HDADLP CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565403 1075789891 /nfs/dbraw/zinc/78/98/91/1075789891.db2.gz YPGRYKTWXQSMDK-QGZVFWFLSA-N 2 2 420.941 1.692 20 0 HDADLP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509292556 1075856915 /nfs/dbraw/zinc/85/69/15/1075856915.db2.gz ASXUJIQAFWNXNC-OAQYLSRUSA-N 2 2 408.612 1.993 20 0 HDADLP CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509292556 1075856921 /nfs/dbraw/zinc/85/69/21/1075856921.db2.gz ASXUJIQAFWNXNC-OAQYLSRUSA-N 2 2 408.612 1.993 20 0 HDADLP CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732778774 1075864138 /nfs/dbraw/zinc/86/41/38/1075864138.db2.gz IYCSBYTWVSSPQW-RDJZCZTQSA-N 2 2 414.616 1.918 20 0 HDADLP CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732778774 1075864142 /nfs/dbraw/zinc/86/41/42/1075864142.db2.gz IYCSBYTWVSSPQW-RDJZCZTQSA-N 2 2 414.616 1.918 20 0 HDADLP Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732780676 1075865278 /nfs/dbraw/zinc/86/52/78/1075865278.db2.gz LTXWYZOETVSJFB-RXWSAZGZSA-N 2 2 413.501 1.403 20 0 HDADLP Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732780676 1075865279 /nfs/dbraw/zinc/86/52/79/1075865279.db2.gz LTXWYZOETVSJFB-RXWSAZGZSA-N 2 2 413.501 1.403 20 0 HDADLP Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782367 1075866285 /nfs/dbraw/zinc/86/62/85/1075866285.db2.gz YAQYQFNDXKILDP-IAGOWNOFSA-N 2 2 402.514 1.772 20 0 HDADLP Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782367 1075866292 /nfs/dbraw/zinc/86/62/92/1075866292.db2.gz YAQYQFNDXKILDP-IAGOWNOFSA-N 2 2 402.514 1.772 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781726 1075866884 /nfs/dbraw/zinc/86/68/84/1075866884.db2.gz SLRPEMKNGYMAAD-PMACEKPBSA-N 2 2 410.562 1.813 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781726 1075866889 /nfs/dbraw/zinc/86/68/89/1075866889.db2.gz SLRPEMKNGYMAAD-PMACEKPBSA-N 2 2 410.562 1.813 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782738 1075867661 /nfs/dbraw/zinc/86/76/61/1075867661.db2.gz ZCHVNARPDXZLHD-MSOLQXFVSA-N 2 2 418.969 1.973 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782738 1075867668 /nfs/dbraw/zinc/86/76/68/1075867668.db2.gz ZCHVNARPDXZLHD-MSOLQXFVSA-N 2 2 418.969 1.973 20 0 HDADLP CCCCCC[N@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913846 1075911221 /nfs/dbraw/zinc/91/12/21/1075911221.db2.gz CZHCVVPXKRVOSO-IBGZPJMESA-N 2 2 418.586 1.910 20 0 HDADLP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913846 1075911224 /nfs/dbraw/zinc/91/12/24/1075911224.db2.gz CZHCVVPXKRVOSO-IBGZPJMESA-N 2 2 418.586 1.910 20 0 HDADLP CCCCCC[N@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913846 1075911228 /nfs/dbraw/zinc/91/12/28/1075911228.db2.gz CZHCVVPXKRVOSO-IBGZPJMESA-N 2 2 418.586 1.910 20 0 HDADLP CCCCCC[N@@H+](C)CC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913846 1075911231 /nfs/dbraw/zinc/91/12/31/1075911231.db2.gz CZHCVVPXKRVOSO-IBGZPJMESA-N 2 2 418.586 1.910 20 0 HDADLP COCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000727032814 1076029255 /nfs/dbraw/zinc/02/92/55/1076029255.db2.gz JHQPOPBUDIAONM-UHFFFAOYSA-N 2 2 418.460 1.991 20 0 HDADLP COCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000727032814 1076029262 /nfs/dbraw/zinc/02/92/62/1076029262.db2.gz JHQPOPBUDIAONM-UHFFFAOYSA-N 2 2 418.460 1.991 20 0 HDADLP COCCN(CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000733957246 1076275062 /nfs/dbraw/zinc/27/50/62/1076275062.db2.gz BLOMNCJBRMKROC-GOSISDBHSA-N 2 2 412.575 1.497 20 0 HDADLP COCCN(CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(=O)OC(C)(C)C ZINC000733957246 1076275064 /nfs/dbraw/zinc/27/50/64/1076275064.db2.gz BLOMNCJBRMKROC-GOSISDBHSA-N 2 2 412.575 1.497 20 0 HDADLP Cc1ccccc1[C@]1(C)NC(=O)N(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000728045938 1076318773 /nfs/dbraw/zinc/31/87/73/1076318773.db2.gz SXMGMEQBKNFXTF-QFIPXVFZSA-N 2 2 400.523 1.764 20 0 HDADLP COc1ccc(/C=C\C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000729979442 1076404191 /nfs/dbraw/zinc/40/41/91/1076404191.db2.gz AIYRHWKSMFUJBP-TWGQIWQCSA-N 2 2 414.550 1.405 20 0 HDADLP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C[C@H](C)O1 ZINC000543691350 1076405864 /nfs/dbraw/zinc/40/58/64/1076405864.db2.gz BONBOXPUVHBMQO-HDICACEKSA-N 2 2 404.555 1.879 20 0 HDADLP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C[C@H](C)O1 ZINC000543691350 1076405876 /nfs/dbraw/zinc/40/58/76/1076405876.db2.gz BONBOXPUVHBMQO-HDICACEKSA-N 2 2 404.555 1.879 20 0 HDADLP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000730264902 1076505839 /nfs/dbraw/zinc/50/58/39/1076505839.db2.gz WYLJKRXGXLCYCP-KRWDZBQOSA-N 2 2 403.527 1.719 20 0 HDADLP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000730264902 1076505843 /nfs/dbraw/zinc/50/58/43/1076505843.db2.gz WYLJKRXGXLCYCP-KRWDZBQOSA-N 2 2 403.527 1.719 20 0 HDADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164618199 719013201 /nfs/dbraw/zinc/01/32/01/719013201.db2.gz QSFFFCNZFQJUIY-YYWHXJBOSA-N 2 2 407.518 1.765 20 0 HDADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164618199 719013205 /nfs/dbraw/zinc/01/32/05/719013205.db2.gz QSFFFCNZFQJUIY-YYWHXJBOSA-N 2 2 407.518 1.765 20 0 HDADLP Cn1ccc2c1cc[nH+]c2N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1 ZINC001164825744 720440402 /nfs/dbraw/zinc/44/04/02/720440402.db2.gz URRPPYHXCCXXLL-KRWDZBQOSA-N 2 2 410.522 1.759 20 0 HDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(-n3ccnc3)cc[nH+]1)C2 ZINC001164834513 720477130 /nfs/dbraw/zinc/47/71/30/720477130.db2.gz SXUUQQIAFTVSLZ-GOSISDBHSA-N 2 2 423.521 1.453 20 0 HDADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)C1 ZINC001164730010 720513491 /nfs/dbraw/zinc/51/34/91/720513491.db2.gz PRBZHQXLHKENQS-HNNXBMFYSA-N 2 2 405.506 1.757 20 0 HDADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836801 720567869 /nfs/dbraw/zinc/56/78/69/720567869.db2.gz KYFGBRRLUWGDHY-HSALFYBXSA-N 2 2 411.554 1.888 20 0 HDADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836801 720567877 /nfs/dbraw/zinc/56/78/77/720567877.db2.gz KYFGBRRLUWGDHY-HSALFYBXSA-N 2 2 411.554 1.888 20 0 HDADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)n1 ZINC001164774535 721053807 /nfs/dbraw/zinc/05/38/07/721053807.db2.gz VUCGAHNYQBQRRC-WOJBJXKFSA-N 2 2 406.534 1.917 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164802623 721585288 /nfs/dbraw/zinc/58/52/88/721585288.db2.gz HHHACGHNZBVYCQ-URVUXULASA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164802623 721585290 /nfs/dbraw/zinc/58/52/90/721585290.db2.gz HHHACGHNZBVYCQ-URVUXULASA-N 2 2 423.565 1.492 20 0 HDADLP Cc1cc(N2CCCC2)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]1 ZINC001164997664 722228687 /nfs/dbraw/zinc/22/86/87/722228687.db2.gz RNYMJACNXGRRDR-UHFFFAOYSA-N 2 2 408.554 1.532 20 0 HDADLP Cc1c[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1NCC1CC1 ZINC001164997685 722228760 /nfs/dbraw/zinc/22/87/60/722228760.db2.gz SMBPBFIPPYTLIX-UHFFFAOYSA-N 2 2 408.554 1.754 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670089 1073624818 /nfs/dbraw/zinc/62/48/18/1073624818.db2.gz ZFPFRFBDFFBYCO-HKUYNNGSSA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670089 1073624824 /nfs/dbraw/zinc/62/48/24/1073624824.db2.gz ZFPFRFBDFFBYCO-HKUYNNGSSA-N 2 2 405.587 1.635 20 0 HDADLP COc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Cn1cccn1 ZINC000766021429 1073658500 /nfs/dbraw/zinc/65/85/00/1073658500.db2.gz ABHROBOAITZNRS-KNQAVFIVSA-N 2 2 413.566 1.997 20 0 HDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766023917 1073660310 /nfs/dbraw/zinc/66/03/10/1073660310.db2.gz QTQVKLXLDZRCHI-MDNUFGMLSA-N 2 2 402.583 1.272 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NCCC[N@H+]3CCC[C@H]3C(=O)N(C)C)[nH+]c12 ZINC000673772935 1073706296 /nfs/dbraw/zinc/70/62/96/1073706296.db2.gz LIYWDQNGLULINN-SFHVURJKSA-N 2 2 400.527 1.427 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NCCC[N@@H+]3CCC[C@H]3C(=O)N(C)C)[nH+]c12 ZINC000673772935 1073706302 /nfs/dbraw/zinc/70/63/02/1073706302.db2.gz LIYWDQNGLULINN-SFHVURJKSA-N 2 2 400.527 1.427 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NCc3ccnc(N4CC[NH+](C)CC4)c3)[nH+]c12 ZINC000673768521 1073711981 /nfs/dbraw/zinc/71/19/81/1073711981.db2.gz HFBQBOCJNCHCRK-UHFFFAOYSA-N 2 2 407.522 1.831 20 0 HDADLP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443956 1073990282 /nfs/dbraw/zinc/99/02/82/1073990282.db2.gz YJCJXTPOICXKBO-FCHUYYIVSA-N 2 2 400.567 1.688 20 0 HDADLP C[NH+](C)CCc1ccc(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000466618898 1074120616 /nfs/dbraw/zinc/12/06/16/1074120616.db2.gz URNKNIAAGGGGCM-UHFFFAOYSA-N 2 2 424.549 1.895 20 0 HDADLP C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670482923 1074550443 /nfs/dbraw/zinc/55/04/43/1074550443.db2.gz RQTZIPNCMYGVEL-WIYYLYMNSA-N 2 2 400.567 1.751 20 0 HDADLP C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670482923 1074550449 /nfs/dbraw/zinc/55/04/49/1074550449.db2.gz RQTZIPNCMYGVEL-WIYYLYMNSA-N 2 2 400.567 1.751 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)ccn2)CC1 ZINC000543614432 1074726653 /nfs/dbraw/zinc/72/66/53/1074726653.db2.gz CINNMNDHDVSKPV-AYHJJNSGSA-N 2 2 400.527 1.606 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccn2)CC1 ZINC000543614432 1074726659 /nfs/dbraw/zinc/72/66/59/1074726659.db2.gz CINNMNDHDVSKPV-AYHJJNSGSA-N 2 2 400.527 1.606 20 0 HDADLP CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675226686 1074766029 /nfs/dbraw/zinc/76/60/29/1074766029.db2.gz VMCJEDTWWWXJHI-IBGZPJMESA-N 2 2 400.502 1.706 20 0 HDADLP CN(C(=O)c1cn(Cc2cccc(F)c2)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675226686 1074766038 /nfs/dbraw/zinc/76/60/38/1074766038.db2.gz VMCJEDTWWWXJHI-IBGZPJMESA-N 2 2 400.502 1.706 20 0 HDADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000670503105 1074819588 /nfs/dbraw/zinc/81/95/88/1074819588.db2.gz CJWTUBUTEHRECS-YHELAOLJSA-N 2 2 416.566 1.506 20 0 HDADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000670503105 1074819591 /nfs/dbraw/zinc/81/95/91/1074819591.db2.gz CJWTUBUTEHRECS-YHELAOLJSA-N 2 2 416.566 1.506 20 0 HDADLP C[C@@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)C1 ZINC000675500127 1075180393 /nfs/dbraw/zinc/18/03/93/1075180393.db2.gz ZPEDESLXCOYBCG-LJQANCHMSA-N 2 2 413.566 1.701 20 0 HDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429377768 1075267089 /nfs/dbraw/zinc/26/70/89/1075267089.db2.gz NZAFZNYIVRKBFV-UHFFFAOYSA-N 2 2 408.546 1.988 20 0 HDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000429377768 1075267094 /nfs/dbraw/zinc/26/70/94/1075267094.db2.gz NZAFZNYIVRKBFV-UHFFFAOYSA-N 2 2 408.546 1.988 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989027 1075315613 /nfs/dbraw/zinc/31/56/13/1075315613.db2.gz FTDDVZBJPWIESG-RBUKOAKNSA-N 2 2 422.957 1.382 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989028 1075315646 /nfs/dbraw/zinc/31/56/46/1075315646.db2.gz FTDDVZBJPWIESG-RTBURBONSA-N 2 2 422.957 1.382 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000675989022 1075315670 /nfs/dbraw/zinc/31/56/70/1075315670.db2.gz FTDDVZBJPWIESG-MOPGFXCFSA-N 2 2 422.957 1.382 20 0 HDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096037 1075358358 /nfs/dbraw/zinc/35/83/58/1075358358.db2.gz PGSQVIZZPHJKTF-KRWDZBQOSA-N 2 2 404.474 1.939 20 0 HDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676096037 1075358362 /nfs/dbraw/zinc/35/83/62/1075358362.db2.gz PGSQVIZZPHJKTF-KRWDZBQOSA-N 2 2 404.474 1.939 20 0 HDADLP C[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@@H+]1CCc2sccc2C1 ZINC000676088479 1075371515 /nfs/dbraw/zinc/37/15/15/1075371515.db2.gz ABZZABKFLCADQZ-CQSZACIVSA-N 2 2 410.503 1.830 20 0 HDADLP C[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@H+]1CCc2sccc2C1 ZINC000676088479 1075371521 /nfs/dbraw/zinc/37/15/21/1075371521.db2.gz ABZZABKFLCADQZ-CQSZACIVSA-N 2 2 410.503 1.830 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000731650750 1075434947 /nfs/dbraw/zinc/43/49/47/1075434947.db2.gz IJQPURUCMOSMDL-UHFFFAOYSA-N 2 2 407.580 1.524 20 0 HDADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731681150 1075463715 /nfs/dbraw/zinc/46/37/15/1075463715.db2.gz KZMLRBQLWNJUGB-IRXDYDNUSA-N 2 2 402.605 1.163 20 0 HDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250053 1075466498 /nfs/dbraw/zinc/46/64/98/1075466498.db2.gz VIASQGNVGVZRTI-OXFYSEKESA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250053 1075466507 /nfs/dbraw/zinc/46/65/07/1075466507.db2.gz VIASQGNVGVZRTI-OXFYSEKESA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250053 1075466513 /nfs/dbraw/zinc/46/65/13/1075466513.db2.gz VIASQGNVGVZRTI-OXFYSEKESA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250053 1075466522 /nfs/dbraw/zinc/46/65/22/1075466522.db2.gz VIASQGNVGVZRTI-OXFYSEKESA-N 2 2 406.527 1.296 20 0 HDADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731684065 1075467857 /nfs/dbraw/zinc/46/78/57/1075467857.db2.gz PKVOFTXNHWCKSF-IRXDYDNUSA-N 2 2 416.632 1.551 20 0 HDADLP CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCC(CCC[NH+]3CCOCC3)CC1)n2C ZINC000509397668 1075477298 /nfs/dbraw/zinc/47/72/98/1075477298.db2.gz VBCSAFLFULEIQJ-UHFFFAOYSA-N 2 2 414.554 1.999 20 0 HDADLP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCCC1 ZINC000731755928 1075512216 /nfs/dbraw/zinc/51/22/16/1075512216.db2.gz BZGZKXUFWDKXCS-IBGZPJMESA-N 2 2 416.632 1.695 20 0 HDADLP Cc1c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676341826 1075515182 /nfs/dbraw/zinc/51/51/82/1075515182.db2.gz VZEMAAOGJLVPRK-GOSISDBHSA-N 2 2 410.522 1.110 20 0 HDADLP Cc1c(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676341826 1075515184 /nfs/dbraw/zinc/51/51/84/1075515184.db2.gz VZEMAAOGJLVPRK-GOSISDBHSA-N 2 2 410.522 1.110 20 0 HDADLP CC[C@@H](C)Oc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OC ZINC000676417390 1075548690 /nfs/dbraw/zinc/54/86/90/1075548690.db2.gz BTUIHJACYTXDCG-MJGOQNOKSA-N 2 2 405.539 1.895 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)cc1OC ZINC000509416096 1075561952 /nfs/dbraw/zinc/56/19/52/1075561952.db2.gz LXFRKJFYATWPBM-OALUTQOASA-N 2 2 418.582 1.681 20 0 HDADLP COc1cc(C)c(C[NH+]2CCN(C(=O)CN3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1OC ZINC000509416096 1075561956 /nfs/dbraw/zinc/56/19/56/1075561956.db2.gz LXFRKJFYATWPBM-OALUTQOASA-N 2 2 418.582 1.681 20 0 HDADLP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000676478729 1075566333 /nfs/dbraw/zinc/56/63/33/1075566333.db2.gz OTNLCCYQFYXRPV-ZOBUZTSGSA-N 2 2 405.524 1.433 20 0 HDADLP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000676478729 1075566338 /nfs/dbraw/zinc/56/63/38/1075566338.db2.gz OTNLCCYQFYXRPV-ZOBUZTSGSA-N 2 2 405.524 1.433 20 0 HDADLP C/C(=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000732078447 1075617304 /nfs/dbraw/zinc/61/73/04/1075617304.db2.gz FSOGKJHNFKPBHM-SDXDJHTJSA-N 2 2 416.541 1.926 20 0 HDADLP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000804223763 1075775445 /nfs/dbraw/zinc/77/54/45/1075775445.db2.gz HIIVVFZNBWYYKK-UHFFFAOYSA-N 2 2 401.555 1.438 20 0 HDADLP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C1CC1 ZINC000804223763 1075775453 /nfs/dbraw/zinc/77/54/53/1075775453.db2.gz HIIVVFZNBWYYKK-UHFFFAOYSA-N 2 2 401.555 1.438 20 0 HDADLP CC(=O)N1C[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558415 1075785309 /nfs/dbraw/zinc/78/53/09/1075785309.db2.gz AHHMUHHSGXKLBY-RXVVDRJESA-N 2 2 400.523 1.427 20 0 HDADLP CC(=O)N1C[C@@H](C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558415 1075785311 /nfs/dbraw/zinc/78/53/11/1075785311.db2.gz AHHMUHHSGXKLBY-RXVVDRJESA-N 2 2 400.523 1.427 20 0 HDADLP CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732560230 1075785985 /nfs/dbraw/zinc/78/59/85/1075785985.db2.gz WSWMTPJRYURKOE-LJQANCHMSA-N 2 2 414.550 1.819 20 0 HDADLP CN(C(=O)CCC(=O)N1CCOc2ccccc21)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732560230 1075785993 /nfs/dbraw/zinc/78/59/93/1075785993.db2.gz WSWMTPJRYURKOE-LJQANCHMSA-N 2 2 414.550 1.819 20 0 HDADLP CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565402 1075789653 /nfs/dbraw/zinc/78/96/53/1075789653.db2.gz YPGRYKTWXQSMDK-KRWDZBQOSA-N 2 2 420.941 1.692 20 0 HDADLP CN(C(=O)CN1C(=O)COc2ccc(Cl)cc21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565402 1075789657 /nfs/dbraw/zinc/78/96/57/1075789657.db2.gz YPGRYKTWXQSMDK-KRWDZBQOSA-N 2 2 420.941 1.692 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cncc(I)c3)C2)CC1 ZINC000611134786 1075849781 /nfs/dbraw/zinc/84/97/81/1075849781.db2.gz VBTBVLXZZVGEEC-AWEZNQCLSA-N 2 2 414.291 1.585 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cncc(I)c3)C2)CC1 ZINC000611134786 1075849788 /nfs/dbraw/zinc/84/97/88/1075849788.db2.gz VBTBVLXZZVGEEC-AWEZNQCLSA-N 2 2 414.291 1.585 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1 ZINC000732780559 1075864111 /nfs/dbraw/zinc/86/41/11/1075864111.db2.gz KURAKVUDVNTSMU-MRXNPFEDSA-N 2 2 424.542 1.165 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)C2)CC1 ZINC000732780559 1075864115 /nfs/dbraw/zinc/86/41/15/1075864115.db2.gz KURAKVUDVNTSMU-MRXNPFEDSA-N 2 2 424.542 1.165 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000733164349 1075997408 /nfs/dbraw/zinc/99/74/08/1075997408.db2.gz PVKGEUJYDBZPQN-UHFFFAOYSA-N 2 2 412.556 1.162 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000733164349 1075997411 /nfs/dbraw/zinc/99/74/11/1075997411.db2.gz PVKGEUJYDBZPQN-UHFFFAOYSA-N 2 2 412.556 1.162 20 0 HDADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000512458129 1076002647 /nfs/dbraw/zinc/00/26/47/1076002647.db2.gz XZHKQDGPSOEYSB-CBJLPSGESA-N 2 2 416.610 1.349 20 0 HDADLP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C[C@H](C)O1 ZINC000512458129 1076002653 /nfs/dbraw/zinc/00/26/53/1076002653.db2.gz XZHKQDGPSOEYSB-CBJLPSGESA-N 2 2 416.610 1.349 20 0 HDADLP COC(=O)CC[N@H+](CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185383 1076012461 /nfs/dbraw/zinc/01/24/61/1076012461.db2.gz YWXPRMDFGNVREB-QFIPXVFZSA-N 2 2 416.522 1.804 20 0 HDADLP COC(=O)CC[N@@H+](CN1C(=O)N[C@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185383 1076012466 /nfs/dbraw/zinc/01/24/66/1076012466.db2.gz YWXPRMDFGNVREB-QFIPXVFZSA-N 2 2 416.522 1.804 20 0 HDADLP COC(=O)CC[NH+](CN1C(=O)N[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185383 1076012472 /nfs/dbraw/zinc/01/24/72/1076012472.db2.gz YWXPRMDFGNVREB-QFIPXVFZSA-N 2 2 416.522 1.804 20 0 HDADLP COC(=O)CC[NH+](CN1C(=O)N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185383 1076012480 /nfs/dbraw/zinc/01/24/80/1076012480.db2.gz YWXPRMDFGNVREB-QFIPXVFZSA-N 2 2 416.522 1.804 20 0 HDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648367 1076140262 /nfs/dbraw/zinc/14/02/62/1076140262.db2.gz IFEHMSWIEPFXJA-LEWJYISDSA-N 2 2 417.554 1.179 20 0 HDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648367 1076140263 /nfs/dbraw/zinc/14/02/63/1076140263.db2.gz IFEHMSWIEPFXJA-LEWJYISDSA-N 2 2 417.554 1.179 20 0 HDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533830203 1076245425 /nfs/dbraw/zinc/24/54/25/1076245425.db2.gz ZBRLXFKUFHVGSX-HXUWFJFHSA-N 2 2 423.517 1.818 20 0 HDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533830203 1076245427 /nfs/dbraw/zinc/24/54/27/1076245427.db2.gz ZBRLXFKUFHVGSX-HXUWFJFHSA-N 2 2 423.517 1.818 20 0 HDADLP COCCN(CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)OC(C)(C)C ZINC000733952425 1076273542 /nfs/dbraw/zinc/27/35/42/1076273542.db2.gz HAAZGVOTUIXBSH-UHFFFAOYSA-N 2 2 412.575 1.545 20 0 HDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC000728174845 1076364995 /nfs/dbraw/zinc/36/49/95/1076364995.db2.gz YKJNOAMYLFFRDQ-OAQYLSRUSA-N 2 2 417.550 1.957 20 0 HDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC000728174845 1076365001 /nfs/dbraw/zinc/36/50/01/1076365001.db2.gz YKJNOAMYLFFRDQ-OAQYLSRUSA-N 2 2 417.550 1.957 20 0 HDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC000728174845 1076365008 /nfs/dbraw/zinc/36/50/08/1076365008.db2.gz YKJNOAMYLFFRDQ-OAQYLSRUSA-N 2 2 417.550 1.957 20 0 HDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@@H]3C3OCCO3)CC2)cc1 ZINC000728174845 1076365014 /nfs/dbraw/zinc/36/50/14/1076365014.db2.gz YKJNOAMYLFFRDQ-OAQYLSRUSA-N 2 2 417.550 1.957 20 0 HDADLP COc1ccc(/C=C/C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000729979441 1076404114 /nfs/dbraw/zinc/40/41/14/1076404114.db2.gz AIYRHWKSMFUJBP-RMKNXTFCSA-N 2 2 414.550 1.405 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164698589 719838908 /nfs/dbraw/zinc/83/89/08/719838908.db2.gz FWFBLRDLLSBABT-BFUOFWGJSA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C[NH+]2CCCC2)cn1 ZINC001164702335 719867527 /nfs/dbraw/zinc/86/75/27/719867527.db2.gz ILACOSYXRMXEND-KNQAVFIVSA-N 2 2 402.539 1.910 20 0 HDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164709353 719916061 /nfs/dbraw/zinc/91/60/61/719916061.db2.gz UEHYXISZYIMFAJ-UHFFFAOYSA-N 2 2 409.538 1.366 20 0 HDADLP CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CCN2c2cccc(N3CC[NH+](C)CC3)[nH+]2)O1 ZINC001164724940 720322311 /nfs/dbraw/zinc/32/23/11/720322311.db2.gz STNHQTDYSXWKFC-FHWLQOOXSA-N 2 2 417.554 1.065 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001164825445 720331251 /nfs/dbraw/zinc/33/12/51/720331251.db2.gz FEJKQLIXUAHDNY-LEWJYISDSA-N 3 2 412.582 1.403 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)[nH+]2)CC1 ZINC001164732308 720501894 /nfs/dbraw/zinc/50/18/94/720501894.db2.gz ZBJQUESUATYJDI-CVDCTZTESA-N 2 2 422.533 1.853 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCCn4c(=O)cc(Cn5cc[nH+]c5)nc4C3)n2)CC1 ZINC001164857586 720896191 /nfs/dbraw/zinc/89/61/91/720896191.db2.gz IVSZPAQZQDCICA-UHFFFAOYSA-N 2 2 420.521 1.045 20 0 HDADLP C[C@H]1CCCN(c2cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)nc[nH+]2)C1 ZINC001164754741 720966121 /nfs/dbraw/zinc/96/61/21/720966121.db2.gz WOCWYFLWHGYPIZ-HNNXBMFYSA-N 2 2 413.526 1.555 20 0 HDADLP C[C@H]1CCCN(c2cc(N3CCc4onc(C(=O)NCC[NH+](C)C)c4C3)[nH+]cn2)C1 ZINC001164754741 720966128 /nfs/dbraw/zinc/96/61/28/720966128.db2.gz WOCWYFLWHGYPIZ-HNNXBMFYSA-N 2 2 413.526 1.555 20 0 HDADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896631 721426226 /nfs/dbraw/zinc/42/62/26/721426226.db2.gz RQCGJOXIBUFNDK-NFBKMPQASA-N 2 2 415.582 1.684 20 0 HDADLP CCc1cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc(N2CCOCC2)[nH+]1 ZINC001165010006 721741744 /nfs/dbraw/zinc/74/17/44/721741744.db2.gz KQXDGLRUOAWWKS-UHFFFAOYSA-N 2 2 416.570 1.399 20 0 HDADLP CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164921226 721836375 /nfs/dbraw/zinc/83/63/75/721836375.db2.gz CNHDFOYONLZCNV-XXBNENTESA-N 2 2 423.565 1.888 20 0 HDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164967169 722074064 /nfs/dbraw/zinc/07/40/64/722074064.db2.gz MEXQHESKUQJNRC-HDICACEKSA-N 2 2 401.511 1.165 20 0 HDADLP COC(=O)C1CCN(c2cc[nH+]c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)CC1 ZINC001164967169 722074065 /nfs/dbraw/zinc/07/40/65/722074065.db2.gz MEXQHESKUQJNRC-HDICACEKSA-N 2 2 401.511 1.165 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164983070 722126524 /nfs/dbraw/zinc/12/65/24/722126524.db2.gz XXGRPZCUOGYKBN-FUHWJXTLSA-N 2 2 422.489 1.867 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164983070 722126531 /nfs/dbraw/zinc/12/65/31/722126531.db2.gz XXGRPZCUOGYKBN-FUHWJXTLSA-N 2 2 422.489 1.867 20 0 HDADLP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1S(N)(=O)=O ZINC000673683080 1073638962 /nfs/dbraw/zinc/63/89/62/1073638962.db2.gz VPRKXITUEPDTHI-UHFFFAOYSA-N 2 2 408.568 1.323 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)[nH+]c12 ZINC000673770393 1073713731 /nfs/dbraw/zinc/71/37/31/1073713731.db2.gz RMHXJZXKYIBIHJ-UHFFFAOYSA-N 2 2 407.522 1.831 20 0 HDADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(c2)[C@H](C(=O)OC(C)(C)C)CCNC3=O)CC1 ZINC001168746391 1073824300 /nfs/dbraw/zinc/82/43/00/1073824300.db2.gz NFCMUMQPHIRBOU-MRXNPFEDSA-N 2 2 401.511 1.839 20 0 HDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000673858155 1073825889 /nfs/dbraw/zinc/82/58/89/1073825889.db2.gz MORSSHCCNWCHDX-UHFFFAOYSA-N 2 2 415.538 1.403 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cn1 ZINC000673869770 1073833778 /nfs/dbraw/zinc/83/37/78/1073833778.db2.gz UOUNUGNCXCAXPA-LJQANCHMSA-N 2 2 400.527 1.510 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)cn1 ZINC000673867545 1073845144 /nfs/dbraw/zinc/84/51/44/1073845144.db2.gz OUFVNMKVSCJATB-UHFFFAOYSA-N 2 2 416.526 1.477 20 0 HDADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](c2ccccc2)C1 ZINC000059297525 1074135418 /nfs/dbraw/zinc/13/54/18/1074135418.db2.gz HSBZOPSTGWPHGY-OAQYLSRUSA-N 2 2 423.565 1.687 20 0 HDADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](c2ccccc2)C1 ZINC000059297525 1074135425 /nfs/dbraw/zinc/13/54/25/1074135425.db2.gz HSBZOPSTGWPHGY-OAQYLSRUSA-N 2 2 423.565 1.687 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000674330746 1074286187 /nfs/dbraw/zinc/28/61/87/1074286187.db2.gz NRKVOJSKQQBDIP-IBGZPJMESA-N 2 2 423.602 1.119 20 0 HDADLP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670481524 1074534690 /nfs/dbraw/zinc/53/46/90/1074534690.db2.gz MMXJHDTZWHTPPH-GOSISDBHSA-N 3 2 407.603 1.039 20 0 HDADLP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670481524 1074534696 /nfs/dbraw/zinc/53/46/96/1074534696.db2.gz MMXJHDTZWHTPPH-GOSISDBHSA-N 3 2 407.603 1.039 20 0 HDADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000674706767 1074535749 /nfs/dbraw/zinc/53/57/49/1074535749.db2.gz KLNKDUSPJHLDPX-KRWDZBQOSA-N 2 2 405.543 1.553 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778533 1074553375 /nfs/dbraw/zinc/55/33/75/1074553375.db2.gz LBGOXOMVTWJWTP-KBXCAEBGSA-N 2 2 421.492 1.538 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778533 1074553379 /nfs/dbraw/zinc/55/33/79/1074553379.db2.gz LBGOXOMVTWJWTP-KBXCAEBGSA-N 2 2 421.492 1.538 20 0 HDADLP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1[C@H](C)C1CC1 ZINC000541402820 1074737237 /nfs/dbraw/zinc/73/72/37/1074737237.db2.gz YJVUTFCVWACKMD-MRXNPFEDSA-N 2 2 416.570 1.776 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000543615069 1074742736 /nfs/dbraw/zinc/74/27/36/1074742736.db2.gz POVANONJXHTACL-FQEVSTJZSA-N 2 2 408.506 1.777 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000543615069 1074742743 /nfs/dbraw/zinc/74/27/43/1074742743.db2.gz POVANONJXHTACL-FQEVSTJZSA-N 2 2 408.506 1.777 20 0 HDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000675196644 1074755333 /nfs/dbraw/zinc/75/53/33/1074755333.db2.gz GVDMPISQIUZMEL-SFHVURJKSA-N 2 2 417.558 1.019 20 0 HDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000675196644 1074755338 /nfs/dbraw/zinc/75/53/38/1074755338.db2.gz GVDMPISQIUZMEL-SFHVURJKSA-N 2 2 417.558 1.019 20 0 HDADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438362352 1074796439 /nfs/dbraw/zinc/79/64/39/1074796439.db2.gz YZXLSARLNQEOJM-QGZVFWFLSA-N 2 2 418.567 2.235 20 0 HDADLP COc1ccc([C@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[NH+]2CCCC2)cc1 ZINC000670510550 1075094160 /nfs/dbraw/zinc/09/41/60/1075094160.db2.gz LLFQXVYFJNIQNB-NRFANRHFSA-N 2 2 414.550 1.645 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497054 1075177333 /nfs/dbraw/zinc/17/73/33/1075177333.db2.gz UPCSWFWEWFEPMM-OALUTQOASA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497054 1075177334 /nfs/dbraw/zinc/17/73/34/1075177334.db2.gz UPCSWFWEWFEPMM-OALUTQOASA-N 2 2 405.587 1.635 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605463 1075221202 /nfs/dbraw/zinc/22/12/02/1075221202.db2.gz MJBVEDAFZSSLSC-UYAOXDASSA-N 2 2 414.550 1.624 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605463 1075221207 /nfs/dbraw/zinc/22/12/07/1075221207.db2.gz MJBVEDAFZSSLSC-UYAOXDASSA-N 2 2 414.550 1.624 20 0 HDADLP CCOc1ccc(C(=O)NCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000675604819 1075221896 /nfs/dbraw/zinc/22/18/96/1075221896.db2.gz GDKIWSFZWCGUCE-IBGZPJMESA-N 2 2 402.539 1.442 20 0 HDADLP CCOc1ccc(C(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000675604819 1075221902 /nfs/dbraw/zinc/22/19/02/1075221902.db2.gz GDKIWSFZWCGUCE-IBGZPJMESA-N 2 2 402.539 1.442 20 0 HDADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509357380 1075241606 /nfs/dbraw/zinc/24/16/06/1075241606.db2.gz KNJBIDQKOZHLIG-JOCHJYFZSA-N 2 2 413.610 1.827 20 0 HDADLP COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C(C)C ZINC000429376236 1075272157 /nfs/dbraw/zinc/27/21/57/1075272157.db2.gz FHDPVJYTTVQUKA-FPOVZHCZSA-N 2 2 403.523 1.977 20 0 HDADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C(C)C ZINC000429376236 1075272158 /nfs/dbraw/zinc/27/21/58/1075272158.db2.gz FHDPVJYTTVQUKA-FPOVZHCZSA-N 2 2 403.523 1.977 20 0 HDADLP COc1cccc([C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821628 1075277571 /nfs/dbraw/zinc/27/75/71/1075277571.db2.gz KFLJGWAXUNGDSP-GHTZIAJQSA-N 2 2 402.539 1.947 20 0 HDADLP COc1cccc([C@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821628 1075277576 /nfs/dbraw/zinc/27/75/76/1075277576.db2.gz KFLJGWAXUNGDSP-GHTZIAJQSA-N 2 2 402.539 1.947 20 0 HDADLP COc1cc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000675885512 1075289131 /nfs/dbraw/zinc/28/91/31/1075289131.db2.gz CVVFVDQTELGTAI-WMZOPIPTSA-N 2 2 411.568 1.156 20 0 HDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000675887151 1075289743 /nfs/dbraw/zinc/28/97/43/1075289743.db2.gz YFXLNXSFESWXPY-IRXDYDNUSA-N 2 2 404.946 1.978 20 0 HDADLP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090072 1075373319 /nfs/dbraw/zinc/37/33/19/1075373319.db2.gz PCLVKAKWWGYYRD-UHFFFAOYSA-N 2 2 420.473 1.354 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC000676090108 1075373824 /nfs/dbraw/zinc/37/38/24/1075373824.db2.gz PQZXNZZEUYOTAF-QGZVFWFLSA-N 2 2 406.918 1.456 20 0 HDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000429399095 1075412431 /nfs/dbraw/zinc/41/24/31/1075412431.db2.gz VZUZNMHEGAAUGG-UGKGYDQZSA-N 2 2 413.493 1.940 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000731678548 1075461348 /nfs/dbraw/zinc/46/13/48/1075461348.db2.gz POULOSJVUVXMHK-UHFFFAOYSA-N 2 2 422.595 1.459 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676265692 1075464407 /nfs/dbraw/zinc/46/44/07/1075464407.db2.gz XYRNEASRUGDZJS-YLJYHZDGSA-N 2 2 417.554 1.234 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676265692 1075464411 /nfs/dbraw/zinc/46/44/11/1075464411.db2.gz XYRNEASRUGDZJS-YLJYHZDGSA-N 2 2 417.554 1.234 20 0 HDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683655 1075468204 /nfs/dbraw/zinc/46/82/04/1075468204.db2.gz IJDWWFKDPAPEKQ-FXAWDEMLSA-N 2 2 422.595 1.630 20 0 HDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683655 1075468208 /nfs/dbraw/zinc/46/82/08/1075468208.db2.gz IJDWWFKDPAPEKQ-FXAWDEMLSA-N 2 2 422.595 1.630 20 0 HDADLP C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676293662 1075497714 /nfs/dbraw/zinc/49/77/14/1075497714.db2.gz YUIZDERQYUQKJT-RZQQEMMASA-N 2 2 407.534 1.657 20 0 HDADLP C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676293662 1075497716 /nfs/dbraw/zinc/49/77/16/1075497716.db2.gz YUIZDERQYUQKJT-RZQQEMMASA-N 2 2 407.534 1.657 20 0 HDADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)o1 ZINC000731761266 1075515209 /nfs/dbraw/zinc/51/52/09/1075515209.db2.gz BJFMFCZJWGCKIP-UHFFFAOYSA-N 2 2 414.572 1.170 20 0 HDADLP O=C1C[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CN1CC[NH+]1CCOCC1 ZINC000676418739 1075549425 /nfs/dbraw/zinc/54/94/25/1075549425.db2.gz ODNQUAPSHHZLKD-PZJWPPBQSA-N 2 2 403.523 1.267 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501186 1075569756 /nfs/dbraw/zinc/56/97/56/1075569756.db2.gz PIQANGCQKRITBW-UKRRQHHQSA-N 2 2 405.465 1.007 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501186 1075569760 /nfs/dbraw/zinc/56/97/60/1075569760.db2.gz PIQANGCQKRITBW-UKRRQHHQSA-N 2 2 405.465 1.007 20 0 HDADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000676719500 1075654945 /nfs/dbraw/zinc/65/49/45/1075654945.db2.gz GPFJNVAUXNEXSC-HXUWFJFHSA-N 2 2 416.566 1.194 20 0 HDADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000676719500 1075654955 /nfs/dbraw/zinc/65/49/55/1075654955.db2.gz GPFJNVAUXNEXSC-HXUWFJFHSA-N 2 2 416.566 1.194 20 0 HDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 ZINC000507405566 1075700024 /nfs/dbraw/zinc/70/00/24/1075700024.db2.gz QBJGIWLJLBLOBG-UHFFFAOYSA-N 2 2 416.505 1.226 20 0 HDADLP C[C@@H]1C[NH+](CCCNc2cc(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ncn2)C[C@H](C)O1 ZINC000439831671 1075701733 /nfs/dbraw/zinc/70/17/33/1075701733.db2.gz VYDZEKQQQFVCBF-FGYAAKKASA-N 2 2 420.602 2.299 20 0 HDADLP C[C@@H]1C[NH+](CCCNc2cc(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)ncn2)C[C@H](C)O1 ZINC000439831671 1075701740 /nfs/dbraw/zinc/70/17/40/1075701740.db2.gz VYDZEKQQQFVCBF-FGYAAKKASA-N 2 2 420.602 2.299 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3CN3CCCC3=O)CC2)CC1 ZINC000732457798 1075749354 /nfs/dbraw/zinc/74/93/54/1075749354.db2.gz AFUFZKXDIIHSIZ-FQEVSTJZSA-N 2 2 405.587 1.732 20 0 HDADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000509263874 1075752957 /nfs/dbraw/zinc/75/29/57/1075752957.db2.gz NRDWCVMTIREXGG-UHFFFAOYSA-N 2 2 416.570 1.768 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCNc3ccc4ccccc4n3)CC2)CC1 ZINC000555336358 1075777454 /nfs/dbraw/zinc/77/74/54/1075777454.db2.gz RJFZEJWXLVLVMC-UHFFFAOYSA-N 2 2 410.566 2.505 20 0 HDADLP CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558569 1075785703 /nfs/dbraw/zinc/78/57/03/1075785703.db2.gz BRQMOSSTDGVUPO-QKWWCAPFSA-N 2 2 420.579 1.698 20 0 HDADLP CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558569 1075785707 /nfs/dbraw/zinc/78/57/07/1075785707.db2.gz BRQMOSSTDGVUPO-QKWWCAPFSA-N 2 2 420.579 1.698 20 0 HDADLP CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732564527 1075789762 /nfs/dbraw/zinc/78/97/62/1075789762.db2.gz QASLIMGXFZRIOA-OAHLLOKOSA-N 2 2 400.445 1.494 20 0 HDADLP CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732564527 1075789769 /nfs/dbraw/zinc/78/97/69/1075789769.db2.gz QASLIMGXFZRIOA-OAHLLOKOSA-N 2 2 400.445 1.494 20 0 HDADLP CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565116 1075789985 /nfs/dbraw/zinc/78/99/85/1075789985.db2.gz VRSHRKBHGPXWKI-QAPCUYQASA-N 2 2 417.476 1.187 20 0 HDADLP CN(C(=O)C[C@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565116 1075789988 /nfs/dbraw/zinc/78/99/88/1075789988.db2.gz VRSHRKBHGPXWKI-QAPCUYQASA-N 2 2 417.476 1.187 20 0 HDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427080035 1075809252 /nfs/dbraw/zinc/80/92/52/1075809252.db2.gz FHYKLLBOJOZSGT-SFHVURJKSA-N 2 2 424.549 1.821 20 0 HDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427080035 1075809256 /nfs/dbraw/zinc/80/92/56/1075809256.db2.gz FHYKLLBOJOZSGT-SFHVURJKSA-N 2 2 424.549 1.821 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1 ZINC000732780910 1075865295 /nfs/dbraw/zinc/86/52/95/1075865295.db2.gz NGEZGXHIJMMILR-LJQANCHMSA-N 2 2 402.539 1.978 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCNC(=O)OCc3ccccc3)C2)CC1 ZINC000732780910 1075865298 /nfs/dbraw/zinc/86/52/98/1075865298.db2.gz NGEZGXHIJMMILR-LJQANCHMSA-N 2 2 402.539 1.978 20 0 HDADLP Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782365 1075866183 /nfs/dbraw/zinc/86/61/83/1075866183.db2.gz YAQYQFNDXKILDP-DLBZAZTESA-N 2 2 402.514 1.772 20 0 HDADLP Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782365 1075866190 /nfs/dbraw/zinc/86/61/90/1075866190.db2.gz YAQYQFNDXKILDP-DLBZAZTESA-N 2 2 402.514 1.772 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782740 1075867812 /nfs/dbraw/zinc/86/78/12/1075867812.db2.gz ZCHVNARPDXZLHD-ROUUACIJSA-N 2 2 418.969 1.973 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782740 1075867816 /nfs/dbraw/zinc/86/78/16/1075867816.db2.gz ZCHVNARPDXZLHD-ROUUACIJSA-N 2 2 418.969 1.973 20 0 HDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810313 1075871325 /nfs/dbraw/zinc/87/13/25/1075871325.db2.gz LGCBLQRCBPUUDW-HNNXBMFYSA-N 2 2 413.444 1.215 20 0 HDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810313 1075871326 /nfs/dbraw/zinc/87/13/26/1075871326.db2.gz LGCBLQRCBPUUDW-HNNXBMFYSA-N 2 2 413.444 1.215 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](N4CCCCC4=O)C3)CC2)CC1 ZINC000732824033 1075880052 /nfs/dbraw/zinc/88/00/52/1075880052.db2.gz GCUBJGRSBHOERR-FQEVSTJZSA-N 2 2 405.587 1.732 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732834219 1075882227 /nfs/dbraw/zinc/88/22/27/1075882227.db2.gz OWMCNBJWXOOOPO-AWEZNQCLSA-N 2 2 420.608 1.970 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732834219 1075882228 /nfs/dbraw/zinc/88/22/28/1075882228.db2.gz OWMCNBJWXOOOPO-AWEZNQCLSA-N 2 2 420.608 1.970 20 0 HDADLP COC(=O)c1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C1CC1 ZINC000611544303 1075959110 /nfs/dbraw/zinc/95/91/10/1075959110.db2.gz NYQUAJAMCSPXFW-KRWDZBQOSA-N 2 2 415.538 1.713 20 0 HDADLP COC(=O)c1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C1CC1 ZINC000611544303 1075959112 /nfs/dbraw/zinc/95/91/12/1075959112.db2.gz NYQUAJAMCSPXFW-KRWDZBQOSA-N 2 2 415.538 1.713 20 0 HDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648370 1076140209 /nfs/dbraw/zinc/14/02/09/1076140209.db2.gz IFEHMSWIEPFXJA-SFTDATJTSA-N 2 2 417.554 1.179 20 0 HDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648370 1076140216 /nfs/dbraw/zinc/14/02/16/1076140216.db2.gz IFEHMSWIEPFXJA-SFTDATJTSA-N 2 2 417.554 1.179 20 0 HDADLP NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C[NH+]3CCOCC3)CC1)CCC2 ZINC000727833012 1076264475 /nfs/dbraw/zinc/26/44/75/1076264475.db2.gz IHRGTGGGYPWZPB-UHFFFAOYSA-N 2 2 406.552 1.318 20 0 HDADLP C/C(=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000729979512 1076404031 /nfs/dbraw/zinc/40/40/31/1076404031.db2.gz DTVRKMPWKKRQDD-FBMGVBCBSA-N 2 2 416.541 1.926 20 0 HDADLP CN(C(=O)/C=C\c1ccccc1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980706 1076404740 /nfs/dbraw/zinc/40/47/40/1076404740.db2.gz SLVJYSNESBKBBB-FPLPWBNLSA-N 2 2 402.514 1.536 20 0 HDADLP O=C(c1cccnc1N1CCOCC12C[NH2+]C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164401465 718860571 /nfs/dbraw/zinc/86/05/71/718860571.db2.gz DZISJRZABWIUAR-UHFFFAOYSA-N 2 2 407.518 1.218 20 0 HDADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c3C2)cc1 ZINC001164419827 718913681 /nfs/dbraw/zinc/91/36/81/718913681.db2.gz COLXPJHIIKIHBS-HSZRJFAPSA-N 2 2 409.534 1.620 20 0 HDADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCCO[C@]5(C[NH2+]CCOC5)C4)c3C2)cc1 ZINC001164419827 718913686 /nfs/dbraw/zinc/91/36/86/718913686.db2.gz COLXPJHIIKIHBS-HSZRJFAPSA-N 2 2 409.534 1.620 20 0 HDADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]cnc4[nH]cc(C(=O)OC)c43)CC2)CC1 ZINC001164616355 719028543 /nfs/dbraw/zinc/02/85/43/719028543.db2.gz BPKMLOAUBKMMII-UHFFFAOYSA-N 2 2 415.494 1.988 20 0 HDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164723386 720306803 /nfs/dbraw/zinc/30/68/03/720306803.db2.gz OKOPQXLFHRCCKI-QFIPXVFZSA-N 2 2 401.555 1.342 20 0 HDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncccc3C[NH+]3CCCC3)C2)C1 ZINC001164723386 720306809 /nfs/dbraw/zinc/30/68/09/720306809.db2.gz OKOPQXLFHRCCKI-QFIPXVFZSA-N 2 2 401.555 1.342 20 0 HDADLP CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CCN2c2cccc(N3CC[NH+](C)CC3)[nH+]2)O1 ZINC001164724943 720322138 /nfs/dbraw/zinc/32/21/38/720322138.db2.gz STNHQTDYSXWKFC-QYZOEREBSA-N 2 2 417.554 1.065 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(Cn3cncn3)c[nH+]2)CC1 ZINC001164821713 720338766 /nfs/dbraw/zinc/33/87/66/720338766.db2.gz BMEXQBREVRVIMF-PMACEKPBSA-N 2 2 409.538 1.633 20 0 HDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc5c(n4)C[NH2+]C5)CC3)C2=O)cs1 ZINC001164820363 720370490 /nfs/dbraw/zinc/37/04/90/720370490.db2.gz ORLXWKLPFYMTKJ-UHFFFAOYSA-N 2 2 413.551 1.158 20 0 HDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc5c(n4)C[NH2+]C5)CC3)C2=O)cs1 ZINC001164820363 720370495 /nfs/dbraw/zinc/37/04/95/720370495.db2.gz ORLXWKLPFYMTKJ-UHFFFAOYSA-N 2 2 413.551 1.158 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH+]cc21 ZINC001164739009 720749577 /nfs/dbraw/zinc/74/95/77/720749577.db2.gz HKQABBQDSIDCAJ-LSDHHAIUSA-N 2 2 408.462 1.872 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)[nH+]cc21 ZINC001164739009 720749587 /nfs/dbraw/zinc/74/95/87/720749587.db2.gz HKQABBQDSIDCAJ-LSDHHAIUSA-N 2 2 408.462 1.872 20 0 HDADLP CCOC(=O)c1c(C)cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]c1C ZINC001164750522 720958593 /nfs/dbraw/zinc/95/85/93/720958593.db2.gz KRWFEHNMWUCXNI-UHFFFAOYSA-N 2 2 415.494 1.717 20 0 HDADLP CN(c1ncccn1)[C@H]1CO[C@@]2(C1)CCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164921217 721836415 /nfs/dbraw/zinc/83/64/15/721836415.db2.gz CNHDFOYONLZCNV-AUSIDOKSSA-N 2 2 423.565 1.888 20 0 HDADLP CN(C)C(=O)N[C@H]1CCO[C@@]2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164954395 722009632 /nfs/dbraw/zinc/00/96/32/722009632.db2.gz LVNCMRZLVQNTJJ-UWJYYQICSA-N 2 2 402.543 1.233 20 0 HDADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC001164960642 722023615 /nfs/dbraw/zinc/02/36/15/722023615.db2.gz MABVHCDAXWYMMU-IBGZPJMESA-N 2 2 421.549 1.818 20 0 HDADLP NC(=O)[C@@H]1CCCN1c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC001164960642 722023616 /nfs/dbraw/zinc/02/36/16/722023616.db2.gz MABVHCDAXWYMMU-IBGZPJMESA-N 2 2 421.549 1.818 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164982804 722102992 /nfs/dbraw/zinc/10/29/92/722102992.db2.gz PDBYXZDMJJFLCC-WOJBJXKFSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164982804 722102993 /nfs/dbraw/zinc/10/29/93/722102993.db2.gz PDBYXZDMJJFLCC-WOJBJXKFSA-N 2 2 410.522 1.436 20 0 HDADLP COc1ccc(-c2cc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]n2)cc1OC ZINC000674360871 1074292036 /nfs/dbraw/zinc/29/20/36/1074292036.db2.gz YSRRUIMRNOKRSQ-INIZCTEOSA-N 2 2 413.522 1.992 20 0 HDADLP COc1ccc(-c2cc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)[nH]n2)cc1OC ZINC000674360871 1074292042 /nfs/dbraw/zinc/29/20/42/1074292042.db2.gz YSRRUIMRNOKRSQ-INIZCTEOSA-N 2 2 413.522 1.992 20 0 HDADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000674394011 1074309656 /nfs/dbraw/zinc/30/96/56/1074309656.db2.gz RQJCOOYIFZSANB-UHFFFAOYSA-N 2 2 409.619 1.594 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000674394011 1074309661 /nfs/dbraw/zinc/30/96/61/1074309661.db2.gz RQJCOOYIFZSANB-UHFFFAOYSA-N 2 2 409.619 1.594 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000674799070 1074561885 /nfs/dbraw/zinc/56/18/85/1074561885.db2.gz AHUSHTSFQXIDOG-AWEZNQCLSA-N 2 2 412.456 1.720 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000674799070 1074561893 /nfs/dbraw/zinc/56/18/93/1074561893.db2.gz AHUSHTSFQXIDOG-AWEZNQCLSA-N 2 2 412.456 1.720 20 0 HDADLP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000675087123 1074705110 /nfs/dbraw/zinc/70/51/10/1074705110.db2.gz KHMPKDZEJDSUCN-UHFFFAOYSA-N 2 2 416.566 1.336 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)ccn2)CC1 ZINC000543616591 1074757709 /nfs/dbraw/zinc/75/77/09/1074757709.db2.gz KLSSERNMPXCFHO-UHFFFAOYSA-N 2 2 414.554 1.951 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N3CCC[N@H+](C4CCCC4)CC3)ccn2)CC1 ZINC000543616591 1074757711 /nfs/dbraw/zinc/75/77/11/1074757711.db2.gz KLSSERNMPXCFHO-UHFFFAOYSA-N 2 2 414.554 1.951 20 0 HDADLP COc1ccc(C(=O)NCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000675605285 1075221624 /nfs/dbraw/zinc/22/16/24/1075221624.db2.gz LOIBRRVIRXBTAN-SFHVURJKSA-N 2 2 418.538 1.061 20 0 HDADLP COc1ccc(C(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000675605285 1075221629 /nfs/dbraw/zinc/22/16/29/1075221629.db2.gz LOIBRRVIRXBTAN-SFHVURJKSA-N 2 2 418.538 1.061 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@@H](c4cccc(F)c4)CC3=O)CC2)CC1 ZINC000731355613 1075319430 /nfs/dbraw/zinc/31/94/30/1075319430.db2.gz CMLFHBZYCIWXOW-FQEVSTJZSA-N 2 2 416.541 1.975 20 0 HDADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000676090510 1075374927 /nfs/dbraw/zinc/37/49/27/1075374927.db2.gz RILXGJKNCKHRMW-GJZGRUSLSA-N 2 2 400.483 1.210 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccs1 ZINC000731686391 1075446122 /nfs/dbraw/zinc/44/61/22/1075446122.db2.gz ULNMEGMIOQUJFZ-OAHLLOKOSA-N 2 2 402.586 1.159 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731685818 1075448104 /nfs/dbraw/zinc/44/81/04/1075448104.db2.gz CFECKMLLNATNFR-IBGZPJMESA-N 2 2 408.568 1.069 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000731685818 1075448108 /nfs/dbraw/zinc/44/81/08/1075448108.db2.gz CFECKMLLNATNFR-IBGZPJMESA-N 2 2 408.568 1.069 20 0 HDADLP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731680211 1075462392 /nfs/dbraw/zinc/46/23/92/1075462392.db2.gz DDZCVLLOWYYBOU-UHFFFAOYSA-N 2 2 424.611 1.837 20 0 HDADLP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CC(=O)N(c4ccccc4F)C3=O)CC2)CC1 ZINC000543664922 1075463899 /nfs/dbraw/zinc/46/38/99/1075463899.db2.gz VSKHDMKCXYYBHL-IBGZPJMESA-N 2 2 402.514 1.807 20 0 HDADLP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC000731683147 1075466491 /nfs/dbraw/zinc/46/64/91/1075466491.db2.gz YRXGSRMPCWNHMS-IBGZPJMESA-N 2 2 416.632 1.551 20 0 HDADLP COc1cccc(OCC[NH+]2CCN(C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)c1 ZINC000483207715 1075490344 /nfs/dbraw/zinc/49/03/44/1075490344.db2.gz GNHOJVKDWFQPQU-UHFFFAOYSA-N 2 2 416.526 1.682 20 0 HDADLP C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676293666 1075497749 /nfs/dbraw/zinc/49/77/49/1075497749.db2.gz YUIZDERQYUQKJT-YRNRMSPPSA-N 2 2 407.534 1.657 20 0 HDADLP C[C@@H](NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676293666 1075497751 /nfs/dbraw/zinc/49/77/51/1075497751.db2.gz YUIZDERQYUQKJT-YRNRMSPPSA-N 2 2 407.534 1.657 20 0 HDADLP C[C@H]1CCC[C@](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000731757051 1075512915 /nfs/dbraw/zinc/51/29/15/1075512915.db2.gz SMMXCTGIPKCRCO-LPHOPBHVSA-N 2 2 402.605 1.305 20 0 HDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000676357845 1075531443 /nfs/dbraw/zinc/53/14/43/1075531443.db2.gz HXJJVOJUJIOUCU-FQEVSTJZSA-N 3 2 420.646 1.355 20 0 HDADLP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)CC1 ZINC000676357845 1075531452 /nfs/dbraw/zinc/53/14/52/1075531452.db2.gz HXJJVOJUJIOUCU-FQEVSTJZSA-N 3 2 420.646 1.355 20 0 HDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478726 1075566041 /nfs/dbraw/zinc/56/60/41/1075566041.db2.gz OTNLCCYQFYXRPV-UXLLHSPISA-N 2 2 405.524 1.433 20 0 HDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478726 1075566048 /nfs/dbraw/zinc/56/60/48/1075566048.db2.gz OTNLCCYQFYXRPV-UXLLHSPISA-N 2 2 405.524 1.433 20 0 HDADLP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000466732712 1075576182 /nfs/dbraw/zinc/57/61/82/1075576182.db2.gz JEIZBPDSSWTWQF-UHFFFAOYSA-N 3 2 417.598 1.943 20 0 HDADLP CN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474619339 1075588943 /nfs/dbraw/zinc/58/89/43/1075588943.db2.gz DXKYFKGOFSAQDU-HXUWFJFHSA-N 2 2 412.538 1.954 20 0 HDADLP CN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474619339 1075588945 /nfs/dbraw/zinc/58/89/45/1075588945.db2.gz DXKYFKGOFSAQDU-HXUWFJFHSA-N 2 2 412.538 1.954 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000429260197 1075710082 /nfs/dbraw/zinc/71/00/82/1075710082.db2.gz ZURMHURGAIWGGS-UHFFFAOYSA-N 2 2 400.462 1.911 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000429260197 1075710088 /nfs/dbraw/zinc/71/00/88/1075710088.db2.gz ZURMHURGAIWGGS-UHFFFAOYSA-N 2 2 400.462 1.911 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000535552008 1075732729 /nfs/dbraw/zinc/73/27/29/1075732729.db2.gz PQWCIMIWBREGSW-FUHWJXTLSA-N 2 2 418.929 1.598 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000535552008 1075732733 /nfs/dbraw/zinc/73/27/33/1075732733.db2.gz PQWCIMIWBREGSW-FUHWJXTLSA-N 2 2 418.929 1.598 20 0 HDADLP C[NH+](C)C[C@@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000554888413 1075741731 /nfs/dbraw/zinc/74/17/31/1075741731.db2.gz PXPWNQCXBVMVCM-GOSISDBHSA-N 2 2 420.945 2.293 20 0 HDADLP CN(C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732450808 1075741733 /nfs/dbraw/zinc/74/17/33/1075741733.db2.gz ZNDXSMLXXWILLL-SFHVURJKSA-N 2 2 409.575 1.807 20 0 HDADLP CN(C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732450808 1075741739 /nfs/dbraw/zinc/74/17/39/1075741739.db2.gz ZNDXSMLXXWILLL-SFHVURJKSA-N 2 2 409.575 1.807 20 0 HDADLP C[N@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000483561284 1075761314 /nfs/dbraw/zinc/76/13/14/1075761314.db2.gz NXBZRUPSTIYUPH-UHFFFAOYSA-N 2 2 404.490 1.608 20 0 HDADLP C[N@@H+](CCNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000483561284 1075761320 /nfs/dbraw/zinc/76/13/20/1075761320.db2.gz NXBZRUPSTIYUPH-UHFFFAOYSA-N 2 2 404.490 1.608 20 0 HDADLP COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000732525769 1075780596 /nfs/dbraw/zinc/78/05/96/1075780596.db2.gz CQIKDULXCASXIY-UHFFFAOYSA-N 2 2 415.538 1.095 20 0 HDADLP CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565387 1075789846 /nfs/dbraw/zinc/78/98/46/1075789846.db2.gz XYFHFYRHOVGCFO-YIDKXPIOSA-N 2 2 408.612 1.871 20 0 HDADLP CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565387 1075789850 /nfs/dbraw/zinc/78/98/50/1075789850.db2.gz XYFHFYRHOVGCFO-YIDKXPIOSA-N 2 2 408.612 1.871 20 0 HDADLP Cc1ncc(/C=C\C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000732765332 1075848461 /nfs/dbraw/zinc/84/84/61/1075848461.db2.gz ZABUEPSVYMQXJA-PLNGDYQASA-N 2 2 405.568 1.162 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000733163972 1075996216 /nfs/dbraw/zinc/99/62/16/1075996216.db2.gz IXXPYVIBEBNJJR-JXMROGBWSA-N 2 2 408.568 1.556 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1 ZINC000733163972 1075996220 /nfs/dbraw/zinc/99/62/20/1075996220.db2.gz IXXPYVIBEBNJJR-JXMROGBWSA-N 2 2 408.568 1.556 20 0 HDADLP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000733898293 1076258918 /nfs/dbraw/zinc/25/89/18/1076258918.db2.gz HWBKUMGXDMWLHC-QGZVFWFLSA-N 2 2 404.515 1.111 20 0 HDADLP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000733898293 1076258925 /nfs/dbraw/zinc/25/89/25/1076258925.db2.gz HWBKUMGXDMWLHC-QGZVFWFLSA-N 2 2 404.515 1.111 20 0 HDADLP CN(C(=O)C(F)(F)c1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980712 1076404633 /nfs/dbraw/zinc/40/46/33/1076404633.db2.gz STDDXDUCHUCIPG-UHFFFAOYSA-N 2 2 408.493 1.475 20 0 HDADLP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCNC(=O)C23C[NH2+]C3)n1 ZINC001164414408 718879418 /nfs/dbraw/zinc/87/94/18/718879418.db2.gz SQQRTHYZWDVFEV-UHFFFAOYSA-N 2 2 408.531 1.698 20 0 HDADLP COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)C1=O ZINC001164639110 719278559 /nfs/dbraw/zinc/27/85/59/719278559.db2.gz HMRKAXQLNSCXDZ-UHFFFAOYSA-N 2 2 407.946 1.140 20 0 HDADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4c3CC[NH2+]C4)CC2)C1=O ZINC001164639110 719278561 /nfs/dbraw/zinc/27/85/61/719278561.db2.gz HMRKAXQLNSCXDZ-UHFFFAOYSA-N 2 2 407.946 1.140 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001164704423 719865397 /nfs/dbraw/zinc/86/53/97/719865397.db2.gz LXIKTTOUGXJPDG-JLTOFOAXSA-N 2 2 408.930 1.613 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164701322 719878219 /nfs/dbraw/zinc/87/82/19/719878219.db2.gz NCMSERXVBPUOER-SIKLNZKXSA-N 2 2 402.539 1.910 20 0 HDADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811777 720141679 /nfs/dbraw/zinc/14/16/79/720141679.db2.gz NGWQXACBCMJFLG-GCJKJVERSA-N 3 2 400.571 1.589 20 0 HDADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)C2 ZINC001164811777 720141695 /nfs/dbraw/zinc/14/16/95/720141695.db2.gz NGWQXACBCMJFLG-GCJKJVERSA-N 3 2 400.571 1.589 20 0 HDADLP Cc1c[nH+]c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1NC(C)C ZINC001164715039 720164134 /nfs/dbraw/zinc/16/41/34/720164134.db2.gz SFZJCMIEAFBEJL-GOSISDBHSA-N 2 2 414.558 1.950 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001164825448 720331187 /nfs/dbraw/zinc/33/11/87/720331187.db2.gz FEJKQLIXUAHDNY-SFTDATJTSA-N 3 2 412.582 1.403 20 0 HDADLP CN(C)c1cc[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164825603 720451876 /nfs/dbraw/zinc/45/18/76/720451876.db2.gz SOWGPANSVMNSRI-KRWDZBQOSA-N 2 2 400.527 1.334 20 0 HDADLP Cc1cnc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c(C[NH3+])c1 ZINC001164828726 720465790 /nfs/dbraw/zinc/46/57/90/720465790.db2.gz AGXDDBOBPRWUTJ-GOSISDBHSA-N 2 2 400.527 1.035 20 0 HDADLP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164836797 720567929 /nfs/dbraw/zinc/56/79/29/720567929.db2.gz KYFGBRRLUWGDHY-AABGKKOBSA-N 2 2 411.554 1.888 20 0 HDADLP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]21 ZINC001164836797 720567937 /nfs/dbraw/zinc/56/79/37/720567937.db2.gz KYFGBRRLUWGDHY-AABGKKOBSA-N 2 2 411.554 1.888 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4[C@H](C3)OCC(=O)N4c3cccc(F)c3)[nH+]2)CC1 ZINC001164885704 721365010 /nfs/dbraw/zinc/36/50/10/721365010.db2.gz YOFJYDONSRTHAU-MOPGFXCFSA-N 2 2 411.481 1.593 20 0 HDADLP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894049 721382006 /nfs/dbraw/zinc/38/20/06/721382006.db2.gz WPAGAHCUNYSTTB-IERDGZPVSA-N 2 2 420.989 1.541 20 0 HDADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891882 721390661 /nfs/dbraw/zinc/39/06/61/721390661.db2.gz RDGMGZPKJVDBAZ-HRAATJIYSA-N 2 2 420.989 1.541 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164801321 721530382 /nfs/dbraw/zinc/53/03/82/721530382.db2.gz DXJVDYGSFKGSGU-JTAQYXEDSA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CCCO[C@H]12 ZINC001164801321 721530385 /nfs/dbraw/zinc/53/03/85/721530385.db2.gz DXJVDYGSFKGSGU-JTAQYXEDSA-N 2 2 423.565 1.492 20 0 HDADLP Clc1[nH][nH+]c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ncnc1-2 ZINC001164916012 721788643 /nfs/dbraw/zinc/78/86/43/721788643.db2.gz NLHUROUEJGQKCG-IBGZPJMESA-N 2 2 415.885 1.509 20 0 HDADLP Clc1[nH][nH+]c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ncnc1-2 ZINC001164916012 721788645 /nfs/dbraw/zinc/78/86/45/721788645.db2.gz NLHUROUEJGQKCG-IBGZPJMESA-N 2 2 415.885 1.509 20 0 HDADLP Clc1[nH][nH+]c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ncnc1-2 ZINC001164916013 721788876 /nfs/dbraw/zinc/78/88/76/721788876.db2.gz NLHUROUEJGQKCG-LJQANCHMSA-N 2 2 415.885 1.509 20 0 HDADLP Clc1[nH][nH+]c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ncnc1-2 ZINC001164916013 721788880 /nfs/dbraw/zinc/78/88/80/721788880.db2.gz NLHUROUEJGQKCG-LJQANCHMSA-N 2 2 415.885 1.509 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(COCc4ccccn4)C3)[nH+]2)CC1 ZINC001164925206 721839635 /nfs/dbraw/zinc/83/96/35/721839635.db2.gz ODBAICLACRAQAC-WMZHIEFXSA-N 2 2 409.534 1.898 20 0 HDADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2)ccn1 ZINC001164961906 722052905 /nfs/dbraw/zinc/05/29/05/722052905.db2.gz XZWYMEYBNJPEIK-UHFFFAOYSA-N 2 2 424.549 1.827 20 0 HDADLP c1cc(C[N@H+]2CCOCC3(CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)C2)ccn1 ZINC001164961906 722052906 /nfs/dbraw/zinc/05/29/06/722052906.db2.gz XZWYMEYBNJPEIK-UHFFFAOYSA-N 2 2 424.549 1.827 20 0 HDADLP CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001164972026 722080674 /nfs/dbraw/zinc/08/06/74/722080674.db2.gz XSNGNWJKHLFFKM-HKBOAZHASA-N 2 2 423.565 1.546 20 0 HDADLP CCOC[C@@H]1C(=O)N(CC)CC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164992055 722187571 /nfs/dbraw/zinc/18/75/71/722187571.db2.gz RNGRFDGIVXYACG-LJQANCHMSA-N 2 2 415.582 1.935 20 0 HDADLP C[NH+]1CCN(Cc2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2)CC1 ZINC000673646743 1073531768 /nfs/dbraw/zinc/53/17/68/1073531768.db2.gz URHBQLJSCLVKMJ-UHFFFAOYSA-N 3 2 408.550 1.833 20 0 HDADLP CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668859 1073623191 /nfs/dbraw/zinc/62/31/91/1073623191.db2.gz BFRLDPVITNZQCO-UYAOXDASSA-N 2 2 412.534 1.132 20 0 HDADLP CN(C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668859 1073623193 /nfs/dbraw/zinc/62/31/93/1073623193.db2.gz BFRLDPVITNZQCO-UYAOXDASSA-N 2 2 412.534 1.132 20 0 HDADLP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000673757442 1073692274 /nfs/dbraw/zinc/69/22/74/1073692274.db2.gz QFELFDYOUALJCL-HXUWFJFHSA-N 2 2 402.583 1.810 20 0 HDADLP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000673757442 1073692282 /nfs/dbraw/zinc/69/22/82/1073692282.db2.gz QFELFDYOUALJCL-HXUWFJFHSA-N 2 2 402.583 1.810 20 0 HDADLP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)c2C1 ZINC000673785731 1073730512 /nfs/dbraw/zinc/73/05/12/1073730512.db2.gz YBLWTRQBAKJBAG-SFHVURJKSA-N 2 2 400.523 1.674 20 0 HDADLP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)c2C1 ZINC000673785731 1073730517 /nfs/dbraw/zinc/73/05/17/1073730517.db2.gz YBLWTRQBAKJBAG-SFHVURJKSA-N 2 2 400.523 1.674 20 0 HDADLP O=C(CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000673809329 1073762029 /nfs/dbraw/zinc/76/20/29/1073762029.db2.gz AFEOSGWKRSLRLQ-UHFFFAOYSA-N 2 2 420.477 1.523 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cn1 ZINC000673870138 1073835802 /nfs/dbraw/zinc/83/58/02/1073835802.db2.gz IGRGEPOXZJVGRJ-UHFFFAOYSA-N 2 2 413.526 1.669 20 0 HDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674397629 1074311024 /nfs/dbraw/zinc/31/10/24/1074311024.db2.gz HAWHOXNTKSPJAR-SFTDATJTSA-N 2 2 404.555 1.548 20 0 HDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668308 1074518902 /nfs/dbraw/zinc/51/89/02/1074518902.db2.gz XPPNICPOZVMTCB-QFBILLFUSA-N 2 2 407.580 1.821 20 0 HDADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668308 1074518909 /nfs/dbraw/zinc/51/89/09/1074518909.db2.gz XPPNICPOZVMTCB-QFBILLFUSA-N 2 2 407.580 1.821 20 0 HDADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc2)CC1 ZINC000674745079 1074545852 /nfs/dbraw/zinc/54/58/52/1074545852.db2.gz VMWCHGUDURYBIF-FQEVSTJZSA-N 2 2 417.554 1.385 20 0 HDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000477031226 1074729786 /nfs/dbraw/zinc/72/97/86/1074729786.db2.gz GXZMJPJZDQPUBX-QGZVFWFLSA-N 2 2 417.554 1.052 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000675190059 1074752051 /nfs/dbraw/zinc/75/20/51/1074752051.db2.gz HEPUWKHZTDVLPR-SFHVURJKSA-N 2 2 402.539 1.858 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000675190059 1074752058 /nfs/dbraw/zinc/75/20/58/1074752058.db2.gz HEPUWKHZTDVLPR-SFHVURJKSA-N 2 2 402.539 1.858 20 0 HDADLP CN(c1ccccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000675345486 1074810237 /nfs/dbraw/zinc/81/02/37/1074810237.db2.gz VGOQUBKTBDGUCL-JOCHJYFZSA-N 3 2 415.626 1.713 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000429248037 1075094077 /nfs/dbraw/zinc/09/40/77/1075094077.db2.gz LPUSGXPCNONLGK-UHFFFAOYSA-N 2 2 407.540 1.752 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1C ZINC000429248037 1075094079 /nfs/dbraw/zinc/09/40/79/1075094079.db2.gz LPUSGXPCNONLGK-UHFFFAOYSA-N 2 2 407.540 1.752 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448361197 1075187712 /nfs/dbraw/zinc/18/77/12/1075187712.db2.gz FZXOJKCGLSQMIL-PKOBYXMFSA-N 2 2 402.543 1.696 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448361197 1075187715 /nfs/dbraw/zinc/18/77/15/1075187715.db2.gz FZXOJKCGLSQMIL-PKOBYXMFSA-N 2 2 402.543 1.696 20 0 HDADLP COc1cc(OC)cc(OCCNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675650369 1075247389 /nfs/dbraw/zinc/24/73/89/1075247389.db2.gz BAKZUOUQEXNLMO-MRXNPFEDSA-N 2 2 406.527 1.550 20 0 HDADLP COc1cc(OC)cc(OCCNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675650369 1075247394 /nfs/dbraw/zinc/24/73/94/1075247394.db2.gz BAKZUOUQEXNLMO-MRXNPFEDSA-N 2 2 406.527 1.550 20 0 HDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675782469 1075270916 /nfs/dbraw/zinc/27/09/16/1075270916.db2.gz UKAHJMJTYKJTNV-KRWDZBQOSA-N 2 2 408.568 1.286 20 0 HDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000675887150 1075289570 /nfs/dbraw/zinc/28/95/70/1075289570.db2.gz YFXLNXSFESWXPY-IAGOWNOFSA-N 2 2 404.946 1.978 20 0 HDADLP COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000675995355 1075319800 /nfs/dbraw/zinc/31/98/00/1075319800.db2.gz PYXZQRCJGGBGMF-LJQANCHMSA-N 2 2 402.539 1.886 20 0 HDADLP COc1cccc(OCC[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000675995355 1075319807 /nfs/dbraw/zinc/31/98/07/1075319807.db2.gz PYXZQRCJGGBGMF-LJQANCHMSA-N 2 2 402.539 1.886 20 0 HDADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676091935 1075375885 /nfs/dbraw/zinc/37/58/85/1075375885.db2.gz OTZQUPSSFAOAEL-UHFFFAOYSA-N 2 2 420.473 1.354 20 0 HDADLP C[C@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000676110613 1075385666 /nfs/dbraw/zinc/38/56/66/1075385666.db2.gz HHSWKRHXGXTJHM-GOSISDBHSA-N 2 2 401.555 1.272 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676242748 1075444624 /nfs/dbraw/zinc/44/46/24/1075444624.db2.gz AOQNBYVBRZWAHL-GHTZIAJQSA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676242748 1075444633 /nfs/dbraw/zinc/44/46/33/1075444633.db2.gz AOQNBYVBRZWAHL-GHTZIAJQSA-N 2 2 403.571 1.342 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccs1 ZINC000731686390 1075446172 /nfs/dbraw/zinc/44/61/72/1075446172.db2.gz ULNMEGMIOQUJFZ-HNNXBMFYSA-N 2 2 402.586 1.159 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676263493 1075462843 /nfs/dbraw/zinc/46/28/43/1075462843.db2.gz DDNHVXVELUNYSA-OXQOHEQNSA-N 2 2 405.543 1.678 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676263493 1075462848 /nfs/dbraw/zinc/46/28/48/1075462848.db2.gz DDNHVXVELUNYSA-OXQOHEQNSA-N 2 2 405.543 1.678 20 0 HDADLP CC1CC[NH+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731681460 1075463233 /nfs/dbraw/zinc/46/32/33/1075463233.db2.gz BILXDJCNLWUWSG-UHFFFAOYSA-N 2 2 402.605 1.307 20 0 HDADLP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CC(=O)N(c4ccccc4F)C3=O)CC2)CC1 ZINC000543664924 1075463815 /nfs/dbraw/zinc/46/38/15/1075463815.db2.gz VSKHDMKCXYYBHL-LJQANCHMSA-N 2 2 402.514 1.807 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676265690 1075464388 /nfs/dbraw/zinc/46/43/88/1075464388.db2.gz XYRNEASRUGDZJS-PXNSSMCTSA-N 2 2 417.554 1.234 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676265690 1075464390 /nfs/dbraw/zinc/46/43/90/1075464390.db2.gz XYRNEASRUGDZJS-PXNSSMCTSA-N 2 2 417.554 1.234 20 0 HDADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683872 1075468301 /nfs/dbraw/zinc/46/83/01/1075468301.db2.gz KVRMOHOHSQDQBX-INIZCTEOSA-N 2 2 402.605 1.305 20 0 HDADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683872 1075468302 /nfs/dbraw/zinc/46/83/02/1075468302.db2.gz KVRMOHOHSQDQBX-INIZCTEOSA-N 2 2 402.605 1.305 20 0 HDADLP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccco1 ZINC000731758508 1075513118 /nfs/dbraw/zinc/51/31/18/1075513118.db2.gz HWHMGFQGMKPGSM-KRWDZBQOSA-N 2 2 414.572 1.471 20 0 HDADLP CC[C@@H](C)Oc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OC ZINC000676417389 1075548675 /nfs/dbraw/zinc/54/86/75/1075548675.db2.gz BTUIHJACYTXDCG-IEBWSBKVSA-N 2 2 405.539 1.895 20 0 HDADLP O=C1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CN1CC[NH+]1CCOCC1 ZINC000676419597 1075549850 /nfs/dbraw/zinc/54/98/50/1075549850.db2.gz VVQSQCRAACEMSH-OAQYLSRUSA-N 3 2 416.566 1.184 20 0 HDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000732247288 1075680304 /nfs/dbraw/zinc/68/03/04/1075680304.db2.gz DDGGEMWWYIZQDZ-QGZVFWFLSA-N 2 2 416.632 1.695 20 0 HDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000732247288 1075680309 /nfs/dbraw/zinc/68/03/09/1075680309.db2.gz DDGGEMWWYIZQDZ-QGZVFWFLSA-N 2 2 416.632 1.695 20 0 HDADLP C[NH+]1CCC(CNC(=O)Nc2nc3cc(Cl)ccn3n2)([NH+]2CCCCC2)CC1 ZINC000562093058 1075776901 /nfs/dbraw/zinc/77/69/01/1075776901.db2.gz UWCVLNGVVBYANS-UHFFFAOYSA-N 2 2 405.934 2.455 20 0 HDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000671768933 1075779006 /nfs/dbraw/zinc/77/90/06/1075779006.db2.gz IHKWPHSGTUJMHC-BPIHKTFHSA-N 2 2 422.595 1.671 20 0 HDADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000671768933 1075779010 /nfs/dbraw/zinc/77/90/10/1075779010.db2.gz IHKWPHSGTUJMHC-BPIHKTFHSA-N 2 2 422.595 1.671 20 0 HDADLP CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558568 1075786140 /nfs/dbraw/zinc/78/61/40/1075786140.db2.gz BRQMOSSTDGVUPO-NSDNCLLMSA-N 2 2 420.579 1.698 20 0 HDADLP CN(C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558568 1075786144 /nfs/dbraw/zinc/78/61/44/1075786144.db2.gz BRQMOSSTDGVUPO-NSDNCLLMSA-N 2 2 420.579 1.698 20 0 HDADLP CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565386 1075789924 /nfs/dbraw/zinc/78/99/24/1075789924.db2.gz XYFHFYRHOVGCFO-OLRZZNLISA-N 2 2 408.612 1.871 20 0 HDADLP CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565386 1075789928 /nfs/dbraw/zinc/78/99/28/1075789928.db2.gz XYFHFYRHOVGCFO-OLRZZNLISA-N 2 2 408.612 1.871 20 0 HDADLP Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732780672 1075865323 /nfs/dbraw/zinc/86/53/23/1075865323.db2.gz LTXWYZOETVSJFB-ACRNLXFHSA-N 2 2 413.501 1.403 20 0 HDADLP Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732780672 1075865325 /nfs/dbraw/zinc/86/53/25/1075865325.db2.gz LTXWYZOETVSJFB-ACRNLXFHSA-N 2 2 413.501 1.403 20 0 HDADLP Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732780674 1075865549 /nfs/dbraw/zinc/86/55/49/1075865549.db2.gz LTXWYZOETVSJFB-JZQBQCRLSA-N 2 2 413.501 1.403 20 0 HDADLP Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732780674 1075865554 /nfs/dbraw/zinc/86/55/54/1075865554.db2.gz LTXWYZOETVSJFB-JZQBQCRLSA-N 2 2 413.501 1.403 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1 ZINC000732780708 1075865805 /nfs/dbraw/zinc/86/58/05/1075865805.db2.gz MGWSQCQNFHZEGJ-QGZVFWFLSA-N 2 2 400.523 1.477 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(=O)N3CCOc4ccccc43)C2)CC1 ZINC000732780708 1075865809 /nfs/dbraw/zinc/86/58/09/1075865809.db2.gz MGWSQCQNFHZEGJ-QGZVFWFLSA-N 2 2 400.523 1.477 20 0 HDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000611181122 1075867914 /nfs/dbraw/zinc/86/79/14/1075867914.db2.gz LCCXKBUFZHFJOJ-AZUAARDMSA-N 2 2 407.603 1.881 20 0 HDADLP COC(=O)c1csc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000611457529 1075938882 /nfs/dbraw/zinc/93/88/82/1075938882.db2.gz AMBUKMDJLODAQV-UHFFFAOYSA-N 2 2 422.551 1.456 20 0 HDADLP CC(C)OC(=O)N1CCC(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000732995769 1075942999 /nfs/dbraw/zinc/94/29/99/1075942999.db2.gz SDFXQSVWXVAQAQ-UHFFFAOYSA-N 2 2 409.575 1.854 20 0 HDADLP Cc1nc(CCC(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)cs1 ZINC000733151692 1075987088 /nfs/dbraw/zinc/98/70/88/1075987088.db2.gz KYRXEAJKPQSQLT-UHFFFAOYSA-N 2 2 407.584 1.081 20 0 HDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@@H](c4ccccn4)CC3=O)CC2)CC1 ZINC000733299502 1076032802 /nfs/dbraw/zinc/03/28/02/1076032802.db2.gz MGWUFICZMHWNLV-FQEVSTJZSA-N 2 2 413.566 1.621 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000536035057 1076254282 /nfs/dbraw/zinc/25/42/82/1076254282.db2.gz FJQULPBZWPPKCU-PMACEKPBSA-N 2 2 400.523 1.003 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000536035057 1076254288 /nfs/dbraw/zinc/25/42/88/1076254288.db2.gz FJQULPBZWPPKCU-PMACEKPBSA-N 2 2 400.523 1.003 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)CC2)CC1 ZINC000727801146 1076258741 /nfs/dbraw/zinc/25/87/41/1076258741.db2.gz FBGLLJYCUMZLSU-MRXNPFEDSA-N 2 2 420.476 1.825 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)CC4CC4)C3)[nH+]2)CC1 ZINC001164654805 719325494 /nfs/dbraw/zinc/32/54/94/719325494.db2.gz MYWSFLFSNPQKPK-YDHSSHFGSA-N 2 2 413.566 1.734 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164705725 719871706 /nfs/dbraw/zinc/87/17/06/719871706.db2.gz OCWRWKKGYPETHG-DENIHFKCSA-N 2 2 402.539 1.909 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001164705725 719871710 /nfs/dbraw/zinc/87/17/10/719871710.db2.gz OCWRWKKGYPETHG-DENIHFKCSA-N 2 2 402.539 1.909 20 0 HDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C[NH+]3CCCC3)cn1)CC2 ZINC001164708752 719921385 /nfs/dbraw/zinc/92/13/85/719921385.db2.gz OQGUJHFOGDPIFC-UHFFFAOYSA-N 2 2 423.565 1.361 20 0 HDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164721485 720279310 /nfs/dbraw/zinc/27/93/10/720279310.db2.gz JWJGTZBCNKFCQH-OAQYLSRUSA-N 2 2 400.527 1.677 20 0 HDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164721485 720279320 /nfs/dbraw/zinc/27/93/20/720279320.db2.gz JWJGTZBCNKFCQH-OAQYLSRUSA-N 2 2 400.527 1.677 20 0 HDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001164832733 720476472 /nfs/dbraw/zinc/47/64/72/720476472.db2.gz WMJFNEQIACTLHX-LJQANCHMSA-N 2 2 414.554 1.329 20 0 HDADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164761633 721065318 /nfs/dbraw/zinc/06/53/18/721065318.db2.gz CGEXNYRSNPQVPO-SPEDKVCISA-N 2 2 424.549 1.338 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164768654 721094661 /nfs/dbraw/zinc/09/46/61/721094661.db2.gz OCAAOWAKKQTKPL-CVEARBPZSA-N 2 2 409.494 1.826 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164768654 721094666 /nfs/dbraw/zinc/09/46/66/721094666.db2.gz OCAAOWAKKQTKPL-CVEARBPZSA-N 2 2 409.494 1.826 20 0 HDADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164873606 721282798 /nfs/dbraw/zinc/28/27/98/721282798.db2.gz OXWSUQXIPWKPGO-UHFFFAOYSA-N 2 2 403.527 1.355 20 0 HDADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164873606 721282803 /nfs/dbraw/zinc/28/28/03/721282803.db2.gz OXWSUQXIPWKPGO-UHFFFAOYSA-N 2 2 403.527 1.355 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164882731 721350714 /nfs/dbraw/zinc/35/07/14/721350714.db2.gz HNWLDJXHXFMXDD-LEWJYISDSA-N 2 2 421.545 1.811 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)[nH+]2)CC1 ZINC001164885710 721365913 /nfs/dbraw/zinc/36/59/13/721365913.db2.gz YOFJYDONSRTHAU-RBUKOAKNSA-N 2 2 411.481 1.593 20 0 HDADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798348 721517152 /nfs/dbraw/zinc/51/71/52/721517152.db2.gz SECFOLCCIBOFIG-SNAWJCMRSA-N 2 2 410.522 1.540 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCCN(c5cnccn5)C4)C3)[nH+]2)CC1 ZINC001164902845 721580041 /nfs/dbraw/zinc/58/00/41/721580041.db2.gz JJEVPZOTJJCCNY-QFIPXVFZSA-N 2 2 409.538 1.499 20 0 HDADLP CCc1cc(N2CCCn3c(C[N@H+](C)C(C)C)nnc3C2)nc(N2CCOCC2)[nH+]1 ZINC001165009089 721709130 /nfs/dbraw/zinc/70/91/30/721709130.db2.gz PCQQLWUAENHMBM-UHFFFAOYSA-N 2 2 414.558 1.718 20 0 HDADLP CCc1cc(N2CCCn3c(C[N@@H+](C)C(C)C)nnc3C2)nc(N2CCOCC2)[nH+]1 ZINC001165009089 721709132 /nfs/dbraw/zinc/70/91/32/721709132.db2.gz PCQQLWUAENHMBM-UHFFFAOYSA-N 2 2 414.558 1.718 20 0 HDADLP COCCO[C@H]1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]1Cc1cnn(C)c1 ZINC001164998727 722223927 /nfs/dbraw/zinc/22/39/27/722223927.db2.gz DYVJUCCJJJYZNV-UXHICEINSA-N 2 2 414.554 1.420 20 0 HDADLP COc1c[nH+]c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1NC(C)C ZINC001164999806 722250226 /nfs/dbraw/zinc/25/02/26/722250226.db2.gz COJUHLYTWBRXOE-UHFFFAOYSA-N 2 2 403.531 1.991 20 0 HDADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872344 1073837948 /nfs/dbraw/zinc/83/79/48/1073837948.db2.gz FJGJIYBAYHGVHI-NRFANRHFSA-N 2 2 412.538 1.954 20 0 HDADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872344 1073837961 /nfs/dbraw/zinc/83/79/61/1073837961.db2.gz FJGJIYBAYHGVHI-NRFANRHFSA-N 2 2 412.538 1.954 20 0 HDADLP C[NH+](C)[C@@H](CC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC001626093539 1074074431 /nfs/dbraw/zinc/07/44/31/1074074431.db2.gz NGSMBFQJESVNMY-FQEVSTJZSA-N 2 2 409.534 1.930 20 0 HDADLP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674203065 1074217589 /nfs/dbraw/zinc/21/75/89/1074217589.db2.gz ZRDWUQAIMWVZSI-HXUWFJFHSA-N 2 2 411.506 1.560 20 0 HDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674202747 1074218122 /nfs/dbraw/zinc/21/81/22/1074218122.db2.gz DMRFYNSLXMRXQD-SFHVURJKSA-N 2 2 412.494 1.576 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000674324758 1074274404 /nfs/dbraw/zinc/27/44/04/1074274404.db2.gz XBPMELRGAITUCF-HXUWFJFHSA-N 2 2 415.582 1.789 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000674324758 1074274409 /nfs/dbraw/zinc/27/44/09/1074274409.db2.gz XBPMELRGAITUCF-HXUWFJFHSA-N 2 2 415.582 1.789 20 0 HDADLP CCn1nc2c(cc1=O)CN(C(=O)NCC1([NH+]3CCCCC3)CC[NH+](C)CC1)CC2 ZINC000674634695 1074490214 /nfs/dbraw/zinc/49/02/14/1074490214.db2.gz VBZGBIJXRFGOGA-UHFFFAOYSA-N 2 2 416.570 1.281 20 0 HDADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674669261 1074519785 /nfs/dbraw/zinc/51/97/85/1074519785.db2.gz LCHQBTLAEWDRGJ-INIZCTEOSA-N 2 2 407.580 1.868 20 0 HDADLP CCC(CC)[C@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000543614336 1074712909 /nfs/dbraw/zinc/71/29/09/1074712909.db2.gz AMBVGVWAULCVKR-IBGZPJMESA-N 2 2 404.559 1.957 20 0 HDADLP Cc1cc[nH+]c(N2CCN(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)CC2)c1 ZINC000543613813 1074731626 /nfs/dbraw/zinc/73/16/26/1074731626.db2.gz OHXGBBAMRULMIB-UHFFFAOYSA-N 2 2 423.521 1.527 20 0 HDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000507175995 1074802906 /nfs/dbraw/zinc/80/29/06/1074802906.db2.gz GCKDRBHTPMYBIE-UHFFFAOYSA-N 2 2 405.393 1.847 20 0 HDADLP CN(C(=O)C[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000041623624 1075118551 /nfs/dbraw/zinc/11/85/51/1075118551.db2.gz NCHUHNQFWIQXCM-UHFFFAOYSA-N 2 2 401.555 1.843 20 0 HDADLP CN(C(=O)C[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000041623624 1075118564 /nfs/dbraw/zinc/11/85/64/1075118564.db2.gz NCHUHNQFWIQXCM-UHFFFAOYSA-N 2 2 401.555 1.843 20 0 HDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000675781992 1075270887 /nfs/dbraw/zinc/27/08/87/1075270887.db2.gz JPKWQVBDVOYYCI-MRXNPFEDSA-N 2 2 420.535 1.183 20 0 HDADLP COc1c(C)c[nH+]c(CN(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1C ZINC000427347860 1075276749 /nfs/dbraw/zinc/27/67/49/1075276749.db2.gz RNRPQKHXXCVLBI-UHFFFAOYSA-N 2 2 414.510 1.767 20 0 HDADLP COc1cccc(OCC[NH+]2CCN(C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)c1 ZINC000675893270 1075287438 /nfs/dbraw/zinc/28/74/38/1075287438.db2.gz GZQJYSTWYGJMFL-UHFFFAOYSA-N 2 2 416.526 1.682 20 0 HDADLP COc1cc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000675885510 1075289046 /nfs/dbraw/zinc/28/90/46/1075289046.db2.gz CVVFVDQTELGTAI-FUHWJXTLSA-N 2 2 411.568 1.156 20 0 HDADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)c1 ZINC000507223300 1075344046 /nfs/dbraw/zinc/34/40/46/1075344046.db2.gz FYNQTJQSEIYPOQ-UHFFFAOYSA-N 2 2 404.474 1.859 20 0 HDADLP C[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000676088520 1075371444 /nfs/dbraw/zinc/37/14/44/1075371444.db2.gz BAZREVBQWKBNJL-MRXNPFEDSA-N 2 2 404.474 1.769 20 0 HDADLP C[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@H+]1CCc2ccccc2C1 ZINC000676088520 1075371448 /nfs/dbraw/zinc/37/14/48/1075371448.db2.gz BAZREVBQWKBNJL-MRXNPFEDSA-N 2 2 404.474 1.769 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147483 1075398622 /nfs/dbraw/zinc/39/86/22/1075398622.db2.gz HLZYGIDFROQEPA-KSFYIVLOSA-N 2 2 419.570 1.162 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147483 1075398628 /nfs/dbraw/zinc/39/86/28/1075398628.db2.gz HLZYGIDFROQEPA-KSFYIVLOSA-N 2 2 419.570 1.162 20 0 HDADLP CC[C@@H](C)n1nc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000538379662 1075441770 /nfs/dbraw/zinc/44/17/70/1075441770.db2.gz FLUOKCURAMALLP-OAHLLOKOSA-N 2 2 404.559 1.776 20 0 HDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731681149 1075463704 /nfs/dbraw/zinc/46/37/04/1075463704.db2.gz KZMLRBQLWNJUGB-IAGOWNOFSA-N 2 2 402.605 1.163 20 0 HDADLP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC000731683490 1075465517 /nfs/dbraw/zinc/46/55/17/1075465517.db2.gz BCXPSXINQHXZAT-LJQANCHMSA-N 2 2 410.584 1.406 20 0 HDADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685306 1075469178 /nfs/dbraw/zinc/46/91/78/1075469178.db2.gz XFLPCZKDBUZSHM-SFHVURJKSA-N 2 2 402.605 1.449 20 0 HDADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685306 1075469180 /nfs/dbraw/zinc/46/91/80/1075469180.db2.gz XFLPCZKDBUZSHM-SFHVURJKSA-N 2 2 402.605 1.449 20 0 HDADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731755737 1075512598 /nfs/dbraw/zinc/51/25/98/1075512598.db2.gz BIBUZKZAVWLZSI-BRWVUGGUSA-N 2 2 402.605 1.161 20 0 HDADLP CC[C@H](C)Oc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OC ZINC000676417388 1075548733 /nfs/dbraw/zinc/54/87/33/1075548733.db2.gz BTUIHJACYTXDCG-HKUYNNGSSA-N 2 2 405.539 1.895 20 0 HDADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167603 1075587126 /nfs/dbraw/zinc/58/71/26/1075587126.db2.gz QGFXMDZOUDCBRC-GJZGRUSLSA-N 2 2 415.563 1.758 20 0 HDADLP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167603 1075587132 /nfs/dbraw/zinc/58/71/32/1075587132.db2.gz QGFXMDZOUDCBRC-GJZGRUSLSA-N 2 2 415.563 1.758 20 0 HDADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167604 1075587159 /nfs/dbraw/zinc/58/71/59/1075587159.db2.gz QGFXMDZOUDCBRC-HUUCEWRRSA-N 2 2 415.563 1.758 20 0 HDADLP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167604 1075587164 /nfs/dbraw/zinc/58/71/64/1075587164.db2.gz QGFXMDZOUDCBRC-HUUCEWRRSA-N 2 2 415.563 1.758 20 0 HDADLP CC[NH+]1CCN(c2ccc(CNc3nc(N)c4cc(OC)c(OC)cc4[nH+]3)cn2)CC1 ZINC000599510341 1075628069 /nfs/dbraw/zinc/62/80/69/1075628069.db2.gz NQTBCUDXHRGUOD-UHFFFAOYSA-N 2 2 423.521 1.800 20 0 HDADLP O=C(C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000732211930 1075668129 /nfs/dbraw/zinc/66/81/29/1075668129.db2.gz JFLAHOMJYFJOBZ-HXUWFJFHSA-N 2 2 420.598 1.615 20 0 HDADLP O=C(C[N@H+]1CCCC[C@@H]1CN1CCCC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000732211930 1075668131 /nfs/dbraw/zinc/66/81/31/1075668131.db2.gz JFLAHOMJYFJOBZ-HXUWFJFHSA-N 2 2 420.598 1.615 20 0 HDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509443090 1075738473 /nfs/dbraw/zinc/73/84/73/1075738473.db2.gz XDRUJBLWINONRZ-UFYCRDLUSA-N 2 2 415.582 1.254 20 0 HDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509443090 1075738477 /nfs/dbraw/zinc/73/84/77/1075738477.db2.gz XDRUJBLWINONRZ-UFYCRDLUSA-N 2 2 415.582 1.254 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559548 1075786986 /nfs/dbraw/zinc/78/69/86/1075786986.db2.gz NWYDZPYXZBLDHS-JKSUJKDBSA-N 2 2 420.476 1.777 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559548 1075786990 /nfs/dbraw/zinc/78/69/90/1075786990.db2.gz NWYDZPYXZBLDHS-JKSUJKDBSA-N 2 2 420.476 1.777 20 0 HDADLP CCN1C[C@@H](C[N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423724 1075787141 /nfs/dbraw/zinc/78/71/41/1075787141.db2.gz XUVUAIUBMLSINE-WOJBJXKFSA-N 2 2 418.582 1.679 20 0 HDADLP CCN1C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423724 1075787144 /nfs/dbraw/zinc/78/71/44/1075787144.db2.gz XUVUAIUBMLSINE-WOJBJXKFSA-N 2 2 418.582 1.679 20 0 HDADLP CCN1C[C@@H](C[NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423724 1075787147 /nfs/dbraw/zinc/78/71/47/1075787147.db2.gz XUVUAIUBMLSINE-WOJBJXKFSA-N 2 2 418.582 1.679 20 0 HDADLP CCN1C[C@@H](C[NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423724 1075787151 /nfs/dbraw/zinc/78/71/51/1075787151.db2.gz XUVUAIUBMLSINE-WOJBJXKFSA-N 2 2 418.582 1.679 20 0 HDADLP CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565104 1075789728 /nfs/dbraw/zinc/78/97/28/1075789728.db2.gz VRSHRKBHGPXWKI-CRAIPNDOSA-N 2 2 417.476 1.187 20 0 HDADLP CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565104 1075789732 /nfs/dbraw/zinc/78/97/32/1075789732.db2.gz VRSHRKBHGPXWKI-CRAIPNDOSA-N 2 2 417.476 1.187 20 0 HDADLP CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732779556 1075851543 /nfs/dbraw/zinc/85/15/43/1075851543.db2.gz WDOKONOCWKKALD-AWEZNQCLSA-N 2 2 412.531 1.022 20 0 HDADLP CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732779556 1075851548 /nfs/dbraw/zinc/85/15/48/1075851548.db2.gz WDOKONOCWKKALD-AWEZNQCLSA-N 2 2 412.531 1.022 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779229 1075863669 /nfs/dbraw/zinc/86/36/69/1075863669.db2.gz BDWCKHYFWNGKMO-XDXAGZTOSA-N 2 2 412.538 1.603 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779229 1075863674 /nfs/dbraw/zinc/86/36/74/1075863674.db2.gz BDWCKHYFWNGKMO-XDXAGZTOSA-N 2 2 412.538 1.603 20 0 HDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC(=O)N[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000611181125 1075868228 /nfs/dbraw/zinc/86/82/28/1075868228.db2.gz LCCXKBUFZHFJOJ-UYAOXDASSA-N 2 2 407.603 1.881 20 0 HDADLP COc1ccc(NC(=O)NC(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000611180969 1075868283 /nfs/dbraw/zinc/86/82/83/1075868283.db2.gz NEDFEVLIDPRQHJ-UHFFFAOYSA-N 2 2 417.554 1.834 20 0 HDADLP c1c(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nnn1-c1ccccc1 ZINC000732915209 1075912314 /nfs/dbraw/zinc/91/23/14/1075912314.db2.gz YOVKUZXUYOKUAE-GOSISDBHSA-N 2 2 420.521 1.653 20 0 HDADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732917117 1075913690 /nfs/dbraw/zinc/91/36/90/1075913690.db2.gz YCBKAMNTNPJMQT-LJQANCHMSA-N 2 2 416.570 1.664 20 0 HDADLP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732917117 1075913692 /nfs/dbraw/zinc/91/36/92/1075913692.db2.gz YCBKAMNTNPJMQT-LJQANCHMSA-N 2 2 416.570 1.664 20 0 HDADLP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648369 1076140152 /nfs/dbraw/zinc/14/01/52/1076140152.db2.gz IFEHMSWIEPFXJA-RTWAWAEBSA-N 2 2 417.554 1.179 20 0 HDADLP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000733648369 1076140159 /nfs/dbraw/zinc/14/01/59/1076140159.db2.gz IFEHMSWIEPFXJA-RTWAWAEBSA-N 2 2 417.554 1.179 20 0 HDADLP C[NH+]1CCN(C[C@@H](NC(=S)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000727702922 1076210286 /nfs/dbraw/zinc/21/02/86/1076210286.db2.gz GESYWXVTPVWITQ-HXUWFJFHSA-N 2 2 405.612 1.162 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000536035087 1076254623 /nfs/dbraw/zinc/25/46/23/1076254623.db2.gz FJQULPBZWPPKCU-VQTJNVASSA-N 2 2 400.523 1.003 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000536035087 1076254625 /nfs/dbraw/zinc/25/46/25/1076254625.db2.gz FJQULPBZWPPKCU-VQTJNVASSA-N 2 2 400.523 1.003 20 0 HDADLP C[C@H](Cc1ccc(F)cc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980183 1076405150 /nfs/dbraw/zinc/40/51/50/1076405150.db2.gz LLDAHWPNLVQYQI-GOSISDBHSA-N 2 2 418.557 1.701 20 0 HDADLP Cc1cc(NC(=O)CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)no1 ZINC000731027865 1076713343 /nfs/dbraw/zinc/71/33/43/1076713343.db2.gz ATBPPGLMWSCZAD-UHFFFAOYSA-N 2 2 400.483 1.628 20 0 HDADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164618197 719013123 /nfs/dbraw/zinc/01/31/23/719013123.db2.gz QSFFFCNZFQJUIY-JRGCBEDISA-N 2 2 407.518 1.765 20 0 HDADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164618197 719013130 /nfs/dbraw/zinc/01/31/30/719013130.db2.gz QSFFFCNZFQJUIY-JRGCBEDISA-N 2 2 407.518 1.765 20 0 HDADLP COCCN1CC[N@H+](C)C2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)C1=O ZINC001164639156 719279748 /nfs/dbraw/zinc/27/97/48/719279748.db2.gz IRIKPBBSJQLNDE-UHFFFAOYSA-N 2 2 401.555 1.437 20 0 HDADLP COCCN1CC[N@@H+](C)C2(CCN(c3ccc(C[NH+]4CCCC4)cn3)CC2)C1=O ZINC001164639156 719279755 /nfs/dbraw/zinc/27/97/55/719279755.db2.gz IRIKPBBSJQLNDE-UHFFFAOYSA-N 2 2 401.555 1.437 20 0 HDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001164832728 720476578 /nfs/dbraw/zinc/47/65/78/720476578.db2.gz WMJFNEQIACTLHX-IBGZPJMESA-N 2 2 414.554 1.329 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@@H]4C3)[nH+]2)CC1 ZINC001164793723 721481552 /nfs/dbraw/zinc/48/15/52/721481552.db2.gz YCEITZJXZZCURX-QYZOEREBSA-N 2 2 415.538 1.229 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(COc4ncccc4F)C3)[nH+]2)CC1 ZINC001164791689 721487254 /nfs/dbraw/zinc/48/72/54/721487254.db2.gz DUFTYYSNQLOSFV-HTAPYJJXSA-N 2 2 413.497 1.899 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](c5ccncc5)C(=O)N4)CC3)[nH+]2)CC1 ZINC001164897362 721504547 /nfs/dbraw/zinc/50/45/47/721504547.db2.gz LIRBVSIERNAPBN-IBGZPJMESA-N 2 2 406.534 1.871 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807293 721565546 /nfs/dbraw/zinc/56/55/46/721565546.db2.gz SNIWRHFDOQXGIW-SFHLNBCPSA-N 2 2 410.522 1.576 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H]2CCCO[C@@H]12 ZINC001164807293 721565549 /nfs/dbraw/zinc/56/55/49/721565549.db2.gz SNIWRHFDOQXGIW-SFHLNBCPSA-N 2 2 410.522 1.576 20 0 HDADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1 ZINC001165009611 721741616 /nfs/dbraw/zinc/74/16/16/721741616.db2.gz GYKZSYVMPDBOPX-UHFFFAOYSA-N 3 2 400.571 1.356 20 0 HDADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC001165009611 721741618 /nfs/dbraw/zinc/74/16/18/721741618.db2.gz GYKZSYVMPDBOPX-UHFFFAOYSA-N 2 2 400.571 1.356 20 0 HDADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001164919128 721820644 /nfs/dbraw/zinc/82/06/44/721820644.db2.gz NBHUDHMRFVTDRF-UHFFFAOYSA-N 2 2 411.554 1.801 20 0 HDADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001164933279 721877386 /nfs/dbraw/zinc/87/73/86/721877386.db2.gz LJRULBRWNUTBAY-QZTJIDSGSA-N 2 2 400.575 1.287 20 0 HDADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000429053874 1073476660 /nfs/dbraw/zinc/47/66/60/1073476660.db2.gz NZQJSMRHHVLDLE-IBGZPJMESA-N 2 2 406.596 1.702 20 0 HDADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000429053874 1073476683 /nfs/dbraw/zinc/47/66/83/1073476683.db2.gz NZQJSMRHHVLDLE-IBGZPJMESA-N 2 2 406.596 1.702 20 0 HDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429056407 1073484680 /nfs/dbraw/zinc/48/46/80/1073484680.db2.gz XBAHAERPJUOWDK-OAQYLSRUSA-N 2 2 419.639 1.883 20 0 HDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429056407 1073484683 /nfs/dbraw/zinc/48/46/83/1073484683.db2.gz XBAHAERPJUOWDK-OAQYLSRUSA-N 2 2 419.639 1.883 20 0 HDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000429056407 1073484684 /nfs/dbraw/zinc/48/46/84/1073484684.db2.gz XBAHAERPJUOWDK-OAQYLSRUSA-N 2 2 419.639 1.883 20 0 HDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000429056407 1073484687 /nfs/dbraw/zinc/48/46/87/1073484687.db2.gz XBAHAERPJUOWDK-OAQYLSRUSA-N 2 2 419.639 1.883 20 0 HDADLP COc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Cn1cccn1 ZINC000766021439 1073658396 /nfs/dbraw/zinc/65/83/96/1073658396.db2.gz ABHROBOAITZNRS-SIKLNZKXSA-N 2 2 413.566 1.997 20 0 HDADLP COC(=O)C[C@@](C)([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccn1 ZINC000509139339 1073707822 /nfs/dbraw/zinc/70/78/22/1073707822.db2.gz NOWHBMYBBMNXQC-JOCHJYFZSA-N 2 2 411.506 1.583 20 0 HDADLP CCc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000673980609 1073972693 /nfs/dbraw/zinc/97/26/93/1073972693.db2.gz SNGKQFIFFBFMGX-LJQANCHMSA-N 2 2 415.586 1.476 20 0 HDADLP CCc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2)ncn1 ZINC000673980609 1073972695 /nfs/dbraw/zinc/97/26/95/1073972695.db2.gz SNGKQFIFFBFMGX-LJQANCHMSA-N 2 2 415.586 1.476 20 0 HDADLP C[N@H+](Cc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000543529011 1074009437 /nfs/dbraw/zinc/00/94/37/1074009437.db2.gz TXPFJTHJNWKRNJ-UHFFFAOYSA-N 2 2 402.539 1.526 20 0 HDADLP C[N@@H+](Cc1ccccc1NC(=O)C(=O)N1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000543529011 1074009449 /nfs/dbraw/zinc/00/94/49/1074009449.db2.gz TXPFJTHJNWKRNJ-UHFFFAOYSA-N 2 2 402.539 1.526 20 0 HDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000674049170 1074142986 /nfs/dbraw/zinc/14/29/86/1074142986.db2.gz KHFCOROIXNGBAP-ACIOBRDBSA-N 2 2 402.583 1.445 20 0 HDADLP Cc1cc(N2CCC(NC(=O)N3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)nc(C)[nH+]1 ZINC000674188054 1074203387 /nfs/dbraw/zinc/20/33/87/1074203387.db2.gz NMMUKYIRFCRAGD-RTBURBONSA-N 2 2 402.543 1.303 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274758 1074253848 /nfs/dbraw/zinc/25/38/48/1074253848.db2.gz ZCMZYSGSNNQYRA-APWZRJJASA-N 2 2 419.957 1.913 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274758 1074253851 /nfs/dbraw/zinc/25/38/51/1074253851.db2.gz ZCMZYSGSNNQYRA-APWZRJJASA-N 2 2 419.957 1.913 20 0 HDADLP COc1ccc(-c2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)[nH]n2)cc1OC ZINC000674360872 1074292126 /nfs/dbraw/zinc/29/21/26/1074292126.db2.gz YSRRUIMRNOKRSQ-MRXNPFEDSA-N 2 2 413.522 1.992 20 0 HDADLP COc1ccc(-c2cc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)[nH]n2)cc1OC ZINC000674360872 1074292132 /nfs/dbraw/zinc/29/21/32/1074292132.db2.gz YSRRUIMRNOKRSQ-MRXNPFEDSA-N 2 2 413.522 1.992 20 0 HDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000674395781 1074310225 /nfs/dbraw/zinc/31/02/25/1074310225.db2.gz FOKQLHXKURRDOR-RTWAWAEBSA-N 2 2 404.555 1.233 20 0 HDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000674395781 1074310232 /nfs/dbraw/zinc/31/02/32/1074310232.db2.gz FOKQLHXKURRDOR-RTWAWAEBSA-N 2 2 404.555 1.233 20 0 HDADLP Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674667566 1074512128 /nfs/dbraw/zinc/51/21/28/1074512128.db2.gz JNWCXVMPWXAHDX-INIZCTEOSA-N 2 2 412.556 1.079 20 0 HDADLP Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674667566 1074512135 /nfs/dbraw/zinc/51/21/35/1074512135.db2.gz JNWCXVMPWXAHDX-INIZCTEOSA-N 2 2 412.556 1.079 20 0 HDADLP Cc1oc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N(C)C ZINC000674685073 1074523300 /nfs/dbraw/zinc/52/33/00/1074523300.db2.gz RRNSXANDSVJXRC-INIZCTEOSA-N 2 2 412.556 1.079 20 0 HDADLP Cc1oc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N(C)C ZINC000674685073 1074523310 /nfs/dbraw/zinc/52/33/10/1074523310.db2.gz RRNSXANDSVJXRC-INIZCTEOSA-N 2 2 412.556 1.079 20 0 HDADLP CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670487736 1074637280 /nfs/dbraw/zinc/63/72/80/1074637280.db2.gz CLPGRRJYTQTMBT-LJQANCHMSA-N 2 2 411.550 1.454 20 0 HDADLP CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670487736 1074637286 /nfs/dbraw/zinc/63/72/86/1074637286.db2.gz CLPGRRJYTQTMBT-LJQANCHMSA-N 2 2 411.550 1.454 20 0 HDADLP C[NH+](C)[C@@]1(CNC(=O)Nc2ccnc(C(=O)N3CC[NH+](C)CC3)c2)CCSC1 ZINC000543617450 1074759025 /nfs/dbraw/zinc/75/90/25/1074759025.db2.gz VUTVVOWGQUIGQD-LJQANCHMSA-N 2 2 406.556 1.028 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000467926378 1075188141 /nfs/dbraw/zinc/18/81/41/1075188141.db2.gz GYKCVIZJRKWZGX-OYRHEFFESA-N 2 2 424.549 1.811 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000467926378 1075188144 /nfs/dbraw/zinc/18/81/44/1075188144.db2.gz GYKCVIZJRKWZGX-OYRHEFFESA-N 2 2 424.549 1.811 20 0 HDADLP Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559420 1075201089 /nfs/dbraw/zinc/20/10/89/1075201089.db2.gz IWVXFEAWXSQDRC-NVXWUHKLSA-N 2 2 423.583 1.670 20 0 HDADLP Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559420 1075201093 /nfs/dbraw/zinc/20/10/93/1075201093.db2.gz IWVXFEAWXSQDRC-NVXWUHKLSA-N 2 2 423.583 1.670 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605461 1075221164 /nfs/dbraw/zinc/22/11/64/1075221164.db2.gz MJBVEDAFZSSLSC-ICSRJNTNSA-N 2 2 414.550 1.624 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605461 1075221170 /nfs/dbraw/zinc/22/11/70/1075221170.db2.gz MJBVEDAFZSSLSC-ICSRJNTNSA-N 2 2 414.550 1.624 20 0 HDADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782723 1075270992 /nfs/dbraw/zinc/27/09/92/1075270992.db2.gz XLFIZOZPOTZIHB-ZDUSSCGKSA-N 2 2 402.417 1.666 20 0 HDADLP COc1cccc([C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821637 1075277639 /nfs/dbraw/zinc/27/76/39/1075277639.db2.gz KFLJGWAXUNGDSP-WIYYLYMNSA-N 2 2 402.539 1.947 20 0 HDADLP COc1cccc([C@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821637 1075277641 /nfs/dbraw/zinc/27/76/41/1075277641.db2.gz KFLJGWAXUNGDSP-WIYYLYMNSA-N 2 2 402.539 1.947 20 0 HDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000675886307 1075289474 /nfs/dbraw/zinc/28/94/74/1075289474.db2.gz QRTHJTRXQJBKBY-PXNSSMCTSA-N 2 2 410.584 1.505 20 0 HDADLP Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+](C)C ZINC000579872514 1075367271 /nfs/dbraw/zinc/36/72/71/1075367271.db2.gz BMGRYQILOTTWEM-RXVVDRJESA-N 2 2 414.554 2.337 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676243078 1075444159 /nfs/dbraw/zinc/44/41/59/1075444159.db2.gz HYBBFSXGEIBWHN-BMQTXXJKSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1C[NH+](C)CCO1 ZINC000676243078 1075444163 /nfs/dbraw/zinc/44/41/63/1075444163.db2.gz HYBBFSXGEIBWHN-BMQTXXJKSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676243078 1075444167 /nfs/dbraw/zinc/44/41/67/1075444167.db2.gz HYBBFSXGEIBWHN-BMQTXXJKSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243078 1075444171 /nfs/dbraw/zinc/44/41/71/1075444171.db2.gz HYBBFSXGEIBWHN-BMQTXXJKSA-N 2 2 404.555 1.814 20 0 HDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000676341673 1075515107 /nfs/dbraw/zinc/51/51/07/1075515107.db2.gz CHJZEFUSWSNFQL-FQEVSTJZSA-N 2 2 411.506 1.895 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000731761274 1075515308 /nfs/dbraw/zinc/51/53/08/1075515308.db2.gz BXJSBRIIBDLAHP-UHFFFAOYSA-N 2 2 414.616 1.403 20 0 HDADLP CC[C@H](C)Oc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1OC ZINC000676417391 1075548719 /nfs/dbraw/zinc/54/87/19/1075548719.db2.gz BTUIHJACYTXDCG-PKOBYXMFSA-N 2 2 405.539 1.895 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(F)c1 ZINC000605429805 1075748675 /nfs/dbraw/zinc/74/86/75/1075748675.db2.gz ZNFHBONRTIPPOY-SFHVURJKSA-N 2 2 404.490 1.779 20 0 HDADLP CN(C(=O)CN1c2ccccc2OCCC1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558958 1075785504 /nfs/dbraw/zinc/78/55/04/1075785504.db2.gz FLZBWPKEMHPYJV-SFHVURJKSA-N 2 2 400.523 1.429 20 0 HDADLP CN(C(=O)CN1c2ccccc2OCCC1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558958 1075785509 /nfs/dbraw/zinc/78/55/09/1075785509.db2.gz FLZBWPKEMHPYJV-SFHVURJKSA-N 2 2 400.523 1.429 20 0 HDADLP Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558580 1075786020 /nfs/dbraw/zinc/78/60/20/1075786020.db2.gz BSUKLYAVZOQAFN-LNKKFFRNSA-N 2 2 409.538 1.607 20 0 HDADLP Cc1nnnn1/C(=C/c1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558580 1075786025 /nfs/dbraw/zinc/78/60/25/1075786025.db2.gz BSUKLYAVZOQAFN-LNKKFFRNSA-N 2 2 409.538 1.607 20 0 HDADLP CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732561551 1075788406 /nfs/dbraw/zinc/78/84/06/1075788406.db2.gz ACMAHFCZHVYYIP-OAQYLSRUSA-N 2 2 413.566 1.561 20 0 HDADLP CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732561551 1075788409 /nfs/dbraw/zinc/78/84/09/1075788409.db2.gz ACMAHFCZHVYYIP-OAQYLSRUSA-N 2 2 413.566 1.561 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000611110082 1075846201 /nfs/dbraw/zinc/84/62/01/1075846201.db2.gz RCBLVWKICOCDBW-MSOLQXFVSA-N 2 2 403.589 1.538 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000611110082 1075846207 /nfs/dbraw/zinc/84/62/07/1075846207.db2.gz RCBLVWKICOCDBW-MSOLQXFVSA-N 2 2 403.589 1.538 20 0 HDADLP Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782368 1075866140 /nfs/dbraw/zinc/86/61/40/1075866140.db2.gz YAQYQFNDXKILDP-IRXDYDNUSA-N 2 2 402.514 1.772 20 0 HDADLP Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CC2=O)cc1F ZINC000732782368 1075866145 /nfs/dbraw/zinc/86/61/45/1075866145.db2.gz YAQYQFNDXKILDP-IRXDYDNUSA-N 2 2 402.514 1.772 20 0 HDADLP CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732781666 1075867001 /nfs/dbraw/zinc/86/70/01/1075867001.db2.gz RUEYKOLNDMDVID-ZDUSSCGKSA-N 2 2 414.959 1.146 20 0 HDADLP CNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732781666 1075867002 /nfs/dbraw/zinc/86/70/02/1075867002.db2.gz RUEYKOLNDMDVID-ZDUSSCGKSA-N 2 2 414.959 1.146 20 0 HDADLP CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000733163684 1075996663 /nfs/dbraw/zinc/99/66/63/1075996663.db2.gz GPIISXIXMZLLDX-UHFFFAOYSA-N 2 2 414.547 1.174 20 0 HDADLP CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000733163684 1075996664 /nfs/dbraw/zinc/99/66/64/1075996664.db2.gz GPIISXIXMZLLDX-UHFFFAOYSA-N 2 2 414.547 1.174 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000733164576 1075997301 /nfs/dbraw/zinc/99/73/01/1075997301.db2.gz XSGMEQZKAXIXGN-UHFFFAOYSA-N 2 2 401.555 1.418 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000733164576 1075997303 /nfs/dbraw/zinc/99/73/03/1075997303.db2.gz XSGMEQZKAXIXGN-UHFFFAOYSA-N 2 2 401.555 1.418 20 0 HDADLP COC[C@H]1CCC[N@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184911 1076012037 /nfs/dbraw/zinc/01/20/37/1076012037.db2.gz ZABMRXXMVCVTGD-UGKGYDQZSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@H]1CCC[N@@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184911 1076012043 /nfs/dbraw/zinc/01/20/43/1076012043.db2.gz ZABMRXXMVCVTGD-UGKGYDQZSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184911 1076012052 /nfs/dbraw/zinc/01/20/52/1076012052.db2.gz ZABMRXXMVCVTGD-UGKGYDQZSA-N 2 2 400.523 1.889 20 0 HDADLP COC[C@H]1CCC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000733184911 1076012059 /nfs/dbraw/zinc/01/20/59/1076012059.db2.gz ZABMRXXMVCVTGD-UGKGYDQZSA-N 2 2 400.523 1.889 20 0 HDADLP COC(=O)CC[N@H+](CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185378 1076012302 /nfs/dbraw/zinc/01/23/02/1076012302.db2.gz YWXPRMDFGNVREB-JOCHJYFZSA-N 2 2 416.522 1.804 20 0 HDADLP COC(=O)CC[N@@H+](CN1C(=O)N[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185378 1076012309 /nfs/dbraw/zinc/01/23/09/1076012309.db2.gz YWXPRMDFGNVREB-JOCHJYFZSA-N 2 2 416.522 1.804 20 0 HDADLP COC(=O)CC[NH+](CN1C(=O)N[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185378 1076012314 /nfs/dbraw/zinc/01/23/14/1076012314.db2.gz YWXPRMDFGNVREB-JOCHJYFZSA-N 2 2 416.522 1.804 20 0 HDADLP COC(=O)CC[NH+](CN1C(=O)N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O)C(C)C ZINC000733185378 1076012319 /nfs/dbraw/zinc/01/23/19/1076012319.db2.gz YWXPRMDFGNVREB-JOCHJYFZSA-N 2 2 416.522 1.804 20 0 HDADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)c2)CC1 ZINC000535312472 1076252600 /nfs/dbraw/zinc/25/26/00/1076252600.db2.gz CJNUSNMMELMQPU-JOCHJYFZSA-N 2 2 421.545 1.675 20 0 HDADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)c2)CC1 ZINC000535312472 1076252607 /nfs/dbraw/zinc/25/26/07/1076252607.db2.gz CJNUSNMMELMQPU-JOCHJYFZSA-N 2 2 421.545 1.675 20 0 HDADLP CN(C(=O)/C=C/c1ccccc1F)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980705 1076404776 /nfs/dbraw/zinc/40/47/76/1076404776.db2.gz SLVJYSNESBKBBB-BQYQJAHWSA-N 2 2 402.514 1.536 20 0 HDADLP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccccn2)cn1 ZINC000730681460 1076637302 /nfs/dbraw/zinc/63/73/02/1076637302.db2.gz IRMNLJNRYLMUJN-UHFFFAOYSA-N 2 2 407.478 1.500 20 0 HDADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)C2 ZINC001164416562 718884773 /nfs/dbraw/zinc/88/47/73/718884773.db2.gz ZNFYOCBPGXPAMG-UHFFFAOYSA-N 2 2 416.533 1.725 20 0 HDADLP c1nc2n(n1)C1(CC[NH2+]CC1)CN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)C2 ZINC001164416562 718884775 /nfs/dbraw/zinc/88/47/75/718884775.db2.gz ZNFYOCBPGXPAMG-UHFFFAOYSA-N 2 2 416.533 1.725 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@H]4C3)c12 ZINC001164851367 720843000 /nfs/dbraw/zinc/84/30/00/720843000.db2.gz GUOQMAJBVWJJFJ-ZBFHGGJFSA-N 2 2 403.483 1.308 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@H]4C3)c12 ZINC001164851367 720843002 /nfs/dbraw/zinc/84/30/02/720843002.db2.gz GUOQMAJBVWJJFJ-ZBFHGGJFSA-N 2 2 403.483 1.308 20 0 HDADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)C1 ZINC001164872938 721279021 /nfs/dbraw/zinc/27/90/21/721279021.db2.gz IQJUMQLCUOSNLI-UHFFFAOYSA-N 2 2 416.570 1.474 20 0 HDADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(N4CCCCC4)cc[nH+]3)CC2)C1 ZINC001164872938 721279026 /nfs/dbraw/zinc/27/90/26/721279026.db2.gz IQJUMQLCUOSNLI-UHFFFAOYSA-N 2 2 416.570 1.474 20 0 HDADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC001164875333 721283782 /nfs/dbraw/zinc/28/37/82/721283782.db2.gz VJSMIJHBZHADLO-UHFFFAOYSA-N 2 2 416.570 1.474 20 0 HDADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)C1 ZINC001164875333 721283784 /nfs/dbraw/zinc/28/37/84/721283784.db2.gz VJSMIJHBZHADLO-UHFFFAOYSA-N 2 2 416.570 1.474 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4OCC(=O)N(c5cccc(F)c5)[C@@H]4C3)[nH+]2)CC1 ZINC001164885713 721365993 /nfs/dbraw/zinc/36/59/93/721365993.db2.gz YOFJYDONSRTHAU-RTBURBONSA-N 2 2 411.481 1.593 20 0 HDADLP CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4[nH+]ccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883873 721414991 /nfs/dbraw/zinc/41/49/91/721414991.db2.gz CEBUCVMLHKAGRL-IIBYNOLFSA-N 2 2 401.511 1.178 20 0 HDADLP Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164807654 721606453 /nfs/dbraw/zinc/60/64/53/721606453.db2.gz WERYOQRYPSRJOY-QHCPKHFHSA-N 2 2 423.565 1.676 20 0 HDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164944940 721968805 /nfs/dbraw/zinc/96/88/05/721968805.db2.gz KOMVWHURGYXHFF-UHFFFAOYSA-N 2 2 406.534 1.136 20 0 HDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3c1CC[NH2+]CC3)CC2 ZINC001164944940 721968807 /nfs/dbraw/zinc/96/88/07/721968807.db2.gz KOMVWHURGYXHFF-UHFFFAOYSA-N 2 2 406.534 1.136 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978054 722130865 /nfs/dbraw/zinc/13/08/65/722130865.db2.gz JKLVGYDNZKTHPH-FPOVZHCZSA-N 3 2 423.565 1.526 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)n2)CC1 ZINC001164978054 722130869 /nfs/dbraw/zinc/13/08/69/722130869.db2.gz JKLVGYDNZKTHPH-FPOVZHCZSA-N 3 2 423.565 1.526 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000509109213 1073550343 /nfs/dbraw/zinc/55/03/43/1073550343.db2.gz IEOZOWLIHOKFPH-FQEVSTJZSA-N 2 2 404.555 1.101 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H](CCCO)c1ccccc1 ZINC000509109213 1073550355 /nfs/dbraw/zinc/55/03/55/1073550355.db2.gz IEOZOWLIHOKFPH-FQEVSTJZSA-N 2 2 404.555 1.101 20 0 HDADLP CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(F)c(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168740015 1073598177 /nfs/dbraw/zinc/59/81/77/1073598177.db2.gz ATRZPKYHJIYJOZ-KRWDZBQOSA-N 2 2 418.473 1.611 20 0 HDADLP C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673741356 1073674245 /nfs/dbraw/zinc/67/42/45/1073674245.db2.gz WMGCGALITNZKSD-RDJZCZTQSA-N 2 2 412.538 1.308 20 0 HDADLP C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673741356 1073674251 /nfs/dbraw/zinc/67/42/51/1073674251.db2.gz WMGCGALITNZKSD-RDJZCZTQSA-N 2 2 412.538 1.308 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1 ZINC000673741144 1073674408 /nfs/dbraw/zinc/67/44/08/1073674408.db2.gz RTPUTTATONVQAZ-IBGZPJMESA-N 2 2 416.570 1.230 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnn(CC(=O)NC4CCCCC4)c3)C2)CC1 ZINC000673741144 1073674411 /nfs/dbraw/zinc/67/44/11/1073674411.db2.gz RTPUTTATONVQAZ-IBGZPJMESA-N 2 2 416.570 1.230 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000673838476 1073812011 /nfs/dbraw/zinc/81/20/11/1073812011.db2.gz NSRMBYKCVPPLMV-INIZCTEOSA-N 2 2 403.918 1.278 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000673838476 1073812017 /nfs/dbraw/zinc/81/20/17/1073812017.db2.gz NSRMBYKCVPPLMV-INIZCTEOSA-N 2 2 403.918 1.278 20 0 HDADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861184 1073829688 /nfs/dbraw/zinc/82/96/88/1073829688.db2.gz CQGPJJJTHLMXCN-QGZVFWFLSA-N 2 2 406.494 1.995 20 0 HDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@H]1C[NH+](C3CC3)C[C@@H]1C)CC2 ZINC000466600204 1074064969 /nfs/dbraw/zinc/06/49/69/1074064969.db2.gz WTTYVKXYWHCVLU-KXBFYZLASA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@H]1C[NH+](C3CC3)C[C@@H]1C)CC2 ZINC000466600204 1074064973 /nfs/dbraw/zinc/06/49/73/1074064973.db2.gz WTTYVKXYWHCVLU-KXBFYZLASA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@H]1C[N@@H+](C3CC3)C[C@@H]1C)CC2 ZINC000466600204 1074064980 /nfs/dbraw/zinc/06/49/80/1074064980.db2.gz WTTYVKXYWHCVLU-KXBFYZLASA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2 ZINC000466600204 1074064984 /nfs/dbraw/zinc/06/49/84/1074064984.db2.gz WTTYVKXYWHCVLU-KXBFYZLASA-N 2 2 402.539 1.844 20 0 HDADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000674204267 1074220441 /nfs/dbraw/zinc/22/04/41/1074220441.db2.gz XZVLNUUHSVOYEL-FQEVSTJZSA-N 2 2 410.522 1.433 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1 ZINC000674274377 1074254333 /nfs/dbraw/zinc/25/43/33/1074254333.db2.gz OLDFMKBSYSCDRP-GHTZIAJQSA-N 2 2 408.587 1.915 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1 ZINC000674274377 1074254335 /nfs/dbraw/zinc/25/43/35/1074254335.db2.gz OLDFMKBSYSCDRP-GHTZIAJQSA-N 2 2 408.587 1.915 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1 ZINC000674274353 1074254432 /nfs/dbraw/zinc/25/44/32/1074254432.db2.gz NYOZUZFMOIUCGV-QGZVFWFLSA-N 2 2 407.509 1.965 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCN(c4cc(F)ccc4F)CC3)C2)CC1 ZINC000674274353 1074254434 /nfs/dbraw/zinc/25/44/34/1074254434.db2.gz NYOZUZFMOIUCGV-QGZVFWFLSA-N 2 2 407.509 1.965 20 0 HDADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000674278506 1074259878 /nfs/dbraw/zinc/25/98/78/1074259878.db2.gz JBAXEBJWSWGJBS-SFHVURJKSA-N 2 2 415.538 1.260 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000674326905 1074276282 /nfs/dbraw/zinc/27/62/82/1074276282.db2.gz HEJOIIKMIFQWPH-UHFFFAOYSA-N 2 2 415.582 1.928 20 0 HDADLP Cc1cc(N2CCN(C(=O)C[NH+]3CCC(OCCCO)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000674914007 1074613190 /nfs/dbraw/zinc/61/31/90/1074613190.db2.gz CJGLLKOKWJOXBB-UHFFFAOYSA-N 2 2 419.570 1.420 20 0 HDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675185152 1074751251 /nfs/dbraw/zinc/75/12/51/1074751251.db2.gz ZGFKPIVMRQWCDX-GOSISDBHSA-N 2 2 402.543 1.294 20 0 HDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000477109230 1075095814 /nfs/dbraw/zinc/09/58/14/1075095814.db2.gz SRXMXGQNDLVKER-QGZVFWFLSA-N 2 2 423.989 1.425 20 0 HDADLP O=C(CN1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000675498886 1075180087 /nfs/dbraw/zinc/18/00/87/1075180087.db2.gz XZIGAXALZFZBCV-UHFFFAOYSA-N 2 2 421.545 1.483 20 0 HDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000675499927 1075180417 /nfs/dbraw/zinc/18/04/17/1075180417.db2.gz URBLMCYEPLQOHV-UHFFFAOYSA-N 2 2 408.506 1.580 20 0 HDADLP Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559422 1075201133 /nfs/dbraw/zinc/20/11/33/1075201133.db2.gz IWVXFEAWXSQDRC-WBVHZDCISA-N 2 2 423.583 1.670 20 0 HDADLP Cc1cc(NC(=O)[C@@H](C)SCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559422 1075201136 /nfs/dbraw/zinc/20/11/36/1075201136.db2.gz IWVXFEAWXSQDRC-WBVHZDCISA-N 2 2 423.583 1.670 20 0 HDADLP Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559421 1075220522 /nfs/dbraw/zinc/22/05/22/1075220522.db2.gz IWVXFEAWXSQDRC-RDJZCZTQSA-N 2 2 423.583 1.670 20 0 HDADLP Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559421 1075220524 /nfs/dbraw/zinc/22/05/24/1075220524.db2.gz IWVXFEAWXSQDRC-RDJZCZTQSA-N 2 2 423.583 1.670 20 0 HDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000675782470 1075270901 /nfs/dbraw/zinc/27/09/01/1075270901.db2.gz UKAHJMJTYKJTNV-QGZVFWFLSA-N 2 2 408.568 1.286 20 0 HDADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000675887183 1075289732 /nfs/dbraw/zinc/28/97/32/1075289732.db2.gz YVJSQOIBULDLBM-QZTJIDSGSA-N 2 2 420.554 1.417 20 0 HDADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(OC)c1 ZINC000675887185 1075289811 /nfs/dbraw/zinc/28/98/11/1075289811.db2.gz YVJSQOIBULDLBM-ZWKOTPCHSA-N 2 2 420.554 1.417 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CN3C[C@H](c4cccc(F)c4)CC3=O)CC2)CC1 ZINC000731355614 1075319467 /nfs/dbraw/zinc/31/94/67/1075319467.db2.gz CMLFHBZYCIWXOW-HXUWFJFHSA-N 2 2 416.541 1.975 20 0 HDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000676097896 1075361252 /nfs/dbraw/zinc/36/12/52/1075361252.db2.gz TXMBMJJJSBYODO-GOSISDBHSA-N 2 2 409.494 1.217 20 0 HDADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@@H+]1CCc2sccc2C1 ZINC000676088478 1075371178 /nfs/dbraw/zinc/37/11/78/1075371178.db2.gz ABZZABKFLCADQZ-AWEZNQCLSA-N 2 2 410.503 1.830 20 0 HDADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@H+]1CCc2sccc2C1 ZINC000676088478 1075371188 /nfs/dbraw/zinc/37/11/88/1075371188.db2.gz ABZZABKFLCADQZ-AWEZNQCLSA-N 2 2 410.503 1.830 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676243082 1075444108 /nfs/dbraw/zinc/44/41/08/1075444108.db2.gz HYBBFSXGEIBWHN-NEYJZJCJSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243082 1075444112 /nfs/dbraw/zinc/44/41/12/1075444112.db2.gz HYBBFSXGEIBWHN-NEYJZJCJSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676262270 1075461617 /nfs/dbraw/zinc/46/16/17/1075461617.db2.gz BUGRVMKSVKUMSV-UTKZUKDTSA-N 2 2 415.538 1.814 20 0 HDADLP C[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676262270 1075461620 /nfs/dbraw/zinc/46/16/20/1075461620.db2.gz BUGRVMKSVKUMSV-UTKZUKDTSA-N 2 2 415.538 1.814 20 0 HDADLP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCC(C)CC1 ZINC000731683148 1075466559 /nfs/dbraw/zinc/46/65/59/1075466559.db2.gz YRXGSRMPCWNHMS-LJQANCHMSA-N 2 2 416.632 1.551 20 0 HDADLP C[C@@H]1CCC[C@](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000731757050 1075512821 /nfs/dbraw/zinc/51/28/21/1075512821.db2.gz SMMXCTGIPKCRCO-APWZRJJASA-N 2 2 402.605 1.305 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000731761300 1075515321 /nfs/dbraw/zinc/51/53/21/1075515321.db2.gz DHBFDCZCFUFFIF-GOSISDBHSA-N 2 2 400.589 1.155 20 0 HDADLP CCCC[N@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761017 1075515657 /nfs/dbraw/zinc/51/56/57/1075515657.db2.gz NQOVRPUOHYCCJN-UHFFFAOYSA-N 2 2 416.632 1.649 20 0 HDADLP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761017 1075515658 /nfs/dbraw/zinc/51/56/58/1075515658.db2.gz NQOVRPUOHYCCJN-UHFFFAOYSA-N 2 2 416.632 1.649 20 0 HDADLP Cc1nc(NCc2cccc(C(=O)NCC(=O)NCC[NH+]3CCCCCC3)c2)cc[nH+]1 ZINC000554220728 1075538194 /nfs/dbraw/zinc/53/81/94/1075538194.db2.gz CJJIUEAXVSDIJI-UHFFFAOYSA-N 2 2 424.549 2.119 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501184 1075569833 /nfs/dbraw/zinc/56/98/33/1075569833.db2.gz PIQANGCQKRITBW-HIFRSBDPSA-N 2 2 405.465 1.007 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501184 1075569838 /nfs/dbraw/zinc/56/98/38/1075569838.db2.gz PIQANGCQKRITBW-HIFRSBDPSA-N 2 2 405.465 1.007 20 0 HDADLP CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000800239577 1075575684 /nfs/dbraw/zinc/57/56/84/1075575684.db2.gz SCWAMHDPRZPQAE-HNNXBMFYSA-N 2 2 411.572 1.986 20 0 HDADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000676684107 1075647177 /nfs/dbraw/zinc/64/71/77/1075647177.db2.gz APUFBTYBMMDWTN-GOSISDBHSA-N 2 2 402.587 1.932 20 0 HDADLP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000581241884 1075759267 /nfs/dbraw/zinc/75/92/67/1075759267.db2.gz RSLRNQDZCOKZEZ-UHFFFAOYSA-N 2 2 404.515 1.794 20 0 HDADLP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000581241884 1075759269 /nfs/dbraw/zinc/75/92/69/1075759269.db2.gz RSLRNQDZCOKZEZ-UHFFFAOYSA-N 2 2 404.515 1.794 20 0 HDADLP CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559370 1075785316 /nfs/dbraw/zinc/78/53/16/1075785316.db2.gz MCRGWSCYYLKQNQ-QGZVFWFLSA-N 2 2 424.567 1.305 20 0 HDADLP CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559370 1075785317 /nfs/dbraw/zinc/78/53/17/1075785317.db2.gz MCRGWSCYYLKQNQ-QGZVFWFLSA-N 2 2 424.567 1.305 20 0 HDADLP CC(=O)[C@@H]1CC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563641 1075789499 /nfs/dbraw/zinc/78/94/99/1075789499.db2.gz LYPHQMCVZQHUFI-IRLDBZIGSA-N 2 2 411.550 1.837 20 0 HDADLP CC(=O)[C@@H]1CC(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563641 1075789503 /nfs/dbraw/zinc/78/95/03/1075789503.db2.gz LYPHQMCVZQHUFI-IRLDBZIGSA-N 2 2 411.550 1.837 20 0 HDADLP CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509292555 1075856833 /nfs/dbraw/zinc/85/68/33/1075856833.db2.gz ASXUJIQAFWNXNC-NRFANRHFSA-N 2 2 408.612 1.993 20 0 HDADLP CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509292555 1075856839 /nfs/dbraw/zinc/85/68/39/1075856839.db2.gz ASXUJIQAFWNXNC-NRFANRHFSA-N 2 2 408.612 1.993 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779215 1075863277 /nfs/dbraw/zinc/86/32/77/1075863277.db2.gz ASBDQNGVJFANGI-KRZKXXONSA-N 2 2 406.552 1.356 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779215 1075863281 /nfs/dbraw/zinc/86/32/81/1075863281.db2.gz ASBDQNGVJFANGI-KRZKXXONSA-N 2 2 406.552 1.356 20 0 HDADLP Cc1csc([C@](O)(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779157 1075863646 /nfs/dbraw/zinc/86/36/46/1075863646.db2.gz RDNSSUNVGYONFG-SUMWQHHRSA-N 2 2 420.501 1.876 20 0 HDADLP Cc1csc([C@](O)(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779157 1075863649 /nfs/dbraw/zinc/86/36/49/1075863649.db2.gz RDNSSUNVGYONFG-SUMWQHHRSA-N 2 2 420.501 1.876 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779217 1075863782 /nfs/dbraw/zinc/86/37/82/1075863782.db2.gz ASBDQNGVJFANGI-MTIYJEKLSA-N 2 2 406.552 1.356 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779217 1075863785 /nfs/dbraw/zinc/86/37/85/1075863785.db2.gz ASBDQNGVJFANGI-MTIYJEKLSA-N 2 2 406.552 1.356 20 0 HDADLP Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732780679 1075865421 /nfs/dbraw/zinc/86/54/21/1075865421.db2.gz LTXWYZOETVSJFB-YNGKYYQNSA-N 2 2 413.501 1.403 20 0 HDADLP Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732780679 1075865425 /nfs/dbraw/zinc/86/54/25/1075865425.db2.gz LTXWYZOETVSJFB-YNGKYYQNSA-N 2 2 413.501 1.403 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732834220 1075882330 /nfs/dbraw/zinc/88/23/30/1075882330.db2.gz OWMCNBJWXOOOPO-CQSZACIVSA-N 2 2 420.608 1.970 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732834220 1075882333 /nfs/dbraw/zinc/88/23/33/1075882333.db2.gz OWMCNBJWXOOOPO-CQSZACIVSA-N 2 2 420.608 1.970 20 0 HDADLP c1nn(-c2ccccc2)nc1C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732914678 1075910828 /nfs/dbraw/zinc/91/08/28/1075910828.db2.gz RFADAAPUHSHXMR-SFHVURJKSA-N 2 2 420.521 1.653 20 0 HDADLP C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)CC1 ZINC000727613044 1076182301 /nfs/dbraw/zinc/18/23/01/1076182301.db2.gz WXCBTZUYQXQSAK-UHFFFAOYSA-N 2 2 415.538 1.604 20 0 HDADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC000728174844 1076365123 /nfs/dbraw/zinc/36/51/23/1076365123.db2.gz YKJNOAMYLFFRDQ-NRFANRHFSA-N 2 2 417.550 1.957 20 0 HDADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC000728174844 1076365137 /nfs/dbraw/zinc/36/51/37/1076365137.db2.gz YKJNOAMYLFFRDQ-NRFANRHFSA-N 2 2 417.550 1.957 20 0 HDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC000728174844 1076365141 /nfs/dbraw/zinc/36/51/41/1076365141.db2.gz YKJNOAMYLFFRDQ-NRFANRHFSA-N 2 2 417.550 1.957 20 0 HDADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC[C@H]3C3OCCO3)CC2)cc1 ZINC000728174844 1076365148 /nfs/dbraw/zinc/36/51/48/1076365148.db2.gz YKJNOAMYLFFRDQ-NRFANRHFSA-N 2 2 417.550 1.957 20 0 HDADLP CCOC(=O)c1cn(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)nc1C ZINC000731209325 1076755778 /nfs/dbraw/zinc/75/57/78/1076755778.db2.gz LZVATZMPTZMMBG-UHFFFAOYSA-N 2 2 405.543 1.592 20 0 HDADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CC1 ZINC001164617072 719029456 /nfs/dbraw/zinc/02/94/56/719029456.db2.gz KBXKRWVJGDSBAD-UHFFFAOYSA-N 2 2 403.527 1.557 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@@H]4C3)[nH+]2)CC1 ZINC001164707487 719918080 /nfs/dbraw/zinc/91/80/80/719918080.db2.gz RKDKFEXQJHANNO-GUDVDZBRSA-N 2 2 415.538 1.086 20 0 HDADLP Cc1c[nH+]c(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc1NC1CC1 ZINC001164711280 720163400 /nfs/dbraw/zinc/16/34/00/720163400.db2.gz ASGOHQVIGPTXIH-SFHVURJKSA-N 2 2 412.542 1.704 20 0 HDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164716715 720208588 /nfs/dbraw/zinc/20/85/88/720208588.db2.gz DEYBDGCZOLJPCI-NRFANRHFSA-N 2 2 402.543 1.050 20 0 HDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164716715 720208604 /nfs/dbraw/zinc/20/86/04/720208604.db2.gz DEYBDGCZOLJPCI-NRFANRHFSA-N 2 2 402.543 1.050 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c12 ZINC001164851360 720843102 /nfs/dbraw/zinc/84/31/02/720843102.db2.gz GUOQMAJBVWJJFJ-GOEBONIOSA-N 2 2 403.483 1.308 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c12 ZINC001164851360 720843105 /nfs/dbraw/zinc/84/31/05/720843105.db2.gz GUOQMAJBVWJJFJ-GOEBONIOSA-N 2 2 403.483 1.308 20 0 HDADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164750578 720960518 /nfs/dbraw/zinc/96/05/18/720960518.db2.gz LAMGRFWSADCRIU-WAYWQWQTSA-N 2 2 413.478 1.418 20 0 HDADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4C[NH2+]CC5)C3)O2)CC1 ZINC001164894050 721382064 /nfs/dbraw/zinc/38/20/64/721382064.db2.gz WPAGAHCUNYSTTB-IIBYNOLFSA-N 2 2 420.989 1.541 20 0 HDADLP CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883872 721414341 /nfs/dbraw/zinc/41/43/41/721414341.db2.gz CEBUCVMLHKAGRL-IERDGZPVSA-N 2 2 401.511 1.178 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC4(C[C@H](c5ccncc5)C(=O)N4)CC3)[nH+]2)CC1 ZINC001164897367 721504904 /nfs/dbraw/zinc/50/49/04/721504904.db2.gz LIRBVSIERNAPBN-LJQANCHMSA-N 2 2 406.534 1.871 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H](CC(=O)NC5CCC5)OC[C@H]4C3)[nH+]2)CC1 ZINC001164936100 721896635 /nfs/dbraw/zinc/89/66/35/721896635.db2.gz XWBMKMSYFMXVMR-MISYRCLQSA-N 2 2 413.566 1.734 20 0 HDADLP Cn1ccc(CN2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)c[nH+]2)CC3)n1 ZINC001164935174 721906994 /nfs/dbraw/zinc/90/69/94/721906994.db2.gz AYZKATPFWBFTLI-UHFFFAOYSA-N 2 2 411.554 1.096 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164980530 722128765 /nfs/dbraw/zinc/12/87/65/722128765.db2.gz RRCOPFNWPJSVFY-YADHBBJMSA-N 3 2 422.577 1.956 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)[nH+]2)CC1 ZINC001164980530 722128768 /nfs/dbraw/zinc/12/87/68/722128768.db2.gz RRCOPFNWPJSVFY-YADHBBJMSA-N 3 2 422.577 1.956 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000509109217 1073550448 /nfs/dbraw/zinc/55/04/48/1073550448.db2.gz IEOZOWLIHOKFPH-HXUWFJFHSA-N 2 2 404.555 1.101 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H](CCCO)c1ccccc1 ZINC000509109217 1073550459 /nfs/dbraw/zinc/55/04/59/1073550459.db2.gz IEOZOWLIHOKFPH-HXUWFJFHSA-N 2 2 404.555 1.101 20 0 HDADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000673783643 1073721087 /nfs/dbraw/zinc/72/10/87/1073721087.db2.gz GJRKBRQNCPHDOQ-OAQYLSRUSA-N 2 2 414.550 1.587 20 0 HDADLP Cc1cccn2cc(CCNC(=O)C(=O)Nc3ccc(OCC[NH+](C)C)cc3)[nH+]c12 ZINC000673788974 1073744986 /nfs/dbraw/zinc/74/49/86/1073744986.db2.gz QXSSVIDSERIRGK-UHFFFAOYSA-N 2 2 409.490 1.881 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839901 1073805411 /nfs/dbraw/zinc/80/54/11/1073805411.db2.gz IENDJQSAOGFNBO-YADHBBJMSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839901 1073805421 /nfs/dbraw/zinc/80/54/21/1073805421.db2.gz IENDJQSAOGFNBO-YADHBBJMSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839901 1073805432 /nfs/dbraw/zinc/80/54/32/1073805432.db2.gz IENDJQSAOGFNBO-YADHBBJMSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839901 1073805444 /nfs/dbraw/zinc/80/54/44/1073805444.db2.gz IENDJQSAOGFNBO-YADHBBJMSA-N 2 2 418.557 1.703 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1 ZINC000674274379 1074254342 /nfs/dbraw/zinc/25/43/42/1074254342.db2.gz OLDFMKBSYSCDRP-RXVVDRJESA-N 2 2 408.587 1.915 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(OC[C@@H]4CCCCO4)CC3)C2)CC1 ZINC000674274379 1074254344 /nfs/dbraw/zinc/25/43/44/1074254344.db2.gz OLDFMKBSYSCDRP-RXVVDRJESA-N 2 2 408.587 1.915 20 0 HDADLP CCC(=O)N1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000674913969 1074613162 /nfs/dbraw/zinc/61/31/62/1074613162.db2.gz XAEYTPUSFWEKEC-SFHVURJKSA-N 2 2 402.543 1.273 20 0 HDADLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[NH+]1CCC(OCCCO)CC1 ZINC000674913358 1074619429 /nfs/dbraw/zinc/61/94/29/1074619429.db2.gz OKTBYIIFDZWITH-IBGZPJMESA-N 2 2 419.566 1.387 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000477101786 1074800569 /nfs/dbraw/zinc/80/05/69/1074800569.db2.gz ROSRHWVJVCFLGH-IPELMVKDSA-N 2 2 424.973 1.674 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000477101786 1074800573 /nfs/dbraw/zinc/80/05/73/1074800573.db2.gz ROSRHWVJVCFLGH-IPELMVKDSA-N 2 2 424.973 1.674 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497053 1075177352 /nfs/dbraw/zinc/17/73/52/1075177352.db2.gz UPCSWFWEWFEPMM-MOPGFXCFSA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497053 1075177355 /nfs/dbraw/zinc/17/73/55/1075177355.db2.gz UPCSWFWEWFEPMM-MOPGFXCFSA-N 2 2 405.587 1.635 20 0 HDADLP C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000675538043 1075195028 /nfs/dbraw/zinc/19/50/28/1075195028.db2.gz PZQUUNUASKNUOH-LAUBAEHRSA-N 2 2 404.530 1.706 20 0 HDADLP Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559418 1075220422 /nfs/dbraw/zinc/22/04/22/1075220422.db2.gz IWVXFEAWXSQDRC-DOTOQJQBSA-N 2 2 423.583 1.670 20 0 HDADLP Cc1cc(NC(=O)[C@H](C)SCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000609559418 1075220423 /nfs/dbraw/zinc/22/04/23/1075220423.db2.gz IWVXFEAWXSQDRC-DOTOQJQBSA-N 2 2 423.583 1.670 20 0 HDADLP COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000675605283 1075221461 /nfs/dbraw/zinc/22/14/61/1075221461.db2.gz LOIBRRVIRXBTAN-GOSISDBHSA-N 2 2 418.538 1.061 20 0 HDADLP COc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000675605283 1075221466 /nfs/dbraw/zinc/22/14/66/1075221466.db2.gz LOIBRRVIRXBTAN-GOSISDBHSA-N 2 2 418.538 1.061 20 0 HDADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(-n2cnnn2)c1 ZINC000675794807 1075270371 /nfs/dbraw/zinc/27/03/71/1075270371.db2.gz HDPMQJDHJOYUCQ-QGZVFWFLSA-N 2 2 406.494 1.447 20 0 HDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000675781991 1075270967 /nfs/dbraw/zinc/27/09/67/1075270967.db2.gz JPKWQVBDVOYYCI-INIZCTEOSA-N 2 2 420.535 1.183 20 0 HDADLP COc1cccc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821635 1075277547 /nfs/dbraw/zinc/27/75/47/1075277547.db2.gz KFLJGWAXUNGDSP-RXVVDRJESA-N 2 2 402.539 1.947 20 0 HDADLP COc1cccc([C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821635 1075277550 /nfs/dbraw/zinc/27/75/50/1075277550.db2.gz KFLJGWAXUNGDSP-RXVVDRJESA-N 2 2 402.539 1.947 20 0 HDADLP COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CC2)c1 ZINC000675995354 1075319661 /nfs/dbraw/zinc/31/96/61/1075319661.db2.gz PYXZQRCJGGBGMF-IBGZPJMESA-N 2 2 402.539 1.886 20 0 HDADLP COc1cccc(OCC[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000675995354 1075319665 /nfs/dbraw/zinc/31/96/65/1075319665.db2.gz PYXZQRCJGGBGMF-IBGZPJMESA-N 2 2 402.539 1.886 20 0 HDADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676093125 1075354839 /nfs/dbraw/zinc/35/48/39/1075354839.db2.gz SXBRHYIMJFBTRB-UHFFFAOYSA-N 2 2 405.393 1.847 20 0 HDADLP CCC(CC)[C@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[NH+]1CCOCC1 ZINC000676090337 1075375283 /nfs/dbraw/zinc/37/52/83/1075375283.db2.gz QCIHFZWYAXMOIQ-IBGZPJMESA-N 2 2 414.510 1.459 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138967 1075406504 /nfs/dbraw/zinc/40/65/04/1075406504.db2.gz ICZUEIZZCSXGDK-LEWJYISDSA-N 2 2 417.598 1.195 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138967 1075406510 /nfs/dbraw/zinc/40/65/10/1075406510.db2.gz ICZUEIZZCSXGDK-LEWJYISDSA-N 2 2 417.598 1.195 20 0 HDADLP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccco1 ZINC000563987842 1075432352 /nfs/dbraw/zinc/43/23/52/1075432352.db2.gz GXVBOQZTPHWXPN-IAGOWNOFSA-N 2 2 404.515 2.059 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676242752 1075444581 /nfs/dbraw/zinc/44/45/81/1075444581.db2.gz AOQNBYVBRZWAHL-WIYYLYMNSA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676242752 1075444584 /nfs/dbraw/zinc/44/45/84/1075444584.db2.gz AOQNBYVBRZWAHL-WIYYLYMNSA-N 2 2 403.571 1.342 20 0 HDADLP C[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731678634 1075461674 /nfs/dbraw/zinc/46/16/74/1075461674.db2.gz URBQRTAQNAXJLG-UHFFFAOYSA-N 2 2 423.583 1.069 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccsc1 ZINC000731680108 1075462422 /nfs/dbraw/zinc/46/24/22/1075462422.db2.gz DIBSDBLHPYSACW-MRXNPFEDSA-N 2 2 402.586 1.159 20 0 HDADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685305 1075469145 /nfs/dbraw/zinc/46/91/45/1075469145.db2.gz XFLPCZKDBUZSHM-GOSISDBHSA-N 2 2 402.605 1.449 20 0 HDADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731685305 1075469147 /nfs/dbraw/zinc/46/91/47/1075469147.db2.gz XFLPCZKDBUZSHM-GOSISDBHSA-N 2 2 402.605 1.449 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000731761558 1075515027 /nfs/dbraw/zinc/51/50/27/1075515027.db2.gz QZZVVKTYZVMMSK-UHFFFAOYSA-N 2 2 400.589 1.155 20 0 HDADLP CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676426333 1075546872 /nfs/dbraw/zinc/54/68/72/1075546872.db2.gz MAZMLFIMJKLJCU-HXUWFJFHSA-N 2 2 416.570 1.182 20 0 HDADLP CN(C(=O)c1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676426333 1075546875 /nfs/dbraw/zinc/54/68/75/1075546875.db2.gz MAZMLFIMJKLJCU-HXUWFJFHSA-N 2 2 416.570 1.182 20 0 HDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000676478699 1075566100 /nfs/dbraw/zinc/56/61/00/1075566100.db2.gz OLFABWMCMWTBMD-HXUWFJFHSA-N 2 2 411.506 1.309 20 0 HDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000676478699 1075566102 /nfs/dbraw/zinc/56/61/02/1075566102.db2.gz OLFABWMCMWTBMD-HXUWFJFHSA-N 2 2 411.506 1.309 20 0 HDADLP COc1cc2[nH+]c(NC[C@@H]3C[C@H](O)C[N@@H+]3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304776 1075702701 /nfs/dbraw/zinc/70/27/01/1075702701.db2.gz HZQYFXGGONJOBJ-HOTGVXAUSA-N 2 2 409.490 1.698 20 0 HDADLP COc1cc2[nH+]c(NC[C@@H]3C[C@H](O)C[N@H+]3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304776 1075702709 /nfs/dbraw/zinc/70/27/09/1075702709.db2.gz HZQYFXGGONJOBJ-HOTGVXAUSA-N 2 2 409.490 1.698 20 0 HDADLP CC(=O)N1CCC([N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2cncs2)CC1 ZINC000429271625 1075757349 /nfs/dbraw/zinc/75/73/49/1075757349.db2.gz IHXJGIWYHJSSMO-UHFFFAOYSA-N 2 2 421.611 1.945 20 0 HDADLP CC(=O)N1CCC([N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)Cc2cncs2)CC1 ZINC000429271625 1075757354 /nfs/dbraw/zinc/75/73/54/1075757354.db2.gz IHXJGIWYHJSSMO-UHFFFAOYSA-N 2 2 421.611 1.945 20 0 HDADLP Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558583 1075785923 /nfs/dbraw/zinc/78/59/23/1075785923.db2.gz BSUKLYAVZOQAFN-YLCCHKQJSA-N 2 2 409.538 1.607 20 0 HDADLP Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558583 1075785928 /nfs/dbraw/zinc/78/59/28/1075785928.db2.gz BSUKLYAVZOQAFN-YLCCHKQJSA-N 2 2 409.538 1.607 20 0 HDADLP C[C@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000467478464 1075815092 /nfs/dbraw/zinc/81/50/92/1075815092.db2.gz ORSPFCINYPKCBE-ICSRJNTNSA-N 2 2 412.538 2.000 20 0 HDADLP C[C@H]1C[C@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000467478464 1075815098 /nfs/dbraw/zinc/81/50/98/1075815098.db2.gz ORSPFCINYPKCBE-ICSRJNTNSA-N 2 2 412.538 2.000 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732781806 1075866560 /nfs/dbraw/zinc/86/65/60/1075866560.db2.gz UEHAJGYUBDPSTH-INIZCTEOSA-N 2 2 406.527 1.333 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732781806 1075866563 /nfs/dbraw/zinc/86/65/63/1075866563.db2.gz UEHAJGYUBDPSTH-INIZCTEOSA-N 2 2 406.527 1.333 20 0 HDADLP C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000514125110 1076017747 /nfs/dbraw/zinc/01/77/47/1076017747.db2.gz QPKVBZNZRCQHQJ-GGPKGHCWSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000514125110 1076017754 /nfs/dbraw/zinc/01/77/54/1076017754.db2.gz QPKVBZNZRCQHQJ-GGPKGHCWSA-N 2 2 412.534 1.272 20 0 HDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000727323746 1076093216 /nfs/dbraw/zinc/09/32/16/1076093216.db2.gz YUBUDILRYXARDQ-INIZCTEOSA-N 2 2 416.522 1.618 20 0 HDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)COCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000533833757 1076246047 /nfs/dbraw/zinc/24/60/47/1076246047.db2.gz ZCLCOQUKTZKWNT-VXKWHMMOSA-N 2 2 422.529 1.609 20 0 HDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)COCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000533833757 1076246051 /nfs/dbraw/zinc/24/60/51/1076246051.db2.gz ZCLCOQUKTZKWNT-VXKWHMMOSA-N 2 2 422.529 1.609 20 0 HDADLP CC1(C)C[N@@H+](C2(CNC(=S)NCCC[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000731160199 1076739677 /nfs/dbraw/zinc/73/96/77/1076739677.db2.gz TZDKTDARLZUJBV-UHFFFAOYSA-N 2 2 412.644 1.987 20 0 HDADLP CC1(C)C[N@H+](C2(CNC(=S)NCCC[NH+]3CCOCC3)CCCCC2)CCO1 ZINC000731160199 1076739686 /nfs/dbraw/zinc/73/96/86/1076739686.db2.gz TZDKTDARLZUJBV-UHFFFAOYSA-N 2 2 412.644 1.987 20 0 HDADLP COCCN1CC[N@H+](C)C2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)C1=O ZINC001164644323 719284773 /nfs/dbraw/zinc/28/47/73/719284773.db2.gz IOGDXIDFECZSHM-UHFFFAOYSA-N 2 2 401.555 1.437 20 0 HDADLP COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3C[NH+]3CCCC3)CC2)C1=O ZINC001164644323 719284777 /nfs/dbraw/zinc/28/47/77/719284777.db2.gz IOGDXIDFECZSHM-UHFFFAOYSA-N 2 2 401.555 1.437 20 0 HDADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164648651 719312937 /nfs/dbraw/zinc/31/29/37/719312937.db2.gz KDERBSXXOSHXEH-UHFFFAOYSA-N 2 2 411.554 1.529 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCc4nnc(COc5ccccn5)n4CC3)[nH+]2)CC1 ZINC001164687878 719685567 /nfs/dbraw/zinc/68/55/67/719685567.db2.gz WNFXSNBMOYMPHS-UHFFFAOYSA-N 2 2 420.521 1.462 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164700978 719843698 /nfs/dbraw/zinc/84/36/98/719843698.db2.gz LLQLOLVSWQFMMC-BFUOFWGJSA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164704137 719860649 /nfs/dbraw/zinc/86/06/49/719860649.db2.gz RTRINJAWHOLFSZ-GCJKJVERSA-N 2 2 417.554 1.066 20 0 HDADLP COc1ccc2c(cc[nH+]c2N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164702463 720047535 /nfs/dbraw/zinc/04/75/35/720047535.db2.gz GKRHUAXWPRCBAS-UHFFFAOYSA-N 2 2 420.517 1.927 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(Cn3cncn3)c[nH+]2)CC1 ZINC001164821716 720339260 /nfs/dbraw/zinc/33/92/60/720339260.db2.gz BMEXQBREVRVIMF-WOJBJXKFSA-N 2 2 409.538 1.633 20 0 HDADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743131 720836857 /nfs/dbraw/zinc/83/68/57/720836857.db2.gz IWFQHSDTOFVLMD-SLFFLAALSA-N 2 2 424.553 1.284 20 0 HDADLP c1ncn(C[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743131 720836861 /nfs/dbraw/zinc/83/68/61/720836861.db2.gz IWFQHSDTOFVLMD-SLFFLAALSA-N 2 2 424.553 1.284 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164768669 721094310 /nfs/dbraw/zinc/09/43/10/721094310.db2.gz OCAAOWAKKQTKPL-JKSUJKDBSA-N 2 2 409.494 1.826 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164768669 721094314 /nfs/dbraw/zinc/09/43/14/721094314.db2.gz OCAAOWAKKQTKPL-JKSUJKDBSA-N 2 2 409.494 1.826 20 0 HDADLP c1cn(-c2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)cn1 ZINC001164913202 721797839 /nfs/dbraw/zinc/79/78/39/721797839.db2.gz BBYKRUUJHMICJW-JOCHJYFZSA-N 2 2 406.490 1.770 20 0 HDADLP c1cn(-c2cc[nH+]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)cn1 ZINC001164913202 721797842 /nfs/dbraw/zinc/79/78/42/721797842.db2.gz BBYKRUUJHMICJW-JOCHJYFZSA-N 2 2 406.490 1.770 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H](CC(=O)NC5CCC5)OC[C@@H]4C3)[nH+]2)CC1 ZINC001164936102 721896431 /nfs/dbraw/zinc/89/64/31/721896431.db2.gz XWBMKMSYFMXVMR-SXLOBPIMSA-N 2 2 413.566 1.734 20 0 HDADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996794 722236147 /nfs/dbraw/zinc/23/61/47/722236147.db2.gz JDZVWTNSVCUJTA-PLNGDYQASA-N 2 2 422.533 1.723 20 0 HDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1nnnn1CC(F)(F)F ZINC000429059288 1073491867 /nfs/dbraw/zinc/49/18/67/1073491867.db2.gz LUNJCQGXTGFMQJ-UHFFFAOYSA-N 2 2 403.497 1.864 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670483 1073623991 /nfs/dbraw/zinc/62/39/91/1073623991.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670483 1073623995 /nfs/dbraw/zinc/62/39/95/1073623995.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670483 1073624001 /nfs/dbraw/zinc/62/40/01/1073624001.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670483 1073624005 /nfs/dbraw/zinc/62/40/05/1073624005.db2.gz XBIXMQNQOAOXEH-FYYLOGMGSA-N 3 2 400.567 1.250 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839855 1073804663 /nfs/dbraw/zinc/80/46/63/1073804663.db2.gz HDODZXYCFAVNQN-LEWJYISDSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839855 1073804680 /nfs/dbraw/zinc/80/46/80/1073804680.db2.gz HDODZXYCFAVNQN-LEWJYISDSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839855 1073804690 /nfs/dbraw/zinc/80/46/90/1073804690.db2.gz HDODZXYCFAVNQN-LEWJYISDSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839855 1073804704 /nfs/dbraw/zinc/80/47/04/1073804704.db2.gz HDODZXYCFAVNQN-LEWJYISDSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839900 1073805156 /nfs/dbraw/zinc/80/51/56/1073805156.db2.gz IENDJQSAOGFNBO-VXKWHMMOSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839900 1073805170 /nfs/dbraw/zinc/80/51/70/1073805170.db2.gz IENDJQSAOGFNBO-VXKWHMMOSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839900 1073805183 /nfs/dbraw/zinc/80/51/83/1073805183.db2.gz IENDJQSAOGFNBO-VXKWHMMOSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839900 1073805198 /nfs/dbraw/zinc/80/51/98/1073805198.db2.gz IENDJQSAOGFNBO-VXKWHMMOSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839898 1073805535 /nfs/dbraw/zinc/80/55/35/1073805535.db2.gz IENDJQSAOGFNBO-FCHUYYIVSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839898 1073805550 /nfs/dbraw/zinc/80/55/50/1073805550.db2.gz IENDJQSAOGFNBO-FCHUYYIVSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839898 1073805559 /nfs/dbraw/zinc/80/55/59/1073805559.db2.gz IENDJQSAOGFNBO-FCHUYYIVSA-N 2 2 418.557 1.703 20 0 HDADLP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000673839898 1073805572 /nfs/dbraw/zinc/80/55/72/1073805572.db2.gz IENDJQSAOGFNBO-FCHUYYIVSA-N 2 2 418.557 1.703 20 0 HDADLP C[NH+]1CCN([C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443959 1073990155 /nfs/dbraw/zinc/99/01/55/1073990155.db2.gz YJCJXTPOICXKBO-YADHBBJMSA-N 2 2 400.567 1.688 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000674202065 1074216548 /nfs/dbraw/zinc/21/65/48/1074216548.db2.gz LBNUAYYTZRTLQF-OAQYLSRUSA-N 2 2 424.549 1.823 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1 ZINC000674274380 1074254321 /nfs/dbraw/zinc/25/43/21/1074254321.db2.gz OLDFMKBSYSCDRP-WIYYLYMNSA-N 2 2 408.587 1.915 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(OC[C@H]4CCCCO4)CC3)C2)CC1 ZINC000674274380 1074254322 /nfs/dbraw/zinc/25/43/22/1074254322.db2.gz OLDFMKBSYSCDRP-WIYYLYMNSA-N 2 2 408.587 1.915 20 0 HDADLP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674404497 1074315751 /nfs/dbraw/zinc/31/57/51/1074315751.db2.gz RRPLVIFLOHKUHK-FQEVSTJZSA-N 2 2 408.587 1.775 20 0 HDADLP CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000674631191 1074495179 /nfs/dbraw/zinc/49/51/79/1074495179.db2.gz MKJPSZOZFCYIFE-RXVVDRJESA-N 2 2 413.566 1.992 20 0 HDADLP CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000674631191 1074495184 /nfs/dbraw/zinc/49/51/84/1074495184.db2.gz MKJPSZOZFCYIFE-RXVVDRJESA-N 2 2 413.566 1.992 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926510 1074624307 /nfs/dbraw/zinc/62/43/07/1074624307.db2.gz BSVIFQVWWLYLDN-SJLPKXTDSA-N 2 2 415.538 1.268 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926510 1074624317 /nfs/dbraw/zinc/62/43/17/1074624317.db2.gz BSVIFQVWWLYLDN-SJLPKXTDSA-N 2 2 415.538 1.268 20 0 HDADLP C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000543615340 1074738385 /nfs/dbraw/zinc/73/83/85/1074738385.db2.gz YMVJEKNXKABUBJ-DLBZAZTESA-N 2 2 402.543 1.854 20 0 HDADLP C[C@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000543615340 1074738394 /nfs/dbraw/zinc/73/83/94/1074738394.db2.gz YMVJEKNXKABUBJ-DLBZAZTESA-N 2 2 402.543 1.854 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000477101788 1074800559 /nfs/dbraw/zinc/80/05/59/1074800559.db2.gz ROSRHWVJVCFLGH-KFKAGJAMSA-N 2 2 424.973 1.674 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000477101788 1074800562 /nfs/dbraw/zinc/80/05/62/1074800562.db2.gz ROSRHWVJVCFLGH-KFKAGJAMSA-N 2 2 424.973 1.674 20 0 HDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000670503104 1074819665 /nfs/dbraw/zinc/81/96/65/1074819665.db2.gz CJWTUBUTEHRECS-RMVXJAJNSA-N 2 2 416.566 1.506 20 0 HDADLP COc1ccc([C@@H](CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[NH+]2CCCC2)cc1 ZINC000670510551 1075094119 /nfs/dbraw/zinc/09/41/19/1075094119.db2.gz LLFQXVYFJNIQNB-OAQYLSRUSA-N 2 2 414.550 1.645 20 0 HDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@]3(CO)CCCN(Cc4ccccc4)C3)cn2)CC1 ZINC000675552929 1075207357 /nfs/dbraw/zinc/20/73/57/1075207357.db2.gz MTNZVGUDHJITTR-HSZRJFAPSA-N 2 2 410.566 1.345 20 0 HDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-n2cncn2)cc1Cl ZINC000675887149 1075289575 /nfs/dbraw/zinc/28/95/75/1075289575.db2.gz YFXLNXSFESWXPY-DLBZAZTESA-N 2 2 404.946 1.978 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCCC1 ZINC000731686236 1075446631 /nfs/dbraw/zinc/44/66/31/1075446631.db2.gz PKBYXZPKGVNCKN-SFHVURJKSA-N 2 2 402.605 1.305 20 0 HDADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676246462 1075447910 /nfs/dbraw/zinc/44/79/10/1075447910.db2.gz UKIAXOPFZJSAAX-YLJYHZDGSA-N 2 2 423.989 1.870 20 0 HDADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246462 1075447912 /nfs/dbraw/zinc/44/79/12/1075447912.db2.gz UKIAXOPFZJSAAX-YLJYHZDGSA-N 2 2 423.989 1.870 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000731679563 1075461770 /nfs/dbraw/zinc/46/17/70/1075461770.db2.gz OTPSINYTHXUPLH-UHFFFAOYSA-N 2 2 422.595 1.591 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000731679826 1075462726 /nfs/dbraw/zinc/46/27/26/1075462726.db2.gz XCGITLXZBJEBCF-QGZVFWFLSA-N 2 2 412.556 1.225 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676263491 1075462872 /nfs/dbraw/zinc/46/28/72/1075462872.db2.gz DDNHVXVELUNYSA-JXFKEZNVSA-N 2 2 405.543 1.678 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676263491 1075462874 /nfs/dbraw/zinc/46/28/74/1075462874.db2.gz DDNHVXVELUNYSA-JXFKEZNVSA-N 2 2 405.543 1.678 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1cccc(F)c1 ZINC000731755338 1075511596 /nfs/dbraw/zinc/51/15/96/1075511596.db2.gz JVYJXTCCQDPUSC-SFHVURJKSA-N 2 2 414.547 1.237 20 0 HDADLP O=C1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CN1CC[NH+]1CCOCC1 ZINC000676419595 1075549675 /nfs/dbraw/zinc/54/96/75/1075549675.db2.gz VVQSQCRAACEMSH-NRFANRHFSA-N 3 2 416.566 1.184 20 0 HDADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438322476 1075602422 /nfs/dbraw/zinc/60/24/22/1075602422.db2.gz OETLQNPAPZTFFI-WOJBJXKFSA-N 2 2 418.586 2.334 20 0 HDADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438322476 1075602425 /nfs/dbraw/zinc/60/24/25/1075602425.db2.gz OETLQNPAPZTFFI-WOJBJXKFSA-N 2 2 418.586 2.334 20 0 HDADLP C/C(=C\C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1cccc(F)c1 ZINC000732078446 1075617290 /nfs/dbraw/zinc/61/72/90/1075617290.db2.gz FSOGKJHNFKPBHM-OBGWFSINSA-N 2 2 416.541 1.926 20 0 HDADLP CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676725799 1075661911 /nfs/dbraw/zinc/66/19/11/1075661911.db2.gz YUZFRPWPPAAJAM-AWEZNQCLSA-N 2 2 402.465 1.749 20 0 HDADLP CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676725799 1075661913 /nfs/dbraw/zinc/66/19/13/1075661913.db2.gz YUZFRPWPPAAJAM-AWEZNQCLSA-N 2 2 402.465 1.749 20 0 HDADLP Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)n2)cc1 ZINC000507408449 1075756992 /nfs/dbraw/zinc/75/69/92/1075756992.db2.gz WTHJJAUGQLFVNG-UHFFFAOYSA-N 2 2 412.542 1.396 20 0 HDADLP C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000562218265 1075769898 /nfs/dbraw/zinc/76/98/98/1075769898.db2.gz RMKAOVYHPLKPPN-PXNSSMCTSA-N 2 2 400.527 2.028 20 0 HDADLP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCc3ccccc3-n3cc[nH+]c3)n2)CC1 ZINC000427003233 1075780083 /nfs/dbraw/zinc/78/00/83/1075780083.db2.gz UTILHFANDBVEDS-UHFFFAOYSA-N 2 2 407.478 1.590 20 0 HDADLP CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558566 1075786045 /nfs/dbraw/zinc/78/60/45/1075786045.db2.gz BRQMOSSTDGVUPO-AQDCRGGLSA-N 2 2 420.579 1.698 20 0 HDADLP CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558566 1075786049 /nfs/dbraw/zinc/78/60/49/1075786049.db2.gz BRQMOSSTDGVUPO-AQDCRGGLSA-N 2 2 420.579 1.698 20 0 HDADLP CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565384 1075789704 /nfs/dbraw/zinc/78/97/04/1075789704.db2.gz XYFHFYRHOVGCFO-DVNWRSDPSA-N 2 2 408.612 1.871 20 0 HDADLP CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565384 1075789710 /nfs/dbraw/zinc/78/97/10/1075789710.db2.gz XYFHFYRHOVGCFO-DVNWRSDPSA-N 2 2 408.612 1.871 20 0 HDADLP CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565110 1075789821 /nfs/dbraw/zinc/78/98/21/1075789821.db2.gz VRSHRKBHGPXWKI-MAUKXSAKSA-N 2 2 417.476 1.187 20 0 HDADLP CN(C(=O)C[C@@](O)(c1nccn1C)C(F)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565110 1075789825 /nfs/dbraw/zinc/78/98/25/1075789825.db2.gz VRSHRKBHGPXWKI-MAUKXSAKSA-N 2 2 417.476 1.187 20 0 HDADLP CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732564526 1075789967 /nfs/dbraw/zinc/78/99/67/1075789967.db2.gz QASLIMGXFZRIOA-HNNXBMFYSA-N 2 2 400.445 1.494 20 0 HDADLP CN(C(=O)Cn1cccc(C(F)(F)F)c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732564526 1075789970 /nfs/dbraw/zinc/78/99/70/1075789970.db2.gz QASLIMGXFZRIOA-HNNXBMFYSA-N 2 2 400.445 1.494 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1 ZINC000732782295 1075866219 /nfs/dbraw/zinc/86/62/19/1075866219.db2.gz WTAGAOUFWWMDBS-HNNXBMFYSA-N 2 2 406.914 1.350 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1 ZINC000732782295 1075866221 /nfs/dbraw/zinc/86/62/21/1075866221.db2.gz WTAGAOUFWWMDBS-HNNXBMFYSA-N 2 2 406.914 1.350 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781730 1075866968 /nfs/dbraw/zinc/86/69/68/1075866968.db2.gz SLRPEMKNGYMAAD-VQTJNVASSA-N 2 2 410.562 1.813 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781730 1075866973 /nfs/dbraw/zinc/86/69/73/1075866973.db2.gz SLRPEMKNGYMAAD-VQTJNVASSA-N 2 2 410.562 1.813 20 0 HDADLP COC(=O)C1(NC(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCCCC1 ZINC000611180935 1075868249 /nfs/dbraw/zinc/86/82/49/1075868249.db2.gz KEFPPCILGIKBAU-UHFFFAOYSA-N 2 2 408.587 1.469 20 0 HDADLP c1c(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)nnn1-c1ccccc1 ZINC000732915210 1075912295 /nfs/dbraw/zinc/91/22/95/1075912295.db2.gz YOVKUZXUYOKUAE-SFHVURJKSA-N 2 2 420.521 1.653 20 0 HDADLP Cc1cc(C(=O)NC2CC[NH+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)c(C)o1 ZINC000727426765 1076127823 /nfs/dbraw/zinc/12/78/23/1076127823.db2.gz YTHCDQWDEGZPEG-UHFFFAOYSA-N 2 2 417.510 1.064 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535266360 1076250511 /nfs/dbraw/zinc/25/05/11/1076250511.db2.gz QNMSQRVGJXKZLO-NRFANRHFSA-N 2 2 423.565 1.865 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535266360 1076250515 /nfs/dbraw/zinc/25/05/15/1076250515.db2.gz QNMSQRVGJXKZLO-NRFANRHFSA-N 2 2 423.565 1.865 20 0 HDADLP O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000728055085 1076323020 /nfs/dbraw/zinc/32/30/20/1076323020.db2.gz IREVZBKREXSQGV-FQEVSTJZSA-N 2 2 403.523 1.220 20 0 HDADLP O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000728055085 1076323026 /nfs/dbraw/zinc/32/30/26/1076323026.db2.gz IREVZBKREXSQGV-FQEVSTJZSA-N 2 2 403.523 1.220 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CC=CC4)C4(C3)CCOCC4)[nH+]2)CC1 ZINC001164677448 719559258 /nfs/dbraw/zinc/55/92/58/719559258.db2.gz NEUKWDDRRSLARD-LJQANCHMSA-N 2 2 411.550 1.465 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001164704424 719865360 /nfs/dbraw/zinc/86/53/60/719865360.db2.gz LXIKTTOUGXJPDG-VBKZILBWSA-N 2 2 408.930 1.613 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001164825446 720331095 /nfs/dbraw/zinc/33/10/95/720331095.db2.gz FEJKQLIXUAHDNY-NHCUHLMSSA-N 3 2 412.582 1.403 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164733392 720555339 /nfs/dbraw/zinc/55/53/39/720555339.db2.gz MNVGLANJLFURHF-UHFFFAOYSA-N 2 2 409.494 1.990 20 0 HDADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164743133 720836667 /nfs/dbraw/zinc/83/66/67/720836667.db2.gz IWFQHSDTOFVLMD-XUVXKRRUSA-N 2 2 424.553 1.284 20 0 HDADLP c1ncn(C[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164743133 720836669 /nfs/dbraw/zinc/83/66/69/720836669.db2.gz IWFQHSDTOFVLMD-XUVXKRRUSA-N 2 2 424.553 1.284 20 0 HDADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)C1 ZINC001164875842 721260549 /nfs/dbraw/zinc/26/05/49/721260549.db2.gz MLCIKNRNMPMHEX-UHFFFAOYSA-N 2 2 402.543 1.084 20 0 HDADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(N4CCCC4)cc[nH+]3)CC2)C1 ZINC001164875842 721260553 /nfs/dbraw/zinc/26/05/53/721260553.db2.gz MLCIKNRNMPMHEX-UHFFFAOYSA-N 2 2 402.543 1.084 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164801325 721530060 /nfs/dbraw/zinc/53/00/60/721530060.db2.gz DXJVDYGSFKGSGU-SXWKCWPCSA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@H]2CCCO[C@@H]12 ZINC001164801325 721530064 /nfs/dbraw/zinc/53/00/64/721530064.db2.gz DXJVDYGSFKGSGU-SXWKCWPCSA-N 2 2 423.565 1.492 20 0 HDADLP CN(C(=O)c1ccccc1CN1CCOCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668866 1073622341 /nfs/dbraw/zinc/62/23/41/1073622341.db2.gz BKSPWTWVAWTTRC-OAQYLSRUSA-N 2 2 400.567 1.759 20 0 HDADLP CN(C(=O)c1ccccc1CN1CCOCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668866 1073622345 /nfs/dbraw/zinc/62/23/45/1073622345.db2.gz BKSPWTWVAWTTRC-OAQYLSRUSA-N 2 2 400.567 1.759 20 0 HDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(S(N)(=O)=O)c1C ZINC000673669276 1073622414 /nfs/dbraw/zinc/62/24/14/1073622414.db2.gz GWXBNPFCKNTDFF-GOSISDBHSA-N 2 2 408.568 1.191 20 0 HDADLP Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(S(N)(=O)=O)c1C ZINC000673669276 1073622418 /nfs/dbraw/zinc/62/24/18/1073622418.db2.gz GWXBNPFCKNTDFF-GOSISDBHSA-N 2 2 408.568 1.191 20 0 HDADLP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670489 1073623942 /nfs/dbraw/zinc/62/39/42/1073623942.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670489 1073623945 /nfs/dbraw/zinc/62/39/45/1073623945.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670489 1073623948 /nfs/dbraw/zinc/62/39/48/1073623948.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 3 2 400.567 1.250 20 0 HDADLP CN(C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000673670489 1073623956 /nfs/dbraw/zinc/62/39/56/1073623956.db2.gz XBIXMQNQOAOXEH-GMAHTHKFSA-N 3 2 400.567 1.250 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000673839859 1073804357 /nfs/dbraw/zinc/80/43/57/1073804357.db2.gz HDODZXYCFAVNQN-NHCUHLMSSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@@H]1CC[NH+](CCN2CCOCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000673839859 1073804363 /nfs/dbraw/zinc/80/43/63/1073804363.db2.gz HDODZXYCFAVNQN-NHCUHLMSSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839859 1073804372 /nfs/dbraw/zinc/80/43/72/1073804372.db2.gz HDODZXYCFAVNQN-NHCUHLMSSA-N 2 2 404.530 1.313 20 0 HDADLP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000673839859 1073804384 /nfs/dbraw/zinc/80/43/84/1073804384.db2.gz HDODZXYCFAVNQN-NHCUHLMSSA-N 2 2 404.530 1.313 20 0 HDADLP CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158198 1074195593 /nfs/dbraw/zinc/19/55/93/1074195593.db2.gz KPSAUEGRXAYPJT-FUHWJXTLSA-N 2 2 403.575 1.923 20 0 HDADLP CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158198 1074195596 /nfs/dbraw/zinc/19/55/96/1074195596.db2.gz KPSAUEGRXAYPJT-FUHWJXTLSA-N 2 2 403.575 1.923 20 0 HDADLP COC1CC[NH+](CCNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000674315139 1074270539 /nfs/dbraw/zinc/27/05/39/1074270539.db2.gz BENFPAXGGXJMSN-UHFFFAOYSA-N 2 2 403.527 1.307 20 0 HDADLP COC1CC[NH+](CCNC(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)CC1 ZINC000674326278 1074276195 /nfs/dbraw/zinc/27/61/95/1074276195.db2.gz BMRGUTXGRHLCIO-UHFFFAOYSA-N 2 2 417.554 1.500 20 0 HDADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515867 1074412540 /nfs/dbraw/zinc/41/25/40/1074412540.db2.gz GQSQUEJKGGWODX-FUHWJXTLSA-N 2 2 422.595 1.325 20 0 HDADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515867 1074412544 /nfs/dbraw/zinc/41/25/44/1074412544.db2.gz GQSQUEJKGGWODX-FUHWJXTLSA-N 2 2 422.595 1.325 20 0 HDADLP Cc1oc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N(C)C ZINC000674685074 1074523247 /nfs/dbraw/zinc/52/32/47/1074523247.db2.gz RRNSXANDSVJXRC-MRXNPFEDSA-N 2 2 412.556 1.079 20 0 HDADLP Cc1oc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1S(=O)(=O)N(C)C ZINC000674685074 1074523253 /nfs/dbraw/zinc/52/32/53/1074523253.db2.gz RRNSXANDSVJXRC-MRXNPFEDSA-N 2 2 412.556 1.079 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778544 1074553914 /nfs/dbraw/zinc/55/39/14/1074553914.db2.gz LBGOXOMVTWJWTP-RDTXWAMCSA-N 2 2 421.492 1.538 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778544 1074553919 /nfs/dbraw/zinc/55/39/19/1074553919.db2.gz LBGOXOMVTWJWTP-RDTXWAMCSA-N 2 2 421.492 1.538 20 0 HDADLP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1[C@@H](C)C1CC1 ZINC000541402818 1074737255 /nfs/dbraw/zinc/73/72/55/1074737255.db2.gz YJVUTFCVWACKMD-INIZCTEOSA-N 2 2 416.570 1.776 20 0 HDADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615593 1074753937 /nfs/dbraw/zinc/75/39/37/1074753937.db2.gz ZVOPCSGIRPBDOE-SJORKVTESA-N 2 2 402.543 1.711 20 0 HDADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615593 1074753949 /nfs/dbraw/zinc/75/39/49/1074753949.db2.gz ZVOPCSGIRPBDOE-SJORKVTESA-N 2 2 402.543 1.711 20 0 HDADLP CO[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000509320858 1074782453 /nfs/dbraw/zinc/78/24/53/1074782453.db2.gz SYLBJXPCYSNJDJ-OAQYLSRUSA-N 2 2 402.539 1.071 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000477109224 1075095477 /nfs/dbraw/zinc/09/54/77/1075095477.db2.gz SRXMXGQNDLVKER-KRWDZBQOSA-N 2 2 423.989 1.425 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000596255928 1075188496 /nfs/dbraw/zinc/18/84/96/1075188496.db2.gz IYLXFJZMDGWWOF-UHFFFAOYSA-N 2 2 412.538 2.001 20 0 HDADLP C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000675538046 1075195180 /nfs/dbraw/zinc/19/51/80/1075195180.db2.gz PZQUUNUASKNUOH-UWJYYQICSA-N 2 2 404.530 1.706 20 0 HDADLP CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000438317424 1075203760 /nfs/dbraw/zinc/20/37/60/1075203760.db2.gz YDUOAHGTOIBTOG-UHFFFAOYSA-N 2 2 414.554 2.379 20 0 HDADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000429359942 1075211595 /nfs/dbraw/zinc/21/15/95/1075211595.db2.gz FJVKTBYHGDKLKA-FQEVSTJZSA-N 2 2 414.594 1.941 20 0 HDADLP C[C@H]1CN(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC[N@H+](C2CCC2)C1 ZINC000429359942 1075211598 /nfs/dbraw/zinc/21/15/98/1075211598.db2.gz FJVKTBYHGDKLKA-FQEVSTJZSA-N 2 2 414.594 1.941 20 0 HDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675885445 1075289068 /nfs/dbraw/zinc/28/90/68/1075289068.db2.gz ALYYLSZTSIFZCC-UYAOXDASSA-N 2 2 422.595 1.284 20 0 HDADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000675886305 1075289556 /nfs/dbraw/zinc/28/95/56/1075289556.db2.gz QRTHJTRXQJBKBY-FXAWDEMLSA-N 2 2 410.584 1.505 20 0 HDADLP CN(C)c1nc(N2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc[nH+]1 ZINC000509375512 1075314973 /nfs/dbraw/zinc/31/49/73/1075314973.db2.gz WPPMEJLXVLVJPJ-UHFFFAOYSA-N 2 2 409.582 1.877 20 0 HDADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000676092120 1075352804 /nfs/dbraw/zinc/35/28/04/1075352804.db2.gz XXMLTGRDWYGFTO-UHFFFAOYSA-N 2 2 404.474 1.593 20 0 HDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000429399092 1075411828 /nfs/dbraw/zinc/41/18/28/1075411828.db2.gz VZUZNMHEGAAUGG-SIKLNZKXSA-N 2 2 413.493 1.940 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243648 1075445190 /nfs/dbraw/zinc/44/51/90/1075445190.db2.gz RGSVZQLRGCKOPZ-CTNGQTDRSA-N 2 2 403.571 1.525 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243648 1075445194 /nfs/dbraw/zinc/44/51/94/1075445194.db2.gz RGSVZQLRGCKOPZ-CTNGQTDRSA-N 2 2 403.571 1.525 20 0 HDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731684064 1075467897 /nfs/dbraw/zinc/46/78/97/1075467897.db2.gz PKVOFTXNHWCKSF-IAGOWNOFSA-N 2 2 416.632 1.551 20 0 HDADLP CCc1ccc([C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC000731755417 1075511561 /nfs/dbraw/zinc/51/15/61/1075511561.db2.gz NRZPLNYVLVJLOH-FQEVSTJZSA-N 2 2 424.611 1.660 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509416859 1075565862 /nfs/dbraw/zinc/56/58/62/1075565862.db2.gz NUFNMGWGHHONLH-WOJBJXKFSA-N 2 2 410.603 1.897 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509416859 1075565867 /nfs/dbraw/zinc/56/58/67/1075565867.db2.gz NUFNMGWGHHONLH-WOJBJXKFSA-N 2 2 410.603 1.897 20 0 HDADLP CN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474619337 1075588887 /nfs/dbraw/zinc/58/88/87/1075588887.db2.gz DXKYFKGOFSAQDU-FQEVSTJZSA-N 2 2 412.538 1.954 20 0 HDADLP CN(C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474619337 1075588890 /nfs/dbraw/zinc/58/88/90/1075588890.db2.gz DXKYFKGOFSAQDU-FQEVSTJZSA-N 2 2 412.538 1.954 20 0 HDADLP c1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000676686504 1075647880 /nfs/dbraw/zinc/64/78/80/1075647880.db2.gz NEOJTLACKVNXKP-BGYRXZFFSA-N 2 2 416.570 1.079 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000732247704 1075679813 /nfs/dbraw/zinc/67/98/13/1075679813.db2.gz LSJHLDYHJMEDRS-UHFFFAOYSA-N 2 2 402.605 1.451 20 0 HDADLP CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCCn3cc[nH+]c3)cc2Cl)CC1 ZINC000141449904 1075684147 /nfs/dbraw/zinc/68/41/47/1075684147.db2.gz QIHSNQMIVXFEJY-UHFFFAOYSA-N 2 2 418.929 1.823 20 0 HDADLP COc1cc2[nH+]c(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)nc(N)c2cc1OC ZINC000487094635 1075707104 /nfs/dbraw/zinc/70/71/04/1075707104.db2.gz QQPLAWYNOSLRCC-WMLDXEAASA-N 2 2 400.527 1.691 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732559268 1075785678 /nfs/dbraw/zinc/78/56/78/1075785678.db2.gz KAQDJVXJSORMJI-GOSISDBHSA-N 2 2 420.554 1.675 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732559268 1075785680 /nfs/dbraw/zinc/78/56/80/1075785680.db2.gz KAQDJVXJSORMJI-GOSISDBHSA-N 2 2 420.554 1.675 20 0 HDADLP Cc1ncc(/C=C/C(=O)N(C)C2CC[NH+](CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000732765333 1075848359 /nfs/dbraw/zinc/84/83/59/1075848359.db2.gz ZABUEPSVYMQXJA-SNAWJCMRSA-N 2 2 405.568 1.162 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779226 1075863886 /nfs/dbraw/zinc/86/38/86/1075863886.db2.gz BDWCKHYFWNGKMO-PYTPGESOSA-N 2 2 412.538 1.603 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779226 1075863890 /nfs/dbraw/zinc/86/38/90/1075863890.db2.gz BDWCKHYFWNGKMO-PYTPGESOSA-N 2 2 412.538 1.603 20 0 HDADLP CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732778776 1075864182 /nfs/dbraw/zinc/86/41/82/1075864182.db2.gz IYCSBYTWVSSPQW-WBVHZDCISA-N 2 2 414.616 1.918 20 0 HDADLP CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732778776 1075864185 /nfs/dbraw/zinc/86/41/85/1075864185.db2.gz IYCSBYTWVSSPQW-WBVHZDCISA-N 2 2 414.616 1.918 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732780986 1075865510 /nfs/dbraw/zinc/86/55/10/1075865510.db2.gz NZYHKBWXTWYGOQ-ZDUSSCGKSA-N 2 2 406.581 1.580 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CN3C(=S)N=NC3c3cccs3)C2)CC1 ZINC000732780986 1075865518 /nfs/dbraw/zinc/86/55/18/1075865518.db2.gz NZYHKBWXTWYGOQ-ZDUSSCGKSA-N 2 2 406.581 1.580 20 0 HDADLP CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611212202 1075875121 /nfs/dbraw/zinc/87/51/21/1075875121.db2.gz PWZAPQWYWWBPDB-MRXNPFEDSA-N 2 2 414.510 1.147 20 0 HDADLP CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611212202 1075875125 /nfs/dbraw/zinc/87/51/25/1075875125.db2.gz PWZAPQWYWWBPDB-MRXNPFEDSA-N 2 2 414.510 1.147 20 0 HDADLP COC(=O)C(C)(C)[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccccc1 ZINC000611406763 1075926806 /nfs/dbraw/zinc/92/68/06/1075926806.db2.gz WLXMLLMFGVAHTM-LJQANCHMSA-N 2 2 405.539 1.744 20 0 HDADLP C[NH+]1CCN(C[C@H](NC(=S)NCCC[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000727702921 1076210226 /nfs/dbraw/zinc/21/02/26/1076210226.db2.gz GESYWXVTPVWITQ-FQEVSTJZSA-N 2 2 405.612 1.162 20 0 HDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000536071318 1076255278 /nfs/dbraw/zinc/25/52/78/1076255278.db2.gz RJVGYWZQSFLXHT-LJQANCHMSA-N 2 2 409.490 1.428 20 0 HDADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000536071318 1076255283 /nfs/dbraw/zinc/25/52/83/1076255283.db2.gz RJVGYWZQSFLXHT-LJQANCHMSA-N 2 2 409.490 1.428 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)CC2)CC1 ZINC000730216076 1076478955 /nfs/dbraw/zinc/47/89/55/1076478955.db2.gz MPIDCMJNXUWPQI-MRXNPFEDSA-N 2 2 402.514 1.853 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@H]4C3)[nH+]2)CC1 ZINC001164707489 719918612 /nfs/dbraw/zinc/91/86/12/719918612.db2.gz RKDKFEXQJHANNO-QYZOEREBSA-N 2 2 415.538 1.086 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCOC[C@]4(CC[C@H](Cn5cccn5)O4)C3)[nH+]2)CC1 ZINC001164803248 720049463 /nfs/dbraw/zinc/04/94/63/720049463.db2.gz JRDSBGDKTFLPLW-KNQAVFIVSA-N 2 2 412.538 1.485 20 0 HDADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164716227 720194290 /nfs/dbraw/zinc/19/42/90/720194290.db2.gz PPBGMGLQCHIKPC-GOSISDBHSA-N 2 2 413.526 1.693 20 0 HDADLP CC(C)NC(=O)C[C@@H]1COC[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001164826301 720419968 /nfs/dbraw/zinc/41/99/68/720419968.db2.gz PCZMGRZVUJQIRL-QRVBRYPASA-N 2 2 401.555 1.447 20 0 HDADLP CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]21 ZINC001164826304 720420505 /nfs/dbraw/zinc/42/05/05/720420505.db2.gz PCZMGRZVUJQIRL-QYZOEREBSA-N 2 2 401.555 1.447 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749292 720800782 /nfs/dbraw/zinc/80/07/82/720800782.db2.gz TVHHVZBLXFHARB-FXAWDEMLSA-N 3 2 410.522 1.687 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)CC1 ZINC001164749292 720800786 /nfs/dbraw/zinc/80/07/86/720800786.db2.gz TVHHVZBLXFHARB-FXAWDEMLSA-N 3 2 410.522 1.687 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749294 720801068 /nfs/dbraw/zinc/80/10/68/720801068.db2.gz TVHHVZBLXFHARB-XLIONFOSSA-N 3 2 410.522 1.687 20 0 HDADLP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)CC1 ZINC001164749294 720801069 /nfs/dbraw/zinc/80/10/69/720801069.db2.gz TVHHVZBLXFHARB-XLIONFOSSA-N 3 2 410.522 1.687 20 0 HDADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164872388 721274164 /nfs/dbraw/zinc/27/41/64/721274164.db2.gz CGKCQOLHEABHSA-UHFFFAOYSA-N 2 2 400.527 1.582 20 0 HDADLP Cc1[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c2c1C ZINC001164872388 721274168 /nfs/dbraw/zinc/27/41/68/721274168.db2.gz CGKCQOLHEABHSA-UHFFFAOYSA-N 2 2 400.527 1.582 20 0 HDADLP CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4[nH+]ccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883874 721414865 /nfs/dbraw/zinc/41/48/65/721414865.db2.gz CEBUCVMLHKAGRL-KKSFZXQISA-N 2 2 401.511 1.178 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164801327 721530035 /nfs/dbraw/zinc/53/00/35/721530035.db2.gz DXJVDYGSFKGSGU-ZRCGQRJVSA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccc(N3CC[NH+](C)CC3)nn2)[C@@H]2CCCO[C@H]21 ZINC001164801327 721530040 /nfs/dbraw/zinc/53/00/40/721530040.db2.gz DXJVDYGSFKGSGU-ZRCGQRJVSA-N 2 2 423.565 1.492 20 0 HDADLP c1cn(-c2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2)cn1 ZINC001164913203 721797677 /nfs/dbraw/zinc/79/76/77/721797677.db2.gz BBYKRUUJHMICJW-QFIPXVFZSA-N 2 2 406.490 1.770 20 0 HDADLP c1cn(-c2cc[nH+]c(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2)cn1 ZINC001164913203 721797679 /nfs/dbraw/zinc/79/76/79/721797679.db2.gz BBYKRUUJHMICJW-QFIPXVFZSA-N 2 2 406.490 1.770 20 0 HDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164945991 721977167 /nfs/dbraw/zinc/97/71/67/721977167.db2.gz IEENNBVWONMMDR-UHFFFAOYSA-N 2 2 421.545 1.889 20 0 HDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cccc(N3CCOCC3)[nH+]1)CC2 ZINC001164945991 721977170 /nfs/dbraw/zinc/97/71/70/721977170.db2.gz IEENNBVWONMMDR-UHFFFAOYSA-N 2 2 421.545 1.889 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164983071 722126140 /nfs/dbraw/zinc/12/61/40/722126140.db2.gz XXGRPZCUOGYKBN-SJLPKXTDSA-N 2 2 422.489 1.867 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164983071 722126142 /nfs/dbraw/zinc/12/61/42/722126142.db2.gz XXGRPZCUOGYKBN-SJLPKXTDSA-N 2 2 422.489 1.867 20 0 HDADLP CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668943 1073622396 /nfs/dbraw/zinc/62/23/96/1073622396.db2.gz CVKUEKAJXBTYLR-GHTZIAJQSA-N 2 2 419.614 1.978 20 0 HDADLP CN(C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668943 1073622401 /nfs/dbraw/zinc/62/24/01/1073622401.db2.gz CVKUEKAJXBTYLR-GHTZIAJQSA-N 2 2 419.614 1.978 20 0 HDADLP CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673837216 1073811063 /nfs/dbraw/zinc/81/10/63/1073811063.db2.gz GUINSPLLVGDVOF-INIZCTEOSA-N 2 2 404.515 1.293 20 0 HDADLP CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673837216 1073811077 /nfs/dbraw/zinc/81/10/77/1073811077.db2.gz GUINSPLLVGDVOF-INIZCTEOSA-N 2 2 404.515 1.293 20 0 HDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000674049175 1074143499 /nfs/dbraw/zinc/14/34/99/1074143499.db2.gz KHFCOROIXNGBAP-WWNPGLIZSA-N 2 2 402.583 1.445 20 0 HDADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515868 1074412352 /nfs/dbraw/zinc/41/23/52/1074412352.db2.gz GQSQUEJKGGWODX-SJLPKXTDSA-N 2 2 422.595 1.325 20 0 HDADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515868 1074412358 /nfs/dbraw/zinc/41/23/58/1074412358.db2.gz GQSQUEJKGGWODX-SJLPKXTDSA-N 2 2 422.595 1.325 20 0 HDADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515869 1074413290 /nfs/dbraw/zinc/41/32/90/1074413290.db2.gz GQSQUEJKGGWODX-WMZOPIPTSA-N 2 2 422.595 1.325 20 0 HDADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515869 1074413297 /nfs/dbraw/zinc/41/32/97/1074413297.db2.gz GQSQUEJKGGWODX-WMZOPIPTSA-N 2 2 422.595 1.325 20 0 HDADLP C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670482921 1074550395 /nfs/dbraw/zinc/55/03/95/1074550395.db2.gz RQTZIPNCMYGVEL-NQIIRXRSSA-N 2 2 400.567 1.751 20 0 HDADLP C[C@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670482921 1074550402 /nfs/dbraw/zinc/55/04/02/1074550402.db2.gz RQTZIPNCMYGVEL-NQIIRXRSSA-N 2 2 400.567 1.751 20 0 HDADLP COc1ccc(-n2cc(CNC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nn2)cc1 ZINC000674777605 1074552858 /nfs/dbraw/zinc/55/28/58/1074552858.db2.gz BJRGEPGZVKIACY-MRXNPFEDSA-N 2 2 413.526 1.244 20 0 HDADLP COc1ccc(-n2cc(CNC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nn2)cc1 ZINC000674777605 1074552867 /nfs/dbraw/zinc/55/28/67/1074552867.db2.gz BJRGEPGZVKIACY-MRXNPFEDSA-N 2 2 413.526 1.244 20 0 HDADLP COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674778547 1074553865 /nfs/dbraw/zinc/55/38/65/1074553865.db2.gz LCZVJSPOKOKDGP-IBGZPJMESA-N 2 2 404.555 1.988 20 0 HDADLP COCCOc1cc(C)ccc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674778547 1074553872 /nfs/dbraw/zinc/55/38/72/1074553872.db2.gz LCZVJSPOKOKDGP-IBGZPJMESA-N 2 2 404.555 1.988 20 0 HDADLP CC(C)(C)n1nnnc1CO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000766068351 1074563934 /nfs/dbraw/zinc/56/39/34/1074563934.db2.gz DFFYGKWAMCWLCN-UHFFFAOYSA-N 2 2 400.531 1.634 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926554 1074624089 /nfs/dbraw/zinc/62/40/89/1074624089.db2.gz CIPQXSIEUFFWIM-QZTJIDSGSA-N 2 2 401.555 1.742 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926554 1074624096 /nfs/dbraw/zinc/62/40/96/1074624096.db2.gz CIPQXSIEUFFWIM-QZTJIDSGSA-N 2 2 401.555 1.742 20 0 HDADLP COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537255295 1074748666 /nfs/dbraw/zinc/74/86/66/1074748666.db2.gz SSBUBRJSTPCWTI-ZWKOTPCHSA-N 2 2 420.558 1.857 20 0 HDADLP COC(=O)Cn1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537255295 1074748675 /nfs/dbraw/zinc/74/86/75/1074748675.db2.gz SSBUBRJSTPCWTI-ZWKOTPCHSA-N 2 2 420.558 1.857 20 0 HDADLP COC(=O)Cn1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537255293 1074748838 /nfs/dbraw/zinc/74/88/38/1074748838.db2.gz SSBUBRJSTPCWTI-ROUUACIJSA-N 2 2 420.558 1.857 20 0 HDADLP COC(=O)Cn1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000537255293 1074748844 /nfs/dbraw/zinc/74/88/44/1074748844.db2.gz SSBUBRJSTPCWTI-ROUUACIJSA-N 2 2 420.558 1.857 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000477081850 1074788987 /nfs/dbraw/zinc/78/89/87/1074788987.db2.gz NEUWXFFPOFJKJF-TYPHKJRUSA-N 3 2 423.646 1.629 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000477081850 1074788993 /nfs/dbraw/zinc/78/89/93/1074788993.db2.gz NEUWXFFPOFJKJF-TYPHKJRUSA-N 3 2 423.646 1.629 20 0 HDADLP CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000675604821 1075221864 /nfs/dbraw/zinc/22/18/64/1075221864.db2.gz GDKIWSFZWCGUCE-LJQANCHMSA-N 2 2 402.539 1.442 20 0 HDADLP CCOc1ccc(C(=O)NCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000675604821 1075221870 /nfs/dbraw/zinc/22/18/70/1075221870.db2.gz GDKIWSFZWCGUCE-LJQANCHMSA-N 2 2 402.539 1.442 20 0 HDADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675779120 1075268039 /nfs/dbraw/zinc/26/80/39/1075268039.db2.gz GCDAZWYNCZJOHH-UHFFFAOYSA-N 2 2 405.462 1.730 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCN(C4CCCCC4)C3=O)CC2)CC1 ZINC000675814575 1075275697 /nfs/dbraw/zinc/27/56/97/1075275697.db2.gz BCRMNISTMWTMPI-HXUWFJFHSA-N 2 2 405.587 1.778 20 0 HDADLP Cc1ccc(NCCCNC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)[nH+]c1 ZINC000548444917 1075304830 /nfs/dbraw/zinc/30/48/30/1075304830.db2.gz AUFFYMUNWMGOPK-NRFANRHFSA-N 2 2 410.566 2.480 20 0 HDADLP COC(=O)c1ccc2c(cnn2C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000731356119 1075318446 /nfs/dbraw/zinc/31/84/46/1075318446.db2.gz OSQVGBRCVXIDNP-UHFFFAOYSA-N 2 2 413.522 1.657 20 0 HDADLP Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+](C)C ZINC000579872512 1075366455 /nfs/dbraw/zinc/36/64/55/1075366455.db2.gz BMGRYQILOTTWEM-GHTZIAJQSA-N 2 2 414.554 2.337 20 0 HDADLP Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)c1 ZINC000676091028 1075375695 /nfs/dbraw/zinc/37/56/95/1075375695.db2.gz VJRLIEMOWHDXIT-UHFFFAOYSA-N 2 2 404.474 1.859 20 0 HDADLP C[NH+](C)CCNC(=O)C1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509386318 1075408670 /nfs/dbraw/zinc/40/86/70/1075408670.db2.gz IWMYFHUYRFDTBA-UHFFFAOYSA-N 3 2 401.599 1.589 20 0 HDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000429399089 1075411983 /nfs/dbraw/zinc/41/19/83/1075411983.db2.gz VZUZNMHEGAAUGG-KNQAVFIVSA-N 2 2 413.493 1.940 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731651081 1075434118 /nfs/dbraw/zinc/43/41/18/1075434118.db2.gz WBIUUNAZNLPDMG-LJQANCHMSA-N 2 2 407.580 1.524 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000731651081 1075434123 /nfs/dbraw/zinc/43/41/23/1075434123.db2.gz WBIUUNAZNLPDMG-LJQANCHMSA-N 2 2 407.580 1.524 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243651 1075445946 /nfs/dbraw/zinc/44/59/46/1075445946.db2.gz RGSVZQLRGCKOPZ-PZJWPPBQSA-N 2 2 403.571 1.525 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243651 1075445949 /nfs/dbraw/zinc/44/59/49/1075445949.db2.gz RGSVZQLRGCKOPZ-PZJWPPBQSA-N 2 2 403.571 1.525 20 0 HDADLP C[N@H+](CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000731680162 1075462411 /nfs/dbraw/zinc/46/24/11/1075462411.db2.gz AKNNREFIUCMNMT-UHFFFAOYSA-N 2 2 410.584 1.317 20 0 HDADLP C[N@@H+](CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000731680162 1075462413 /nfs/dbraw/zinc/46/24/13/1075462413.db2.gz AKNNREFIUCMNMT-UHFFFAOYSA-N 2 2 410.584 1.317 20 0 HDADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682472 1075464584 /nfs/dbraw/zinc/46/45/84/1075464584.db2.gz SNLVDJIITDDAHQ-QGZVFWFLSA-N 2 2 402.605 1.307 20 0 HDADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682472 1075464591 /nfs/dbraw/zinc/46/45/91/1075464591.db2.gz SNLVDJIITDDAHQ-QGZVFWFLSA-N 2 2 402.605 1.307 20 0 HDADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676279795 1075482643 /nfs/dbraw/zinc/48/26/43/1075482643.db2.gz QHWXPAVEWPUFSF-CRAIPNDOSA-N 2 2 406.552 1.009 20 0 HDADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279795 1075482645 /nfs/dbraw/zinc/48/26/45/1075482645.db2.gz QHWXPAVEWPUFSF-CRAIPNDOSA-N 2 2 406.552 1.009 20 0 HDADLP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccco1 ZINC000563987841 1075486386 /nfs/dbraw/zinc/48/63/86/1075486386.db2.gz GXVBOQZTPHWXPN-DLBZAZTESA-N 2 2 404.515 2.059 20 0 HDADLP CCc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC000731755418 1075511591 /nfs/dbraw/zinc/51/15/91/1075511591.db2.gz NRZPLNYVLVJLOH-HXUWFJFHSA-N 2 2 424.611 1.660 20 0 HDADLP CCC(CC)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC000731757504 1075512849 /nfs/dbraw/zinc/51/28/49/1075512849.db2.gz UYCGEQCVJZVVID-LJQANCHMSA-N 2 2 416.632 1.695 20 0 HDADLP Cc1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000676341850 1075514727 /nfs/dbraw/zinc/51/47/27/1075514727.db2.gz VZEMAAOGJLVPRK-SFHVURJKSA-N 2 2 410.522 1.110 20 0 HDADLP Cc1c(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)nnn1-c1cccc2c1CC[N@H+](C)C2 ZINC000676341850 1075514729 /nfs/dbraw/zinc/51/47/29/1075514729.db2.gz VZEMAAOGJLVPRK-SFHVURJKSA-N 2 2 410.522 1.110 20 0 HDADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731760905 1075515691 /nfs/dbraw/zinc/51/56/91/1075515691.db2.gz GZTWQKPJSFCDQY-UHFFFAOYSA-N 2 2 410.584 1.269 20 0 HDADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438704100 1075571707 /nfs/dbraw/zinc/57/17/07/1075571707.db2.gz BLKVXURULJHOOF-IBGZPJMESA-N 2 2 414.554 2.200 20 0 HDADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000804165802 1075572937 /nfs/dbraw/zinc/57/29/37/1075572937.db2.gz FCACEIPFVIEGRA-OAHLLOKOSA-N 2 2 417.579 1.958 20 0 HDADLP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000804165802 1075572942 /nfs/dbraw/zinc/57/29/42/1075572942.db2.gz FCACEIPFVIEGRA-OAHLLOKOSA-N 2 2 417.579 1.958 20 0 HDADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167602 1075587251 /nfs/dbraw/zinc/58/72/51/1075587251.db2.gz QGFXMDZOUDCBRC-CABCVRRESA-N 2 2 415.563 1.758 20 0 HDADLP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167602 1075587255 /nfs/dbraw/zinc/58/72/55/1075587255.db2.gz QGFXMDZOUDCBRC-CABCVRRESA-N 2 2 415.563 1.758 20 0 HDADLP C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000536068443 1075689950 /nfs/dbraw/zinc/68/99/50/1075689950.db2.gz CGDRYUDTBJJURK-DAABDDCCSA-N 2 2 422.581 1.923 20 0 HDADLP C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000536068443 1075689957 /nfs/dbraw/zinc/68/99/57/1075689957.db2.gz CGDRYUDTBJJURK-DAABDDCCSA-N 2 2 422.581 1.923 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000535552010 1075732664 /nfs/dbraw/zinc/73/26/64/1075732664.db2.gz PQWCIMIWBREGSW-WMZOPIPTSA-N 2 2 418.929 1.598 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000535552010 1075732667 /nfs/dbraw/zinc/73/26/67/1075732667.db2.gz PQWCIMIWBREGSW-WMZOPIPTSA-N 2 2 418.929 1.598 20 0 HDADLP C[C@H](c1ccc(NC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1)[NH+]1CCOCC1 ZINC000439631007 1075789778 /nfs/dbraw/zinc/78/97/78/1075789778.db2.gz FAMHBGRDJMTULT-MRXNPFEDSA-N 2 2 420.473 2.238 20 0 HDADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438334179 1075813723 /nfs/dbraw/zinc/81/37/23/1075813723.db2.gz WXWPCCPTDAPGEF-ROUUACIJSA-N 2 2 406.575 2.093 20 0 HDADLP Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779154 1075863724 /nfs/dbraw/zinc/86/37/24/1075863724.db2.gz RDNSSUNVGYONFG-CXAGYDPISA-N 2 2 420.501 1.876 20 0 HDADLP Cc1csc([C@](O)(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779154 1075863729 /nfs/dbraw/zinc/86/37/29/1075863729.db2.gz RDNSSUNVGYONFG-CXAGYDPISA-N 2 2 420.501 1.876 20 0 HDADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732885624 1075891566 /nfs/dbraw/zinc/89/15/66/1075891566.db2.gz CCRLPBLBWIEMIB-MRXNPFEDSA-N 2 2 419.492 1.350 20 0 HDADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913848 1075911179 /nfs/dbraw/zinc/91/11/79/1075911179.db2.gz CZHCVVPXKRVOSO-LJQANCHMSA-N 2 2 418.586 1.910 20 0 HDADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732913848 1075911182 /nfs/dbraw/zinc/91/11/82/1075911182.db2.gz CZHCVVPXKRVOSO-LJQANCHMSA-N 2 2 418.586 1.910 20 0 HDADLP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913848 1075911184 /nfs/dbraw/zinc/91/11/84/1075911184.db2.gz CZHCVVPXKRVOSO-LJQANCHMSA-N 2 2 418.586 1.910 20 0 HDADLP CCCCCC[N@@H+](C)CC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732913848 1075911187 /nfs/dbraw/zinc/91/11/87/1075911187.db2.gz CZHCVVPXKRVOSO-LJQANCHMSA-N 2 2 418.586 1.910 20 0 HDADLP CN(C(=O)[C@H]1CC[C@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000510280629 1075990227 /nfs/dbraw/zinc/99/02/27/1075990227.db2.gz BQXKFMGICLVKQK-HOTGVXAUSA-N 2 2 418.504 1.662 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000733164546 1075997358 /nfs/dbraw/zinc/99/73/58/1075997358.db2.gz WSVFSOUMEYOGGE-UHFFFAOYSA-N 2 2 408.543 1.533 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000733164546 1075997361 /nfs/dbraw/zinc/99/73/61/1075997361.db2.gz WSVFSOUMEYOGGE-UHFFFAOYSA-N 2 2 408.543 1.533 20 0 HDADLP C/C(=C/C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000729979513 1076404171 /nfs/dbraw/zinc/40/41/71/1076404171.db2.gz DTVRKMPWKKRQDD-VLGSPTGOSA-N 2 2 416.541 1.926 20 0 HDADLP C[C@H]1C[NH+](CCOC2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)C[C@H](C)O1 ZINC000543691356 1076434334 /nfs/dbraw/zinc/43/43/34/1076434334.db2.gz BONBOXPUVHBMQO-ROUUACIJSA-N 2 2 404.555 1.879 20 0 HDADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000730264904 1076506017 /nfs/dbraw/zinc/50/60/17/1076506017.db2.gz WYLJKRXGXLCYCP-QGZVFWFLSA-N 2 2 403.527 1.719 20 0 HDADLP CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000730264904 1076506027 /nfs/dbraw/zinc/50/60/27/1076506027.db2.gz WYLJKRXGXLCYCP-QGZVFWFLSA-N 2 2 403.527 1.719 20 0 HDADLP O=C(c1cccnc1N1CC[C@@H]2[NH2+]CCO[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164390042 718823728 /nfs/dbraw/zinc/82/37/28/718823728.db2.gz LGYPANUCVBMCDK-FCHUYYIVSA-N 2 2 421.545 1.607 20 0 HDADLP O=C(c1cccnc1N1CCN2CC[NH2+]C[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164399199 718836467 /nfs/dbraw/zinc/83/64/67/718836467.db2.gz QOVHONZJWZEFGX-OAQYLSRUSA-N 2 2 420.561 1.133 20 0 HDADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164618198 719013042 /nfs/dbraw/zinc/01/30/42/719013042.db2.gz QSFFFCNZFQJUIY-QMMLZNLJSA-N 2 2 407.518 1.765 20 0 HDADLP CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164618198 719013048 /nfs/dbraw/zinc/01/30/48/719013048.db2.gz QSFFFCNZFQJUIY-QMMLZNLJSA-N 2 2 407.518 1.765 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCC([NH3+])CC2)n1 ZINC001164699210 719864332 /nfs/dbraw/zinc/86/43/32/719864332.db2.gz AYWMFAMKQLERON-GCJKJVERSA-N 2 2 417.554 1.242 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001164705726 719871804 /nfs/dbraw/zinc/87/18/04/719871804.db2.gz OCWRWKKGYPETHG-KNQAVFIVSA-N 2 2 402.539 1.909 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001164705726 719871807 /nfs/dbraw/zinc/87/18/07/719871807.db2.gz OCWRWKKGYPETHG-KNQAVFIVSA-N 2 2 402.539 1.909 20 0 HDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C[N@H+](C)C3CC3)cn1)CC2 ZINC001164709143 719926581 /nfs/dbraw/zinc/92/65/81/719926581.db2.gz ZKHNOTNWNVSQAT-UHFFFAOYSA-N 2 2 423.565 1.360 20 0 HDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001164709143 719926592 /nfs/dbraw/zinc/92/65/92/719926592.db2.gz ZKHNOTNWNVSQAT-UHFFFAOYSA-N 2 2 423.565 1.360 20 0 HDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ncccc1C[NH+]1CCCC1)CC2 ZINC001164709134 719937073 /nfs/dbraw/zinc/93/70/73/719937073.db2.gz YYFVFLRUHQQVCC-UHFFFAOYSA-N 2 2 423.565 1.361 20 0 HDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164721482 720278816 /nfs/dbraw/zinc/27/88/16/720278816.db2.gz JWJGTZBCNKFCQH-NRFANRHFSA-N 2 2 400.527 1.677 20 0 HDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cnc4c3ccn4C(C)C)C2)C1 ZINC001164721482 720278827 /nfs/dbraw/zinc/27/88/27/720278827.db2.gz JWJGTZBCNKFCQH-NRFANRHFSA-N 2 2 400.527 1.677 20 0 HDADLP CCOc1cc[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164824700 720450264 /nfs/dbraw/zinc/45/02/64/720450264.db2.gz PPZCUBBJJBDQEH-KRWDZBQOSA-N 2 2 401.511 1.666 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@]4(C(=O)Nc4cccnc4)C3)[nH+]2)CC1 ZINC001164732311 720501854 /nfs/dbraw/zinc/50/18/54/720501854.db2.gz ZBJQUESUATYJDI-WMZHIEFXSA-N 2 2 422.533 1.853 20 0 HDADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1 ZINC001164732916 720523291 /nfs/dbraw/zinc/52/32/91/720523291.db2.gz HKJOSHZPGPPPMM-KRWDZBQOSA-N 2 2 411.558 1.467 20 0 HDADLP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)C1 ZINC001164732916 720523293 /nfs/dbraw/zinc/52/32/93/720523293.db2.gz HKJOSHZPGPPPMM-KRWDZBQOSA-N 2 2 411.558 1.467 20 0 HDADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164856960 720896098 /nfs/dbraw/zinc/89/60/98/720896098.db2.gz ISVGYNAPKBFJCE-UHFFFAOYSA-N 2 2 405.506 1.889 20 0 HDADLP CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4[nH+]ccc5c4NC(=O)CO5)C3)O2)CC1 ZINC001164883871 721413987 /nfs/dbraw/zinc/41/39/87/721413987.db2.gz CEBUCVMLHKAGRL-HRAATJIYSA-N 2 2 401.511 1.178 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@H]4C3)[nH+]2)CC1 ZINC001164793722 721481721 /nfs/dbraw/zinc/48/17/21/721481721.db2.gz YCEITZJXZZCURX-QRVBRYPASA-N 2 2 415.538 1.229 20 0 HDADLP CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1 ZINC001164954394 722009851 /nfs/dbraw/zinc/00/98/51/722009851.db2.gz LVNCMRZLVQNTJJ-UTKZUKDTSA-N 2 2 402.543 1.233 20 0 HDADLP CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]21 ZINC001164972024 722080706 /nfs/dbraw/zinc/08/07/06/722080706.db2.gz XSNGNWJKHLFFKM-ACRUOGEOSA-N 2 2 423.565 1.546 20 0 HDADLP CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668944 1073623101 /nfs/dbraw/zinc/62/31/01/1073623101.db2.gz CVKUEKAJXBTYLR-NQIIRXRSSA-N 2 2 419.614 1.978 20 0 HDADLP CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668944 1073623107 /nfs/dbraw/zinc/62/31/07/1073623107.db2.gz CVKUEKAJXBTYLR-NQIIRXRSSA-N 2 2 419.614 1.978 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670114 1073624716 /nfs/dbraw/zinc/62/47/16/1073624716.db2.gz QWASFTGMSUWCPD-OAQYLSRUSA-N 3 2 414.598 1.221 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670114 1073624721 /nfs/dbraw/zinc/62/47/21/1073624721.db2.gz QWASFTGMSUWCPD-OAQYLSRUSA-N 3 2 414.598 1.221 20 0 HDADLP O=C(N[C@H]1CC[N@H+](CCN2CCOCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000673672475 1073626776 /nfs/dbraw/zinc/62/67/76/1073626776.db2.gz ICOQYMUFYQWJDW-VXKWHMMOSA-N 2 2 400.567 1.564 20 0 HDADLP Cc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)c(OCC[NH+](C)C)c1 ZINC000673781622 1073715724 /nfs/dbraw/zinc/71/57/24/1073715724.db2.gz BQSWQSJFYJEFPW-SFHVURJKSA-N 2 2 418.538 1.197 20 0 HDADLP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000673783641 1073721143 /nfs/dbraw/zinc/72/11/43/1073721143.db2.gz GJRKBRQNCPHDOQ-NRFANRHFSA-N 2 2 414.550 1.587 20 0 HDADLP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000673785711 1073726757 /nfs/dbraw/zinc/72/67/57/1073726757.db2.gz XUGFHBYAGKCJCE-HXUWFJFHSA-N 2 2 418.538 1.279 20 0 HDADLP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673809388 1073762258 /nfs/dbraw/zinc/76/22/58/1073762258.db2.gz BVEFTMYQLHNZGD-UHFFFAOYSA-N 2 2 407.482 1.391 20 0 HDADLP CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673837217 1073811443 /nfs/dbraw/zinc/81/14/43/1073811443.db2.gz GUINSPLLVGDVOF-MRXNPFEDSA-N 2 2 404.515 1.293 20 0 HDADLP CN(C(=O)CCC(=O)Nc1nnc(C2CC2)o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673837217 1073811455 /nfs/dbraw/zinc/81/14/55/1073811455.db2.gz GUINSPLLVGDVOF-MRXNPFEDSA-N 2 2 404.515 1.293 20 0 HDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1C[NH+](C3CC3)C[C@H]1C)CC2 ZINC000466600199 1074064882 /nfs/dbraw/zinc/06/48/82/1074064882.db2.gz WTTYVKXYWHCVLU-DNVCBOLYSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1C[NH+](C3CC3)C[C@H]1C)CC2 ZINC000466600199 1074064888 /nfs/dbraw/zinc/06/48/88/1074064888.db2.gz WTTYVKXYWHCVLU-DNVCBOLYSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@H]1C)CC2 ZINC000466600199 1074064896 /nfs/dbraw/zinc/06/48/96/1074064896.db2.gz WTTYVKXYWHCVLU-DNVCBOLYSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@@H]1C[N@H+](C3CC3)C[C@H]1C)CC2 ZINC000466600199 1074064901 /nfs/dbraw/zinc/06/49/01/1074064901.db2.gz WTTYVKXYWHCVLU-DNVCBOLYSA-N 2 2 402.539 1.844 20 0 HDADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674369083 1074298188 /nfs/dbraw/zinc/29/81/88/1074298188.db2.gz WVHSCUOOMXCZGA-UXHICEINSA-N 2 2 419.566 1.705 20 0 HDADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000674369083 1074298191 /nfs/dbraw/zinc/29/81/91/1074298191.db2.gz WVHSCUOOMXCZGA-UXHICEINSA-N 2 2 419.566 1.705 20 0 HDADLP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674404499 1074315873 /nfs/dbraw/zinc/31/58/73/1074315873.db2.gz RRPLVIFLOHKUHK-HXUWFJFHSA-N 2 2 408.587 1.775 20 0 HDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCN1CCCS1(=O)=O ZINC000674494800 1074405339 /nfs/dbraw/zinc/40/53/39/1074405339.db2.gz CFGVYAOYFVPGKB-GOSISDBHSA-N 2 2 422.595 1.123 20 0 HDADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CCN1CCCS1(=O)=O ZINC000674494800 1074405347 /nfs/dbraw/zinc/40/53/47/1074405347.db2.gz CFGVYAOYFVPGKB-GOSISDBHSA-N 2 2 422.595 1.123 20 0 HDADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668309 1074518715 /nfs/dbraw/zinc/51/87/15/1074518715.db2.gz XPPNICPOZVMTCB-VQIMIIECSA-N 2 2 407.580 1.821 20 0 HDADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668309 1074518725 /nfs/dbraw/zinc/51/87/25/1074518725.db2.gz XPPNICPOZVMTCB-VQIMIIECSA-N 2 2 407.580 1.821 20 0 HDADLP C[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000674669264 1074519705 /nfs/dbraw/zinc/51/97/05/1074519705.db2.gz LCHQBTLAEWDRGJ-MRXNPFEDSA-N 2 2 407.580 1.868 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778542 1074553254 /nfs/dbraw/zinc/55/32/54/1074553254.db2.gz LBGOXOMVTWJWTP-KDOFPFPSSA-N 2 2 421.492 1.538 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778542 1074553260 /nfs/dbraw/zinc/55/32/60/1074553260.db2.gz LBGOXOMVTWJWTP-KDOFPFPSSA-N 2 2 421.492 1.538 20 0 HDADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000477032732 1074733628 /nfs/dbraw/zinc/73/36/28/1074733628.db2.gz KHVRIMILVPGIHJ-MSOLQXFVSA-N 2 2 404.555 1.747 20 0 HDADLP Cc1nn(C)c(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1Cl ZINC001649133333 1074770171 /nfs/dbraw/zinc/77/01/71/1074770171.db2.gz BXXPHMCWXFRKFY-HNNXBMFYSA-N 2 2 405.934 1.767 20 0 HDADLP CN(c1ccccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000675345495 1074810272 /nfs/dbraw/zinc/81/02/72/1074810272.db2.gz VGOQUBKTBDGUCL-QFIPXVFZSA-N 3 2 415.626 1.713 20 0 HDADLP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000675538038 1075194906 /nfs/dbraw/zinc/19/49/06/1075194906.db2.gz PZQUUNUASKNUOH-DYESRHJHSA-N 2 2 404.530 1.706 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCN(C(=O)C4CCCC4)C3)CC2)CC1 ZINC000675557523 1075202418 /nfs/dbraw/zinc/20/24/18/1075202418.db2.gz OWHAVKYYHBEQPO-IBGZPJMESA-N 2 2 405.587 1.635 20 0 HDADLP COc1cc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ccc1S(C)(=O)=O ZINC000675885509 1075289038 /nfs/dbraw/zinc/28/90/38/1075289038.db2.gz CVVFVDQTELGTAI-AEFFLSMTSA-N 2 2 411.568 1.156 20 0 HDADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000675886511 1075289517 /nfs/dbraw/zinc/28/95/17/1075289517.db2.gz SDSIBIRBDIUCSA-ZWKOTPCHSA-N 2 2 420.554 1.417 20 0 HDADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000675886507 1075289540 /nfs/dbraw/zinc/28/95/40/1075289540.db2.gz SDSIBIRBDIUCSA-QZTJIDSGSA-N 2 2 420.554 1.417 20 0 HDADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000675886308 1075289572 /nfs/dbraw/zinc/28/95/72/1075289572.db2.gz QRTHJTRXQJBKBY-XLIONFOSSA-N 2 2 410.584 1.505 20 0 HDADLP Cc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000676090890 1075373727 /nfs/dbraw/zinc/37/37/27/1075373727.db2.gz LKUMSYBNBDIQEA-UHFFFAOYSA-N 2 2 404.474 1.859 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676243098 1075443980 /nfs/dbraw/zinc/44/39/80/1075443980.db2.gz IKHMWYKDJSYDNX-NQIIRXRSSA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676243098 1075443986 /nfs/dbraw/zinc/44/39/86/1075443986.db2.gz IKHMWYKDJSYDNX-NQIIRXRSSA-N 2 2 403.571 1.342 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676243080 1075444231 /nfs/dbraw/zinc/44/42/31/1075444231.db2.gz HYBBFSXGEIBWHN-IIMDRIAPSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000676243080 1075444234 /nfs/dbraw/zinc/44/42/34/1075444234.db2.gz HYBBFSXGEIBWHN-IIMDRIAPSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243080 1075444235 /nfs/dbraw/zinc/44/42/35/1075444235.db2.gz HYBBFSXGEIBWHN-IIMDRIAPSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243080 1075444237 /nfs/dbraw/zinc/44/42/37/1075444237.db2.gz HYBBFSXGEIBWHN-IIMDRIAPSA-N 2 2 404.555 1.814 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCCC1 ZINC000731686235 1075446590 /nfs/dbraw/zinc/44/65/90/1075446590.db2.gz PKBYXZPKGVNCKN-GOSISDBHSA-N 2 2 402.605 1.305 20 0 HDADLP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250056 1075466847 /nfs/dbraw/zinc/46/68/47/1075466847.db2.gz VIASQGNVGVZRTI-SYNHAJSKSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[N@H+]2CC[C@H](NC(=O)N[C@H](C)[C@@H]3C[NH+](C)CCO3)C2)cc(OC)c1 ZINC000676250056 1075466852 /nfs/dbraw/zinc/46/68/52/1075466852.db2.gz VIASQGNVGVZRTI-SYNHAJSKSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250056 1075466856 /nfs/dbraw/zinc/46/68/56/1075466856.db2.gz VIASQGNVGVZRTI-SYNHAJSKSA-N 2 2 406.527 1.296 20 0 HDADLP COc1cc(C[NH+]2CC[C@H](NC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)C2)cc(OC)c1 ZINC000676250056 1075466862 /nfs/dbraw/zinc/46/68/62/1075466862.db2.gz VIASQGNVGVZRTI-SYNHAJSKSA-N 2 2 406.527 1.296 20 0 HDADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731755735 1075512461 /nfs/dbraw/zinc/51/24/61/1075512461.db2.gz BIBUZKZAVWLZSI-BBWFWOEESA-N 2 2 402.605 1.161 20 0 HDADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731755735 1075512466 /nfs/dbraw/zinc/51/24/66/1075512466.db2.gz BIBUZKZAVWLZSI-BBWFWOEESA-N 2 2 402.605 1.161 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000731761355 1075515290 /nfs/dbraw/zinc/51/52/90/1075515290.db2.gz HUWXVIKHPIJAGK-GOSISDBHSA-N 2 2 400.589 1.155 20 0 HDADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676477621 1075560676 /nfs/dbraw/zinc/56/06/76/1075560676.db2.gz JRXMVXWHKUMPDJ-SFHVURJKSA-N 2 2 417.535 1.053 20 0 HDADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676477621 1075560682 /nfs/dbraw/zinc/56/06/82/1075560682.db2.gz JRXMVXWHKUMPDJ-SFHVURJKSA-N 2 2 417.535 1.053 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000676501860 1075570651 /nfs/dbraw/zinc/57/06/51/1075570651.db2.gz WBMOZMNTYFZXNL-YJBOKZPZSA-N 2 2 402.539 1.986 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000676501860 1075570655 /nfs/dbraw/zinc/57/06/55/1075570655.db2.gz WBMOZMNTYFZXNL-YJBOKZPZSA-N 2 2 402.539 1.986 20 0 HDADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[N@@H+]1Cc1ccccc1 ZINC000467478466 1075715138 /nfs/dbraw/zinc/71/51/38/1075715138.db2.gz ORSPFCINYPKCBE-UYAOXDASSA-N 2 2 412.538 2.000 20 0 HDADLP C[C@@H]1C[C@@H](NC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C[N@H+]1Cc1ccccc1 ZINC000467478466 1075715140 /nfs/dbraw/zinc/71/51/40/1075715140.db2.gz ORSPFCINYPKCBE-UYAOXDASSA-N 2 2 412.538 2.000 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000535552009 1075732160 /nfs/dbraw/zinc/73/21/60/1075732160.db2.gz PQWCIMIWBREGSW-SJLPKXTDSA-N 2 2 418.929 1.598 20 0 HDADLP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000535552009 1075732163 /nfs/dbraw/zinc/73/21/63/1075732163.db2.gz PQWCIMIWBREGSW-SJLPKXTDSA-N 2 2 418.929 1.598 20 0 HDADLP C[NH+](C)Cc1cc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)ccc1F ZINC000438302389 1075742546 /nfs/dbraw/zinc/74/25/46/1075742546.db2.gz HXFBLBIRERCNEI-UHFFFAOYSA-N 2 2 404.490 1.738 20 0 HDADLP CC(=O)N1C[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558412 1075785288 /nfs/dbraw/zinc/78/52/88/1075785288.db2.gz AHHMUHHSGXKLBY-NQIIRXRSSA-N 2 2 400.523 1.427 20 0 HDADLP CC(=O)N1C[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)Oc2ccccc21 ZINC000732558412 1075785290 /nfs/dbraw/zinc/78/52/90/1075785290.db2.gz AHHMUHHSGXKLBY-NQIIRXRSSA-N 2 2 400.523 1.427 20 0 HDADLP CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559282 1075785640 /nfs/dbraw/zinc/78/56/40/1075785640.db2.gz KLZYNRJRQAQHHK-OXQOHEQNSA-N 2 2 402.514 1.806 20 0 HDADLP CN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559282 1075785642 /nfs/dbraw/zinc/78/56/42/1075785642.db2.gz KLZYNRJRQAQHHK-OXQOHEQNSA-N 2 2 402.514 1.806 20 0 HDADLP CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732560427 1075787079 /nfs/dbraw/zinc/78/70/79/1075787079.db2.gz ZFSZQABRGMZJPS-GOSISDBHSA-N 2 2 424.567 1.109 20 0 HDADLP CON(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000732560427 1075787081 /nfs/dbraw/zinc/78/70/81/1075787081.db2.gz ZFSZQABRGMZJPS-GOSISDBHSA-N 2 2 424.567 1.109 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425192 1075787284 /nfs/dbraw/zinc/78/72/84/1075787284.db2.gz ZCSPZADTJJWAET-OAQYLSRUSA-N 2 2 418.582 1.428 20 0 HDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425192 1075787289 /nfs/dbraw/zinc/78/72/89/1075787289.db2.gz ZCSPZADTJJWAET-OAQYLSRUSA-N 2 2 418.582 1.428 20 0 HDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425192 1075787293 /nfs/dbraw/zinc/78/72/93/1075787293.db2.gz ZCSPZADTJJWAET-OAQYLSRUSA-N 2 2 418.582 1.428 20 0 HDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425192 1075787300 /nfs/dbraw/zinc/78/73/00/1075787300.db2.gz ZCSPZADTJJWAET-OAQYLSRUSA-N 2 2 418.582 1.428 20 0 HDADLP CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732563637 1075789405 /nfs/dbraw/zinc/78/94/05/1075789405.db2.gz LWTWTNDCJAFFFF-HXUWFJFHSA-N 2 2 411.550 1.792 20 0 HDADLP CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732563637 1075789412 /nfs/dbraw/zinc/78/94/12/1075789412.db2.gz LWTWTNDCJAFFFF-HXUWFJFHSA-N 2 2 411.550 1.792 20 0 HDADLP c1nn(-c2ccccc2)nc1C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732914677 1075910739 /nfs/dbraw/zinc/91/07/39/1075910739.db2.gz RFADAAPUHSHXMR-GOSISDBHSA-N 2 2 420.521 1.653 20 0 HDADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3c(c2=O)CC[NH+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125111 1076017626 /nfs/dbraw/zinc/01/76/26/1076017626.db2.gz QPKVBZNZRCQHQJ-NSHGMRRFSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3c(c2=O)CC[NH+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125111 1076017633 /nfs/dbraw/zinc/01/76/33/1076017633.db2.gz QPKVBZNZRCQHQJ-NSHGMRRFSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125111 1076017640 /nfs/dbraw/zinc/01/76/40/1076017640.db2.gz QPKVBZNZRCQHQJ-NSHGMRRFSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@H](C)O1 ZINC000514125111 1076017644 /nfs/dbraw/zinc/01/76/44/1076017644.db2.gz QPKVBZNZRCQHQJ-NSHGMRRFSA-N 2 2 412.534 1.272 20 0 HDADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000727833122 1076264602 /nfs/dbraw/zinc/26/46/02/1076264602.db2.gz NLQKKPZQFUTMKO-UHFFFAOYSA-N 2 2 400.523 1.562 20 0 HDADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c3C2)cc1 ZINC001164419831 718913833 /nfs/dbraw/zinc/91/38/33/718913833.db2.gz COLXPJHIIKIHBS-QHCPKHFHSA-N 2 2 409.534 1.620 20 0 HDADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCCO[C@@]5(C[NH2+]CCOC5)C4)c3C2)cc1 ZINC001164419831 718913840 /nfs/dbraw/zinc/91/38/40/718913840.db2.gz COLXPJHIIKIHBS-QHCPKHFHSA-N 2 2 409.534 1.620 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164701317 719878261 /nfs/dbraw/zinc/87/82/61/719878261.db2.gz NCMSERXVBPUOER-DENIHFKCSA-N 2 2 402.539 1.910 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001164825828 720296601 /nfs/dbraw/zinc/29/66/01/720296601.db2.gz TZYXGGFZVOGLAH-MOPGFXCFSA-N 2 2 414.554 1.225 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001164825828 720296612 /nfs/dbraw/zinc/29/66/12/720296612.db2.gz TZYXGGFZVOGLAH-MOPGFXCFSA-N 2 2 414.554 1.225 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001164825831 720296759 /nfs/dbraw/zinc/29/67/59/720296759.db2.gz TZYXGGFZVOGLAH-OALUTQOASA-N 2 2 414.554 1.225 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001164825831 720296767 /nfs/dbraw/zinc/29/67/67/720296767.db2.gz TZYXGGFZVOGLAH-OALUTQOASA-N 2 2 414.554 1.225 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001164825839 720296851 /nfs/dbraw/zinc/29/68/51/720296851.db2.gz TZYXGGFZVOGLAH-RTBURBONSA-N 2 2 414.554 1.225 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001164825839 720296857 /nfs/dbraw/zinc/29/68/57/720296857.db2.gz TZYXGGFZVOGLAH-RTBURBONSA-N 2 2 414.554 1.225 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1NC1CC1 ZINC001164871845 721260943 /nfs/dbraw/zinc/26/09/43/721260943.db2.gz ALAAVYFUUMUWFF-UHFFFAOYSA-N 2 2 402.543 1.366 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1NC1CC1 ZINC001164871845 721260950 /nfs/dbraw/zinc/26/09/50/721260950.db2.gz ALAAVYFUUMUWFF-UHFFFAOYSA-N 2 2 402.543 1.366 20 0 HDADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896642 721426375 /nfs/dbraw/zinc/42/63/75/721426375.db2.gz RQCGJOXIBUFNDK-REWPJTCUSA-N 2 2 415.582 1.684 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)[nH+]2)CC1 ZINC001164793720 721481647 /nfs/dbraw/zinc/48/16/47/721481647.db2.gz YCEITZJXZZCURX-FHWLQOOXSA-N 2 2 415.538 1.229 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164807291 721565357 /nfs/dbraw/zinc/56/53/57/721565357.db2.gz SNIWRHFDOQXGIW-SBHAEUEKSA-N 2 2 410.522 1.576 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H]2CCCO[C@H]12 ZINC001164807291 721565362 /nfs/dbraw/zinc/56/53/62/721565362.db2.gz SNIWRHFDOQXGIW-SBHAEUEKSA-N 2 2 410.522 1.576 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(COCc4ccccn4)C3)[nH+]2)CC1 ZINC001164925201 721839716 /nfs/dbraw/zinc/83/97/16/721839716.db2.gz ODBAICLACRAQAC-CVDCTZTESA-N 2 2 409.534 1.898 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978058 722130353 /nfs/dbraw/zinc/13/03/53/722130353.db2.gz JKLVGYDNZKTHPH-TZIWHRDSSA-N 3 2 423.565 1.526 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978058 722130356 /nfs/dbraw/zinc/13/03/56/722130356.db2.gz JKLVGYDNZKTHPH-TZIWHRDSSA-N 3 2 423.565 1.526 20 0 HDADLP COc1ccc([C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1Cn1cccn1 ZINC000766021447 1073658916 /nfs/dbraw/zinc/65/89/16/1073658916.db2.gz ABHROBOAITZNRS-UGKGYDQZSA-N 2 2 413.566 1.997 20 0 HDADLP CN(C)c1ccc(N2CCC([NH2+][C@H]3CCN(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000766022606 1073663966 /nfs/dbraw/zinc/66/39/66/1073663966.db2.gz FORNGKXNXSSDCV-NRFANRHFSA-N 2 2 401.599 1.718 20 0 HDADLP C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673741352 1073674290 /nfs/dbraw/zinc/67/42/90/1073674290.db2.gz WMGCGALITNZKSD-DOTOQJQBSA-N 2 2 412.538 1.308 20 0 HDADLP C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673741352 1073674296 /nfs/dbraw/zinc/67/42/96/1073674296.db2.gz WMGCGALITNZKSD-DOTOQJQBSA-N 2 2 412.538 1.308 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)[nH+]c12 ZINC000673773675 1073705563 /nfs/dbraw/zinc/70/55/63/1073705563.db2.gz UUNSPZDNJCYAPB-UHFFFAOYSA-N 2 2 422.533 1.976 20 0 HDADLP COCCC[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2c[nH+]cn2C)CC1 ZINC000509139910 1073705675 /nfs/dbraw/zinc/70/56/75/1073705675.db2.gz OJGINMAVEILCBY-WIYYLYMNSA-N 2 2 417.554 1.479 20 0 HDADLP CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673837176 1073811196 /nfs/dbraw/zinc/81/11/96/1073811196.db2.gz DZQFEAKCCWYAQP-GOSISDBHSA-N 2 2 417.945 1.620 20 0 HDADLP CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673837176 1073811210 /nfs/dbraw/zinc/81/12/10/1073811210.db2.gz DZQFEAKCCWYAQP-GOSISDBHSA-N 2 2 417.945 1.620 20 0 HDADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(c2)[C@@H](C(=O)OC(C)(C)C)CCNC3=O)CC1 ZINC001168746390 1073823891 /nfs/dbraw/zinc/82/38/91/1073823891.db2.gz NFCMUMQPHIRBOU-INIZCTEOSA-N 2 2 401.511 1.839 20 0 HDADLP C[NH+]1CCN([C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c2ccccc2)CC1 ZINC000670443958 1073990252 /nfs/dbraw/zinc/99/02/52/1073990252.db2.gz YJCJXTPOICXKBO-VXKWHMMOSA-N 2 2 400.567 1.688 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1 ZINC000674160742 1074196681 /nfs/dbraw/zinc/19/66/81/1074196681.db2.gz YSQYNWKJMNEJNQ-GOSISDBHSA-N 2 2 408.568 1.199 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccccc3CS(C)(=O)=O)C2)CC1 ZINC000674160742 1074196686 /nfs/dbraw/zinc/19/66/86/1074196686.db2.gz YSQYNWKJMNEJNQ-GOSISDBHSA-N 2 2 408.568 1.199 20 0 HDADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000674320465 1074270497 /nfs/dbraw/zinc/27/04/97/1074270497.db2.gz JNGLPZZKJAEDRM-KRWDZBQOSA-N 2 2 418.538 1.245 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000674799071 1074561957 /nfs/dbraw/zinc/56/19/57/1074561957.db2.gz AHUSHTSFQXIDOG-CQSZACIVSA-N 2 2 412.456 1.720 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CNC(=O)c3ccccc3C(F)(F)F)C2)CC1 ZINC000674799071 1074561962 /nfs/dbraw/zinc/56/19/62/1074561962.db2.gz AHUSHTSFQXIDOG-CQSZACIVSA-N 2 2 412.456 1.720 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926552 1074624360 /nfs/dbraw/zinc/62/43/60/1074624360.db2.gz CIPQXSIEUFFWIM-MSOLQXFVSA-N 2 2 401.555 1.742 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926552 1074624367 /nfs/dbraw/zinc/62/43/67/1074624367.db2.gz CIPQXSIEUFFWIM-MSOLQXFVSA-N 2 2 401.555 1.742 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926506 1074624947 /nfs/dbraw/zinc/62/49/47/1074624947.db2.gz BSVIFQVWWLYLDN-FUHWJXTLSA-N 2 2 415.538 1.268 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000674926506 1074624950 /nfs/dbraw/zinc/62/49/50/1074624950.db2.gz BSVIFQVWWLYLDN-FUHWJXTLSA-N 2 2 415.538 1.268 20 0 HDADLP C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000543615342 1074738483 /nfs/dbraw/zinc/73/84/83/1074738483.db2.gz YMVJEKNXKABUBJ-IRXDYDNUSA-N 2 2 402.543 1.854 20 0 HDADLP C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000543615342 1074738489 /nfs/dbraw/zinc/73/84/89/1074738489.db2.gz YMVJEKNXKABUBJ-IRXDYDNUSA-N 2 2 402.543 1.854 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000477103856 1074802196 /nfs/dbraw/zinc/80/21/96/1074802196.db2.gz XYFOGFPBUAVLIO-KRWDZBQOSA-N 2 2 404.559 1.404 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325848 1074807003 /nfs/dbraw/zinc/80/70/03/1074807003.db2.gz SHYVUNXCKHVXGS-FQEVSTJZSA-N 2 2 401.551 1.981 20 0 HDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325848 1074807011 /nfs/dbraw/zinc/80/70/11/1074807011.db2.gz SHYVUNXCKHVXGS-FQEVSTJZSA-N 2 2 401.551 1.981 20 0 HDADLP C[C@H]1CCCN(C(=O)C2CCN(C(=O)C[NH+]3CCN(c4cc[nH+]cc4)CC3)CC2)C1 ZINC000675500126 1075180486 /nfs/dbraw/zinc/18/04/86/1075180486.db2.gz ZPEDESLXCOYBCG-IBGZPJMESA-N 2 2 413.566 1.701 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000522829788 1075186535 /nfs/dbraw/zinc/18/65/35/1075186535.db2.gz YJHXZFYWMDLCRB-UHFFFAOYSA-N 2 2 412.538 1.955 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000522829788 1075186537 /nfs/dbraw/zinc/18/65/37/1075186537.db2.gz YJHXZFYWMDLCRB-UHFFFAOYSA-N 2 2 412.538 1.955 20 0 HDADLP Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000675605278 1075221647 /nfs/dbraw/zinc/22/16/47/1075221647.db2.gz LDTALJFHGRWIFO-SFHVURJKSA-N 2 2 402.539 1.447 20 0 HDADLP Cc1ccc(C(=O)NCCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000675605278 1075221649 /nfs/dbraw/zinc/22/16/49/1075221649.db2.gz LDTALJFHGRWIFO-SFHVURJKSA-N 2 2 402.539 1.447 20 0 HDADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090130 1075375167 /nfs/dbraw/zinc/37/51/67/1075375167.db2.gz QRIDZEZJSOTNOS-HXUWFJFHSA-N 2 2 420.473 1.223 20 0 HDADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090130 1075375176 /nfs/dbraw/zinc/37/51/76/1075375176.db2.gz QRIDZEZJSOTNOS-HXUWFJFHSA-N 2 2 420.473 1.223 20 0 HDADLP C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000676293664 1075497662 /nfs/dbraw/zinc/49/76/62/1075497662.db2.gz YUIZDERQYUQKJT-TWOQFEAHSA-N 2 2 407.534 1.657 20 0 HDADLP C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000676293664 1075497665 /nfs/dbraw/zinc/49/76/65/1075497665.db2.gz YUIZDERQYUQKJT-TWOQFEAHSA-N 2 2 407.534 1.657 20 0 HDADLP C[C@@H]1CCC[C@@](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000731757053 1075512870 /nfs/dbraw/zinc/51/28/70/1075512870.db2.gz SMMXCTGIPKCRCO-VQIMIIECSA-N 2 2 402.605 1.305 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509416853 1075565883 /nfs/dbraw/zinc/56/58/83/1075565883.db2.gz NUFNMGWGHHONLH-PMACEKPBSA-N 2 2 410.603 1.897 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509416853 1075565887 /nfs/dbraw/zinc/56/58/87/1075565887.db2.gz NUFNMGWGHHONLH-PMACEKPBSA-N 2 2 410.603 1.897 20 0 HDADLP C[C@H]1CN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[N@@H+]1CCO ZINC000429457224 1075645448 /nfs/dbraw/zinc/64/54/48/1075645448.db2.gz YEZMMSOCOWNVBU-SFHVURJKSA-N 2 2 415.538 1.504 20 0 HDADLP C[C@H]1CN(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[N@H+]1CCO ZINC000429457224 1075645454 /nfs/dbraw/zinc/64/54/54/1075645454.db2.gz YEZMMSOCOWNVBU-SFHVURJKSA-N 2 2 415.538 1.504 20 0 HDADLP CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676725801 1075661927 /nfs/dbraw/zinc/66/19/27/1075661927.db2.gz YUZFRPWPPAAJAM-CQSZACIVSA-N 2 2 402.465 1.749 20 0 HDADLP CN(Cc1cn(C)nc1C(F)(F)F)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676725801 1075661929 /nfs/dbraw/zinc/66/19/29/1075661929.db2.gz YUZFRPWPPAAJAM-CQSZACIVSA-N 2 2 402.465 1.749 20 0 HDADLP CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559219 1075785295 /nfs/dbraw/zinc/78/52/95/1075785295.db2.gz IYDUGUKZCDGNGI-SFHVURJKSA-N 2 2 424.567 1.109 20 0 HDADLP CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559219 1075785296 /nfs/dbraw/zinc/78/52/96/1075785296.db2.gz IYDUGUKZCDGNGI-SFHVURJKSA-N 2 2 424.567 1.109 20 0 HDADLP CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559369 1075785301 /nfs/dbraw/zinc/78/53/01/1075785301.db2.gz MCRGWSCYYLKQNQ-KRWDZBQOSA-N 2 2 424.567 1.305 20 0 HDADLP CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559369 1075785302 /nfs/dbraw/zinc/78/53/02/1075785302.db2.gz MCRGWSCYYLKQNQ-KRWDZBQOSA-N 2 2 424.567 1.305 20 0 HDADLP CC(=O)[C@@H]1CC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563645 1075789944 /nfs/dbraw/zinc/78/99/44/1075789944.db2.gz LYPHQMCVZQHUFI-UNMCSNQZSA-N 2 2 411.550 1.837 20 0 HDADLP CC(=O)[C@@H]1CC(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563645 1075789948 /nfs/dbraw/zinc/78/99/48/1075789948.db2.gz LYPHQMCVZQHUFI-UNMCSNQZSA-N 2 2 411.550 1.837 20 0 HDADLP CCC1(CC)[C@@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@@H]1OC ZINC000429295333 1075844982 /nfs/dbraw/zinc/84/49/82/1075844982.db2.gz UDLACDOZYCVQHS-IRXDYDNUSA-N 2 2 415.542 1.195 20 0 HDADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000533846955 1076245881 /nfs/dbraw/zinc/24/58/81/1076245881.db2.gz CRZOAIBKIDRQJG-HXUWFJFHSA-N 2 2 401.555 1.759 20 0 HDADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)N[C@@H]2C[NH+](C)Cc3ccccc32)CC1 ZINC000533846955 1076245884 /nfs/dbraw/zinc/24/58/84/1076245884.db2.gz CRZOAIBKIDRQJG-HXUWFJFHSA-N 2 2 401.555 1.759 20 0 HDADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000533846955 1076245885 /nfs/dbraw/zinc/24/58/85/1076245885.db2.gz CRZOAIBKIDRQJG-HXUWFJFHSA-N 2 2 401.555 1.759 20 0 HDADLP CCN(CC)C(=O)C[NH+]1CCCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000533846955 1076245891 /nfs/dbraw/zinc/24/58/91/1076245891.db2.gz CRZOAIBKIDRQJG-HXUWFJFHSA-N 2 2 401.555 1.759 20 0 HDADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)c2)CC1 ZINC000535312485 1076252641 /nfs/dbraw/zinc/25/26/41/1076252641.db2.gz CJNUSNMMELMQPU-QFIPXVFZSA-N 2 2 421.545 1.675 20 0 HDADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)c2)CC1 ZINC000535312485 1076252646 /nfs/dbraw/zinc/25/26/46/1076252646.db2.gz CJNUSNMMELMQPU-QFIPXVFZSA-N 2 2 421.545 1.675 20 0 HDADLP CN(C(=O)c1cc(Cl)c(Cl)[nH]1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729979535 1076404213 /nfs/dbraw/zinc/40/42/13/1076404213.db2.gz FRUIEVWJRQRTSJ-UHFFFAOYSA-N 2 2 416.353 1.632 20 0 HDADLP CN(C(=O)/C=C\c1cccc(F)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729981150 1076406180 /nfs/dbraw/zinc/40/61/80/1076406180.db2.gz XJXMYRNGHWHVNL-SREVYHEPSA-N 2 2 402.514 1.536 20 0 HDADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000730670815 1076634610 /nfs/dbraw/zinc/63/46/10/1076634610.db2.gz DRUPGELGFCSWSY-GOSISDBHSA-N 2 2 423.989 1.872 20 0 HDADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000730670815 1076634611 /nfs/dbraw/zinc/63/46/11/1076634611.db2.gz DRUPGELGFCSWSY-GOSISDBHSA-N 2 2 423.989 1.872 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164739008 720749057 /nfs/dbraw/zinc/74/90/57/720749057.db2.gz HKQABBQDSIDCAJ-HUUCEWRRSA-N 2 2 408.462 1.872 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164739008 720749065 /nfs/dbraw/zinc/74/90/65/720749065.db2.gz HKQABBQDSIDCAJ-HUUCEWRRSA-N 2 2 408.462 1.872 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@H]43)[nH+]2)CC1 ZINC001164847970 720820520 /nfs/dbraw/zinc/82/05/20/720820520.db2.gz LFJHDIZRRGHREZ-FGTMMUONSA-N 2 2 401.511 1.124 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164768662 721095058 /nfs/dbraw/zinc/09/50/58/721095058.db2.gz OCAAOWAKKQTKPL-HZPDHXFCSA-N 2 2 409.494 1.826 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164768662 721095063 /nfs/dbraw/zinc/09/50/63/721095063.db2.gz OCAAOWAKKQTKPL-HZPDHXFCSA-N 2 2 409.494 1.826 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802620 721585435 /nfs/dbraw/zinc/58/54/35/721585435.db2.gz HHHACGHNZBVYCQ-JAXLGGSGSA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164802620 721585439 /nfs/dbraw/zinc/58/54/39/721585439.db2.gz HHHACGHNZBVYCQ-JAXLGGSGSA-N 2 2 423.565 1.492 20 0 HDADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC001164960643 722023378 /nfs/dbraw/zinc/02/33/78/722023378.db2.gz MABVHCDAXWYMMU-LJQANCHMSA-N 2 2 421.549 1.818 20 0 HDADLP NC(=O)[C@H]1CCCN1c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC001164960643 722023381 /nfs/dbraw/zinc/02/33/81/722023381.db2.gz MABVHCDAXWYMMU-LJQANCHMSA-N 2 2 421.549 1.818 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164982802 722103107 /nfs/dbraw/zinc/10/31/07/722103107.db2.gz PDBYXZDMJJFLCC-UXHICEINSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)CC[C@@H]3C2)c1 ZINC001164982802 722103108 /nfs/dbraw/zinc/10/31/08/722103108.db2.gz PDBYXZDMJJFLCC-UXHICEINSA-N 2 2 410.522 1.436 20 0 HDADLP CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668947 1073623170 /nfs/dbraw/zinc/62/31/70/1073623170.db2.gz CVKUEKAJXBTYLR-WIYYLYMNSA-N 2 2 419.614 1.978 20 0 HDADLP CN(C(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668947 1073623175 /nfs/dbraw/zinc/62/31/75/1073623175.db2.gz CVKUEKAJXBTYLR-WIYYLYMNSA-N 2 2 419.614 1.978 20 0 HDADLP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)Nc3cnn(-c4cc[nH+]cc4)c3)cc2)CC1 ZINC000673863388 1073830265 /nfs/dbraw/zinc/83/02/65/1073830265.db2.gz ZSKRWMJSCKERPJ-UHFFFAOYSA-N 2 2 419.489 1.977 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545296 1074058734 /nfs/dbraw/zinc/05/87/34/1074058734.db2.gz JWMCNMJYFNZDOR-HKUYNNGSSA-N 2 2 400.527 1.391 20 0 HDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545296 1074058743 /nfs/dbraw/zinc/05/87/43/1074058743.db2.gz JWMCNMJYFNZDOR-HKUYNNGSSA-N 2 2 400.527 1.391 20 0 HDADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000674320181 1074280484 /nfs/dbraw/zinc/28/04/84/1074280484.db2.gz DXUPOQHYKCKXOA-QGZVFWFLSA-N 2 2 418.538 1.245 20 0 HDADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000674706768 1074535563 /nfs/dbraw/zinc/53/55/63/1074535563.db2.gz KLNKDUSPJHLDPX-QGZVFWFLSA-N 2 2 405.543 1.553 20 0 HDADLP C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670482922 1074550328 /nfs/dbraw/zinc/55/03/28/1074550328.db2.gz RQTZIPNCMYGVEL-RXVVDRJESA-N 2 2 400.567 1.751 20 0 HDADLP C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670482922 1074550335 /nfs/dbraw/zinc/55/03/35/1074550335.db2.gz RQTZIPNCMYGVEL-RXVVDRJESA-N 2 2 400.567 1.751 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926556 1074624418 /nfs/dbraw/zinc/62/44/18/1074624418.db2.gz CIPQXSIEUFFWIM-ROUUACIJSA-N 2 2 401.555 1.742 20 0 HDADLP COc1ccccc1N1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926556 1074624428 /nfs/dbraw/zinc/62/44/28/1074624428.db2.gz CIPQXSIEUFFWIM-ROUUACIJSA-N 2 2 401.555 1.742 20 0 HDADLP CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670487735 1074637367 /nfs/dbraw/zinc/63/73/67/1074637367.db2.gz CLPGRRJYTQTMBT-IBGZPJMESA-N 2 2 411.550 1.454 20 0 HDADLP CN(C(=O)C(=O)NCCc1c[nH]c2ccccc12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670487735 1074637378 /nfs/dbraw/zinc/63/73/78/1074637378.db2.gz CLPGRRJYTQTMBT-IBGZPJMESA-N 2 2 411.550 1.454 20 0 HDADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804218891 1074659110 /nfs/dbraw/zinc/65/91/10/1074659110.db2.gz KEJRKOPZKCREGN-QGZVFWFLSA-N 2 2 403.571 1.684 20 0 HDADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000804218891 1074659116 /nfs/dbraw/zinc/65/91/16/1074659116.db2.gz KEJRKOPZKCREGN-QGZVFWFLSA-N 2 2 403.571 1.684 20 0 HDADLP CCC(CC)[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000543614340 1074713134 /nfs/dbraw/zinc/71/31/34/1074713134.db2.gz AMBVGVWAULCVKR-LJQANCHMSA-N 2 2 404.559 1.957 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101829 1074718250 /nfs/dbraw/zinc/71/82/50/1074718250.db2.gz APXAGMSDHTZARH-HZPDHXFCSA-N 2 2 406.962 1.781 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101829 1074718262 /nfs/dbraw/zinc/71/82/62/1074718262.db2.gz APXAGMSDHTZARH-HZPDHXFCSA-N 2 2 406.962 1.781 20 0 HDADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438318834 1074726102 /nfs/dbraw/zinc/72/61/02/1074726102.db2.gz DXWVXJOGVNIISL-UHFFFAOYSA-N 2 2 412.538 1.785 20 0 HDADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438318834 1074726113 /nfs/dbraw/zinc/72/61/13/1074726113.db2.gz DXWVXJOGVNIISL-UHFFFAOYSA-N 2 2 412.538 1.785 20 0 HDADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000675185153 1074751354 /nfs/dbraw/zinc/75/13/54/1074751354.db2.gz ZGFKPIVMRQWCDX-SFHVURJKSA-N 2 2 402.543 1.294 20 0 HDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](Cc2ccccc2)C1 ZINC001128961221 1074766951 /nfs/dbraw/zinc/76/69/51/1074766951.db2.gz REXWDRWPEQLIQQ-NNWRFLSQSA-N 2 2 401.551 1.847 20 0 HDADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](Cc2ccccc2)C1 ZINC001128961221 1074766959 /nfs/dbraw/zinc/76/69/59/1074766959.db2.gz REXWDRWPEQLIQQ-NNWRFLSQSA-N 2 2 401.551 1.847 20 0 HDADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@]3(CO)CCCN(Cc4ccccc4)C3)cn2)CC1 ZINC000675552930 1075207346 /nfs/dbraw/zinc/20/73/46/1075207346.db2.gz MTNZVGUDHJITTR-QHCPKHFHSA-N 2 2 410.566 1.345 20 0 HDADLP COc1cc(OC)cc(OCCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675650364 1075247297 /nfs/dbraw/zinc/24/72/97/1075247297.db2.gz BAKZUOUQEXNLMO-INIZCTEOSA-N 2 2 406.527 1.550 20 0 HDADLP COc1cc(OC)cc(OCCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675650364 1075247302 /nfs/dbraw/zinc/24/73/02/1075247302.db2.gz BAKZUOUQEXNLMO-INIZCTEOSA-N 2 2 406.527 1.550 20 0 HDADLP CCOC(=O)c1cn(C)nc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000544258039 1075319822 /nfs/dbraw/zinc/31/98/22/1075319822.db2.gz RMVKYOFRRGVHBG-UHFFFAOYSA-N 2 2 406.531 1.669 20 0 HDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000675996169 1075320161 /nfs/dbraw/zinc/32/01/61/1075320161.db2.gz GRKQKMVLJZVGKW-UXHICEINSA-N 2 2 424.549 1.652 20 0 HDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000675996169 1075320167 /nfs/dbraw/zinc/32/01/67/1075320167.db2.gz GRKQKMVLJZVGKW-UXHICEINSA-N 2 2 424.549 1.652 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147487 1075398498 /nfs/dbraw/zinc/39/84/98/1075398498.db2.gz HLZYGIDFROQEPA-OPAMFIHVSA-N 2 2 419.570 1.162 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147487 1075398506 /nfs/dbraw/zinc/39/85/06/1075398506.db2.gz HLZYGIDFROQEPA-OPAMFIHVSA-N 2 2 419.570 1.162 20 0 HDADLP C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243052 1075444248 /nfs/dbraw/zinc/44/42/48/1075444248.db2.gz GVVAWQQKJJTSNI-UNMCSNQZSA-N 2 2 417.598 1.603 20 0 HDADLP C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243052 1075444251 /nfs/dbraw/zinc/44/42/51/1075444251.db2.gz GVVAWQQKJJTSNI-UNMCSNQZSA-N 2 2 417.598 1.603 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000731679823 1075462836 /nfs/dbraw/zinc/46/28/36/1075462836.db2.gz XCGITLXZBJEBCF-KRWDZBQOSA-N 2 2 412.556 1.225 20 0 HDADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676279797 1075482588 /nfs/dbraw/zinc/48/25/88/1075482588.db2.gz QHWXPAVEWPUFSF-QAPCUYQASA-N 2 2 406.552 1.009 20 0 HDADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279797 1075482591 /nfs/dbraw/zinc/48/25/91/1075482591.db2.gz QHWXPAVEWPUFSF-QAPCUYQASA-N 2 2 406.552 1.009 20 0 HDADLP Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)C[NH+]4CCCC4)CC3)c2)cc[nH+]1 ZINC000544488800 1075536542 /nfs/dbraw/zinc/53/65/42/1075536542.db2.gz STRHKSDMFPZQOC-UHFFFAOYSA-N 2 2 422.533 1.777 20 0 HDADLP COc1cc2[nH+]c(NC3CCN(c4cc(C)[nH+]c(C)n4)CC3)nc(N)c2cc1OC ZINC000426901914 1075701830 /nfs/dbraw/zinc/70/18/30/1075701830.db2.gz YNMCHXIZBZXPOF-UHFFFAOYSA-N 2 2 409.494 2.139 20 0 HDADLP COc1cc2[nH+]c(NC[C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304782 1075702190 /nfs/dbraw/zinc/70/21/90/1075702190.db2.gz HZQYFXGGONJOBJ-JKSUJKDBSA-N 2 2 409.490 1.698 20 0 HDADLP COc1cc2[nH+]c(NC[C@@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304782 1075702195 /nfs/dbraw/zinc/70/21/95/1075702195.db2.gz HZQYFXGGONJOBJ-JKSUJKDBSA-N 2 2 409.490 1.698 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438334175 1075721613 /nfs/dbraw/zinc/72/16/13/1075721613.db2.gz WXWPCCPTDAPGEF-HDICACEKSA-N 2 2 406.575 2.093 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438334175 1075721616 /nfs/dbraw/zinc/72/16/16/1075721616.db2.gz WXWPCCPTDAPGEF-HDICACEKSA-N 2 2 406.575 2.093 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3CN3CCCC3=O)CC2)CC1 ZINC000732457800 1075749288 /nfs/dbraw/zinc/74/92/88/1075749288.db2.gz AFUFZKXDIIHSIZ-HXUWFJFHSA-N 2 2 405.587 1.732 20 0 HDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000732463849 1075751903 /nfs/dbraw/zinc/75/19/03/1075751903.db2.gz SSGJYVJCBKOCKQ-QGZVFWFLSA-N 2 2 403.527 1.307 20 0 HDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000732463849 1075751908 /nfs/dbraw/zinc/75/19/08/1075751908.db2.gz SSGJYVJCBKOCKQ-QGZVFWFLSA-N 2 2 403.527 1.307 20 0 HDADLP CCN1C[C@H](C[N@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423725 1075787323 /nfs/dbraw/zinc/78/73/23/1075787323.db2.gz XUVUAIUBMLSINE-UXHICEINSA-N 2 2 418.582 1.679 20 0 HDADLP CCN1C[C@H](C[N@@H+](C)CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423725 1075787326 /nfs/dbraw/zinc/78/73/26/1075787326.db2.gz XUVUAIUBMLSINE-UXHICEINSA-N 2 2 418.582 1.679 20 0 HDADLP CCN1C[C@H](C[NH+](C)CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423725 1075787331 /nfs/dbraw/zinc/78/73/31/1075787331.db2.gz XUVUAIUBMLSINE-UXHICEINSA-N 2 2 418.582 1.679 20 0 HDADLP CCN1C[C@H](C[NH+](C)CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)Oc2ccccc21 ZINC000016423725 1075787335 /nfs/dbraw/zinc/78/73/35/1075787335.db2.gz XUVUAIUBMLSINE-UXHICEINSA-N 2 2 418.582 1.679 20 0 HDADLP CC(=O)[C@H]1CC(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563643 1075789357 /nfs/dbraw/zinc/78/93/57/1075789357.db2.gz LYPHQMCVZQHUFI-RBBKRZOGSA-N 2 2 411.550 1.837 20 0 HDADLP CC(=O)[C@H]1CC(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)=NN1c1ccccc1 ZINC000732563643 1075789359 /nfs/dbraw/zinc/78/93/59/1075789359.db2.gz LYPHQMCVZQHUFI-RBBKRZOGSA-N 2 2 411.550 1.837 20 0 HDADLP CCN(CC)C(=O)C[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509277215 1075815946 /nfs/dbraw/zinc/81/59/46/1075815946.db2.gz SVNTZOSXFWBGHX-UHFFFAOYSA-N 2 2 401.599 1.685 20 0 HDADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000429295325 1075845168 /nfs/dbraw/zinc/84/51/68/1075845168.db2.gz UDLACDOZYCVQHS-DLBZAZTESA-N 2 2 415.542 1.195 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779228 1075863854 /nfs/dbraw/zinc/86/38/54/1075863854.db2.gz BDWCKHYFWNGKMO-WRFKIARRSA-N 2 2 412.538 1.603 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779228 1075863861 /nfs/dbraw/zinc/86/38/61/1075863861.db2.gz BDWCKHYFWNGKMO-WRFKIARRSA-N 2 2 412.538 1.603 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)C2)CC1 ZINC000732781409 1075865052 /nfs/dbraw/zinc/86/50/52/1075865052.db2.gz QYPHSXAYALEPPT-UYAOXDASSA-N 2 2 400.523 1.855 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](c3ccccc3)N3CCOC3=O)C2)CC1 ZINC000732781409 1075865055 /nfs/dbraw/zinc/86/50/55/1075865055.db2.gz QYPHSXAYALEPPT-UYAOXDASSA-N 2 2 400.523 1.855 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782739 1075867769 /nfs/dbraw/zinc/86/77/69/1075867769.db2.gz ZCHVNARPDXZLHD-QZTJIDSGSA-N 2 2 418.969 1.973 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782739 1075867774 /nfs/dbraw/zinc/86/77/74/1075867774.db2.gz ZCHVNARPDXZLHD-QZTJIDSGSA-N 2 2 418.969 1.973 20 0 HDADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cn1 ZINC000733854979 1076231508 /nfs/dbraw/zinc/23/15/08/1076231508.db2.gz AWBGFXWRSJGNLY-UHFFFAOYSA-N 2 2 402.418 1.411 20 0 HDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)COCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000533833756 1076246175 /nfs/dbraw/zinc/24/61/75/1076246175.db2.gz ZCLCOQUKTZKWNT-SZPZYZBQSA-N 2 2 422.529 1.609 20 0 HDADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)COCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000533833756 1076246178 /nfs/dbraw/zinc/24/61/78/1076246178.db2.gz ZCLCOQUKTZKWNT-SZPZYZBQSA-N 2 2 422.529 1.609 20 0 HDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000533833756 1076246181 /nfs/dbraw/zinc/24/61/81/1076246181.db2.gz ZCLCOQUKTZKWNT-SZPZYZBQSA-N 2 2 422.529 1.609 20 0 HDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000533833756 1076246186 /nfs/dbraw/zinc/24/61/86/1076246186.db2.gz ZCLCOQUKTZKWNT-SZPZYZBQSA-N 2 2 422.529 1.609 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535266361 1076250575 /nfs/dbraw/zinc/25/05/75/1076250575.db2.gz QNMSQRVGJXKZLO-OAQYLSRUSA-N 2 2 423.565 1.865 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535266361 1076250579 /nfs/dbraw/zinc/25/05/79/1076250579.db2.gz QNMSQRVGJXKZLO-OAQYLSRUSA-N 2 2 423.565 1.865 20 0 HDADLP CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000728024810 1076308769 /nfs/dbraw/zinc/30/87/69/1076308769.db2.gz CVEOEDAAKWBCJM-WPBBSXQFSA-N 2 2 408.612 1.919 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164698594 719838737 /nfs/dbraw/zinc/83/87/37/719838737.db2.gz FWFBLRDLLSBABT-YJYMSZOUSA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164704138 719860552 /nfs/dbraw/zinc/86/05/52/719860552.db2.gz RTRINJAWHOLFSZ-PGRDOPGGSA-N 2 2 417.554 1.066 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nccc(C2CC[NH2+]CC2)n1 ZINC001164703207 719862720 /nfs/dbraw/zinc/86/27/20/719862720.db2.gz PLJPNMXATDWVSU-DYESRHJHSA-N 2 2 403.527 1.176 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@H](C(=O)N5CCCCO5)[C@H]4C3)[nH+]2)CC1 ZINC001164707486 719917698 /nfs/dbraw/zinc/91/76/98/719917698.db2.gz RKDKFEXQJHANNO-CEXWTWQISA-N 2 2 415.538 1.086 20 0 HDADLP CN(C)c1cc[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164825605 720451168 /nfs/dbraw/zinc/45/11/68/720451168.db2.gz SOWGPANSVMNSRI-QGZVFWFLSA-N 2 2 400.527 1.334 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1NCC1CC1 ZINC001164876074 721260600 /nfs/dbraw/zinc/26/06/00/721260600.db2.gz NNJPRDMHDCLKAS-UHFFFAOYSA-N 2 2 416.570 1.614 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1NCC1CC1 ZINC001164876074 721260604 /nfs/dbraw/zinc/26/06/04/721260604.db2.gz NNJPRDMHDCLKAS-UHFFFAOYSA-N 2 2 416.570 1.614 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1N1CCCC1 ZINC001164874209 721261045 /nfs/dbraw/zinc/26/10/45/721261045.db2.gz JOSAPQLGUFYPML-UHFFFAOYSA-N 2 2 416.570 1.392 20 0 HDADLP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc1N1CCCC1 ZINC001164874209 721261048 /nfs/dbraw/zinc/26/10/48/721261048.db2.gz JOSAPQLGUFYPML-UHFFFAOYSA-N 2 2 416.570 1.392 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4OCC(=O)N(c5cccc(F)c5)[C@H]4C3)[nH+]2)CC1 ZINC001164885707 721364939 /nfs/dbraw/zinc/36/49/39/721364939.db2.gz YOFJYDONSRTHAU-OALUTQOASA-N 2 2 411.481 1.593 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@]4(COc4ncccc4F)C3)[nH+]2)CC1 ZINC001164791694 721487171 /nfs/dbraw/zinc/48/71/71/721487171.db2.gz DUFTYYSNQLOSFV-VGSWGCGISA-N 2 2 413.497 1.899 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c12 ZINC001164794229 721510863 /nfs/dbraw/zinc/51/08/63/721510863.db2.gz LTCXTDPSTWANII-UHFFFAOYSA-N 2 2 424.509 1.099 20 0 HDADLP c1cncc(C[N@@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164981040 722129074 /nfs/dbraw/zinc/12/90/74/722129074.db2.gz SEQDDBITKPTWGQ-UXHICEINSA-N 2 2 410.522 1.436 20 0 HDADLP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@@H]3C2)c1 ZINC001164981040 722129076 /nfs/dbraw/zinc/12/90/76/722129076.db2.gz SEQDDBITKPTWGQ-UXHICEINSA-N 2 2 410.522 1.436 20 0 HDADLP COCCO[C@@H]1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]1Cc1cnn(C)c1 ZINC001164998729 722224059 /nfs/dbraw/zinc/22/40/59/722224059.db2.gz DYVJUCCJJJYZNV-WOJBJXKFSA-N 2 2 414.554 1.420 20 0 HDADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000429053875 1073476924 /nfs/dbraw/zinc/47/69/24/1073476924.db2.gz NZQJSMRHHVLDLE-LJQANCHMSA-N 2 2 406.596 1.702 20 0 HDADLP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000429053875 1073476931 /nfs/dbraw/zinc/47/69/31/1073476931.db2.gz NZQJSMRHHVLDLE-LJQANCHMSA-N 2 2 406.596 1.702 20 0 HDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000766023918 1073660191 /nfs/dbraw/zinc/66/01/91/1073660191.db2.gz QTQVKLXLDZRCHI-PMVMPFDFSA-N 2 2 402.583 1.272 20 0 HDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766023916 1073660217 /nfs/dbraw/zinc/66/02/17/1073660217.db2.gz QTQVKLXLDZRCHI-ACIOBRDBSA-N 2 2 402.583 1.272 20 0 HDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158195 1074195637 /nfs/dbraw/zinc/19/56/37/1074195637.db2.gz KPSAUEGRXAYPJT-AEFFLSMTSA-N 2 2 403.575 1.923 20 0 HDADLP CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158195 1074195641 /nfs/dbraw/zinc/19/56/41/1074195641.db2.gz KPSAUEGRXAYPJT-AEFFLSMTSA-N 2 2 403.575 1.923 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274760 1074253871 /nfs/dbraw/zinc/25/38/71/1074253871.db2.gz ZCMZYSGSNNQYRA-QFBILLFUSA-N 2 2 419.957 1.913 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000674274760 1074253878 /nfs/dbraw/zinc/25/38/78/1074253878.db2.gz ZCMZYSGSNNQYRA-QFBILLFUSA-N 2 2 419.957 1.913 20 0 HDADLP COC1CC[NH+](CCNC(=O)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000674320467 1074270435 /nfs/dbraw/zinc/27/04/35/1074270435.db2.gz JNGLPZZKJAEDRM-QGZVFWFLSA-N 2 2 418.538 1.245 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778543 1074553346 /nfs/dbraw/zinc/55/33/46/1074553346.db2.gz LBGOXOMVTWJWTP-KSSFIOAISA-N 2 2 421.492 1.538 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCN(c4c(F)cccc4F)C3=O)C2)CC1 ZINC000674778543 1074553353 /nfs/dbraw/zinc/55/33/53/1074553353.db2.gz LBGOXOMVTWJWTP-KSSFIOAISA-N 2 2 421.492 1.538 20 0 HDADLP O=S(=O)(CC[NH2+][C@@H]1CCN(c2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000674879930 1074600585 /nfs/dbraw/zinc/60/05/85/1074600585.db2.gz LSCDBGYXUNARHM-LJQANCHMSA-N 2 2 415.563 1.402 20 0 HDADLP COC(=O)CCc1nnc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000438325147 1074723126 /nfs/dbraw/zinc/72/31/26/1074723126.db2.gz HZSKRGRWGWJZQK-UHFFFAOYSA-N 2 2 424.571 1.716 20 0 HDADLP C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C2)CC1 ZINC000543614313 1074729799 /nfs/dbraw/zinc/72/97/99/1074729799.db2.gz DUMJIKCGNPHZET-SFHVURJKSA-N 2 2 414.554 1.665 20 0 HDADLP CN(C(=O)Cc1ccc(O)cc1Cl)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000509322918 1074798516 /nfs/dbraw/zinc/79/85/16/1074798516.db2.gz YQRQVXOVWRENTA-UHFFFAOYSA-N 2 2 422.957 1.285 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325857 1074807516 /nfs/dbraw/zinc/80/75/16/1074807516.db2.gz SHYVUNXCKHVXGS-HXUWFJFHSA-N 2 2 401.551 1.981 20 0 HDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CC2)OCc2ccccc23)C1 ZINC000675325857 1074807523 /nfs/dbraw/zinc/80/75/23/1074807523.db2.gz SHYVUNXCKHVXGS-HXUWFJFHSA-N 2 2 401.551 1.981 20 0 HDADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000675499603 1075180441 /nfs/dbraw/zinc/18/04/41/1075180441.db2.gz NWTORRRONJSJPL-HZPDHXFCSA-N 2 2 417.535 1.117 20 0 HDADLP CC(C)CCNC(=O)C1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000675499933 1075180462 /nfs/dbraw/zinc/18/04/62/1075180462.db2.gz KAQBFHZQEZEBNS-UHFFFAOYSA-N 2 2 401.555 1.605 20 0 HDADLP O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443937677 1075186141 /nfs/dbraw/zinc/18/61/41/1075186141.db2.gz NIYYDMFURNDKPD-UHFFFAOYSA-N 2 2 418.586 2.335 20 0 HDADLP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000675538044 1075194979 /nfs/dbraw/zinc/19/49/79/1075194979.db2.gz PZQUUNUASKNUOH-UTKZUKDTSA-N 2 2 404.530 1.706 20 0 HDADLP Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675562562 1075203774 /nfs/dbraw/zinc/20/37/74/1075203774.db2.gz LCCAMPBPSCNSKO-HXUWFJFHSA-N 2 2 404.530 1.420 20 0 HDADLP Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675562562 1075203778 /nfs/dbraw/zinc/20/37/78/1075203778.db2.gz LCCAMPBPSCNSKO-HXUWFJFHSA-N 2 2 404.530 1.420 20 0 HDADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000676088519 1075371646 /nfs/dbraw/zinc/37/16/46/1075371646.db2.gz BAZREVBQWKBNJL-INIZCTEOSA-N 2 2 404.474 1.769 20 0 HDADLP C[C@@H](CNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)[N@H+]1CCc2ccccc2C1 ZINC000676088519 1075371652 /nfs/dbraw/zinc/37/16/52/1075371652.db2.gz BAZREVBQWKBNJL-INIZCTEOSA-N 2 2 404.474 1.769 20 0 HDADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090129 1075375224 /nfs/dbraw/zinc/37/52/24/1075375224.db2.gz QRIDZEZJSOTNOS-FQEVSTJZSA-N 2 2 420.473 1.223 20 0 HDADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676090129 1075375230 /nfs/dbraw/zinc/37/52/30/1075375230.db2.gz QRIDZEZJSOTNOS-FQEVSTJZSA-N 2 2 420.473 1.223 20 0 HDADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683658 1075468269 /nfs/dbraw/zinc/46/82/69/1075468269.db2.gz IJDWWFKDPAPEKQ-PXNSSMCTSA-N 2 2 422.595 1.630 20 0 HDADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683658 1075468274 /nfs/dbraw/zinc/46/82/74/1075468274.db2.gz IJDWWFKDPAPEKQ-PXNSSMCTSA-N 2 2 422.595 1.630 20 0 HDADLP CC(C)(C)OC(=O)Nc1ncc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)s1 ZINC000800239578 1075575609 /nfs/dbraw/zinc/57/56/09/1075575609.db2.gz SCWAMHDPRZPQAE-OAHLLOKOSA-N 2 2 411.572 1.986 20 0 HDADLP Cc1onc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000577205734 1075578428 /nfs/dbraw/zinc/57/84/28/1075578428.db2.gz XQQHLAAPMPOLCO-MSOLQXFVSA-N 2 2 405.543 2.026 20 0 HDADLP Cc1onc(NC(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000577205734 1075578433 /nfs/dbraw/zinc/57/84/33/1075578433.db2.gz XQQHLAAPMPOLCO-MSOLQXFVSA-N 2 2 405.543 2.026 20 0 HDADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000676719499 1075654987 /nfs/dbraw/zinc/65/49/87/1075654987.db2.gz GPFJNVAUXNEXSC-FQEVSTJZSA-N 2 2 416.566 1.194 20 0 HDADLP COCC[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000676719499 1075654992 /nfs/dbraw/zinc/65/49/92/1075654992.db2.gz GPFJNVAUXNEXSC-FQEVSTJZSA-N 2 2 416.566 1.194 20 0 HDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467838 1075755437 /nfs/dbraw/zinc/75/54/37/1075755437.db2.gz YUURVYZRHDDLRP-NJDAHSKKSA-N 2 2 402.539 1.092 20 0 HDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467838 1075755440 /nfs/dbraw/zinc/75/54/40/1075755440.db2.gz YUURVYZRHDDLRP-NJDAHSKKSA-N 2 2 402.539 1.092 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779214 1075863428 /nfs/dbraw/zinc/86/34/28/1075863428.db2.gz ASBDQNGVJFANGI-GNJLHFKMSA-N 2 2 406.552 1.356 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\c3ccc(NS(C)(=O)=O)cc3)C2)CC1 ZINC000732779214 1075863432 /nfs/dbraw/zinc/86/34/32/1075863432.db2.gz ASBDQNGVJFANGI-GNJLHFKMSA-N 2 2 406.552 1.356 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782741 1075867725 /nfs/dbraw/zinc/86/77/25/1075867725.db2.gz ZCHVNARPDXZLHD-ZWKOTPCHSA-N 2 2 418.969 1.973 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C2)CC1 ZINC000732782741 1075867731 /nfs/dbraw/zinc/86/77/31/1075867731.db2.gz ZCHVNARPDXZLHD-ZWKOTPCHSA-N 2 2 418.969 1.973 20 0 HDADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732885617 1075891437 /nfs/dbraw/zinc/89/14/37/1075891437.db2.gz CCRLPBLBWIEMIB-INIZCTEOSA-N 2 2 419.492 1.350 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c(=O)[nH]c21 ZINC000733164436 1075997851 /nfs/dbraw/zinc/99/78/51/1075997851.db2.gz SRXZIHWMDYTEKL-VOTSOKGWSA-N 2 2 414.554 1.803 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c(=O)[nH]c21 ZINC000733164436 1075997852 /nfs/dbraw/zinc/99/78/52/1075997852.db2.gz SRXZIHWMDYTEKL-VOTSOKGWSA-N 2 2 414.554 1.803 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](NC(=O)CC4CC4)[C@@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164654803 719325416 /nfs/dbraw/zinc/32/54/16/719325416.db2.gz MYWSFLFSNPQKPK-YCRNBWNJSA-N 2 2 413.566 1.734 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@H](C(=O)N5CCCCO5)[C@@H]4C3)[nH+]2)CC1 ZINC001164707488 719917802 /nfs/dbraw/zinc/91/78/02/719917802.db2.gz RKDKFEXQJHANNO-QRVBRYPASA-N 2 2 415.538 1.086 20 0 HDADLP Cc1c[nH+]c(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc1NC1CC1 ZINC001164711278 720163938 /nfs/dbraw/zinc/16/39/38/720163938.db2.gz ASGOHQVIGPTXIH-GOSISDBHSA-N 2 2 412.542 1.704 20 0 HDADLP CCOc1cc[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164824701 720449499 /nfs/dbraw/zinc/44/94/99/720449499.db2.gz PPZCUBBJJBDQEH-QGZVFWFLSA-N 2 2 401.511 1.666 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](CCOC)CCO[C@@H]4C3)c12 ZINC001164851357 720842973 /nfs/dbraw/zinc/84/29/73/720842973.db2.gz GUOQMAJBVWJJFJ-GDBMZVCRSA-N 2 2 403.483 1.308 20 0 HDADLP CCOC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)c12 ZINC001164851357 720842976 /nfs/dbraw/zinc/84/29/76/720842976.db2.gz GUOQMAJBVWJJFJ-GDBMZVCRSA-N 2 2 403.483 1.308 20 0 HDADLP O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164857764 720896466 /nfs/dbraw/zinc/89/64/66/720896466.db2.gz JQQKQQOIWLPMHK-UHFFFAOYSA-N 2 2 405.506 1.889 20 0 HDADLP C[N@H+](Cc1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1)C1CC1 ZINC001164855805 720896508 /nfs/dbraw/zinc/89/65/08/720896508.db2.gz CEOFAJOUKGEUKG-UHFFFAOYSA-N 2 2 405.506 1.888 20 0 HDADLP C[N@@H+](Cc1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1)C1CC1 ZINC001164855805 720896511 /nfs/dbraw/zinc/89/65/11/720896511.db2.gz CEOFAJOUKGEUKG-UHFFFAOYSA-N 2 2 405.506 1.888 20 0 HDADLP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891885 721390686 /nfs/dbraw/zinc/39/06/86/721390686.db2.gz RDGMGZPKJVDBAZ-KKSFZXQISA-N 2 2 420.989 1.541 20 0 HDADLP Cc1nc(N(C)C)nc2c1COC[C@]21CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001164807646 721606537 /nfs/dbraw/zinc/60/65/37/721606537.db2.gz WERYOQRYPSRJOY-HSZRJFAPSA-N 2 2 423.565 1.676 20 0 HDADLP Cc1cc(N2CCCC2)nc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164909505 721766532 /nfs/dbraw/zinc/76/65/32/721766532.db2.gz BQIKKMFLAYARAV-HSZRJFAPSA-N 2 2 424.549 1.888 20 0 HDADLP Cc1cc(N2CCCC2)nc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164909505 721766534 /nfs/dbraw/zinc/76/65/34/721766534.db2.gz BQIKKMFLAYARAV-HSZRJFAPSA-N 2 2 424.549 1.888 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@]4(COCc4ccccn4)C3)[nH+]2)CC1 ZINC001164925210 721839413 /nfs/dbraw/zinc/83/94/13/721839413.db2.gz ODBAICLACRAQAC-XXBNENTESA-N 2 2 409.534 1.898 20 0 HDADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc(N2CCCC2)[nH+]c(N2CCCC2)n1 ZINC001164933280 721877512 /nfs/dbraw/zinc/87/75/12/721877512.db2.gz LJRULBRWNUTBAY-ROUUACIJSA-N 2 2 400.575 1.287 20 0 HDADLP CCOC1CC(CNC(=O)NCc2ccc(F)c(C[NH+](C)C)c2)([NH+]2CCOCC2)C1 ZINC000429102430 1073583537 /nfs/dbraw/zinc/58/35/37/1073583537.db2.gz ITYMPWLNYCOPQY-UHFFFAOYSA-N 2 2 422.545 1.956 20 0 HDADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(S(N)(=O)=O)c1C ZINC000673669279 1073622461 /nfs/dbraw/zinc/62/24/61/1073622461.db2.gz GWXBNPFCKNTDFF-SFHVURJKSA-N 2 2 408.568 1.191 20 0 HDADLP Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(S(N)(=O)=O)c1C ZINC000673669279 1073622464 /nfs/dbraw/zinc/62/24/64/1073622464.db2.gz GWXBNPFCKNTDFF-SFHVURJKSA-N 2 2 408.568 1.191 20 0 HDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766023398 1073670358 /nfs/dbraw/zinc/67/03/58/1073670358.db2.gz MRQWOBRYVSQCGJ-NVXWUHKLSA-N 2 2 417.522 1.740 20 0 HDADLP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000673785710 1073726986 /nfs/dbraw/zinc/72/69/86/1073726986.db2.gz XUGFHBYAGKCJCE-FQEVSTJZSA-N 2 2 418.538 1.279 20 0 HDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000674395779 1074310159 /nfs/dbraw/zinc/31/01/59/1074310159.db2.gz FOKQLHXKURRDOR-NHCUHLMSSA-N 2 2 404.555 1.233 20 0 HDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000674395779 1074310166 /nfs/dbraw/zinc/31/01/66/1074310166.db2.gz FOKQLHXKURRDOR-NHCUHLMSSA-N 2 2 404.555 1.233 20 0 HDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674397628 1074311104 /nfs/dbraw/zinc/31/11/04/1074311104.db2.gz HAWHOXNTKSPJAR-RTWAWAEBSA-N 2 2 404.555 1.548 20 0 HDADLP COc1cc(OC)cc(OCCCNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000674699982 1074528783 /nfs/dbraw/zinc/52/87/83/1074528783.db2.gz XWGADZKVRSTVOH-KRWDZBQOSA-N 2 2 420.554 1.940 20 0 HDADLP COc1cc(OC)cc(OCCCNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000674699982 1074528788 /nfs/dbraw/zinc/52/87/88/1074528788.db2.gz XWGADZKVRSTVOH-KRWDZBQOSA-N 2 2 420.554 1.940 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000675190058 1074752204 /nfs/dbraw/zinc/75/22/04/1074752204.db2.gz HEPUWKHZTDVLPR-GOSISDBHSA-N 2 2 402.539 1.858 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000675190058 1074752210 /nfs/dbraw/zinc/75/22/10/1074752210.db2.gz HEPUWKHZTDVLPR-GOSISDBHSA-N 2 2 402.539 1.858 20 0 HDADLP C[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000675264972 1074774827 /nfs/dbraw/zinc/77/48/27/1074774827.db2.gz XJOAPHVOOKQHBP-MRXNPFEDSA-N 2 2 417.554 1.105 20 0 HDADLP [NH3+]Cc1nc(=O)[nH]n1-c1ncc2c(c1F)COC21CC[NH+](Cc2ccccc2)CC1 ZINC001168756138 1075090916 /nfs/dbraw/zinc/09/09/16/1075090916.db2.gz MECQHNZJBYHNLB-UHFFFAOYSA-N 2 2 410.453 1.987 20 0 HDADLP C[NH+]1CCC(CNC(=O)NCCn2c3ccccc3[nH]c2=O)([NH+]2CCCCC2)CC1 ZINC000429336464 1075108695 /nfs/dbraw/zinc/10/86/95/1075108695.db2.gz VHNPMUZDYZPSKV-UHFFFAOYSA-N 2 2 414.554 1.991 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497056 1075177381 /nfs/dbraw/zinc/17/73/81/1075177381.db2.gz UPCSWFWEWFEPMM-RTBURBONSA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497056 1075177382 /nfs/dbraw/zinc/17/73/82/1075177382.db2.gz UPCSWFWEWFEPMM-RTBURBONSA-N 2 2 405.587 1.635 20 0 HDADLP CS(=O)(=O)N1CCC([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000675830843 1075279663 /nfs/dbraw/zinc/27/96/63/1075279663.db2.gz KSBYOLHAEARCRC-UHFFFAOYSA-N 2 2 415.003 1.866 20 0 HDADLP Cn1cc[nH+]c1C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000675996170 1075320142 /nfs/dbraw/zinc/32/01/42/1075320142.db2.gz GRKQKMVLJZVGKW-VQTJNVASSA-N 2 2 424.549 1.652 20 0 HDADLP Cn1cc[nH+]c1C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000675996170 1075320146 /nfs/dbraw/zinc/32/01/46/1075320146.db2.gz GRKQKMVLJZVGKW-VQTJNVASSA-N 2 2 424.549 1.652 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047877 1075340172 /nfs/dbraw/zinc/34/01/72/1075340172.db2.gz VPLDKZHSBQFUSD-SESVDKBCSA-N 3 2 407.603 1.222 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047877 1075340176 /nfs/dbraw/zinc/34/01/76/1075340176.db2.gz VPLDKZHSBQFUSD-SESVDKBCSA-N 3 2 407.603 1.222 20 0 HDADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088549 1075371074 /nfs/dbraw/zinc/37/10/74/1075371074.db2.gz AZBNKPXKISESOS-UHFFFAOYSA-N 2 2 420.473 1.354 20 0 HDADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000676090509 1075374952 /nfs/dbraw/zinc/37/49/52/1075374952.db2.gz RILXGJKNCKHRMW-GASCZTMLSA-N 2 2 400.483 1.210 20 0 HDADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H](C)O1 ZINC000676090509 1075374956 /nfs/dbraw/zinc/37/49/56/1075374956.db2.gz RILXGJKNCKHRMW-GASCZTMLSA-N 2 2 400.483 1.210 20 0 HDADLP C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243049 1075444052 /nfs/dbraw/zinc/44/40/52/1075444052.db2.gz GVVAWQQKJJTSNI-IFMALSPDSA-N 2 2 417.598 1.603 20 0 HDADLP C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243049 1075444056 /nfs/dbraw/zinc/44/40/56/1075444056.db2.gz GVVAWQQKJJTSNI-IFMALSPDSA-N 2 2 417.598 1.603 20 0 HDADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246460 1075447952 /nfs/dbraw/zinc/44/79/52/1075447952.db2.gz UKIAXOPFZJSAAX-XLIONFOSSA-N 2 2 423.989 1.870 20 0 HDADLP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246460 1075447957 /nfs/dbraw/zinc/44/79/57/1075447957.db2.gz UKIAXOPFZJSAAX-XLIONFOSSA-N 2 2 423.989 1.870 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676263492 1075462920 /nfs/dbraw/zinc/46/29/20/1075462920.db2.gz DDNHVXVELUNYSA-OXJNMPFZSA-N 2 2 405.543 1.678 20 0 HDADLP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676263492 1075462926 /nfs/dbraw/zinc/46/29/26/1075462926.db2.gz DDNHVXVELUNYSA-OXJNMPFZSA-N 2 2 405.543 1.678 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501180 1075569864 /nfs/dbraw/zinc/56/98/64/1075569864.db2.gz PIQANGCQKRITBW-DZGCQCFKSA-N 2 2 405.465 1.007 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501180 1075569867 /nfs/dbraw/zinc/56/98/67/1075569867.db2.gz PIQANGCQKRITBW-DZGCQCFKSA-N 2 2 405.465 1.007 20 0 HDADLP C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000732206491 1075664444 /nfs/dbraw/zinc/66/44/44/1075664444.db2.gz BICKZAIFTYYCGF-KRWDZBQOSA-N 2 2 405.543 1.965 20 0 HDADLP C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000732206491 1075664445 /nfs/dbraw/zinc/66/44/45/1075664445.db2.gz BICKZAIFTYYCGF-KRWDZBQOSA-N 2 2 405.543 1.965 20 0 HDADLP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1 ZINC000676744365 1075668845 /nfs/dbraw/zinc/66/88/45/1075668845.db2.gz LPSHUROXHBKIGZ-FQEVSTJZSA-N 2 2 423.521 1.754 20 0 HDADLP Nc1nccc([C@H]2CCC[N@H+](CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2)n1 ZINC000558738111 1075726450 /nfs/dbraw/zinc/72/64/50/1075726450.db2.gz MPSMWKMDALBGKP-SFHVURJKSA-N 2 2 416.570 1.390 20 0 HDADLP Nc1nccc([C@H]2CCC[N@@H+](CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2)n1 ZINC000558738111 1075726456 /nfs/dbraw/zinc/72/64/56/1075726456.db2.gz MPSMWKMDALBGKP-SFHVURJKSA-N 2 2 416.570 1.390 20 0 HDADLP CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558571 1075785588 /nfs/dbraw/zinc/78/55/88/1075785588.db2.gz BRQMOSSTDGVUPO-ZGBFETHSSA-N 2 2 420.579 1.698 20 0 HDADLP CN(C(=O)/C=C/c1ccc(NS(C)(=O)=O)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558571 1075785590 /nfs/dbraw/zinc/78/55/90/1075785590.db2.gz BRQMOSSTDGVUPO-ZGBFETHSSA-N 2 2 420.579 1.698 20 0 HDADLP CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732562546 1075789087 /nfs/dbraw/zinc/78/90/87/1075789087.db2.gz GIGTUZDZNZJOPQ-OAHLLOKOSA-N 2 2 420.608 1.922 20 0 HDADLP CN(C(=O)CN1C(=S)N=NC1c1cccs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732562546 1075789090 /nfs/dbraw/zinc/78/90/90/1075789090.db2.gz GIGTUZDZNZJOPQ-OAHLLOKOSA-N 2 2 420.608 1.922 20 0 HDADLP Cc1csc([C@@](O)(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779156 1075863816 /nfs/dbraw/zinc/86/38/16/1075863816.db2.gz RDNSSUNVGYONFG-GUYCJALGSA-N 2 2 420.501 1.876 20 0 HDADLP Cc1csc([C@@](O)(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779156 1075863822 /nfs/dbraw/zinc/86/38/22/1075863822.db2.gz RDNSSUNVGYONFG-GUYCJALGSA-N 2 2 420.501 1.876 20 0 HDADLP COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1C1CC1 ZINC000611544304 1075959089 /nfs/dbraw/zinc/95/90/89/1075959089.db2.gz NYQUAJAMCSPXFW-QGZVFWFLSA-N 2 2 415.538 1.713 20 0 HDADLP COC(=O)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1C1CC1 ZINC000611544304 1075959093 /nfs/dbraw/zinc/95/90/93/1075959093.db2.gz NYQUAJAMCSPXFW-QGZVFWFLSA-N 2 2 415.538 1.713 20 0 HDADLP Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000733163754 1075996343 /nfs/dbraw/zinc/99/63/43/1075996343.db2.gz ICWPTDHBPYGMHG-HMMYKYKNSA-N 2 2 415.517 1.603 20 0 HDADLP Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000733163754 1075996347 /nfs/dbraw/zinc/99/63/47/1075996347.db2.gz ICWPTDHBPYGMHG-HMMYKYKNSA-N 2 2 415.517 1.603 20 0 HDADLP Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000733163753 1075996365 /nfs/dbraw/zinc/99/63/65/1075996365.db2.gz ICWPTDHBPYGMHG-HKWRFOASSA-N 2 2 415.517 1.603 20 0 HDADLP Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000733163753 1075996368 /nfs/dbraw/zinc/99/63/68/1075996368.db2.gz ICWPTDHBPYGMHG-HKWRFOASSA-N 2 2 415.517 1.603 20 0 HDADLP CCOC(=O)N(C)C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000727033795 1076029219 /nfs/dbraw/zinc/02/92/19/1076029219.db2.gz WRBYUAKKLALDNP-UHFFFAOYSA-N 2 2 409.575 1.807 20 0 HDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 ZINC000727323747 1076093344 /nfs/dbraw/zinc/09/33/44/1076093344.db2.gz YUBUDILRYXARDQ-MRXNPFEDSA-N 2 2 416.522 1.618 20 0 HDADLP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646540 1076139122 /nfs/dbraw/zinc/13/91/22/1076139122.db2.gz NKSCQWNKIOSCTB-RBUKOAKNSA-N 2 2 404.555 1.906 20 0 HDADLP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646540 1076139127 /nfs/dbraw/zinc/13/91/27/1076139127.db2.gz NKSCQWNKIOSCTB-RBUKOAKNSA-N 2 2 404.555 1.906 20 0 HDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000533833755 1076246123 /nfs/dbraw/zinc/24/61/23/1076246123.db2.gz ZCLCOQUKTZKWNT-FGZHOGPDSA-N 2 2 422.529 1.609 20 0 HDADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)COCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000533833755 1076246127 /nfs/dbraw/zinc/24/61/27/1076246127.db2.gz ZCLCOQUKTZKWNT-FGZHOGPDSA-N 2 2 422.529 1.609 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC000534559005 1076248375 /nfs/dbraw/zinc/24/83/75/1076248375.db2.gz BTDVQJDSAOSTCI-NRFANRHFSA-N 2 2 413.566 1.759 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC000534559005 1076248378 /nfs/dbraw/zinc/24/83/78/1076248378.db2.gz BTDVQJDSAOSTCI-NRFANRHFSA-N 2 2 413.566 1.759 20 0 HDADLP CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000728024809 1076308792 /nfs/dbraw/zinc/30/87/92/1076308792.db2.gz CVEOEDAAKWBCJM-ONGAVZMUSA-N 2 2 408.612 1.919 20 0 HDADLP CN(C(=O)/C=C/c1cccc(F)c1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729981152 1076405816 /nfs/dbraw/zinc/40/58/16/1076405816.db2.gz XJXMYRNGHWHVNL-VOTSOKGWSA-N 2 2 402.514 1.536 20 0 HDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4ncc(C)cc4C[NH3+])CC3)C2=O)cs1 ZINC001164821125 720376627 /nfs/dbraw/zinc/37/66/27/720376627.db2.gz WTEXLPSWQDNUPG-UHFFFAOYSA-N 2 2 414.579 1.927 20 0 HDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4ncc(C)cc4C[NH3+])CC3)C2=O)cs1 ZINC001164821125 720376631 /nfs/dbraw/zinc/37/66/31/720376631.db2.gz WTEXLPSWQDNUPG-UHFFFAOYSA-N 2 2 414.579 1.927 20 0 HDADLP Cn1ccc2c1cc[nH+]c2N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1 ZINC001164825747 720440760 /nfs/dbraw/zinc/44/07/60/720440760.db2.gz URRPPYHXCCXXLL-QGZVFWFLSA-N 2 2 410.522 1.759 20 0 HDADLP CC(C)[N@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836803 720569322 /nfs/dbraw/zinc/56/93/22/720569322.db2.gz KYFGBRRLUWGDHY-SLFFLAALSA-N 2 2 411.554 1.888 20 0 HDADLP CC(C)[N@@H+]1[C@@H]2CCN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164836803 720569336 /nfs/dbraw/zinc/56/93/36/720569336.db2.gz KYFGBRRLUWGDHY-SLFFLAALSA-N 2 2 411.554 1.888 20 0 HDADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]2CCCO[C@@H]21 ZINC001164761630 721065502 /nfs/dbraw/zinc/06/55/02/721065502.db2.gz CGEXNYRSNPQVPO-NJNPRVFISA-N 2 2 424.549 1.338 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CN(C(=O)c5ccccc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164882732 721350769 /nfs/dbraw/zinc/35/07/69/721350769.db2.gz HNWLDJXHXFMXDD-NHCUHLMSSA-N 2 2 421.545 1.811 20 0 HDADLP CCc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164783440 721418528 /nfs/dbraw/zinc/41/85/28/721418528.db2.gz IQEAXEJFNSRRDK-HOTGVXAUSA-N 2 2 400.552 1.900 20 0 HDADLP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cccc(N5CCOCC5)[nH+]4)C3)O2)CC1 ZINC001164896635 721426380 /nfs/dbraw/zinc/42/63/80/721426380.db2.gz RQCGJOXIBUFNDK-NZQKXSOJSA-N 2 2 415.582 1.684 20 0 HDADLP CCN(C)c1cc(C)[nH+]c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1 ZINC001164911131 721766387 /nfs/dbraw/zinc/76/63/87/721766387.db2.gz MUNSAMQBQAGGJO-JOCHJYFZSA-N 2 2 412.538 1.744 20 0 HDADLP CCN(C)c1cc(C)[nH+]c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1 ZINC001164911131 721766389 /nfs/dbraw/zinc/76/63/89/721766389.db2.gz MUNSAMQBQAGGJO-JOCHJYFZSA-N 2 2 412.538 1.744 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)[nH+]2)CC1 ZINC001165050150 721981023 /nfs/dbraw/zinc/98/10/23/721981023.db2.gz QEEXUJSEVDLRNH-HXUWFJFHSA-N 2 2 423.517 1.322 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164980526 722129034 /nfs/dbraw/zinc/12/90/34/722129034.db2.gz RRCOPFNWPJSVFY-FGZHOGPDSA-N 3 2 422.577 1.956 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164980526 722129036 /nfs/dbraw/zinc/12/90/36/722129036.db2.gz RRCOPFNWPJSVFY-FGZHOGPDSA-N 3 2 422.577 1.956 20 0 HDADLP COCCO[C@H]1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@H]1Cc1cnn(C)c1 ZINC001164998726 722224138 /nfs/dbraw/zinc/22/41/38/722224138.db2.gz DYVJUCCJJJYZNV-PMACEKPBSA-N 2 2 414.554 1.420 20 0 HDADLP Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc(N2CCCC2)[nH+]1 ZINC001164996445 722229924 /nfs/dbraw/zinc/22/99/24/722229924.db2.gz HPKBYULZUPWUPI-UHFFFAOYSA-N 2 2 408.554 1.532 20 0 HDADLP Cc1nc(N2CCCC2)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH+]1 ZINC001164996445 722229925 /nfs/dbraw/zinc/22/99/25/722229925.db2.gz HPKBYULZUPWUPI-UHFFFAOYSA-N 2 2 408.554 1.532 20 0 HDADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669471 1073621647 /nfs/dbraw/zinc/62/16/47/1073621647.db2.gz QZSNNMQLIBWQHV-MRXNPFEDSA-N 2 2 414.554 1.508 20 0 HDADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669471 1073621651 /nfs/dbraw/zinc/62/16/51/1073621651.db2.gz QZSNNMQLIBWQHV-MRXNPFEDSA-N 2 2 414.554 1.508 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670095 1073624590 /nfs/dbraw/zinc/62/45/90/1073624590.db2.gz ZFPFRFBDFFBYCO-PKOBYXMFSA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670095 1073624594 /nfs/dbraw/zinc/62/45/94/1073624594.db2.gz ZFPFRFBDFFBYCO-PKOBYXMFSA-N 2 2 405.587 1.635 20 0 HDADLP Cc1cccn2cc(CCNC(=O)C(=O)Nc3cccc(OCC[NH+](C)C)c3)[nH+]c12 ZINC000673787854 1073741316 /nfs/dbraw/zinc/74/13/16/1073741316.db2.gz BLPTVJNAHFLWDK-UHFFFAOYSA-N 2 2 409.490 1.881 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)cn1 ZINC000673869768 1073833651 /nfs/dbraw/zinc/83/36/51/1073833651.db2.gz UOUNUGNCXCAXPA-IBGZPJMESA-N 2 2 400.527 1.510 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509187986 1073994618 /nfs/dbraw/zinc/99/46/18/1073994618.db2.gz YLLUIMWELGAZRH-ZWKOTPCHSA-N 2 2 400.527 1.844 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509187986 1073994621 /nfs/dbraw/zinc/99/46/21/1073994621.db2.gz YLLUIMWELGAZRH-ZWKOTPCHSA-N 2 2 400.527 1.844 20 0 HDADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](c2ccccc2)C1 ZINC000059297522 1074135440 /nfs/dbraw/zinc/13/54/40/1074135440.db2.gz HSBZOPSTGWPHGY-NRFANRHFSA-N 2 2 423.565 1.687 20 0 HDADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](c2ccccc2)C1 ZINC000059297522 1074135445 /nfs/dbraw/zinc/13/54/45/1074135445.db2.gz HSBZOPSTGWPHGY-NRFANRHFSA-N 2 2 423.565 1.687 20 0 HDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674202746 1074218051 /nfs/dbraw/zinc/21/80/51/1074218051.db2.gz DMRFYNSLXMRXQD-GOSISDBHSA-N 2 2 412.494 1.576 20 0 HDADLP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674369085 1074298035 /nfs/dbraw/zinc/29/80/35/1074298035.db2.gz WVHSCUOOMXCZGA-WOJBJXKFSA-N 2 2 419.566 1.705 20 0 HDADLP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000674369085 1074298043 /nfs/dbraw/zinc/29/80/43/1074298043.db2.gz WVHSCUOOMXCZGA-WOJBJXKFSA-N 2 2 419.566 1.705 20 0 HDADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000674397626 1074311181 /nfs/dbraw/zinc/31/11/81/1074311181.db2.gz HAWHOXNTKSPJAR-NHCUHLMSSA-N 2 2 404.555 1.548 20 0 HDADLP Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700020 1074528602 /nfs/dbraw/zinc/52/86/02/1074528602.db2.gz ZYOCECSBTBBQQC-FQEVSTJZSA-N 2 2 415.582 1.799 20 0 HDADLP Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700020 1074528610 /nfs/dbraw/zinc/52/86/10/1074528610.db2.gz ZYOCECSBTBBQQC-FQEVSTJZSA-N 2 2 415.582 1.799 20 0 HDADLP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670481525 1074534774 /nfs/dbraw/zinc/53/47/74/1074534774.db2.gz MMXJHDTZWHTPPH-SFHVURJKSA-N 3 2 407.603 1.039 20 0 HDADLP CN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670481525 1074534780 /nfs/dbraw/zinc/53/47/80/1074534780.db2.gz MMXJHDTZWHTPPH-SFHVURJKSA-N 3 2 407.603 1.039 20 0 HDADLP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000674882515 1074601055 /nfs/dbraw/zinc/60/10/55/1074601055.db2.gz OSUZSLJOWSGITC-QHCPKHFHSA-N 3 2 415.626 1.715 20 0 HDADLP C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccnc(C(=O)N4CC[NH+](C)CC4)c3)C2)CC1 ZINC000543614312 1074729311 /nfs/dbraw/zinc/72/93/11/1074729311.db2.gz DUMJIKCGNPHZET-GOSISDBHSA-N 2 2 414.554 1.665 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NCC(C)(C)[NH+]3CCCCC3)ccn2)CC1 ZINC000543614894 1074751875 /nfs/dbraw/zinc/75/18/75/1074751875.db2.gz MHIWPURNVQNGRQ-UHFFFAOYSA-N 2 2 402.543 1.855 20 0 HDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000675196643 1074755071 /nfs/dbraw/zinc/75/50/71/1074755071.db2.gz GVDMPISQIUZMEL-GOSISDBHSA-N 2 2 417.558 1.019 20 0 HDADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000675196643 1074755078 /nfs/dbraw/zinc/75/50/78/1074755078.db2.gz GVDMPISQIUZMEL-GOSISDBHSA-N 2 2 417.558 1.019 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000670502721 1074816008 /nfs/dbraw/zinc/81/60/08/1074816008.db2.gz OACRLXNOLDDZTH-QFIPXVFZSA-N 2 2 423.561 1.344 20 0 HDADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000670503103 1074819642 /nfs/dbraw/zinc/81/96/42/1074819642.db2.gz CJWTUBUTEHRECS-QCFAMHMHSA-N 2 2 416.566 1.506 20 0 HDADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000675499159 1075179637 /nfs/dbraw/zinc/17/96/37/1075179637.db2.gz AEUSORUBDGRDSW-UHFFFAOYSA-N 2 2 407.518 1.625 20 0 HDADLP COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675606179 1075222284 /nfs/dbraw/zinc/22/22/84/1075222284.db2.gz XKODIAZWEJYAEM-SFHVURJKSA-N 2 2 418.538 1.061 20 0 HDADLP COc1cc(OC)cc(C(=O)NCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675606179 1075222286 /nfs/dbraw/zinc/22/22/86/1075222286.db2.gz XKODIAZWEJYAEM-SFHVURJKSA-N 2 2 418.538 1.061 20 0 HDADLP CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675606118 1075222612 /nfs/dbraw/zinc/22/26/12/1075222612.db2.gz WAROMJAQEXPYTA-INIZCTEOSA-N 2 2 424.492 1.645 20 0 HDADLP CN(C(=O)CNC(=O)c1ccccc1OC(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675606118 1075222616 /nfs/dbraw/zinc/22/26/16/1075222616.db2.gz WAROMJAQEXPYTA-INIZCTEOSA-N 2 2 424.492 1.645 20 0 HDADLP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)CC2)CC1 ZINC000543646078 1075279667 /nfs/dbraw/zinc/27/96/67/1075279667.db2.gz CEMNNMPBPWQTDI-UHFFFAOYSA-N 2 2 401.555 1.555 20 0 HDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)c(C)c1 ZINC000441783651 1075331433 /nfs/dbraw/zinc/33/14/33/1075331433.db2.gz BIAUBIYEFRQMFW-LJQANCHMSA-N 2 2 423.521 1.754 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047872 1075339839 /nfs/dbraw/zinc/33/98/39/1075339839.db2.gz VPLDKZHSBQFUSD-CEWLAPEOSA-N 3 2 407.603 1.222 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)CC1 ZINC000676047872 1075339848 /nfs/dbraw/zinc/33/98/48/1075339848.db2.gz VPLDKZHSBQFUSD-CEWLAPEOSA-N 3 2 407.603 1.222 20 0 HDADLP Cc1cc(N2CCC(NC(=O)C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC2)nc(C)[nH+]1 ZINC000676098883 1075363324 /nfs/dbraw/zinc/36/33/24/1075363324.db2.gz GEXWFXDMZFJAQJ-UHFFFAOYSA-N 2 2 420.477 1.398 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC000676090104 1075373710 /nfs/dbraw/zinc/37/37/10/1075373710.db2.gz PQZXNZZEUYOTAF-KRWDZBQOSA-N 2 2 406.918 1.456 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000676092005 1075375975 /nfs/dbraw/zinc/37/59/75/1075375975.db2.gz RHFFOBHBOPFMDM-UHFFFAOYSA-N 2 2 416.501 1.257 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000676092005 1075375979 /nfs/dbraw/zinc/37/59/79/1075375979.db2.gz RHFFOBHBOPFMDM-UHFFFAOYSA-N 2 2 416.501 1.257 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147490 1075398666 /nfs/dbraw/zinc/39/86/66/1075398666.db2.gz HLZYGIDFROQEPA-ZHRRBRCNSA-N 2 2 419.570 1.162 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)N[C@]4(CCCC(C)(C)C4)C3=O)C2)CC1 ZINC000676147490 1075398671 /nfs/dbraw/zinc/39/86/71/1075398671.db2.gz HLZYGIDFROQEPA-ZHRRBRCNSA-N 2 2 419.570 1.162 20 0 HDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000429399086 1075411881 /nfs/dbraw/zinc/41/18/81/1075411881.db2.gz VZUZNMHEGAAUGG-DENIHFKCSA-N 2 2 413.493 1.940 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676243102 1075444548 /nfs/dbraw/zinc/44/45/48/1075444548.db2.gz IKHMWYKDJSYDNX-WIYYLYMNSA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676243102 1075444550 /nfs/dbraw/zinc/44/45/50/1075444550.db2.gz IKHMWYKDJSYDNX-WIYYLYMNSA-N 2 2 403.571 1.342 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccsc1 ZINC000731680107 1075462302 /nfs/dbraw/zinc/46/23/02/1075462302.db2.gz DIBSDBLHPYSACW-INIZCTEOSA-N 2 2 402.586 1.159 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676265689 1075463749 /nfs/dbraw/zinc/46/37/49/1075463749.db2.gz XYRNEASRUGDZJS-FXAWDEMLSA-N 2 2 417.554 1.234 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676265689 1075463756 /nfs/dbraw/zinc/46/37/56/1075463756.db2.gz XYRNEASRUGDZJS-FXAWDEMLSA-N 2 2 417.554 1.234 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000731683018 1075465958 /nfs/dbraw/zinc/46/59/58/1075465958.db2.gz YCXBIRMYLGLCIM-HXUWFJFHSA-N 2 2 422.595 1.459 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000731683018 1075465959 /nfs/dbraw/zinc/46/59/59/1075465959.db2.gz YCXBIRMYLGLCIM-HXUWFJFHSA-N 2 2 422.595 1.459 20 0 HDADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676477619 1075560701 /nfs/dbraw/zinc/56/07/01/1075560701.db2.gz JRXMVXWHKUMPDJ-GOSISDBHSA-N 2 2 417.535 1.053 20 0 HDADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000676477619 1075560708 /nfs/dbraw/zinc/56/07/08/1075560708.db2.gz JRXMVXWHKUMPDJ-GOSISDBHSA-N 2 2 417.535 1.053 20 0 HDADLP CN(C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732450807 1075741709 /nfs/dbraw/zinc/74/17/09/1075741709.db2.gz ZNDXSMLXXWILLL-GOSISDBHSA-N 2 2 409.575 1.807 20 0 HDADLP CN(C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732450807 1075741713 /nfs/dbraw/zinc/74/17/13/1075741713.db2.gz ZNDXSMLXXWILLL-GOSISDBHSA-N 2 2 409.575 1.807 20 0 HDADLP C[NH+](C)C[C@H](NC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000554888415 1075742313 /nfs/dbraw/zinc/74/23/13/1075742313.db2.gz PXPWNQCXBVMVCM-SFHVURJKSA-N 2 2 420.945 2.293 20 0 HDADLP Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558581 1075786095 /nfs/dbraw/zinc/78/60/95/1075786095.db2.gz BSUKLYAVZOQAFN-RLKVQFJASA-N 2 2 409.538 1.607 20 0 HDADLP Cc1nnnn1/C(=C\c1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558581 1075786103 /nfs/dbraw/zinc/78/61/03/1075786103.db2.gz BSUKLYAVZOQAFN-RLKVQFJASA-N 2 2 409.538 1.607 20 0 HDADLP CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732561548 1075788376 /nfs/dbraw/zinc/78/83/76/1075788376.db2.gz ACMAHFCZHVYYIP-NRFANRHFSA-N 2 2 413.566 1.561 20 0 HDADLP CN(C(=O)C1CCN(C(=O)c2cccnc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732561548 1075788381 /nfs/dbraw/zinc/78/83/81/1075788381.db2.gz ACMAHFCZHVYYIP-NRFANRHFSA-N 2 2 413.566 1.561 20 0 HDADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000606144446 1075809290 /nfs/dbraw/zinc/80/92/90/1075809290.db2.gz MGNBDPZSCMWLRQ-KRWDZBQOSA-N 2 2 404.474 1.939 20 0 HDADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000606144446 1075809294 /nfs/dbraw/zinc/80/92/94/1075809294.db2.gz MGNBDPZSCMWLRQ-KRWDZBQOSA-N 2 2 404.474 1.939 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000611110084 1075846067 /nfs/dbraw/zinc/84/60/67/1075846067.db2.gz RCBLVWKICOCDBW-ROUUACIJSA-N 2 2 403.589 1.538 20 0 HDADLP COC(=O)CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000611110084 1075846072 /nfs/dbraw/zinc/84/60/72/1075846072.db2.gz RCBLVWKICOCDBW-ROUUACIJSA-N 2 2 403.589 1.538 20 0 HDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC(=O)N[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000611181124 1075867969 /nfs/dbraw/zinc/86/79/69/1075867969.db2.gz LCCXKBUFZHFJOJ-QUCCMNQESA-N 2 2 407.603 1.881 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1 ZINC000732835058 1075874908 /nfs/dbraw/zinc/87/49/08/1075874908.db2.gz VEEQTGKALPHAKR-SKTWIKFTSA-N 2 2 420.579 1.252 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1 ZINC000732835058 1075874910 /nfs/dbraw/zinc/87/49/10/1075874910.db2.gz VEEQTGKALPHAKR-SKTWIKFTSA-N 2 2 420.579 1.252 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000733164600 1075997336 /nfs/dbraw/zinc/99/73/36/1075997336.db2.gz YOLPWJLYNBQEFF-INIZCTEOSA-N 2 2 400.589 1.781 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C ZINC000733164600 1075997339 /nfs/dbraw/zinc/99/73/39/1075997339.db2.gz YOLPWJLYNBQEFF-INIZCTEOSA-N 2 2 400.589 1.781 20 0 HDADLP Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000733164431 1075997839 /nfs/dbraw/zinc/99/78/39/1075997839.db2.gz SLEPJEKZWNDZQI-UHFFFAOYSA-N 2 2 416.570 1.295 20 0 HDADLP Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000733164431 1075997841 /nfs/dbraw/zinc/99/78/41/1075997841.db2.gz SLEPJEKZWNDZQI-UHFFFAOYSA-N 2 2 416.570 1.295 20 0 HDADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccccc1 ZINC000733647053 1076139741 /nfs/dbraw/zinc/13/97/41/1076139741.db2.gz JCLRVPLSJUQMFV-QGZVFWFLSA-N 2 2 424.611 1.924 20 0 HDADLP O=C(c1cccnc1N1CCN2CC[NH2+]C[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164399197 718836594 /nfs/dbraw/zinc/83/65/94/718836594.db2.gz QOVHONZJWZEFGX-NRFANRHFSA-N 2 2 420.561 1.133 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)CC4CC4)C3)[nH+]2)CC1 ZINC001164654800 719325335 /nfs/dbraw/zinc/32/53/35/719325335.db2.gz MYWSFLFSNPQKPK-SFYKDHMMSA-N 2 2 413.566 1.734 20 0 HDADLP Cc1cc(N2CCCC2)nc(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)[nH+]1 ZINC001164705506 719926312 /nfs/dbraw/zinc/92/63/12/719926312.db2.gz ZOPKAJFQBSIYKT-UHFFFAOYSA-N 2 2 424.553 1.069 20 0 HDADLP Cc1cnc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c(C[NH3+])c1 ZINC001164828728 720465544 /nfs/dbraw/zinc/46/55/44/720465544.db2.gz AGXDDBOBPRWUTJ-SFHVURJKSA-N 2 2 400.527 1.035 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)[nH+]cc21 ZINC001164739007 720750552 /nfs/dbraw/zinc/75/05/52/720750552.db2.gz HKQABBQDSIDCAJ-GJZGRUSLSA-N 2 2 408.462 1.872 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)[nH+]cc21 ZINC001164739007 720750561 /nfs/dbraw/zinc/75/05/61/720750561.db2.gz HKQABBQDSIDCAJ-GJZGRUSLSA-N 2 2 408.462 1.872 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@]4(COCc4ccccn4)C3)[nH+]2)CC1 ZINC001164925196 721839650 /nfs/dbraw/zinc/83/96/50/721839650.db2.gz ODBAICLACRAQAC-AUSIDOKSSA-N 2 2 409.534 1.898 20 0 HDADLP CC(=O)N1[C@@H]2CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164972030 722080720 /nfs/dbraw/zinc/08/07/20/722080720.db2.gz XSNGNWJKHLFFKM-QHAWAJNXSA-N 2 2 423.565 1.546 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164983069 722126469 /nfs/dbraw/zinc/12/64/69/722126469.db2.gz XXGRPZCUOGYKBN-AEFFLSMTSA-N 2 2 422.489 1.867 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164983069 722126470 /nfs/dbraw/zinc/12/64/70/722126470.db2.gz XXGRPZCUOGYKBN-AEFFLSMTSA-N 2 2 422.489 1.867 20 0 HDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001004585054 1073491157 /nfs/dbraw/zinc/49/11/57/1073491157.db2.gz WOFBFIAFCCDVJI-SJQORLFUSA-N 2 2 404.474 1.733 20 0 HDADLP CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)c(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168740016 1073598331 /nfs/dbraw/zinc/59/83/31/1073598331.db2.gz ATRZPKYHJIYJOZ-QGZVFWFLSA-N 2 2 418.473 1.611 20 0 HDADLP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CCN(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000766022608 1073664196 /nfs/dbraw/zinc/66/41/96/1073664196.db2.gz FORNGKXNXSSDCV-OAQYLSRUSA-N 2 2 401.599 1.718 20 0 HDADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCc2cn3cccc(C)c3[nH+]2)CC1 ZINC000673779574 1073734801 /nfs/dbraw/zinc/73/48/01/1073734801.db2.gz MPCWQYUXFLWOOP-UHFFFAOYSA-N 2 2 400.527 1.381 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000673838479 1073812144 /nfs/dbraw/zinc/81/21/44/1073812144.db2.gz NSRMBYKCVPPLMV-MRXNPFEDSA-N 2 2 403.918 1.278 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)C2)CC1 ZINC000673838479 1073812153 /nfs/dbraw/zinc/81/21/53/1073812153.db2.gz NSRMBYKCVPPLMV-MRXNPFEDSA-N 2 2 403.918 1.278 20 0 HDADLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861182 1073829566 /nfs/dbraw/zinc/82/95/66/1073829566.db2.gz CQGPJJJTHLMXCN-KRWDZBQOSA-N 2 2 406.494 1.995 20 0 HDADLP C[NH+](C)[C@]1(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000673982761 1073974197 /nfs/dbraw/zinc/97/41/97/1073974197.db2.gz OMNFSXHQGFMIQS-FQEVSTJZSA-N 2 2 405.568 1.633 20 0 HDADLP Cc1cc(N2CCC(NC(=O)N3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)nc(C)[nH+]1 ZINC000674188051 1074203231 /nfs/dbraw/zinc/20/32/31/1074203231.db2.gz NMMUKYIRFCRAGD-MOPGFXCFSA-N 2 2 402.543 1.303 20 0 HDADLP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674203061 1074217554 /nfs/dbraw/zinc/21/75/54/1074217554.db2.gz ZRDWUQAIMWVZSI-FQEVSTJZSA-N 2 2 411.506 1.560 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329620 1074276840 /nfs/dbraw/zinc/27/68/40/1074276840.db2.gz HGPIVJUCQBRDSF-WIYYLYMNSA-N 2 2 404.555 1.686 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000674329620 1074276842 /nfs/dbraw/zinc/27/68/42/1074276842.db2.gz HGPIVJUCQBRDSF-WIYYLYMNSA-N 2 2 404.555 1.686 20 0 HDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000674395784 1074310100 /nfs/dbraw/zinc/31/01/00/1074310100.db2.gz FOKQLHXKURRDOR-SFTDATJTSA-N 2 2 404.555 1.233 20 0 HDADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000674395784 1074310109 /nfs/dbraw/zinc/31/01/09/1074310109.db2.gz FOKQLHXKURRDOR-SFTDATJTSA-N 2 2 404.555 1.233 20 0 HDADLP CN(c1ncc(I)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000766076421 1074583737 /nfs/dbraw/zinc/58/37/37/1074583737.db2.gz HKLGBINTHTYSDD-AWEZNQCLSA-N 2 2 401.296 1.686 20 0 HDADLP CN(c1ncc(I)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000766076421 1074583746 /nfs/dbraw/zinc/58/37/46/1074583746.db2.gz HKLGBINTHTYSDD-AWEZNQCLSA-N 2 2 401.296 1.686 20 0 HDADLP O=S(=O)(CC[NH2+][C@H]1CCN(c2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000674879929 1074600560 /nfs/dbraw/zinc/60/05/60/1074600560.db2.gz LSCDBGYXUNARHM-IBGZPJMESA-N 2 2 415.563 1.402 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101830 1074718137 /nfs/dbraw/zinc/71/81/37/1074718137.db2.gz APXAGMSDHTZARH-JKSUJKDBSA-N 2 2 406.962 1.781 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(c4ncccc4Cl)C3)C2)CC1 ZINC000675101830 1074718144 /nfs/dbraw/zinc/71/81/44/1074718144.db2.gz APXAGMSDHTZARH-JKSUJKDBSA-N 2 2 406.962 1.781 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000543615070 1074742703 /nfs/dbraw/zinc/74/27/03/1074742703.db2.gz POVANONJXHTACL-HXUWFJFHSA-N 2 2 408.506 1.777 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)ccn2)CC1 ZINC000543615070 1074742707 /nfs/dbraw/zinc/74/27/07/1074742707.db2.gz POVANONJXHTACL-HXUWFJFHSA-N 2 2 408.506 1.777 20 0 HDADLP CCOC(=O)Cc1csc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000051235968 1075267062 /nfs/dbraw/zinc/26/70/62/1075267062.db2.gz GZMVLOSEZYFNET-UHFFFAOYSA-N 2 2 409.556 1.929 20 0 HDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000675996589 1075320598 /nfs/dbraw/zinc/32/05/98/1075320598.db2.gz GRKQKMVLJZVGKW-WOJBJXKFSA-N 2 2 424.549 1.652 20 0 HDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccccc1 ZINC000675996589 1075320601 /nfs/dbraw/zinc/32/06/01/1075320601.db2.gz GRKQKMVLJZVGKW-WOJBJXKFSA-N 2 2 424.549 1.652 20 0 HDADLP c1ccc(-c2ccc(NCC[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)nn2)cc1 ZINC000481662924 1075323450 /nfs/dbraw/zinc/32/34/50/1075323450.db2.gz AOAXPBPJQUJINX-UHFFFAOYSA-N 2 2 410.566 1.942 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138969 1075406448 /nfs/dbraw/zinc/40/64/48/1075406448.db2.gz ICZUEIZZCSXGDK-RTWAWAEBSA-N 2 2 417.598 1.195 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138969 1075406452 /nfs/dbraw/zinc/40/64/52/1075406452.db2.gz ICZUEIZZCSXGDK-RTWAWAEBSA-N 2 2 417.598 1.195 20 0 HDADLP C[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676262266 1075461727 /nfs/dbraw/zinc/46/17/27/1075461727.db2.gz BUGRVMKSVKUMSV-DYESRHJHSA-N 2 2 415.538 1.814 20 0 HDADLP C[C@@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676262266 1075461730 /nfs/dbraw/zinc/46/17/30/1075461730.db2.gz BUGRVMKSVKUMSV-DYESRHJHSA-N 2 2 415.538 1.814 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000731680699 1075464227 /nfs/dbraw/zinc/46/42/27/1075464227.db2.gz SOJUOFVNQHVRCI-UHFFFAOYSA-N 2 2 422.595 1.243 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000731680699 1075464233 /nfs/dbraw/zinc/46/42/33/1075464233.db2.gz SOJUOFVNQHVRCI-UHFFFAOYSA-N 2 2 422.595 1.243 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682474 1075464719 /nfs/dbraw/zinc/46/47/19/1075464719.db2.gz SPGBNWUGVQQNMW-HDICACEKSA-N 2 2 416.632 1.553 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682474 1075464723 /nfs/dbraw/zinc/46/47/23/1075464723.db2.gz SPGBNWUGVQQNMW-HDICACEKSA-N 2 2 416.632 1.553 20 0 HDADLP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)[NH+](C)C)cc1 ZINC000731683489 1075465497 /nfs/dbraw/zinc/46/54/97/1075465497.db2.gz BCXPSXINQHXZAT-IBGZPJMESA-N 2 2 410.584 1.406 20 0 HDADLP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)([NH+](C)C)C1 ZINC000731757052 1075512939 /nfs/dbraw/zinc/51/29/39/1075512939.db2.gz SMMXCTGIPKCRCO-QFBILLFUSA-N 2 2 402.605 1.305 20 0 HDADLP C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000732206492 1075664479 /nfs/dbraw/zinc/66/44/79/1075664479.db2.gz BICKZAIFTYYCGF-QGZVFWFLSA-N 2 2 405.543 1.965 20 0 HDADLP C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000732206492 1075664482 /nfs/dbraw/zinc/66/44/82/1075664482.db2.gz BICKZAIFTYYCGF-QGZVFWFLSA-N 2 2 405.543 1.965 20 0 HDADLP O=C(C[N@@H+]1CCCC[C@H]1CN1CCCC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000732211927 1075668061 /nfs/dbraw/zinc/66/80/61/1075668061.db2.gz JFLAHOMJYFJOBZ-FQEVSTJZSA-N 2 2 420.598 1.615 20 0 HDADLP O=C(C[N@H+]1CCCC[C@H]1CN1CCCC1=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000732211927 1075668067 /nfs/dbraw/zinc/66/80/67/1075668067.db2.gz JFLAHOMJYFJOBZ-FQEVSTJZSA-N 2 2 420.598 1.615 20 0 HDADLP Nc1nccc([C@@H]2CCC[N@H+](CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2)n1 ZINC000558738107 1075719702 /nfs/dbraw/zinc/71/97/02/1075719702.db2.gz MPSMWKMDALBGKP-GOSISDBHSA-N 2 2 416.570 1.390 20 0 HDADLP Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)C2)n1 ZINC000558738107 1075719706 /nfs/dbraw/zinc/71/97/06/1075719706.db2.gz MPSMWKMDALBGKP-GOSISDBHSA-N 2 2 416.570 1.390 20 0 HDADLP CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559233 1075785151 /nfs/dbraw/zinc/78/51/51/1075785151.db2.gz JHSANORPCVZHGD-IAGOWNOFSA-N 2 2 412.600 1.923 20 0 HDADLP CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559233 1075785156 /nfs/dbraw/zinc/78/51/56/1075785156.db2.gz JHSANORPCVZHGD-IAGOWNOFSA-N 2 2 412.600 1.923 20 0 HDADLP CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559218 1075785186 /nfs/dbraw/zinc/78/51/86/1075785186.db2.gz IYDUGUKZCDGNGI-GOSISDBHSA-N 2 2 424.567 1.109 20 0 HDADLP CON(C)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732559218 1075785191 /nfs/dbraw/zinc/78/51/91/1075785191.db2.gz IYDUGUKZCDGNGI-GOSISDBHSA-N 2 2 424.567 1.109 20 0 HDADLP CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559234 1075785215 /nfs/dbraw/zinc/78/52/15/1075785215.db2.gz JHSANORPCVZHGD-IRXDYDNUSA-N 2 2 412.600 1.923 20 0 HDADLP CN(C(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559234 1075785222 /nfs/dbraw/zinc/78/52/22/1075785222.db2.gz JHSANORPCVZHGD-IRXDYDNUSA-N 2 2 412.600 1.923 20 0 HDADLP CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732559232 1075785323 /nfs/dbraw/zinc/78/53/23/1075785323.db2.gz JHSANORPCVZHGD-DLBZAZTESA-N 2 2 412.600 1.923 20 0 HDADLP CN(C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732559232 1075785324 /nfs/dbraw/zinc/78/53/24/1075785324.db2.gz JHSANORPCVZHGD-DLBZAZTESA-N 2 2 412.600 1.923 20 0 HDADLP CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732560017 1075786374 /nfs/dbraw/zinc/78/63/74/1075786374.db2.gz UBYZEVJSVUKADG-IBGZPJMESA-N 2 2 413.497 1.612 20 0 HDADLP CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732560017 1075786376 /nfs/dbraw/zinc/78/63/76/1075786376.db2.gz UBYZEVJSVUKADG-IBGZPJMESA-N 2 2 413.497 1.612 20 0 HDADLP CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565385 1075789864 /nfs/dbraw/zinc/78/98/64/1075789864.db2.gz XYFHFYRHOVGCFO-OEFWXDCSSA-N 2 2 408.612 1.871 20 0 HDADLP CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565385 1075789869 /nfs/dbraw/zinc/78/98/69/1075789869.db2.gz XYFHFYRHOVGCFO-OEFWXDCSSA-N 2 2 408.612 1.871 20 0 HDADLP C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732565059 1075789907 /nfs/dbraw/zinc/78/99/07/1075789907.db2.gz VCVTUJPUMWGMAQ-PXNSSMCTSA-N 2 2 402.539 1.928 20 0 HDADLP C[C@H](NC(=O)OCc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732565059 1075789911 /nfs/dbraw/zinc/78/99/11/1075789911.db2.gz VCVTUJPUMWGMAQ-PXNSSMCTSA-N 2 2 402.539 1.928 20 0 HDADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438322473 1075796008 /nfs/dbraw/zinc/79/60/08/1075796008.db2.gz OETLQNPAPZTFFI-PMACEKPBSA-N 2 2 418.586 2.334 20 0 HDADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438322473 1075796011 /nfs/dbraw/zinc/79/60/11/1075796011.db2.gz OETLQNPAPZTFFI-PMACEKPBSA-N 2 2 418.586 2.334 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000732721759 1075843704 /nfs/dbraw/zinc/84/37/04/1075843704.db2.gz VFEBRKGDFMUFHY-QGZVFWFLSA-N 2 2 404.580 1.633 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NCCc3ccc4c(c3)OCCO4)C2)CC1 ZINC000732721759 1075843710 /nfs/dbraw/zinc/84/37/10/1075843710.db2.gz VFEBRKGDFMUFHY-QGZVFWFLSA-N 2 2 404.580 1.633 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1 ZINC000732782298 1075866082 /nfs/dbraw/zinc/86/60/82/1075866082.db2.gz WTAGAOUFWWMDBS-OAHLLOKOSA-N 2 2 406.914 1.350 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CN3C(=O)COc4ccc(Cl)cc43)C2)CC1 ZINC000732782298 1075866083 /nfs/dbraw/zinc/86/60/83/1075866083.db2.gz WTAGAOUFWWMDBS-OAHLLOKOSA-N 2 2 406.914 1.350 20 0 HDADLP CCC[NH+]1CCN(c2ccc(NC(=O)C(=O)N3CC[NH+](C)CC3)cc2Cl)CC1 ZINC000143760738 1075916218 /nfs/dbraw/zinc/91/62/18/1075916218.db2.gz ITJFKNOSCOVEGR-UHFFFAOYSA-N 2 2 407.946 1.585 20 0 HDADLP CN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000510280631 1075990339 /nfs/dbraw/zinc/99/03/39/1075990339.db2.gz BQXKFMGICLVKQK-JKSUJKDBSA-N 2 2 418.504 1.662 20 0 HDADLP C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000514125112 1076017562 /nfs/dbraw/zinc/01/75/62/1076017562.db2.gz QPKVBZNZRCQHQJ-QWFCFKBJSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)C[C@@H](C)O1 ZINC000514125112 1076017566 /nfs/dbraw/zinc/01/75/66/1076017566.db2.gz QPKVBZNZRCQHQJ-QWFCFKBJSA-N 2 2 412.534 1.272 20 0 HDADLP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646543 1076139088 /nfs/dbraw/zinc/13/90/88/1076139088.db2.gz NKSCQWNKIOSCTB-RTBURBONSA-N 2 2 404.555 1.906 20 0 HDADLP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646543 1076139095 /nfs/dbraw/zinc/13/90/95/1076139095.db2.gz NKSCQWNKIOSCTB-RTBURBONSA-N 2 2 404.555 1.906 20 0 HDADLP CN(C(=O)/C=C/Sc1ccccc1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729981208 1076406170 /nfs/dbraw/zinc/40/61/70/1076406170.db2.gz ZHLCKSJKSYJRMO-LICLKQGHSA-N 2 2 416.591 1.989 20 0 HDADLP CCCC[C@H]1NC(=O)N(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000731209855 1076755822 /nfs/dbraw/zinc/75/58/22/1076755822.db2.gz ZVUQAEVTDWGHCG-GOSISDBHSA-N 2 2 407.559 1.321 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164700988 719844438 /nfs/dbraw/zinc/84/44/38/719844438.db2.gz LLQLOLVSWQFMMC-YJYMSZOUSA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCC([NH3+])CC2)n1 ZINC001164699212 719864572 /nfs/dbraw/zinc/86/45/72/719864572.db2.gz AYWMFAMKQLERON-PGRDOPGGSA-N 2 2 417.554 1.242 20 0 HDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164716718 720208665 /nfs/dbraw/zinc/20/86/65/720208665.db2.gz DEYBDGCZOLJPCI-OAQYLSRUSA-N 2 2 402.543 1.050 20 0 HDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc(C)[nH+]3)C2)C1 ZINC001164716718 720208671 /nfs/dbraw/zinc/20/86/71/720208671.db2.gz DEYBDGCZOLJPCI-OAQYLSRUSA-N 2 2 402.543 1.050 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(Cn3cncn3)c[nH+]2)CC1 ZINC001164821715 720338475 /nfs/dbraw/zinc/33/84/75/720338475.db2.gz BMEXQBREVRVIMF-VQTJNVASSA-N 2 2 409.538 1.633 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4OCC[C@]4(C(=O)Nc4cccnc4)C3)[nH+]2)CC1 ZINC001164732313 720501986 /nfs/dbraw/zinc/50/19/86/720501986.db2.gz ZBJQUESUATYJDI-XXBNENTESA-N 2 2 422.533 1.853 20 0 HDADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]2)C1 ZINC001164730011 720513724 /nfs/dbraw/zinc/51/37/24/720513724.db2.gz PRBZHQXLHKENQS-OAHLLOKOSA-N 2 2 405.506 1.757 20 0 HDADLP Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)n1 ZINC001164774532 721053773 /nfs/dbraw/zinc/05/37/73/721053773.db2.gz VUCGAHNYQBQRRC-PMACEKPBSA-N 2 2 406.534 1.917 20 0 HDADLP CC(C)C(=O)N[C@@H]1COCCC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164895590 721501591 /nfs/dbraw/zinc/50/15/91/721501591.db2.gz CYOHOFWBLGJZAY-LJQANCHMSA-N 2 2 415.582 1.981 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164802622 721584834 /nfs/dbraw/zinc/58/48/34/721584834.db2.gz HHHACGHNZBVYCQ-RZUBCFFCSA-N 2 2 423.565 1.492 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@H]1CN(c2ccnc(N3CC[NH+](C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164802622 721584836 /nfs/dbraw/zinc/58/48/36/721584836.db2.gz HHHACGHNZBVYCQ-RZUBCFFCSA-N 2 2 423.565 1.492 20 0 HDADLP Cc1cc(N2CCCC2)nc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164909508 721766512 /nfs/dbraw/zinc/76/65/12/721766512.db2.gz BQIKKMFLAYARAV-QHCPKHFHSA-N 2 2 424.549 1.888 20 0 HDADLP Cc1cc(N2CCCC2)nc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164909508 721766514 /nfs/dbraw/zinc/76/65/14/721766514.db2.gz BQIKKMFLAYARAV-QHCPKHFHSA-N 2 2 424.549 1.888 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164983072 722126421 /nfs/dbraw/zinc/12/64/21/722126421.db2.gz XXGRPZCUOGYKBN-WMZOPIPTSA-N 2 2 422.489 1.867 20 0 HDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164983072 722126423 /nfs/dbraw/zinc/12/64/23/722126423.db2.gz XXGRPZCUOGYKBN-WMZOPIPTSA-N 2 2 422.489 1.867 20 0 HDADLP COCCn1ccc2c1nc[nH+]c2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164997211 722234227 /nfs/dbraw/zinc/23/42/27/722234227.db2.gz NZDKJCKKXLODDD-UHFFFAOYSA-N 2 2 422.537 1.225 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccccn3)CC2)CC1 ZINC000673665397 1073618150 /nfs/dbraw/zinc/61/81/50/1073618150.db2.gz KCDWRRMLVFVNLR-NRFANRHFSA-N 2 2 413.566 1.449 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccccn3)CC2)CC1 ZINC000673665397 1073618157 /nfs/dbraw/zinc/61/81/57/1073618157.db2.gz KCDWRRMLVFVNLR-NRFANRHFSA-N 2 2 413.566 1.449 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670091 1073624652 /nfs/dbraw/zinc/62/46/52/1073624652.db2.gz ZFPFRFBDFFBYCO-IEBWSBKVSA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)C2)CC1 ZINC000673670091 1073624657 /nfs/dbraw/zinc/62/46/57/1073624657.db2.gz ZFPFRFBDFFBYCO-IEBWSBKVSA-N 2 2 405.587 1.635 20 0 HDADLP C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673741357 1073674366 /nfs/dbraw/zinc/67/43/66/1073674366.db2.gz WMGCGALITNZKSD-WBVHZDCISA-N 2 2 412.538 1.308 20 0 HDADLP C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673741357 1073674369 /nfs/dbraw/zinc/67/43/69/1073674369.db2.gz WMGCGALITNZKSD-WBVHZDCISA-N 2 2 412.538 1.308 20 0 HDADLP Cc1cccn2cc(CCNC(=O)NC3CC[NH+](CCC(=O)N(C)C)CC3)[nH+]c12 ZINC000673774116 1073707611 /nfs/dbraw/zinc/70/76/11/1073707611.db2.gz REOJUPCNPQCAGH-UHFFFAOYSA-N 2 2 400.527 1.427 20 0 HDADLP Cc1cc(N2CCC(NC(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)CC2)nc(C)[nH+]1 ZINC000674188598 1074203284 /nfs/dbraw/zinc/20/32/84/1074203284.db2.gz VREFIFADBOUAEW-LJQANCHMSA-N 2 2 402.543 1.568 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000674326378 1074276880 /nfs/dbraw/zinc/27/68/80/1074276880.db2.gz ADGLJJLGKSXMRR-HXUWFJFHSA-N 2 2 404.555 1.340 20 0 HDADLP COc1cc(NC(=O)CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000674434837 1074333311 /nfs/dbraw/zinc/33/33/11/1074333311.db2.gz NLZTVADYSBSRDK-HNNXBMFYSA-N 2 2 419.526 1.110 20 0 HDADLP COc1cc(NC(=O)CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000674434837 1074333319 /nfs/dbraw/zinc/33/33/19/1074333319.db2.gz NLZTVADYSBSRDK-HNNXBMFYSA-N 2 2 419.526 1.110 20 0 HDADLP C[NH+]1CCN(C(=O)c2cc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)ccn2)CC1 ZINC000543616079 1074767858 /nfs/dbraw/zinc/76/78/58/1074767858.db2.gz DHDGSBQAZJNOFU-UHFFFAOYSA-N 2 2 402.543 1.900 20 0 HDADLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000436354288 1074784178 /nfs/dbraw/zinc/78/41/78/1074784178.db2.gz BSPBXZXMYFQQSD-IBGZPJMESA-N 2 2 404.559 2.134 20 0 HDADLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000436354288 1074784187 /nfs/dbraw/zinc/78/41/87/1074784187.db2.gz BSPBXZXMYFQQSD-IBGZPJMESA-N 2 2 404.559 2.134 20 0 HDADLP Cc1cc(NC(=O)C[NH+]2CCC(C(=O)NCC[N@@H+](C)Cc3ccccc3)CC2)no1 ZINC000471225407 1075105181 /nfs/dbraw/zinc/10/51/81/1075105181.db2.gz DNUNMYGRASBODI-UHFFFAOYSA-N 2 2 413.522 1.882 20 0 HDADLP Cc1cc(NC(=O)C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000471225407 1075105185 /nfs/dbraw/zinc/10/51/85/1075105185.db2.gz DNUNMYGRASBODI-UHFFFAOYSA-N 2 2 413.522 1.882 20 0 HDADLP Cc1ccccc1C(=O)NC1CCN(C(=O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000675498096 1075179354 /nfs/dbraw/zinc/17/93/54/1075179354.db2.gz LVGJLAMEMFOJTN-UHFFFAOYSA-N 2 2 421.545 1.933 20 0 HDADLP CC1CC[NH+](CC(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC000675563610 1075204887 /nfs/dbraw/zinc/20/48/87/1075204887.db2.gz ZFGNJWWEABRTHS-UHFFFAOYSA-N 2 2 401.555 1.567 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605460 1075221252 /nfs/dbraw/zinc/22/12/52/1075221252.db2.gz MJBVEDAFZSSLSC-AZUAARDMSA-N 2 2 414.550 1.624 20 0 HDADLP CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605460 1075221257 /nfs/dbraw/zinc/22/12/57/1075221257.db2.gz MJBVEDAFZSSLSC-AZUAARDMSA-N 2 2 414.550 1.624 20 0 HDADLP C[C@@H](c1cccc(NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1)[NH+]1CCOCC1 ZINC000675608776 1075225838 /nfs/dbraw/zinc/22/58/38/1075225838.db2.gz WDKGSHFDYBETJD-INIZCTEOSA-N 2 2 414.510 1.415 20 0 HDADLP O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675730181 1075263789 /nfs/dbraw/zinc/26/37/89/1075263789.db2.gz TXXCRSDQOJLEND-UHFFFAOYSA-N 2 2 408.506 1.254 20 0 HDADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088409 1075370955 /nfs/dbraw/zinc/37/09/55/1075370955.db2.gz DDKJIAJGIVFWMO-UHFFFAOYSA-N 2 2 412.494 1.357 20 0 HDADLP C[C@@H](CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000676110616 1075385853 /nfs/dbraw/zinc/38/58/53/1075385853.db2.gz HHSWKRHXGXTJHM-SFHVURJKSA-N 2 2 401.555 1.272 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138970 1075406432 /nfs/dbraw/zinc/40/64/32/1075406432.db2.gz ICZUEIZZCSXGDK-SFTDATJTSA-N 2 2 417.598 1.195 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000676138970 1075406436 /nfs/dbraw/zinc/40/64/36/1075406436.db2.gz ICZUEIZZCSXGDK-SFTDATJTSA-N 2 2 417.598 1.195 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138968 1075406530 /nfs/dbraw/zinc/40/65/30/1075406530.db2.gz ICZUEIZZCSXGDK-NHCUHLMSSA-N 2 2 417.598 1.195 20 0 HDADLP CN1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CC1 ZINC000676138968 1075406533 /nfs/dbraw/zinc/40/65/33/1075406533.db2.gz ICZUEIZZCSXGDK-NHCUHLMSSA-N 2 2 417.598 1.195 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nn(-c4ccc(F)cc4)ccc3=O)CC2)CC1 ZINC000731622924 1075417797 /nfs/dbraw/zinc/41/77/97/1075417797.db2.gz VPBUHZFVPUKEEH-UHFFFAOYSA-N 2 2 413.497 1.660 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676242751 1075444668 /nfs/dbraw/zinc/44/46/68/1075444668.db2.gz AOQNBYVBRZWAHL-RXVVDRJESA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676242751 1075444675 /nfs/dbraw/zinc/44/46/75/1075444675.db2.gz AOQNBYVBRZWAHL-RXVVDRJESA-N 2 2 403.571 1.342 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731687292 1075449325 /nfs/dbraw/zinc/44/93/25/1075449325.db2.gz LQDXLYKSKWWEEN-UHFFFAOYSA-N 2 2 402.539 1.677 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCC(=O)N1CCOc2ccccc21 ZINC000731687292 1075449330 /nfs/dbraw/zinc/44/93/30/1075449330.db2.gz LQDXLYKSKWWEEN-UHFFFAOYSA-N 2 2 402.539 1.677 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000676265691 1075464452 /nfs/dbraw/zinc/46/44/52/1075464452.db2.gz XYRNEASRUGDZJS-XLIONFOSSA-N 2 2 417.554 1.234 20 0 HDADLP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000676265691 1075464454 /nfs/dbraw/zinc/46/44/54/1075464454.db2.gz XYRNEASRUGDZJS-XLIONFOSSA-N 2 2 417.554 1.234 20 0 HDADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683011 1075465943 /nfs/dbraw/zinc/46/59/43/1075465943.db2.gz XXQJINKUMUPOKZ-KRWDZBQOSA-N 2 2 402.605 1.449 20 0 HDADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683011 1075465945 /nfs/dbraw/zinc/46/59/45/1075465945.db2.gz XXQJINKUMUPOKZ-KRWDZBQOSA-N 2 2 402.605 1.449 20 0 HDADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683012 1075465979 /nfs/dbraw/zinc/46/59/79/1075465979.db2.gz XXQJINKUMUPOKZ-QGZVFWFLSA-N 2 2 402.605 1.449 20 0 HDADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731683012 1075465983 /nfs/dbraw/zinc/46/59/83/1075465983.db2.gz XXQJINKUMUPOKZ-QGZVFWFLSA-N 2 2 402.605 1.449 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000731755098 1075511545 /nfs/dbraw/zinc/51/15/45/1075511545.db2.gz AUWFZYRJLPAIEN-FQEVSTJZSA-N 2 2 422.595 1.632 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@@H+](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000676501858 1075570587 /nfs/dbraw/zinc/57/05/87/1075570587.db2.gz WBMOZMNTYFZXNL-QAPCUYQASA-N 2 2 402.539 1.986 20 0 HDADLP COc1cc2c(cc1CNC(=O)N[C@H]1CC[N@H+](C3CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000676501858 1075570593 /nfs/dbraw/zinc/57/05/93/1075570593.db2.gz WBMOZMNTYFZXNL-QAPCUYQASA-N 2 2 402.539 1.986 20 0 HDADLP Cc1onc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000577205737 1075578374 /nfs/dbraw/zinc/57/83/74/1075578374.db2.gz XQQHLAAPMPOLCO-ZWKOTPCHSA-N 2 2 405.543 2.026 20 0 HDADLP Cc1onc(NC(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000577205737 1075578380 /nfs/dbraw/zinc/57/83/80/1075578380.db2.gz XQQHLAAPMPOLCO-ZWKOTPCHSA-N 2 2 405.543 2.026 20 0 HDADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167605 1075587212 /nfs/dbraw/zinc/58/72/12/1075587212.db2.gz QGFXMDZOUDCBRC-LSDHHAIUSA-N 2 2 415.563 1.758 20 0 HDADLP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nc2ccccc2s1 ZINC000804167605 1075587219 /nfs/dbraw/zinc/58/72/19/1075587219.db2.gz QGFXMDZOUDCBRC-LSDHHAIUSA-N 2 2 415.563 1.758 20 0 HDADLP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)c(C)c1 ZINC000676744366 1075668880 /nfs/dbraw/zinc/66/88/80/1075668880.db2.gz LPSHUROXHBKIGZ-HXUWFJFHSA-N 2 2 423.521 1.754 20 0 HDADLP C[NH+]1CCN(CC(=O)NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000732261002 1075689453 /nfs/dbraw/zinc/68/94/53/1075689453.db2.gz DTDVGXJTHPJYRA-UHFFFAOYSA-N 2 2 407.562 1.672 20 0 HDADLP Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000467200045 1075720871 /nfs/dbraw/zinc/72/08/71/1075720871.db2.gz CLXPQMZNFRRTBA-UHFFFAOYSA-N 2 2 411.554 2.005 20 0 HDADLP CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732560020 1075786349 /nfs/dbraw/zinc/78/63/49/1075786349.db2.gz UBYZEVJSVUKADG-LJQANCHMSA-N 2 2 413.497 1.612 20 0 HDADLP CN(C(=O)c1nn(-c2ccc(F)cc2)ccc1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732560020 1075786353 /nfs/dbraw/zinc/78/63/53/1075786353.db2.gz UBYZEVJSVUKADG-LJQANCHMSA-N 2 2 413.497 1.612 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425189 1075787228 /nfs/dbraw/zinc/78/72/28/1075787228.db2.gz ZCSPZADTJJWAET-NRFANRHFSA-N 2 2 418.582 1.428 20 0 HDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425189 1075787235 /nfs/dbraw/zinc/78/72/35/1075787235.db2.gz ZCSPZADTJJWAET-NRFANRHFSA-N 2 2 418.582 1.428 20 0 HDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425189 1075787240 /nfs/dbraw/zinc/78/72/40/1075787240.db2.gz ZCSPZADTJJWAET-NRFANRHFSA-N 2 2 418.582 1.428 20 0 HDADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)C1 ZINC000016425189 1075787242 /nfs/dbraw/zinc/78/72/42/1075787242.db2.gz ZCSPZADTJJWAET-NRFANRHFSA-N 2 2 418.582 1.428 20 0 HDADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438322475 1075796075 /nfs/dbraw/zinc/79/60/75/1075796075.db2.gz OETLQNPAPZTFFI-VQTJNVASSA-N 2 2 418.586 2.334 20 0 HDADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)C1 ZINC000438322475 1075796077 /nfs/dbraw/zinc/79/60/77/1075796077.db2.gz OETLQNPAPZTFFI-VQTJNVASSA-N 2 2 418.586 2.334 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cncc(I)c3)C2)CC1 ZINC000611134787 1075849896 /nfs/dbraw/zinc/84/98/96/1075849896.db2.gz VBTBVLXZZVGEEC-CQSZACIVSA-N 2 2 414.291 1.585 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cncc(I)c3)C2)CC1 ZINC000611134787 1075849904 /nfs/dbraw/zinc/84/99/04/1075849904.db2.gz VBTBVLXZZVGEEC-CQSZACIVSA-N 2 2 414.291 1.585 20 0 HDADLP COCC1CC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000732797092 1075860465 /nfs/dbraw/zinc/86/04/65/1075860465.db2.gz DPZKSVYMWUFCIW-QFIPXVFZSA-N 2 2 400.523 1.889 20 0 HDADLP COCC1CC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000732797092 1075860467 /nfs/dbraw/zinc/86/04/67/1075860467.db2.gz DPZKSVYMWUFCIW-QFIPXVFZSA-N 2 2 400.523 1.889 20 0 HDADLP Cc1csc([C@@](O)(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779155 1075863909 /nfs/dbraw/zinc/86/39/09/1075863909.db2.gz RDNSSUNVGYONFG-DYVFJYSZSA-N 2 2 420.501 1.876 20 0 HDADLP Cc1csc([C@@](O)(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(F)(F)F)n1 ZINC000732779155 1075863912 /nfs/dbraw/zinc/86/39/12/1075863912.db2.gz RDNSSUNVGYONFG-DYVFJYSZSA-N 2 2 420.501 1.876 20 0 HDADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810314 1075871384 /nfs/dbraw/zinc/87/13/84/1075871384.db2.gz LGCBLQRCBPUUDW-OAHLLOKOSA-N 2 2 413.444 1.215 20 0 HDADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810314 1075871391 /nfs/dbraw/zinc/87/13/91/1075871391.db2.gz LGCBLQRCBPUUDW-OAHLLOKOSA-N 2 2 413.444 1.215 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1 ZINC000732835053 1075874999 /nfs/dbraw/zinc/87/49/99/1075874999.db2.gz VEEQTGKALPHAKR-KZIRBZLESA-N 2 2 420.579 1.252 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCNS(=O)(=O)/C=C/c3ccccc3)C2)CC1 ZINC000732835053 1075875008 /nfs/dbraw/zinc/87/50/08/1075875008.db2.gz VEEQTGKALPHAKR-KZIRBZLESA-N 2 2 420.579 1.252 20 0 HDADLP COc1c(C)c[nH+]c(CNC(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1C ZINC000727602466 1076176591 /nfs/dbraw/zinc/17/65/91/1076176591.db2.gz QNPKIOOWCHFLHZ-UHFFFAOYSA-N 2 2 413.522 1.998 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)CC2)CC1 ZINC000727801145 1076258678 /nfs/dbraw/zinc/25/86/78/1076258678.db2.gz FBGLLJYCUMZLSU-INIZCTEOSA-N 2 2 420.476 1.825 20 0 HDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C4OCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000728053828 1076320463 /nfs/dbraw/zinc/32/04/63/1076320463.db2.gz SXSCQHRBVINDRL-SFHVURJKSA-N 2 2 417.554 1.642 20 0 HDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C4OCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000728053828 1076320464 /nfs/dbraw/zinc/32/04/64/1076320464.db2.gz SXSCQHRBVINDRL-SFHVURJKSA-N 2 2 417.554 1.642 20 0 HDADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001164618196 719012821 /nfs/dbraw/zinc/01/28/21/719012821.db2.gz QSFFFCNZFQJUIY-DZFGPLHGSA-N 2 2 407.518 1.765 20 0 HDADLP CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001164618196 719012827 /nfs/dbraw/zinc/01/28/27/719012827.db2.gz QSFFFCNZFQJUIY-DZFGPLHGSA-N 2 2 407.518 1.765 20 0 HDADLP COCCN1CC[N@H+](C)C2(CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)C1=O ZINC001164634873 719266699 /nfs/dbraw/zinc/26/66/99/719266699.db2.gz GMDYYUAQXFPKFH-UHFFFAOYSA-N 2 2 402.543 1.145 20 0 HDADLP COCCN1CC[N@@H+](C)C2(CCN(c3nc(N4CCCC4)cc(C)[nH+]3)CC2)C1=O ZINC001164634873 719266702 /nfs/dbraw/zinc/26/67/02/719266702.db2.gz GMDYYUAQXFPKFH-UHFFFAOYSA-N 2 2 402.543 1.145 20 0 HDADLP CCOC(=O)c1cnc([S@](C)=O)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680615 719637003 /nfs/dbraw/zinc/63/70/03/719637003.db2.gz YPJXJTRZKLLRDU-LJAQVGFWSA-N 2 2 420.539 1.062 20 0 HDADLP CCOC(=O)c1cnc([S@](C)=O)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680615 719637012 /nfs/dbraw/zinc/63/70/12/719637012.db2.gz YPJXJTRZKLLRDU-LJAQVGFWSA-N 2 2 420.539 1.062 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1C[NH2+]CC2 ZINC001164698590 719838886 /nfs/dbraw/zinc/83/88/86/719838886.db2.gz FWFBLRDLLSBABT-DJJJIMSYSA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164700985 719844507 /nfs/dbraw/zinc/84/45/07/719844507.db2.gz LLQLOLVSWQFMMC-ORAYPTAESA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001164704136 719860539 /nfs/dbraw/zinc/86/05/39/719860539.db2.gz RTRINJAWHOLFSZ-AVRDEDQJSA-N 2 2 417.554 1.066 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)N5CCCO5)CC[C@@H]43)[nH+]2)CC1 ZINC001164847971 720820699 /nfs/dbraw/zinc/82/06/99/720820699.db2.gz LFJHDIZRRGHREZ-OKZBNKHCSA-N 2 2 401.511 1.124 20 0 HDADLP Cn1cccc1C(=O)N[C@H]1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)[C@@H]2CCCO[C@H]21 ZINC001164761634 721065259 /nfs/dbraw/zinc/06/52/59/721065259.db2.gz CGEXNYRSNPQVPO-SVMVAKDDSA-N 2 2 424.549 1.338 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCCn4nnc(CNc5cccnc5)c4C3)[nH+]2)CC1 ZINC001164790130 721475030 /nfs/dbraw/zinc/47/50/30/721475030.db2.gz RHKZZEBPXUEOCS-UHFFFAOYSA-N 2 2 419.537 1.842 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@H]4C3)[nH+]2)CC1 ZINC001164793721 721481779 /nfs/dbraw/zinc/48/17/79/721481779.db2.gz YCEITZJXZZCURX-OTWHNJEPSA-N 2 2 415.538 1.229 20 0 HDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(COc4ncccc4F)C3)[nH+]2)CC1 ZINC001164791691 721487114 /nfs/dbraw/zinc/48/71/14/721487114.db2.gz DUFTYYSNQLOSFV-JTSKRJEESA-N 2 2 413.497 1.899 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H](CO[C@H]4CC(=O)NC4CCC4)C3)[nH+]2)CC1 ZINC001164936101 721896468 /nfs/dbraw/zinc/89/64/68/721896468.db2.gz XWBMKMSYFMXVMR-RLLQIKCJSA-N 2 2 413.566 1.734 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978056 722130790 /nfs/dbraw/zinc/13/07/90/722130790.db2.gz JKLVGYDNZKTHPH-PZJWPPBQSA-N 3 2 423.565 1.526 20 0 HDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)n2)CC1 ZINC001164978056 722130794 /nfs/dbraw/zinc/13/07/94/722130794.db2.gz JKLVGYDNZKTHPH-PZJWPPBQSA-N 3 2 423.565 1.526 20 0 HDADLP CCOC[C@H]1C(=O)N(CC)CC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164992053 722187606 /nfs/dbraw/zinc/18/76/06/722187606.db2.gz RNGRFDGIVXYACG-IBGZPJMESA-N 2 2 415.582 1.935 20 0 HDADLP Cc1c[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1N1CCCC1 ZINC001164996503 722228674 /nfs/dbraw/zinc/22/86/74/722228674.db2.gz ILWSNUHKNXQJFR-UHFFFAOYSA-N 2 2 408.554 1.532 20 0 HDADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1 ZINC001168740012 1073598250 /nfs/dbraw/zinc/59/82/50/1073598250.db2.gz AOSRAZXYBGVAMP-UHFFFAOYSA-N 2 2 402.466 1.412 20 0 HDADLP CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673668854 1073623127 /nfs/dbraw/zinc/62/31/27/1073623127.db2.gz BFRLDPVITNZQCO-AZUAARDMSA-N 2 2 412.534 1.132 20 0 HDADLP CN(C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673668854 1073623131 /nfs/dbraw/zinc/62/31/31/1073623131.db2.gz BFRLDPVITNZQCO-AZUAARDMSA-N 2 2 412.534 1.132 20 0 HDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766023390 1073669802 /nfs/dbraw/zinc/66/98/02/1073669802.db2.gz MRQWOBRYVSQCGJ-DOTOQJQBSA-N 2 2 417.522 1.740 20 0 HDADLP C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673741354 1073674395 /nfs/dbraw/zinc/67/43/95/1073674395.db2.gz WMGCGALITNZKSD-NVXWUHKLSA-N 2 2 412.538 1.308 20 0 HDADLP C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673741354 1073674396 /nfs/dbraw/zinc/67/43/96/1073674396.db2.gz WMGCGALITNZKSD-NVXWUHKLSA-N 2 2 412.538 1.308 20 0 HDADLP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872345 1073838168 /nfs/dbraw/zinc/83/81/68/1073838168.db2.gz FJGJIYBAYHGVHI-OAQYLSRUSA-N 2 2 412.538 1.954 20 0 HDADLP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000673872345 1073838175 /nfs/dbraw/zinc/83/81/75/1073838175.db2.gz FJGJIYBAYHGVHI-OAQYLSRUSA-N 2 2 412.538 1.954 20 0 HDADLP C[NH+](C)[C@@]1(CNC(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CCSC1 ZINC000673982763 1073974311 /nfs/dbraw/zinc/97/43/11/1073974311.db2.gz OMNFSXHQGFMIQS-HXUWFJFHSA-N 2 2 405.568 1.633 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509187973 1073994550 /nfs/dbraw/zinc/99/45/50/1073994550.db2.gz YLLUIMWELGAZRH-MSOLQXFVSA-N 2 2 400.527 1.844 20 0 HDADLP CN(C(=O)c1cccn2c(=O)[nH]nc12)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509187973 1073994552 /nfs/dbraw/zinc/99/45/52/1073994552.db2.gz YLLUIMWELGAZRH-MSOLQXFVSA-N 2 2 400.527 1.844 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545300 1074058656 /nfs/dbraw/zinc/05/86/56/1074058656.db2.gz JWMCNMJYFNZDOR-MJGOQNOKSA-N 2 2 400.527 1.391 20 0 HDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545300 1074058661 /nfs/dbraw/zinc/05/86/61/1074058661.db2.gz JWMCNMJYFNZDOR-MJGOQNOKSA-N 2 2 400.527 1.391 20 0 HDADLP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000674202064 1074216659 /nfs/dbraw/zinc/21/66/59/1074216659.db2.gz LBNUAYYTZRTLQF-NRFANRHFSA-N 2 2 424.549 1.823 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000674324757 1074274214 /nfs/dbraw/zinc/27/42/14/1074274214.db2.gz XBPMELRGAITUCF-FQEVSTJZSA-N 2 2 415.582 1.789 20 0 HDADLP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000674324757 1074274218 /nfs/dbraw/zinc/27/42/18/1074274218.db2.gz XBPMELRGAITUCF-FQEVSTJZSA-N 2 2 415.582 1.789 20 0 HDADLP COC1CC[NH+](CCNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC000674326374 1074277013 /nfs/dbraw/zinc/27/70/13/1074277013.db2.gz ADGLJJLGKSXMRR-FQEVSTJZSA-N 2 2 404.555 1.340 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000429227005 1074290608 /nfs/dbraw/zinc/29/06/08/1074290608.db2.gz MNFCQUXKHOTAFL-UHFFFAOYSA-N 2 2 419.551 1.394 20 0 HDADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC000429227005 1074290615 /nfs/dbraw/zinc/29/06/15/1074290615.db2.gz MNFCQUXKHOTAFL-UHFFFAOYSA-N 2 2 419.551 1.394 20 0 HDADLP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000674631190 1074494983 /nfs/dbraw/zinc/49/49/83/1074494983.db2.gz MKJPSZOZFCYIFE-NQIIRXRSSA-N 2 2 413.566 1.992 20 0 HDADLP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000674631190 1074494994 /nfs/dbraw/zinc/49/49/94/1074494994.db2.gz MKJPSZOZFCYIFE-NQIIRXRSSA-N 2 2 413.566 1.992 20 0 HDADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000670483960 1074569059 /nfs/dbraw/zinc/56/90/59/1074569059.db2.gz FKDIPWOZCDIXRQ-HXUWFJFHSA-N 2 2 407.518 1.557 20 0 HDADLP C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@@H+]1CCCC[C@H]1C ZINC000543615343 1074738296 /nfs/dbraw/zinc/73/82/96/1074738296.db2.gz YMVJEKNXKABUBJ-SJORKVTESA-N 2 2 402.543 1.854 20 0 HDADLP C[C@@H](CNC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1)[N@H+]1CCCC[C@H]1C ZINC000543615343 1074738302 /nfs/dbraw/zinc/73/83/02/1074738302.db2.gz YMVJEKNXKABUBJ-SJORKVTESA-N 2 2 402.543 1.854 20 0 HDADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615590 1074754007 /nfs/dbraw/zinc/75/40/07/1074754007.db2.gz ZVOPCSGIRPBDOE-DLBZAZTESA-N 2 2 402.543 1.711 20 0 HDADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615590 1074754017 /nfs/dbraw/zinc/75/40/17/1074754017.db2.gz ZVOPCSGIRPBDOE-DLBZAZTESA-N 2 2 402.543 1.711 20 0 HDADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615592 1074754118 /nfs/dbraw/zinc/75/41/18/1074754118.db2.gz ZVOPCSGIRPBDOE-IRXDYDNUSA-N 2 2 402.543 1.711 20 0 HDADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccnc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000543615592 1074754124 /nfs/dbraw/zinc/75/41/24/1074754124.db2.gz ZVOPCSGIRPBDOE-IRXDYDNUSA-N 2 2 402.543 1.711 20 0 HDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000477061623 1074771891 /nfs/dbraw/zinc/77/18/91/1074771891.db2.gz WYGDXTVSIJYFTO-GOSISDBHSA-N 2 2 403.571 1.993 20 0 HDADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000477061624 1074771952 /nfs/dbraw/zinc/77/19/52/1074771952.db2.gz WYGDXTVSIJYFTO-SFHVURJKSA-N 2 2 403.571 1.993 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000675481427 1075171366 /nfs/dbraw/zinc/17/13/66/1075171366.db2.gz FCYPARRWHKUXMQ-HNNXBMFYSA-N 2 2 415.460 1.947 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000675481427 1075171371 /nfs/dbraw/zinc/17/13/71/1075171371.db2.gz FCYPARRWHKUXMQ-HNNXBMFYSA-N 2 2 415.460 1.947 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047876 1075340292 /nfs/dbraw/zinc/34/02/92/1075340292.db2.gz VPLDKZHSBQFUSD-JBACZVJFSA-N 3 2 407.603 1.222 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2)CC1 ZINC000676047876 1075340296 /nfs/dbraw/zinc/34/02/96/1075340296.db2.gz VPLDKZHSBQFUSD-JBACZVJFSA-N 3 2 407.603 1.222 20 0 HDADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095510 1075357907 /nfs/dbraw/zinc/35/79/07/1075357907.db2.gz PGSQVIZZPHJKTF-QGZVFWFLSA-N 2 2 404.474 1.939 20 0 HDADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676095510 1075357912 /nfs/dbraw/zinc/35/79/12/1075357912.db2.gz PGSQVIZZPHJKTF-QGZVFWFLSA-N 2 2 404.474 1.939 20 0 HDADLP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccco1 ZINC000563987848 1075432346 /nfs/dbraw/zinc/43/23/46/1075432346.db2.gz GXVBOQZTPHWXPN-SJORKVTESA-N 2 2 404.515 2.059 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243081 1075444023 /nfs/dbraw/zinc/44/40/23/1075444023.db2.gz HYBBFSXGEIBWHN-IKVWTGGYSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243081 1075444027 /nfs/dbraw/zinc/44/40/27/1075444027.db2.gz HYBBFSXGEIBWHN-IKVWTGGYSA-N 2 2 404.555 1.814 20 0 HDADLP C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676243050 1075444035 /nfs/dbraw/zinc/44/40/35/1075444035.db2.gz GVVAWQQKJJTSNI-IRLDBZIGSA-N 2 2 417.598 1.603 20 0 HDADLP C[C@@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676243050 1075444037 /nfs/dbraw/zinc/44/40/37/1075444037.db2.gz GVVAWQQKJJTSNI-IRLDBZIGSA-N 2 2 417.598 1.603 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000731685849 1075448432 /nfs/dbraw/zinc/44/84/32/1075448432.db2.gz DEDOJBOZNRFAGP-HXUWFJFHSA-N 2 2 422.595 1.632 20 0 HDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683662 1075468388 /nfs/dbraw/zinc/46/83/88/1075468388.db2.gz IJDWWFKDPAPEKQ-YLJYHZDGSA-N 2 2 422.595 1.630 20 0 HDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683662 1075468392 /nfs/dbraw/zinc/46/83/92/1075468392.db2.gz IJDWWFKDPAPEKQ-YLJYHZDGSA-N 2 2 422.595 1.630 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000731755100 1075511922 /nfs/dbraw/zinc/51/19/22/1075511922.db2.gz AUWFZYRJLPAIEN-HXUWFJFHSA-N 2 2 422.595 1.632 20 0 HDADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731755739 1075512560 /nfs/dbraw/zinc/51/25/60/1075512560.db2.gz BIBUZKZAVWLZSI-IXDOHACOSA-N 2 2 402.605 1.161 20 0 HDADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731755739 1075512563 /nfs/dbraw/zinc/51/25/63/1075512563.db2.gz BIBUZKZAVWLZSI-IXDOHACOSA-N 2 2 402.605 1.161 20 0 HDADLP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCC1 ZINC000731757503 1075512831 /nfs/dbraw/zinc/51/28/31/1075512831.db2.gz UYCGEQCVJZVVID-IBGZPJMESA-N 2 2 416.632 1.695 20 0 HDADLP CC(C)(C)CC[NH+]1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761375 1075515225 /nfs/dbraw/zinc/51/52/25/1075515225.db2.gz IYCFPGCZEHYHRL-UHFFFAOYSA-N 2 2 402.605 1.259 20 0 HDADLP O=C1C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CN1CC[NH+]1CCOCC1 ZINC000676418720 1075548959 /nfs/dbraw/zinc/54/89/59/1075548959.db2.gz NOHIDYFYEQDSPY-INIZCTEOSA-N 2 2 401.429 1.650 20 0 HDADLP O=C1C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)c2)CN1CC[NH+]1CCOCC1 ZINC000676418721 1075549046 /nfs/dbraw/zinc/54/90/46/1075549046.db2.gz NOHIDYFYEQDSPY-MRXNPFEDSA-N 2 2 401.429 1.650 20 0 HDADLP Cn1cc[nH+]c1C[C@@H](NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000676552212 1075585123 /nfs/dbraw/zinc/58/51/23/1075585123.db2.gz YHZRCZYLQJHWGI-QGZVFWFLSA-N 2 2 409.494 1.217 20 0 HDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000732247287 1075680180 /nfs/dbraw/zinc/68/01/80/1075680180.db2.gz DDGGEMWWYIZQDZ-KRWDZBQOSA-N 2 2 416.632 1.695 20 0 HDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000732247287 1075680181 /nfs/dbraw/zinc/68/01/81/1075680181.db2.gz DDGGEMWWYIZQDZ-KRWDZBQOSA-N 2 2 416.632 1.695 20 0 HDADLP C[NH+](C)CCc1ccc(CNC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)cc1 ZINC000466551588 1075727589 /nfs/dbraw/zinc/72/75/89/1075727589.db2.gz LMHMYZNGBCYBNL-UHFFFAOYSA-N 2 2 400.527 1.641 20 0 HDADLP Fc1ccc(OCC[NH+]2CCC(Nc3cc[nH+]c(N4CCOCC4)n3)CC2)cc1 ZINC000546051419 1075763774 /nfs/dbraw/zinc/76/37/74/1075763774.db2.gz RSYBIQWYVOUZIK-UHFFFAOYSA-N 2 2 401.486 2.408 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000733164002 1075996241 /nfs/dbraw/zinc/99/62/41/1075996241.db2.gz JRCQEEXVRPLJHY-UHFFFAOYSA-N 2 2 408.597 1.780 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000733164002 1075996243 /nfs/dbraw/zinc/99/62/43/1075996243.db2.gz JRCQEEXVRPLJHY-UHFFFAOYSA-N 2 2 408.597 1.780 20 0 HDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000733163973 1075996314 /nfs/dbraw/zinc/99/63/14/1075996314.db2.gz IXXPYVIBEBNJJR-YFHOEESVSA-N 2 2 408.568 1.556 20 0 HDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\c1ccc(NS(C)(=O)=O)cc1 ZINC000733163973 1075996318 /nfs/dbraw/zinc/99/63/18/1075996318.db2.gz IXXPYVIBEBNJJR-YFHOEESVSA-N 2 2 408.568 1.556 20 0 HDADLP C[NH+](C)CC(C)(C)CNC(=S)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000727085675 1076041004 /nfs/dbraw/zinc/04/10/04/1076041004.db2.gz UFKLFMXRQWZAJB-UHFFFAOYSA-N 2 2 408.612 1.950 20 0 HDADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(NC(=O)Oc3ccccc3)CC1)C2=O ZINC000727428861 1076128290 /nfs/dbraw/zinc/12/82/90/1076128290.db2.gz YPCAMDBEXSWEPZ-UHFFFAOYSA-N 2 2 415.494 1.213 20 0 HDADLP NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(C[NH+]3CCOCC3)CC1)CCCC2 ZINC000727832978 1076264425 /nfs/dbraw/zinc/26/44/25/1076264425.db2.gz GSQSXUNIYHVZSA-UHFFFAOYSA-N 2 2 420.579 1.709 20 0 HDADLP O=C1NCCN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)C12C[NH2+]C2 ZINC001164410711 718878805 /nfs/dbraw/zinc/87/88/05/718878805.db2.gz GEYAHEIKPBGYTM-UHFFFAOYSA-N 2 2 412.563 1.444 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nc(Cl)nc2c1CC[NH2+]C2 ZINC001164700982 719843777 /nfs/dbraw/zinc/84/37/77/719843777.db2.gz LLQLOLVSWQFMMC-DJJJIMSYSA-N 2 2 409.918 1.008 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001164704425 719865597 /nfs/dbraw/zinc/86/55/97/719865597.db2.gz LXIKTTOUGXJPDG-VLIAUNLRSA-N 2 2 408.930 1.613 20 0 HDADLP C[NH+]1CCN(c2cccc(N3Cc4ccnn4C[C@H](C(=O)N4CCCC4)C3)[nH+]2)CC1 ZINC001164819842 720266120 /nfs/dbraw/zinc/26/61/20/720266120.db2.gz SLJHZUFRCWCTSD-GOSISDBHSA-N 2 2 409.538 1.289 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC4(CC3)CN(c3cncnc3)C(=O)CO4)[nH+]2)CC1 ZINC001164861136 721038764 /nfs/dbraw/zinc/03/87/64/721038764.db2.gz CXZIOYLXIFEAEZ-UHFFFAOYSA-N 2 2 423.521 1.026 20 0 HDADLP CCOC(=O)c1c(C)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)[nH+]c1C ZINC001164799251 721515238 /nfs/dbraw/zinc/51/52/38/721515238.db2.gz ZWEYXZPYYNIIGH-UHFFFAOYSA-N 2 2 412.538 1.839 20 0 HDADLP C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164807289 721565781 /nfs/dbraw/zinc/56/57/81/721565781.db2.gz SNIWRHFDOQXGIW-QKNQBKEWSA-N 2 2 410.522 1.576 20 0 HDADLP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164807289 721565787 /nfs/dbraw/zinc/56/57/87/721565787.db2.gz SNIWRHFDOQXGIW-QKNQBKEWSA-N 2 2 410.522 1.576 20 0 HDADLP C[NH+]1CCN(c2ncnc3c2CCN(c2cc[nH+]c(N4CCCCC4)n2)CC3)CC1 ZINC001165001503 722236901 /nfs/dbraw/zinc/23/69/01/722236901.db2.gz HTSBNCGDTYLNMA-UHFFFAOYSA-N 2 2 408.554 1.614 20 0 HDADLP Cn1cccc1C(=O)N1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C1 ZINC001165003072 722243882 /nfs/dbraw/zinc/24/38/82/722243882.db2.gz HNPTWCCXOXYJCH-QUCCMNQESA-N 2 2 424.549 1.149 20 0 HDADLP Cn1cccc1C(=O)N1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@H]2C1 ZINC001165003073 722243982 /nfs/dbraw/zinc/24/39/82/722243982.db2.gz HNPTWCCXOXYJCH-UYAOXDASSA-N 2 2 424.549 1.149 20 0 HDADLP C[NH+](C)CCOCc1ncn2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CCC2 ZINC001165001915 722254884 /nfs/dbraw/zinc/25/48/84/722254884.db2.gz JCSCSVZDXZQPMK-UHFFFAOYSA-N 3 2 413.570 1.518 20 0 HDADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673669470 1073621802 /nfs/dbraw/zinc/62/18/02/1073621802.db2.gz QZSNNMQLIBWQHV-INIZCTEOSA-N 2 2 414.554 1.508 20 0 HDADLP Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673669470 1073621806 /nfs/dbraw/zinc/62/18/06/1073621806.db2.gz QZSNNMQLIBWQHV-INIZCTEOSA-N 2 2 414.554 1.508 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673670606 1073625512 /nfs/dbraw/zinc/62/55/12/1073625512.db2.gz ZWSSSDJYTZCJJK-HSZRJFAPSA-N 3 2 413.610 1.826 20 0 HDADLP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673670606 1073625516 /nfs/dbraw/zinc/62/55/16/1073625516.db2.gz ZWSSSDJYTZCJJK-HSZRJFAPSA-N 3 2 413.610 1.826 20 0 HDADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(c2)OCCOCCOCCOCCO3)CC1 ZINC001168741305 1073659019 /nfs/dbraw/zinc/65/90/19/1073659019.db2.gz WRJCAIFBJPHENV-UHFFFAOYSA-N 2 2 408.499 1.102 20 0 HDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000766023919 1073660266 /nfs/dbraw/zinc/66/02/66/1073660266.db2.gz QTQVKLXLDZRCHI-WWNPGLIZSA-N 2 2 402.583 1.272 20 0 HDADLP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000673785077 1073729891 /nfs/dbraw/zinc/72/98/91/1073729891.db2.gz NKPCFCUJBDPGNS-HXUWFJFHSA-N 2 2 402.539 1.790 20 0 HDADLP Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673864099 1073831779 /nfs/dbraw/zinc/83/17/79/1073831779.db2.gz FYKGCVJMOVKARG-UHFFFAOYSA-N 2 2 404.438 1.298 20 0 HDADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)N[C@@H]1C[NH+](C3CC3)C[C@@H]1C)CC2 ZINC000466600201 1074065024 /nfs/dbraw/zinc/06/50/24/1074065024.db2.gz WTTYVKXYWHCVLU-HNAYVOBHSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)N[C@@H]1C[NH+](C3CC3)C[C@@H]1C)CC2 ZINC000466600201 1074065029 /nfs/dbraw/zinc/06/50/29/1074065029.db2.gz WTTYVKXYWHCVLU-HNAYVOBHSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CC2 ZINC000466600201 1074065034 /nfs/dbraw/zinc/06/50/34/1074065034.db2.gz WTTYVKXYWHCVLU-HNAYVOBHSA-N 2 2 402.539 1.844 20 0 HDADLP COc1cc2c(cc1OC)C[NH+](CCNC(=O)N[C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2 ZINC000466600201 1074065039 /nfs/dbraw/zinc/06/50/39/1074065039.db2.gz WTTYVKXYWHCVLU-HNAYVOBHSA-N 2 2 402.539 1.844 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1 ZINC000674631097 1074494946 /nfs/dbraw/zinc/49/49/46/1074494946.db2.gz LLVFXYYHWVHNHT-FUHWJXTLSA-N 2 2 407.946 1.724 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CC(N)=O)c3cccc(Cl)c3)C2)CC1 ZINC000674631097 1074494953 /nfs/dbraw/zinc/49/49/53/1074494953.db2.gz LLVFXYYHWVHNHT-FUHWJXTLSA-N 2 2 407.946 1.724 20 0 HDADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1C1CCCCC1 ZINC000555039513 1074679308 /nfs/dbraw/zinc/67/93/08/1074679308.db2.gz XGQSRTUCECNQTA-UHFFFAOYSA-N 2 2 418.586 2.120 20 0 HDADLP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1C1CCCCC1 ZINC000555039513 1074679311 /nfs/dbraw/zinc/67/93/11/1074679311.db2.gz XGQSRTUCECNQTA-UHFFFAOYSA-N 2 2 418.586 2.120 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000477031225 1074729872 /nfs/dbraw/zinc/72/98/72/1074729872.db2.gz GXZMJPJZDQPUBX-KRWDZBQOSA-N 2 2 417.554 1.052 20 0 HDADLP Cc1cc(NC(=O)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1-c1ccccc1 ZINC000540053255 1074737149 /nfs/dbraw/zinc/73/71/49/1074737149.db2.gz ATVVIDBHRSYTNQ-UHFFFAOYSA-N 2 2 424.549 1.794 20 0 HDADLP C[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000675264971 1074774692 /nfs/dbraw/zinc/77/46/92/1074774692.db2.gz XJOAPHVOOKQHBP-INIZCTEOSA-N 2 2 417.554 1.105 20 0 HDADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782721 1075270926 /nfs/dbraw/zinc/27/09/26/1075270926.db2.gz XLFIZOZPOTZIHB-CYBMUJFWSA-N 2 2 402.417 1.666 20 0 HDADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000675886493 1075289544 /nfs/dbraw/zinc/28/95/44/1075289544.db2.gz SDSIBIRBDIUCSA-MSOLQXFVSA-N 2 2 420.554 1.417 20 0 HDADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000675886509 1075289550 /nfs/dbraw/zinc/28/95/50/1075289550.db2.gz SDSIBIRBDIUCSA-ROUUACIJSA-N 2 2 420.554 1.417 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676242749 1075444982 /nfs/dbraw/zinc/44/49/82/1075444982.db2.gz AOQNBYVBRZWAHL-NQIIRXRSSA-N 2 2 403.571 1.342 20 0 HDADLP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676242749 1075444984 /nfs/dbraw/zinc/44/49/84/1075444984.db2.gz AOQNBYVBRZWAHL-NQIIRXRSSA-N 2 2 403.571 1.342 20 0 HDADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682470 1075464696 /nfs/dbraw/zinc/46/46/96/1075464696.db2.gz SNLVDJIITDDAHQ-KRWDZBQOSA-N 2 2 402.605 1.307 20 0 HDADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731682470 1075464701 /nfs/dbraw/zinc/46/47/01/1075464701.db2.gz SNLVDJIITDDAHQ-KRWDZBQOSA-N 2 2 402.605 1.307 20 0 HDADLP c1ccc(N2CC[NH+](C[C@@H]3CCCN(c4nc(N5CCOCC5)cc[nH+]4)C3)CC2)nc1 ZINC000676309128 1075493632 /nfs/dbraw/zinc/49/36/32/1075493632.db2.gz DHKBCZUGXKXKQG-FQEVSTJZSA-N 2 2 423.565 1.747 20 0 HDADLP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)c1ccco1 ZINC000731758509 1075513294 /nfs/dbraw/zinc/51/32/94/1075513294.db2.gz HWHMGFQGMKPGSM-QGZVFWFLSA-N 2 2 414.572 1.471 20 0 HDADLP CC[NH+](CC)CC1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC000731761602 1075514916 /nfs/dbraw/zinc/51/49/16/1075514916.db2.gz UHULUGYBYXCELJ-UHFFFAOYSA-N 2 2 402.605 1.259 20 0 HDADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000731761566 1075514967 /nfs/dbraw/zinc/51/49/67/1075514967.db2.gz RKTVYDMDWXFMEC-UHFFFAOYSA-N 2 2 424.611 1.311 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000509416857 1075565971 /nfs/dbraw/zinc/56/59/71/1075565971.db2.gz NUFNMGWGHHONLH-VQTJNVASSA-N 2 2 410.603 1.897 20 0 HDADLP CN(C(=O)NCCC1(O)CCOCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000509416857 1075565976 /nfs/dbraw/zinc/56/59/76/1075565976.db2.gz NUFNMGWGHHONLH-VQTJNVASSA-N 2 2 410.603 1.897 20 0 HDADLP CCCCNc1cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)nc(N)[nH+]1 ZINC000583644360 1075691882 /nfs/dbraw/zinc/69/18/82/1075691882.db2.gz ATGXYBYHIXDRSB-GOSISDBHSA-N 2 2 411.554 2.002 20 0 HDADLP CCCCNc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)nc(N)[nH+]1 ZINC000583644360 1075691885 /nfs/dbraw/zinc/69/18/85/1075691885.db2.gz ATGXYBYHIXDRSB-GOSISDBHSA-N 2 2 411.554 2.002 20 0 HDADLP CCCCNc1cc(NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH+]c(N)n1 ZINC000583644360 1075691887 /nfs/dbraw/zinc/69/18/87/1075691887.db2.gz ATGXYBYHIXDRSB-GOSISDBHSA-N 2 2 411.554 2.002 20 0 HDADLP CCCCNc1cc(NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[nH+]c(N)n1 ZINC000583644360 1075691888 /nfs/dbraw/zinc/69/18/88/1075691888.db2.gz ATGXYBYHIXDRSB-GOSISDBHSA-N 2 2 411.554 2.002 20 0 HDADLP C[C@@H]1C[NH+](CCCNc2cc(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)ncn2)C[C@@H](C)O1 ZINC000439831674 1075701809 /nfs/dbraw/zinc/70/18/09/1075701809.db2.gz VYDZEKQQQFVCBF-XLLXOSNRSA-N 2 2 420.602 2.299 20 0 HDADLP COc1cc2[nH+]c(NC[C@H]3C[C@@H](O)C[N@@H+]3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304780 1075702593 /nfs/dbraw/zinc/70/25/93/1075702593.db2.gz HZQYFXGGONJOBJ-HZPDHXFCSA-N 2 2 409.490 1.698 20 0 HDADLP COc1cc2[nH+]c(NC[C@H]3C[C@@H](O)C[N@H+]3Cc3ccccc3)nc(N)c2cc1OC ZINC000536304780 1075702598 /nfs/dbraw/zinc/70/25/98/1075702598.db2.gz HZQYFXGGONJOBJ-HZPDHXFCSA-N 2 2 409.490 1.698 20 0 HDADLP Cc1ccccc1Nc1nc(N)nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000497506780 1075721185 /nfs/dbraw/zinc/72/11/85/1075721185.db2.gz QXNFXFLDEIXJFN-DFNIBXOVSA-N 2 2 422.581 1.671 20 0 HDADLP Cc1ccccc1Nc1nc(N)nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000497506780 1075721191 /nfs/dbraw/zinc/72/11/91/1075721191.db2.gz QXNFXFLDEIXJFN-DFNIBXOVSA-N 2 2 422.581 1.671 20 0 HDADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467840 1075755258 /nfs/dbraw/zinc/75/52/58/1075755258.db2.gz YUURVYZRHDDLRP-PWRODBHTSA-N 2 2 402.539 1.092 20 0 HDADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000732467840 1075755263 /nfs/dbraw/zinc/75/52/63/1075755263.db2.gz YUURVYZRHDDLRP-PWRODBHTSA-N 2 2 402.539 1.092 20 0 HDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000671768934 1075779022 /nfs/dbraw/zinc/77/90/22/1075779022.db2.gz IHKWPHSGTUJMHC-UXDRXVOSSA-N 2 2 422.595 1.671 20 0 HDADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000671768934 1075779026 /nfs/dbraw/zinc/77/90/26/1075779026.db2.gz IHKWPHSGTUJMHC-UXDRXVOSSA-N 2 2 422.595 1.671 20 0 HDADLP CN(C(=O)CN1c2ccccc2OCCC1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732558957 1075785656 /nfs/dbraw/zinc/78/56/56/1075785656.db2.gz FLZBWPKEMHPYJV-GOSISDBHSA-N 2 2 400.523 1.429 20 0 HDADLP CN(C(=O)CN1c2ccccc2OCCC1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732558957 1075785660 /nfs/dbraw/zinc/78/56/60/1075785660.db2.gz FLZBWPKEMHPYJV-GOSISDBHSA-N 2 2 400.523 1.429 20 0 HDADLP O=C([C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1)N1CCOCC1 ZINC000509275792 1075801286 /nfs/dbraw/zinc/80/12/86/1075801286.db2.gz GZAXABGLZOFRMP-OAQYLSRUSA-N 2 2 400.567 1.770 20 0 HDADLP O=C([C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1)N1CCOCC1 ZINC000509275792 1075801291 /nfs/dbraw/zinc/80/12/91/1075801291.db2.gz GZAXABGLZOFRMP-OAQYLSRUSA-N 2 2 400.567 1.770 20 0 HDADLP COCC1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000732797090 1075860491 /nfs/dbraw/zinc/86/04/91/1075860491.db2.gz DPZKSVYMWUFCIW-JOCHJYFZSA-N 2 2 400.523 1.889 20 0 HDADLP COCC1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)CC1 ZINC000732797090 1075860493 /nfs/dbraw/zinc/86/04/93/1075860493.db2.gz DPZKSVYMWUFCIW-JOCHJYFZSA-N 2 2 400.523 1.889 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732781808 1075866598 /nfs/dbraw/zinc/86/65/98/1075866598.db2.gz UEHAJGYUBDPSTH-MRXNPFEDSA-N 2 2 406.527 1.333 20 0 HDADLP COCCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000732781808 1075866602 /nfs/dbraw/zinc/86/66/02/1075866602.db2.gz UEHAJGYUBDPSTH-MRXNPFEDSA-N 2 2 406.527 1.333 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781731 1075866847 /nfs/dbraw/zinc/86/68/47/1075866847.db2.gz SLRPEMKNGYMAAD-WOJBJXKFSA-N 2 2 410.562 1.813 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)C2)CC1 ZINC000732781731 1075866852 /nfs/dbraw/zinc/86/68/52/1075866852.db2.gz SLRPEMKNGYMAAD-WOJBJXKFSA-N 2 2 410.562 1.813 20 0 HDADLP O=S(=O)(CC[NH2+]Cc1cnc2ccccc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000727466952 1076136885 /nfs/dbraw/zinc/13/68/85/1076136885.db2.gz MKARIEAUTUNXEE-UHFFFAOYSA-N 2 2 411.531 1.871 20 0 HDADLP C[C@H]([NH2+]C1(CNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646532 1076138967 /nfs/dbraw/zinc/13/89/67/1076138967.db2.gz NKSCQWNKIOSCTB-MOPGFXCFSA-N 2 2 404.555 1.906 20 0 HDADLP C[C@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CCO[C@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646532 1076138971 /nfs/dbraw/zinc/13/89/71/1076138971.db2.gz NKSCQWNKIOSCTB-MOPGFXCFSA-N 2 2 404.555 1.906 20 0 HDADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000733855303 1076231099 /nfs/dbraw/zinc/23/10/99/1076231099.db2.gz HFUPTJUUFUQWBF-UHFFFAOYSA-N 2 2 402.418 1.411 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3C[N@H+](C)Cc4ccccc43)CC2)CC1 ZINC000534559006 1076248892 /nfs/dbraw/zinc/24/88/92/1076248892.db2.gz BTDVQJDSAOSTCI-OAQYLSRUSA-N 2 2 413.566 1.759 20 0 HDADLP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3C[N@@H+](C)Cc4ccccc43)CC2)CC1 ZINC000534559006 1076248898 /nfs/dbraw/zinc/24/88/98/1076248898.db2.gz BTDVQJDSAOSTCI-OAQYLSRUSA-N 2 2 413.566 1.759 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535267094 1076251078 /nfs/dbraw/zinc/25/10/78/1076251078.db2.gz AUBOPCCJCVZUHW-FQEVSTJZSA-N 2 2 409.538 1.475 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535267094 1076251081 /nfs/dbraw/zinc/25/10/81/1076251081.db2.gz AUBOPCCJCVZUHW-FQEVSTJZSA-N 2 2 409.538 1.475 20 0 HDADLP O=C(c1cccnc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164390044 718823556 /nfs/dbraw/zinc/82/35/56/718823556.db2.gz LGYPANUCVBMCDK-VXKWHMMOSA-N 2 2 421.545 1.607 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1nccc(C2CC[NH2+]CC2)n1 ZINC001164703214 719862707 /nfs/dbraw/zinc/86/27/07/719862707.db2.gz PLJPNMXATDWVSU-UWJYYQICSA-N 2 2 403.527 1.176 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCC([NH3+])CC2)n1 ZINC001164699207 719864396 /nfs/dbraw/zinc/86/43/96/719864396.db2.gz AYWMFAMKQLERON-AVRDEDQJSA-N 2 2 417.554 1.242 20 0 HDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001164704426 719865712 /nfs/dbraw/zinc/86/57/12/719865712.db2.gz LXIKTTOUGXJPDG-XOBRGWDASA-N 2 2 408.930 1.613 20 0 HDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncccc1C[NH+]1CCCC1 ZINC001164701320 719878164 /nfs/dbraw/zinc/87/81/64/719878164.db2.gz NCMSERXVBPUOER-KNQAVFIVSA-N 2 2 402.539 1.910 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCOC[C@@]4(CC[C@@H](Cn5cccn5)O4)C3)[nH+]2)CC1 ZINC001164803251 720049510 /nfs/dbraw/zinc/04/95/10/720049510.db2.gz JRDSBGDKTFLPLW-SIKLNZKXSA-N 2 2 412.538 1.485 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(Cn3cncn3)c[nH+]2)CC1 ZINC001164821714 720338700 /nfs/dbraw/zinc/33/87/00/720338700.db2.gz BMEXQBREVRVIMF-UXHICEINSA-N 2 2 409.538 1.633 20 0 HDADLP CC(C)NC(=O)C[C@@H]1COC[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C[C@@H]21 ZINC001164826295 720419930 /nfs/dbraw/zinc/41/99/30/720419930.db2.gz PCZMGRZVUJQIRL-CEXWTWQISA-N 2 2 401.555 1.447 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164739006 720749178 /nfs/dbraw/zinc/74/91/78/720749178.db2.gz HKQABBQDSIDCAJ-CABCVRRESA-N 2 2 408.462 1.872 20 0 HDADLP CCOC(=O)c1c[nH]c2cc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)[nH+]cc21 ZINC001164739006 720749188 /nfs/dbraw/zinc/74/91/88/720749188.db2.gz HKQABBQDSIDCAJ-CABCVRRESA-N 2 2 408.462 1.872 20 0 HDADLP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc5c4CC[NH2+]C5)C3)O2)CC1 ZINC001164891884 721390289 /nfs/dbraw/zinc/39/02/89/721390289.db2.gz RDGMGZPKJVDBAZ-IIBYNOLFSA-N 2 2 420.989 1.541 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(CCN(c5cncnc5)C4=O)C3)[nH+]2)CC1 ZINC001165019453 721784575 /nfs/dbraw/zinc/78/45/75/721784575.db2.gz LJAPGZFWIJUYJA-JOCHJYFZSA-N 2 2 407.522 1.647 20 0 HDADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4cc[nH+]c(N5CCOCC5)n4)CC3)C2)ccn1 ZINC001164964039 722057757 /nfs/dbraw/zinc/05/77/57/722057757.db2.gz RAXWNTQSGOMTNY-UHFFFAOYSA-N 2 2 424.549 1.827 20 0 HDADLP c1cc(C[N@H+]2CCOCC3(CCN(c4cc[nH+]c(N5CCOCC5)n4)CC3)C2)ccn1 ZINC001164964039 722057759 /nfs/dbraw/zinc/05/77/59/722057759.db2.gz RAXWNTQSGOMTNY-UHFFFAOYSA-N 2 2 424.549 1.827 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164980525 722129197 /nfs/dbraw/zinc/12/91/97/722129197.db2.gz RRCOPFNWPJSVFY-FCHUYYIVSA-N 3 2 422.577 1.956 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)[nH+]2)CC1 ZINC001164980525 722129199 /nfs/dbraw/zinc/12/91/99/722129199.db2.gz RRCOPFNWPJSVFY-FCHUYYIVSA-N 3 2 422.577 1.956 20 0 HDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766023403 1073670321 /nfs/dbraw/zinc/67/03/21/1073670321.db2.gz MRQWOBRYVSQCGJ-WBVHZDCISA-N 2 2 417.522 1.740 20 0 HDADLP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CCC[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000674204427 1074219961 /nfs/dbraw/zinc/21/99/61/1074219961.db2.gz XZVLNUUHSVOYEL-HXUWFJFHSA-N 2 2 410.522 1.433 20 0 HDADLP COC1CC[NH+](CCNC(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000674326978 1074276298 /nfs/dbraw/zinc/27/62/98/1074276298.db2.gz IKRHTIPKXUTHPJ-UHFFFAOYSA-N 2 2 420.554 1.308 20 0 HDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668307 1074518605 /nfs/dbraw/zinc/51/86/05/1074518605.db2.gz XPPNICPOZVMTCB-LPHOPBHVSA-N 2 2 407.580 1.821 20 0 HDADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000674668307 1074518616 /nfs/dbraw/zinc/51/86/16/1074518616.db2.gz XPPNICPOZVMTCB-LPHOPBHVSA-N 2 2 407.580 1.821 20 0 HDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700021 1074528815 /nfs/dbraw/zinc/52/88/15/1074528815.db2.gz ZYOCECSBTBBQQC-HXUWFJFHSA-N 2 2 415.582 1.799 20 0 HDADLP Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(N2CCOCC2)c1 ZINC000674700021 1074528821 /nfs/dbraw/zinc/52/88/21/1074528821.db2.gz ZYOCECSBTBBQQC-HXUWFJFHSA-N 2 2 415.582 1.799 20 0 HDADLP C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000670482920 1074550498 /nfs/dbraw/zinc/55/04/98/1074550498.db2.gz RQTZIPNCMYGVEL-GHTZIAJQSA-N 2 2 400.567 1.751 20 0 HDADLP C[C@@H](CCc1ccccc1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000670482920 1074550502 /nfs/dbraw/zinc/55/05/02/1074550502.db2.gz RQTZIPNCMYGVEL-GHTZIAJQSA-N 2 2 400.567 1.751 20 0 HDADLP COc1ccc(-n2cc(CNC(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)nn2)cc1 ZINC000674777599 1074552751 /nfs/dbraw/zinc/55/27/51/1074552751.db2.gz BJRGEPGZVKIACY-INIZCTEOSA-N 2 2 413.526 1.244 20 0 HDADLP COc1ccc(-n2cc(CNC(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)nn2)cc1 ZINC000674777599 1074552758 /nfs/dbraw/zinc/55/27/58/1074552758.db2.gz BJRGEPGZVKIACY-INIZCTEOSA-N 2 2 413.526 1.244 20 0 HDADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000477032735 1074733642 /nfs/dbraw/zinc/73/36/42/1074733642.db2.gz KHVRIMILVPGIHJ-ZWKOTPCHSA-N 2 2 404.555 1.747 20 0 HDADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000435253152 1075163856 /nfs/dbraw/zinc/16/38/56/1075163856.db2.gz BMMNHISAWVMIPH-UHFFFAOYSA-N 2 2 419.489 2.145 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000675481431 1075171427 /nfs/dbraw/zinc/17/14/27/1075171427.db2.gz FCYPARRWHKUXMQ-OAHLLOKOSA-N 2 2 415.460 1.947 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOc3ccc(C(F)(F)F)cn3)C2)CC1 ZINC000675481431 1075171431 /nfs/dbraw/zinc/17/14/31/1075171431.db2.gz FCYPARRWHKUXMQ-OAHLLOKOSA-N 2 2 415.460 1.947 20 0 HDADLP CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675606189 1075222252 /nfs/dbraw/zinc/22/22/52/1075222252.db2.gz YBBPFZJNBMCJFT-HNNXBMFYSA-N 2 2 410.921 1.836 20 0 HDADLP CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675606189 1075222255 /nfs/dbraw/zinc/22/22/55/1075222255.db2.gz YBBPFZJNBMCJFT-HNNXBMFYSA-N 2 2 410.921 1.836 20 0 HDADLP CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675606193 1075222317 /nfs/dbraw/zinc/22/23/17/1075222317.db2.gz YBBPFZJNBMCJFT-OAHLLOKOSA-N 2 2 410.921 1.836 20 0 HDADLP CN(C(=O)CNC(=O)c1c(F)cccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675606193 1075222321 /nfs/dbraw/zinc/22/23/21/1075222321.db2.gz YBBPFZJNBMCJFT-OAHLLOKOSA-N 2 2 410.921 1.836 20 0 HDADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509357381 1075241649 /nfs/dbraw/zinc/24/16/49/1075241649.db2.gz KNJBIDQKOZHLIG-QFIPXVFZSA-N 2 2 413.610 1.827 20 0 HDADLP COc1cccc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821633 1075277615 /nfs/dbraw/zinc/27/76/15/1075277615.db2.gz KFLJGWAXUNGDSP-NQIIRXRSSA-N 2 2 402.539 1.947 20 0 HDADLP COc1cccc([C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)CCO2)c1 ZINC000675821633 1075277617 /nfs/dbraw/zinc/27/76/17/1075277617.db2.gz KFLJGWAXUNGDSP-NQIIRXRSSA-N 2 2 402.539 1.947 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000731686329 1075447162 /nfs/dbraw/zinc/44/71/62/1075447162.db2.gz ZIZSIPLHWPXXPD-UHFFFAOYSA-N 2 2 422.595 1.591 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000731685848 1075448497 /nfs/dbraw/zinc/44/84/97/1075448497.db2.gz DEDOJBOZNRFAGP-FQEVSTJZSA-N 2 2 422.595 1.632 20 0 HDADLP C[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676262268 1075461816 /nfs/dbraw/zinc/46/18/16/1075461816.db2.gz BUGRVMKSVKUMSV-LAUBAEHRSA-N 2 2 415.538 1.814 20 0 HDADLP C[C@H](NC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676262268 1075461823 /nfs/dbraw/zinc/46/18/23/1075461823.db2.gz BUGRVMKSVKUMSV-LAUBAEHRSA-N 2 2 415.538 1.814 20 0 HDADLP C[N@H+](CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCCC1 ZINC000731680472 1075462317 /nfs/dbraw/zinc/46/23/17/1075462317.db2.gz MXXMCTPYYLCEKO-UHFFFAOYSA-N 2 2 402.605 1.449 20 0 HDADLP C[N@@H+](CCCNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C1CCCCC1 ZINC000731680472 1075462322 /nfs/dbraw/zinc/46/23/22/1075462322.db2.gz MXXMCTPYYLCEKO-UHFFFAOYSA-N 2 2 402.605 1.449 20 0 HDADLP C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676279798 1075482672 /nfs/dbraw/zinc/48/26/72/1075482672.db2.gz QHWXPAVEWPUFSF-YJBOKZPZSA-N 2 2 406.552 1.009 20 0 HDADLP C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279798 1075482677 /nfs/dbraw/zinc/48/26/77/1075482677.db2.gz QHWXPAVEWPUFSF-YJBOKZPZSA-N 2 2 406.552 1.009 20 0 HDADLP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)[NH+]1CCCCCC1 ZINC000731755929 1075512343 /nfs/dbraw/zinc/51/23/43/1075512343.db2.gz BZGZKXUFWDKXCS-LJQANCHMSA-N 2 2 416.632 1.695 20 0 HDADLP O=C(CCn1cc[nH+]c1)Nc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000676341676 1075515230 /nfs/dbraw/zinc/51/52/30/1075515230.db2.gz CHJZEFUSWSNFQL-HXUWFJFHSA-N 2 2 411.506 1.895 20 0 HDADLP Cc1nc(NCC2([NH+](C)C)CCOCC2)cc(NCC2([NH+](C)C)CCOCC2)[nH+]1 ZINC000576445121 1075524260 /nfs/dbraw/zinc/52/42/60/1075524260.db2.gz QIFAPNNXSLNYIL-UHFFFAOYSA-N 3 2 406.575 1.830 20 0 HDADLP CCN1C(=O)N=NC1C1CC[NH+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000676353557 1075529750 /nfs/dbraw/zinc/52/97/50/1075529750.db2.gz GBKQAVFSJUBVSC-UHFFFAOYSA-N 2 2 412.538 1.527 20 0 HDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478728 1075565977 /nfs/dbraw/zinc/56/59/77/1075565977.db2.gz OTNLCCYQFYXRPV-ZMSDIMECSA-N 2 2 405.524 1.433 20 0 HDADLP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478728 1075565984 /nfs/dbraw/zinc/56/59/84/1075565984.db2.gz OTNLCCYQFYXRPV-ZMSDIMECSA-N 2 2 405.524 1.433 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501189 1075569804 /nfs/dbraw/zinc/56/98/04/1075569804.db2.gz PIQANGCQKRITBW-ZFWWWQNUSA-N 2 2 405.465 1.007 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000676501189 1075569807 /nfs/dbraw/zinc/56/98/07/1075569807.db2.gz PIQANGCQKRITBW-ZFWWWQNUSA-N 2 2 405.465 1.007 20 0 HDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000429470564 1075717265 /nfs/dbraw/zinc/71/72/65/1075717265.db2.gz PKSZYQPYEAAHFQ-QGZVFWFLSA-N 2 2 424.549 1.577 20 0 HDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509443091 1075738435 /nfs/dbraw/zinc/73/84/35/1075738435.db2.gz XDRUJBLWINONRZ-ZCNNSNEGSA-N 2 2 415.582 1.254 20 0 HDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509443091 1075738438 /nfs/dbraw/zinc/73/84/38/1075738438.db2.gz XDRUJBLWINONRZ-ZCNNSNEGSA-N 2 2 415.582 1.254 20 0 HDADLP CCC1(CC)[C@H]([NH2+]CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C[C@H]1OC ZINC000429295329 1075845063 /nfs/dbraw/zinc/84/50/63/1075845063.db2.gz UDLACDOZYCVQHS-IAGOWNOFSA-N 2 2 415.542 1.195 20 0 HDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC(=O)NCc3cccs3)CC2)CC1 ZINC000611181013 1075868198 /nfs/dbraw/zinc/86/81/98/1075868198.db2.gz AQBLFIJBCGWIKN-UHFFFAOYSA-N 2 2 407.584 1.564 20 0 HDADLP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000732885813 1075892814 /nfs/dbraw/zinc/89/28/14/1075892814.db2.gz NRAJURVSLONDEJ-UHFFFAOYSA-N 2 2 415.604 1.277 20 0 HDADLP Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000733154474 1075988553 /nfs/dbraw/zinc/98/85/53/1075988553.db2.gz HZAAVODXJDGPMW-KRWDZBQOSA-N 2 2 414.554 1.048 20 0 HDADLP Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000733154474 1075988554 /nfs/dbraw/zinc/98/85/54/1075988554.db2.gz HZAAVODXJDGPMW-KRWDZBQOSA-N 2 2 414.554 1.048 20 0 HDADLP CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000510280608 1075990212 /nfs/dbraw/zinc/99/02/12/1075990212.db2.gz BQXKFMGICLVKQK-CVEARBPZSA-N 2 2 418.504 1.662 20 0 HDADLP C[C@H]([NH2+]C1(CNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646536 1076139016 /nfs/dbraw/zinc/13/90/16/1076139016.db2.gz NKSCQWNKIOSCTB-OALUTQOASA-N 2 2 404.555 1.906 20 0 HDADLP C[C@H]([NH2+]C1(CNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCOCC1)c1ccccc1 ZINC000733646536 1076139023 /nfs/dbraw/zinc/13/90/23/1076139023.db2.gz NKSCQWNKIOSCTB-OALUTQOASA-N 2 2 404.555 1.906 20 0 HDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000533830202 1076245072 /nfs/dbraw/zinc/24/50/72/1076245072.db2.gz ZBRLXFKUFHVGSX-FQEVSTJZSA-N 2 2 423.517 1.818 20 0 HDADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000533830202 1076245076 /nfs/dbraw/zinc/24/50/76/1076245076.db2.gz ZBRLXFKUFHVGSX-FQEVSTJZSA-N 2 2 423.517 1.818 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535267127 1076250958 /nfs/dbraw/zinc/25/09/58/1076250958.db2.gz AUBOPCCJCVZUHW-HXUWFJFHSA-N 2 2 409.538 1.475 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000535267127 1076250963 /nfs/dbraw/zinc/25/09/63/1076250963.db2.gz AUBOPCCJCVZUHW-HXUWFJFHSA-N 2 2 409.538 1.475 20 0 HDADLP C[N@H+]1Cc2ccccc2[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000536035084 1076254171 /nfs/dbraw/zinc/25/41/71/1076254171.db2.gz FJQULPBZWPPKCU-UXHICEINSA-N 2 2 400.523 1.003 20 0 HDADLP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000536035084 1076254176 /nfs/dbraw/zinc/25/41/76/1076254176.db2.gz FJQULPBZWPPKCU-UXHICEINSA-N 2 2 400.523 1.003 20 0 HDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)CC1 ZINC000730124549 1076465347 /nfs/dbraw/zinc/46/53/47/1076465347.db2.gz BFUPSKIIZCYNBE-QGZVFWFLSA-N 2 2 409.575 1.854 20 0 HDADLP C[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000730670816 1076634645 /nfs/dbraw/zinc/63/46/45/1076634645.db2.gz DRUPGELGFCSWSY-SFHVURJKSA-N 2 2 423.989 1.872 20 0 HDADLP C[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000730670816 1076634646 /nfs/dbraw/zinc/63/46/46/1076634646.db2.gz DRUPGELGFCSWSY-SFHVURJKSA-N 2 2 423.989 1.872 20 0 HDADLP CC1CCN(C(=O)CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000731028832 1076713374 /nfs/dbraw/zinc/71/33/74/1076713374.db2.gz QPLSYWCYVBOFLM-UHFFFAOYSA-N 2 2 401.555 1.951 20 0 HDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cccc(N2CCC([NH3+])CC2)n1 ZINC001164699214 719864370 /nfs/dbraw/zinc/86/43/70/719864370.db2.gz AYWMFAMKQLERON-XMSQKQJNSA-N 2 2 417.554 1.242 20 0 HDADLP Cc1[nH]c2nc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2c1C ZINC001164718768 720183521 /nfs/dbraw/zinc/18/35/21/720183521.db2.gz QVAGFKDTWOWPOC-KRWDZBQOSA-N 2 2 410.526 1.919 20 0 HDADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc[nH+]c(N3CCOCC3)n1)CCC2 ZINC001164812111 720229208 /nfs/dbraw/zinc/22/92/08/720229208.db2.gz BHLWXDMKGGFACV-UHFFFAOYSA-N 2 2 413.526 1.120 20 0 HDADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc[nH+]c(N3CCOCC3)n1)CCC2 ZINC001164812111 720229215 /nfs/dbraw/zinc/22/92/15/720229215.db2.gz BHLWXDMKGGFACV-UHFFFAOYSA-N 2 2 413.526 1.120 20 0 HDADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001164825447 720330746 /nfs/dbraw/zinc/33/07/46/720330746.db2.gz FEJKQLIXUAHDNY-RTWAWAEBSA-N 3 2 412.582 1.403 20 0 HDADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)C1 ZINC001164732920 720523241 /nfs/dbraw/zinc/52/32/41/720523241.db2.gz HKJOSHZPGPPPMM-QGZVFWFLSA-N 2 2 411.558 1.467 20 0 HDADLP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(N3CCCC3)nc(N3CCCC3)[nH+]2)C1 ZINC001164732920 720523246 /nfs/dbraw/zinc/52/32/46/720523246.db2.gz HKJOSHZPGPPPMM-QGZVFWFLSA-N 2 2 411.558 1.467 20 0 HDADLP Cn1ccnc1C(=O)NCc1c[nH+]c2n1CCN(c1cc(C[NH+](C)C)ccn1)CC2 ZINC001165016020 721766073 /nfs/dbraw/zinc/76/60/73/721766073.db2.gz VLVFJBSFYZBYNE-UHFFFAOYSA-N 2 2 408.510 1.066 20 0 HDADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(CCN(c5cncnc5)C4=O)C3)[nH+]2)CC1 ZINC001165019454 721784613 /nfs/dbraw/zinc/78/46/13/721784613.db2.gz LJAPGZFWIJUYJA-QFIPXVFZSA-N 2 2 407.522 1.647 20 0 HDADLP C[NH+](C)CCn1cc(NC(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)cn1 ZINC000673809548 1073761965 /nfs/dbraw/zinc/76/19/65/1073761965.db2.gz HRVHFQSJBHSGOR-UHFFFAOYSA-N 2 2 416.526 1.477 20 0 HDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545303 1074059309 /nfs/dbraw/zinc/05/93/09/1074059309.db2.gz JWMCNMJYFNZDOR-PKOBYXMFSA-N 2 2 400.527 1.391 20 0 HDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000543545303 1074059320 /nfs/dbraw/zinc/05/93/20/1074059320.db2.gz JWMCNMJYFNZDOR-PKOBYXMFSA-N 2 2 400.527 1.391 20 0 HDADLP CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158204 1074195688 /nfs/dbraw/zinc/19/56/88/1074195688.db2.gz KPSAUEGRXAYPJT-WMZOPIPTSA-N 2 2 403.575 1.923 20 0 HDADLP CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1nnc2n1CCCCC2 ZINC000674158204 1074195690 /nfs/dbraw/zinc/19/56/90/1074195690.db2.gz KPSAUEGRXAYPJT-WMZOPIPTSA-N 2 2 403.575 1.923 20 0 HDADLP Cc1cc(N2CCC(NC(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)nc(C)[nH+]1 ZINC000674188053 1074203402 /nfs/dbraw/zinc/20/34/02/1074203402.db2.gz NMMUKYIRFCRAGD-RBUKOAKNSA-N 2 2 402.543 1.303 20 0 HDADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515866 1074412463 /nfs/dbraw/zinc/41/24/63/1074412463.db2.gz GQSQUEJKGGWODX-AEFFLSMTSA-N 2 2 422.595 1.325 20 0 HDADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000674515866 1074412470 /nfs/dbraw/zinc/41/24/70/1074412470.db2.gz GQSQUEJKGGWODX-AEFFLSMTSA-N 2 2 422.595 1.325 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926557 1074624271 /nfs/dbraw/zinc/62/42/71/1074624271.db2.gz CIPQXSIEUFFWIM-ZWKOTPCHSA-N 2 2 401.555 1.742 20 0 HDADLP COc1ccccc1N1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000674926557 1074624273 /nfs/dbraw/zinc/62/42/73/1074624273.db2.gz CIPQXSIEUFFWIM-ZWKOTPCHSA-N 2 2 401.555 1.742 20 0 HDADLP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000509312133 1074735078 /nfs/dbraw/zinc/73/50/78/1074735078.db2.gz YLINUTXCADWIHJ-UHFFFAOYSA-N 2 2 402.543 1.377 20 0 HDADLP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@H+](Cc2ccccc2)C1 ZINC001128961220 1074766800 /nfs/dbraw/zinc/76/68/00/1074766800.db2.gz REXWDRWPEQLIQQ-FCEUIQTBSA-N 2 2 401.551 1.847 20 0 HDADLP C[C@H]1CN(C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC[N@@H+](Cc2ccccc2)C1 ZINC001128961220 1074766809 /nfs/dbraw/zinc/76/68/09/1074766809.db2.gz REXWDRWPEQLIQQ-FCEUIQTBSA-N 2 2 401.551 1.847 20 0 HDADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000438362350 1074781580 /nfs/dbraw/zinc/78/15/80/1074781580.db2.gz YZXLSARLNQEOJM-KRWDZBQOSA-N 2 2 418.567 2.235 20 0 HDADLP C[NH+](C)[C@H](CNC(=O)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000670502720 1074815906 /nfs/dbraw/zinc/81/59/06/1074815906.db2.gz OACRLXNOLDDZTH-JOCHJYFZSA-N 2 2 423.561 1.344 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497055 1075177371 /nfs/dbraw/zinc/17/73/71/1075177371.db2.gz UPCSWFWEWFEPMM-RBUKOAKNSA-N 2 2 405.587 1.635 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCN(C(=O)C4CCCCC4)C3)C2)CC1 ZINC000675497055 1075177372 /nfs/dbraw/zinc/17/73/72/1075177372.db2.gz UPCSWFWEWFEPMM-RBUKOAKNSA-N 2 2 405.587 1.635 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000675605462 1075221121 /nfs/dbraw/zinc/22/11/21/1075221121.db2.gz MJBVEDAFZSSLSC-QUCCMNQESA-N 2 2 414.550 1.624 20 0 HDADLP CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000675605462 1075221124 /nfs/dbraw/zinc/22/11/24/1075221124.db2.gz MJBVEDAFZSSLSC-QUCCMNQESA-N 2 2 414.550 1.624 20 0 HDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000675885442 1075289075 /nfs/dbraw/zinc/28/90/75/1075289075.db2.gz ALYYLSZTSIFZCC-AZUAARDMSA-N 2 2 422.595 1.284 20 0 HDADLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1OCC(=O)N(C)C ZINC000675887153 1075289824 /nfs/dbraw/zinc/28/98/24/1075289824.db2.gz YHOBGNHDFZNHND-CTNGQTDRSA-N 2 2 418.582 1.601 20 0 HDADLP Cc1ccc(NCCCNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[nH+]c1 ZINC000548444760 1075304958 /nfs/dbraw/zinc/30/49/58/1075304958.db2.gz KALVQMJZAOQENH-LJQANCHMSA-N 2 2 411.554 2.097 20 0 HDADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@@H](C)O1 ZINC000676090512 1075374905 /nfs/dbraw/zinc/37/49/05/1075374905.db2.gz RILXGJKNCKHRMW-HUUCEWRRSA-N 2 2 400.483 1.210 20 0 HDADLP CS(=O)(=O)CC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000731650482 1075430836 /nfs/dbraw/zinc/43/08/36/1075430836.db2.gz GRGCOPUVEBHMGI-UHFFFAOYSA-N 2 2 407.580 1.911 20 0 HDADLP C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676243051 1075444206 /nfs/dbraw/zinc/44/42/06/1075444206.db2.gz GVVAWQQKJJTSNI-RBBKRZOGSA-N 2 2 417.598 1.603 20 0 HDADLP C[C@H](NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676243051 1075444210 /nfs/dbraw/zinc/44/42/10/1075444210.db2.gz GVVAWQQKJJTSNI-RBBKRZOGSA-N 2 2 417.598 1.603 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)c1 ZINC000676243650 1075445858 /nfs/dbraw/zinc/44/58/58/1075445858.db2.gz RGSVZQLRGCKOPZ-FPOVZHCZSA-N 2 2 403.571 1.525 20 0 HDADLP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)c1 ZINC000676243650 1075445859 /nfs/dbraw/zinc/44/58/59/1075445859.db2.gz RGSVZQLRGCKOPZ-FPOVZHCZSA-N 2 2 403.571 1.525 20 0 HDADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676246455 1075448013 /nfs/dbraw/zinc/44/80/13/1075448013.db2.gz UKIAXOPFZJSAAX-FXAWDEMLSA-N 2 2 423.989 1.870 20 0 HDADLP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246455 1075448018 /nfs/dbraw/zinc/44/80/18/1075448018.db2.gz UKIAXOPFZJSAAX-FXAWDEMLSA-N 2 2 423.989 1.870 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731684063 1075467499 /nfs/dbraw/zinc/46/74/99/1075467499.db2.gz PKVOFTXNHWCKSF-CALCHBBNSA-N 2 2 416.632 1.551 20 0 HDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731684063 1075467503 /nfs/dbraw/zinc/46/75/03/1075467503.db2.gz PKVOFTXNHWCKSF-CALCHBBNSA-N 2 2 416.632 1.551 20 0 HDADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683660 1075468244 /nfs/dbraw/zinc/46/82/44/1075468244.db2.gz IJDWWFKDPAPEKQ-XLIONFOSSA-N 2 2 422.595 1.630 20 0 HDADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)C1 ZINC000731683660 1075468250 /nfs/dbraw/zinc/46/82/50/1075468250.db2.gz IJDWWFKDPAPEKQ-XLIONFOSSA-N 2 2 422.595 1.630 20 0 HDADLP C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[N@H+](C)CCO1 ZINC000676279796 1075482707 /nfs/dbraw/zinc/48/27/07/1075482707.db2.gz QHWXPAVEWPUFSF-MAUKXSAKSA-N 2 2 406.552 1.009 20 0 HDADLP C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279796 1075482712 /nfs/dbraw/zinc/48/27/12/1075482712.db2.gz QHWXPAVEWPUFSF-MAUKXSAKSA-N 2 2 406.552 1.009 20 0 HDADLP Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC3)c2)cc[nH+]1 ZINC000544558608 1075536506 /nfs/dbraw/zinc/53/65/06/1075536506.db2.gz SIDROGYSORIASE-FQEVSTJZSA-N 2 2 422.533 1.776 20 0 HDADLP Cc1nc(NCc2cccc(C(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)c2)cc[nH+]1 ZINC000544558608 1075536508 /nfs/dbraw/zinc/53/65/08/1075536508.db2.gz SIDROGYSORIASE-FQEVSTJZSA-N 2 2 422.533 1.776 20 0 HDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1 ZINC000676568098 1075598366 /nfs/dbraw/zinc/59/83/66/1075598366.db2.gz BDRNTQHOMVSDRD-CQSZACIVSA-N 2 2 415.460 1.947 20 0 HDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCOc3ncccc3C(F)(F)F)C2)CC1 ZINC000676568098 1075598370 /nfs/dbraw/zinc/59/83/70/1075598370.db2.gz BDRNTQHOMVSDRD-CQSZACIVSA-N 2 2 415.460 1.947 20 0 HDADLP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509443089 1075738507 /nfs/dbraw/zinc/73/85/07/1075738507.db2.gz XDRUJBLWINONRZ-AQNXPRMDSA-N 2 2 415.582 1.254 20 0 HDADLP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509443089 1075738511 /nfs/dbraw/zinc/73/85/11/1075738511.db2.gz XDRUJBLWINONRZ-AQNXPRMDSA-N 2 2 415.582 1.254 20 0 HDADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(F)cc1 ZINC000524033494 1075748622 /nfs/dbraw/zinc/74/86/22/1075748622.db2.gz VFJXKGRBXSAVET-SFHVURJKSA-N 2 2 404.490 1.779 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779227 1075863760 /nfs/dbraw/zinc/86/37/60/1075863760.db2.gz BDWCKHYFWNGKMO-SHCNBLLESA-N 2 2 412.538 1.603 20 0 HDADLP CC(C)n1ncc2cc(C=CC(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c(=O)[nH]c21 ZINC000732779227 1075863762 /nfs/dbraw/zinc/86/37/62/1075863762.db2.gz BDWCKHYFWNGKMO-SHCNBLLESA-N 2 2 412.538 1.603 20 0 HDADLP Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780090 1075864378 /nfs/dbraw/zinc/86/43/78/1075864378.db2.gz IBWWUTBMAZKWDP-QGZVFWFLSA-N 2 2 414.579 1.827 20 0 HDADLP Cc1ccc(C2N=NC(=S)N2CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000732780090 1075864382 /nfs/dbraw/zinc/86/43/82/1075864382.db2.gz IBWWUTBMAZKWDP-QGZVFWFLSA-N 2 2 414.579 1.827 20 0 HDADLP COC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000732780977 1075865356 /nfs/dbraw/zinc/86/53/56/1075865356.db2.gz NYOBZGXBJINSPK-KRWDZBQOSA-N 2 2 424.586 1.687 20 0 HDADLP COC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000732780977 1075865360 /nfs/dbraw/zinc/86/53/60/1075865360.db2.gz NYOBZGXBJINSPK-KRWDZBQOSA-N 2 2 424.586 1.687 20 0 HDADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)NC(=O)N[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000611181123 1075867958 /nfs/dbraw/zinc/86/79/58/1075867958.db2.gz LCCXKBUFZHFJOJ-ICSRJNTNSA-N 2 2 407.603 1.881 20 0 HDADLP CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000611212201 1075875058 /nfs/dbraw/zinc/87/50/58/1075875058.db2.gz PWZAPQWYWWBPDB-INIZCTEOSA-N 2 2 414.510 1.147 20 0 HDADLP CCOC(=O)c1cnn2c1nccc2C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000611212201 1075875061 /nfs/dbraw/zinc/87/50/61/1075875061.db2.gz PWZAPQWYWWBPDB-INIZCTEOSA-N 2 2 414.510 1.147 20 0 HDADLP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000732917116 1075913624 /nfs/dbraw/zinc/91/36/24/1075913624.db2.gz YCBKAMNTNPJMQT-IBGZPJMESA-N 2 2 416.570 1.664 20 0 HDADLP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000732917116 1075913628 /nfs/dbraw/zinc/91/36/28/1075913628.db2.gz YCBKAMNTNPJMQT-IBGZPJMESA-N 2 2 416.570 1.664 20 0 HDADLP CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000510280630 1075990199 /nfs/dbraw/zinc/99/01/99/1075990199.db2.gz BQXKFMGICLVKQK-HZPDHXFCSA-N 2 2 418.504 1.662 20 0 HDADLP O=C(c1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1)N1CCCC1 ZINC000733365493 1076054465 /nfs/dbraw/zinc/05/44/65/1076054465.db2.gz COSXKCQDECDEBW-UHFFFAOYSA-N 2 2 400.567 1.809 20 0 HDADLP Cc1cc(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](C4OCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000728053826 1076320300 /nfs/dbraw/zinc/32/03/00/1076320300.db2.gz SXSCQHRBVINDRL-GOSISDBHSA-N 2 2 417.554 1.642 20 0 HDADLP Cc1cc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C4OCCO4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000728053826 1076320306 /nfs/dbraw/zinc/32/03/06/1076320306.db2.gz SXSCQHRBVINDRL-GOSISDBHSA-N 2 2 417.554 1.642 20 0 HDADLP O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000728055086 1076322955 /nfs/dbraw/zinc/32/29/55/1076322955.db2.gz IREVZBKREXSQGV-HXUWFJFHSA-N 2 2 403.523 1.220 20 0 HDADLP O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000728055086 1076322961 /nfs/dbraw/zinc/32/29/61/1076322961.db2.gz IREVZBKREXSQGV-HXUWFJFHSA-N 2 2 403.523 1.220 20 0 HDADLP CCN(CC(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000729980251 1076404762 /nfs/dbraw/zinc/40/47/62/1076404762.db2.gz PUVQXPZNRIFCRN-UHFFFAOYSA-N 2 2 415.582 1.210 20 0 HDADLP C[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000729980184 1076405178 /nfs/dbraw/zinc/40/51/78/1076405178.db2.gz LLDAHWPNLVQYQI-SFHVURJKSA-N 2 2 418.557 1.701 20 0 HDADLP