smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1O[C@H](C)C(=O)N(C)C ZINC000793389062 1078163265 /nfs/dbraw/zinc/16/32/65/1078163265.db2.gz UURQFLGIBYJUPB-OAHLLOKOSA-N 0 3 402.491 2.945 20 10 HFCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000793899987 1078332649 /nfs/dbraw/zinc/33/26/49/1078332649.db2.gz DZDZEXWBNMQBSK-MOPGFXCFSA-N 0 3 402.583 2.728 20 10 HFCDHN COc1cc(O)c(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000787438100 1076811061 /nfs/dbraw/zinc/81/10/61/1076811061.db2.gz HUZXKBUSFMEBQI-QGZVFWFLSA-N 0 3 406.429 2.968 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000787715202 1076923798 /nfs/dbraw/zinc/92/37/98/1076923798.db2.gz BJJGEVOVMZBSLP-UHFFFAOYSA-N 0 3 422.573 2.714 20 10 HFCDHN CC(C)(C)OC(=O)N1CCN(CC[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000788019667 1077030276 /nfs/dbraw/zinc/03/02/76/1077030276.db2.gz MAYPKHCZPIFSBJ-HXUWFJFHSA-N 0 3 419.566 2.926 20 10 HFCDHN CC(C)(C)OC(=O)N1CCN(CC[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)CC1 ZINC000788019667 1077030283 /nfs/dbraw/zinc/03/02/83/1077030283.db2.gz MAYPKHCZPIFSBJ-HXUWFJFHSA-N 0 3 419.566 2.926 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@@H]3CCO)cc2F)C[C@@H](C)O1 ZINC000792923631 1078026730 /nfs/dbraw/zinc/02/67/30/1078026730.db2.gz DZIJFAIJKMKJRZ-QWFCFKBJSA-N 0 3 421.557 2.683 20 10 HFCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000806331010 1079602560 /nfs/dbraw/zinc/60/25/60/1079602560.db2.gz XOKJCWHQRDKASG-HXUWFJFHSA-N 0 3 400.567 2.626 20 10 HFCDHN CCOc1cc(C[NH2+]Cc2ccc(OC)cc2[O-])ccc1O[C@@H](C)C(=O)N(C)C ZINC000793389060 1078163176 /nfs/dbraw/zinc/16/31/76/1078163176.db2.gz UURQFLGIBYJUPB-HNNXBMFYSA-N 0 3 402.491 2.945 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](N4CCCCC4)C3)cc2)CC1 ZINC000805023681 1078834722 /nfs/dbraw/zinc/83/47/22/1078834722.db2.gz JZTIEDCEZUOAKT-QFIPXVFZSA-N 0 3 412.578 2.626 20 10 HFCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCC[C@H](C)C1 ZINC000805025671 1078837615 /nfs/dbraw/zinc/83/76/15/1078837615.db2.gz TUTSUYKUGUKJJY-PMACEKPBSA-N 0 3 414.594 2.776 20 10 HFCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCC[C@@H](C)C1 ZINC000805025674 1078837963 /nfs/dbraw/zinc/83/79/63/1078837963.db2.gz TUTSUYKUGUKJJY-WOJBJXKFSA-N 0 3 414.594 2.776 20 10 HFCDHN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC001130497319 1079434278 /nfs/dbraw/zinc/43/42/78/1079434278.db2.gz QRLXESBLQGJPCR-UHFFFAOYSA-N 0 3 402.926 2.594 20 10 HFCDHN Cn1c(=O)sc2cc(CNCc3ccc(N4CCC(O)CC4)c(F)c3)ccc21 ZINC000792931701 1078027923 /nfs/dbraw/zinc/02/79/23/1078027923.db2.gz XPLRQOJSDXYSDM-UHFFFAOYSA-N 0 3 401.507 2.990 20 10 HFCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000807298198 1080491705 /nfs/dbraw/zinc/49/17/05/1080491705.db2.gz YDKXPMQWDWRSSM-UHFFFAOYSA-N 0 3 423.557 2.736 20 10 HFCDHN COC(=O)[C@]12CN(Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000793346180 1078154686 /nfs/dbraw/zinc/15/46/86/1078154686.db2.gz FKHQTSDOMFIQEI-LAUBAEHRSA-N 0 3 403.479 2.597 20 10 HFCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901244 1078332824 /nfs/dbraw/zinc/33/28/24/1078332824.db2.gz LULMZICZZDWYSW-UXHICEINSA-N 0 3 414.594 2.776 20 10 HFCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905150 1078333844 /nfs/dbraw/zinc/33/38/44/1078333844.db2.gz ZYRSLXZCMNVFFN-MSOLQXFVSA-N 0 3 413.518 2.751 20 10 HFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000793900159 1078343941 /nfs/dbraw/zinc/34/39/41/1078343941.db2.gz GSWXNKOYUBXZGH-RTBURBONSA-N 0 3 402.583 2.726 20 10 HFCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000793900090 1078344043 /nfs/dbraw/zinc/34/40/43/1078344043.db2.gz DZDZEXWBNMQBSK-RTBURBONSA-N 0 3 402.583 2.728 20 10 HFCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000804424258 1078470888 /nfs/dbraw/zinc/47/08/88/1078470888.db2.gz CQIBKUJTVOXFRN-NRFANRHFSA-N 0 3 400.567 2.626 20 10 HFCDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1cc(Br)ccc1O ZINC000804738853 1078574891 /nfs/dbraw/zinc/57/48/91/1078574891.db2.gz HIFHTTAGOMPSNY-UHFFFAOYSA-N 0 3 418.335 2.983 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1F ZINC000804853111 1078724723 /nfs/dbraw/zinc/72/47/23/1078724723.db2.gz SZXWHUPXUKIEPJ-LJQANCHMSA-N 0 3 406.546 2.525 20 10 HFCDHN Cc1ccc([C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[NH+]2CCCC2)cc1 ZINC000747217130 1078725760 /nfs/dbraw/zinc/72/57/60/1078725760.db2.gz KEOOEKLMJHTDQY-LJQANCHMSA-N 0 3 417.531 2.639 20 10 HFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000787711317 1076922059 /nfs/dbraw/zinc/92/20/59/1076922059.db2.gz OYCBTJGAGZGDAR-UHFFFAOYSA-N 0 3 422.573 2.666 20 10 HFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798995 1077904352 /nfs/dbraw/zinc/90/43/52/1077904352.db2.gz VNCCWPDLGTWMLO-HZPDHXFCSA-N 0 3 419.547 2.518 20 10 HFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798995 1077904354 /nfs/dbraw/zinc/90/43/54/1077904354.db2.gz VNCCWPDLGTWMLO-HZPDHXFCSA-N 0 3 419.547 2.518 20 10 HFCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CCC(CC(F)(F)F)CC3)CC2)cc1 ZINC000792932884 1078028553 /nfs/dbraw/zinc/02/85/53/1078028553.db2.gz FOPJDZVZYLHNEJ-IBGZPJMESA-N 0 3 415.500 2.843 20 10 HFCDHN CN(C)c1ccc(CNCCNS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000792935328 1078028936 /nfs/dbraw/zinc/02/89/36/1078028936.db2.gz HVOJLHBXXNPVSD-UHFFFAOYSA-N 0 3 401.454 2.840 20 10 HFCDHN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCN2CCC1CC2 ZINC000790671557 1078086279 /nfs/dbraw/zinc/08/62/79/1078086279.db2.gz HOGZLLYJHMKHFP-UHFFFAOYSA-N 0 3 412.456 2.532 20 10 HFCDHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000788607707 1077222538 /nfs/dbraw/zinc/22/25/38/1077222538.db2.gz MHFOSRGHOFDXNL-KZNAEPCWSA-N 0 3 400.972 2.955 20 10 HFCDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788934777 1077369007 /nfs/dbraw/zinc/36/90/07/1077369007.db2.gz ZEMBOEFIRQDEOD-QHCPKHFHSA-N 0 3 420.557 2.636 20 10 HFCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000806331009 1079601979 /nfs/dbraw/zinc/60/19/79/1079601979.db2.gz XOKJCWHQRDKASG-FQEVSTJZSA-N 0 3 400.567 2.626 20 10 HFCDHN C[C@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000806510934 1079787815 /nfs/dbraw/zinc/78/78/15/1079787815.db2.gz BNSHEQRWPLYFKU-CVDCTZTESA-N 0 3 408.546 2.985 20 10 HFCDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000807099031 1080277135 /nfs/dbraw/zinc/27/71/35/1080277135.db2.gz IQDSATGUTBNNMD-UHFFFAOYSA-N 0 3 410.562 2.576 20 10 HFCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804851793 1078720420 /nfs/dbraw/zinc/72/04/20/1078720420.db2.gz PBFHXUQSCRTLRW-SFHVURJKSA-N 0 3 406.546 2.669 20 10 HFCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000805196278 1078970677 /nfs/dbraw/zinc/97/06/77/1078970677.db2.gz SMTPXOKYXATQBG-VWLOTQADSA-N 0 3 422.573 2.848 20 10 HFCDHN COc1ccc(CN2CC[C@@H](N[C@@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170619 1079461560 /nfs/dbraw/zinc/46/15/60/1079461560.db2.gz XLGUDFHRHMTHIN-IFXJQAMLSA-N 0 3 400.475 2.870 20 10 HFCDHN CN(C)[C@]1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCSC1 ZINC000788241196 1077085202 /nfs/dbraw/zinc/08/52/02/1077085202.db2.gz CNSIZAVIXKVTSQ-QFIPXVFZSA-N 0 3 419.591 2.607 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000788929803 1077340934 /nfs/dbraw/zinc/34/09/34/1077340934.db2.gz ZSNKGZMBZVSBEC-UHFFFAOYSA-N 0 3 400.567 2.626 20 10 HFCDHN C[N@H+](CCOc1cccc(CNC(=O)c2cccc(O)c2[O-])c1)C1CCOCC1 ZINC000790641046 1078073635 /nfs/dbraw/zinc/07/36/35/1078073635.db2.gz VASPFLOXBOIEFG-UHFFFAOYSA-N 0 3 400.475 2.517 20 10 HFCDHN C[N@@H+](CCOc1cccc(CNC(=O)c2cccc(O)c2[O-])c1)C1CCOCC1 ZINC000790641046 1078073639 /nfs/dbraw/zinc/07/36/39/1078073639.db2.gz VASPFLOXBOIEFG-UHFFFAOYSA-N 0 3 400.475 2.517 20 10 HFCDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])Nc1ccc(I)cc1 ZINC000793606780 1078223731 /nfs/dbraw/zinc/22/37/31/1078223731.db2.gz NAVCQNJPSYXKKV-UHFFFAOYSA-N 0 3 400.191 2.864 20 10 HFCDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904374 1078333460 /nfs/dbraw/zinc/33/34/60/1078333460.db2.gz XJMAKTBNPWVTFH-VQTJNVASSA-N 0 3 414.594 2.872 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1F ZINC000804852261 1078721878 /nfs/dbraw/zinc/72/18/78/1078721878.db2.gz FKQHPVCLOMJFHL-UHFFFAOYSA-N 0 3 406.546 2.621 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](N4CCCCC4)C3)cc2)CC1 ZINC000805023582 1078835112 /nfs/dbraw/zinc/83/51/12/1078835112.db2.gz JZTIEDCEZUOAKT-JOCHJYFZSA-N 0 3 412.578 2.626 20 10 HFCDHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805024766 1078836910 /nfs/dbraw/zinc/83/69/10/1078836910.db2.gz VMAKRYIFAKPDCS-HXUWFJFHSA-N 0 3 400.567 2.530 20 10 HFCDHN CN(C)Cc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000788598284 1077217900 /nfs/dbraw/zinc/21/79/00/1077217900.db2.gz PHMAALHWCCHIGO-UHFFFAOYSA-N 0 3 405.589 2.780 20 10 HFCDHN CN1CCN(c2ccc(CN[C@@H](C(N)=O)c3cccc(Br)c3)cc2)CC1 ZINC000793267267 1078114310 /nfs/dbraw/zinc/11/43/10/1078114310.db2.gz TXNPCUAJZPNVEV-LJQANCHMSA-N 0 3 417.351 2.517 20 10 HFCDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805019729 1078830338 /nfs/dbraw/zinc/83/03/38/1078830338.db2.gz KCWHQRYJYQGFGG-YADHBBJMSA-N 0 3 412.578 2.624 20 10 HFCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000805196277 1078970751 /nfs/dbraw/zinc/97/07/51/1078970751.db2.gz SMTPXOKYXATQBG-RUZDIDTESA-N 0 3 422.573 2.848 20 10 HFCDHN C[C@@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000806171324 1079462771 /nfs/dbraw/zinc/46/27/71/1079462771.db2.gz YVOFYESRVZOOMA-SJLPKXTDSA-N 0 3 412.575 2.737 20 10 HFCDHN COCCN(C)c1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000790955167 1077253686 /nfs/dbraw/zinc/25/36/86/1077253686.db2.gz BZRFYMVRYUACBV-UHFFFAOYSA-N 0 3 402.514 2.554 20 10 HFCDHN CCCN(CC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)Cc1ccccc1O ZINC000772798050 1077900344 /nfs/dbraw/zinc/90/03/44/1077900344.db2.gz NBLYELKOHPFKBX-UHFFFAOYSA-N 0 3 410.518 2.981 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@@H]3CCO)cc2F)C[C@H](C)O1 ZINC000792923633 1078026783 /nfs/dbraw/zinc/02/67/83/1078026783.db2.gz DZIJFAIJKMKJRZ-WSTZPKSXSA-N 0 3 421.557 2.683 20 10 HFCDHN CN1CCN(c2ccc(CN[C@@H](C(N)=O)c3ccc(Br)cc3)cc2)CC1 ZINC000793265823 1078113755 /nfs/dbraw/zinc/11/37/55/1078113755.db2.gz LZIMOGQUSMCQCF-LJQANCHMSA-N 0 3 417.351 2.517 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1F ZINC000793901950 1078333286 /nfs/dbraw/zinc/33/32/86/1078333286.db2.gz PBLJETLAYYKPHU-IRXDYDNUSA-N 0 3 406.546 2.525 20 10 HFCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000804418648 1078468942 /nfs/dbraw/zinc/46/89/42/1078468942.db2.gz SDBIYBLFFPDRGY-OAQYLSRUSA-N 0 3 400.567 2.530 20 10 HFCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806254095 1079522855 /nfs/dbraw/zinc/52/28/55/1079522855.db2.gz ZFJSQSUJQOQNFE-LJQANCHMSA-N 0 3 400.567 2.624 20 10 HFCDHN C[C@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc4c(cc3O)OCO4)c2)C1=O ZINC000790609167 1078074567 /nfs/dbraw/zinc/07/45/67/1078074567.db2.gz JMGFIECIIVBQTF-JOCHJYFZSA-N 0 3 409.442 2.636 20 10 HFCDHN COc1cnccc1N1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000793370834 1078151571 /nfs/dbraw/zinc/15/15/71/1078151571.db2.gz RXXOKZUOKPTIPK-UHFFFAOYSA-N 0 3 408.296 2.889 20 10 HFCDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901241 1078332773 /nfs/dbraw/zinc/33/27/73/1078332773.db2.gz LULMZICZZDWYSW-PMACEKPBSA-N 0 3 414.594 2.776 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1F ZINC000804852282 1078722357 /nfs/dbraw/zinc/72/23/57/1078722357.db2.gz GAXUJOYKEXQQDT-DLBZAZTESA-N 0 3 406.546 2.525 20 10 HFCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805022916 1078833067 /nfs/dbraw/zinc/83/30/67/1078833067.db2.gz IGNOIGFSKBFPND-OAQYLSRUSA-N 0 3 414.594 2.920 20 10 HFCDHN C[C@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000806510936 1079787917 /nfs/dbraw/zinc/78/79/17/1079787917.db2.gz BNSHEQRWPLYFKU-WMZHIEFXSA-N 0 3 408.546 2.985 20 10 HFCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCCCC1 ZINC000793710740 1078260540 /nfs/dbraw/zinc/26/05/40/1078260540.db2.gz UDGWODAFQDVAEU-LJQANCHMSA-N 0 3 400.567 2.530 20 10 HFCDHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000804418647 1078468875 /nfs/dbraw/zinc/46/88/75/1078468875.db2.gz SDBIYBLFFPDRGY-NRFANRHFSA-N 0 3 400.567 2.530 20 10 HFCDHN C[C@H]1[C@H](N2CCCC2)CCN1CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000805766983 1079269512 /nfs/dbraw/zinc/26/95/12/1079269512.db2.gz DWYKMVWCPDPKQM-HRAATJIYSA-N 0 3 417.509 2.959 20 10 HFCDHN CC(C)N1CCN(CCCOC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000792133251 1077717939 /nfs/dbraw/zinc/71/79/39/1077717939.db2.gz IRASHSAKMDMWNN-UHFFFAOYSA-N 0 3 402.564 2.889 20 10 HFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772799000 1077904333 /nfs/dbraw/zinc/90/43/33/1077904333.db2.gz VNCCWPDLGTWMLO-JKSUJKDBSA-N 0 3 419.547 2.518 20 10 HFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772799000 1077904334 /nfs/dbraw/zinc/90/43/34/1077904334.db2.gz VNCCWPDLGTWMLO-JKSUJKDBSA-N 0 3 419.547 2.518 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@]4(C3)CCCOC4)cc2F)C[C@H](C)O1 ZINC000792940759 1078022362 /nfs/dbraw/zinc/02/23/62/1078022362.db2.gz PVQKZZYOYWJINU-IXFSTUDKSA-N 0 3 419.541 2.558 20 10 HFCDHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436439 1078030481 /nfs/dbraw/zinc/03/04/81/1078030481.db2.gz YLZLWLWGXZTUIO-JPLJXNOCSA-N 0 3 421.557 2.681 20 10 HFCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000806254093 1079522114 /nfs/dbraw/zinc/52/21/14/1079522114.db2.gz ZFJSQSUJQOQNFE-IBGZPJMESA-N 0 3 400.567 2.624 20 10 HFCDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000807289921 1080455324 /nfs/dbraw/zinc/45/53/24/1080455324.db2.gz MXECJOFDYRQAIF-UHFFFAOYSA-N 0 3 420.557 2.578 20 10 HFCDHN CN(C)c1ccc(CN[C@@H]2CCCN(Cc3nccn3C)C2=O)c(C(F)(F)F)c1 ZINC000793072264 1078062774 /nfs/dbraw/zinc/06/27/74/1078062774.db2.gz DHMXVFWHOABQHK-QGZVFWFLSA-N 0 3 409.456 2.786 20 10 HFCDHN CN(C)c1ccc(CNCCNS(=O)(=O)c2cccs2)c(C(F)(F)F)c1 ZINC000793028633 1078059248 /nfs/dbraw/zinc/05/92/48/1078059248.db2.gz XIBUMPQCAWLZBC-UHFFFAOYSA-N 0 3 407.483 2.901 20 10 HFCDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905261 1078333824 /nfs/dbraw/zinc/33/38/24/1078333824.db2.gz ZYRSLXZCMNVFFN-ZWKOTPCHSA-N 0 3 413.518 2.751 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)cc2)CC1 ZINC000805025661 1078837575 /nfs/dbraw/zinc/83/75/75/1078837575.db2.gz STSZLXFNHYYXDS-OAQYLSRUSA-N 0 3 414.594 2.776 20 10 HFCDHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000788607712 1077222485 /nfs/dbraw/zinc/22/24/85/1077222485.db2.gz MHFOSRGHOFDXNL-OKZBNKHCSA-N 0 3 400.972 2.955 20 10 HFCDHN C[C@H](Cn1cccn1)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750099 1077966309 /nfs/dbraw/zinc/96/63/09/1077966309.db2.gz ICEUIZBFLKFZLV-HUUCEWRRSA-N 0 3 402.454 2.664 20 10 HFCDHN C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750097 1077966366 /nfs/dbraw/zinc/96/63/66/1077966366.db2.gz ICEUIZBFLKFZLV-GJZGRUSLSA-N 0 3 402.454 2.664 20 10 HFCDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905258 1078333913 /nfs/dbraw/zinc/33/39/13/1078333913.db2.gz ZYRSLXZCMNVFFN-ROUUACIJSA-N 0 3 413.518 2.751 20 10 HFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000793900156 1078343985 /nfs/dbraw/zinc/34/39/85/1078343985.db2.gz GSWXNKOYUBXZGH-MOPGFXCFSA-N 0 3 402.583 2.726 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)NCCN3[C@H](C)CCC[C@H]3C)cc2)CC1 ZINC000805022969 1078833382 /nfs/dbraw/zinc/83/33/82/1078833382.db2.gz KCGKMBNHYKBTHX-WOJBJXKFSA-N 0 3 414.594 2.918 20 10 HFCDHN C[C@@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)Cc1ccccc1 ZINC000805942226 1079345065 /nfs/dbraw/zinc/34/50/65/1079345065.db2.gz WHKOGWCTAFPELG-IBGZPJMESA-N 0 3 422.573 2.880 20 10 HFCDHN C[C@H](Cn1cccn1)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750095 1077966281 /nfs/dbraw/zinc/96/62/81/1077966281.db2.gz ICEUIZBFLKFZLV-CABCVRRESA-N 0 3 402.454 2.664 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1F ZINC000793901948 1078333224 /nfs/dbraw/zinc/33/32/24/1078333224.db2.gz PBLJETLAYYKPHU-IAGOWNOFSA-N 0 3 406.546 2.525 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1F ZINC000793901945 1078333237 /nfs/dbraw/zinc/33/32/37/1078333237.db2.gz PBLJETLAYYKPHU-DLBZAZTESA-N 0 3 406.546 2.525 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1F ZINC000793901952 1078333246 /nfs/dbraw/zinc/33/32/46/1078333246.db2.gz PBLJETLAYYKPHU-SJORKVTESA-N 0 3 406.546 2.525 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)cc2)CC1 ZINC000805025660 1078837654 /nfs/dbraw/zinc/83/76/54/1078837654.db2.gz STSZLXFNHYYXDS-NRFANRHFSA-N 0 3 414.594 2.776 20 10 HFCDHN C[C@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000790011707 1077911800 /nfs/dbraw/zinc/91/18/00/1077911800.db2.gz VKHPZQPOGPKUSO-KRWDZBQOSA-N 0 3 403.548 2.624 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@H]3CCO)cc2F)C[C@@H](C)O1 ZINC000792923625 1078026752 /nfs/dbraw/zinc/02/67/52/1078026752.db2.gz DZIJFAIJKMKJRZ-GGPKGHCWSA-N 0 3 421.557 2.683 20 10 HFCDHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436436 1078030545 /nfs/dbraw/zinc/03/05/45/1078030545.db2.gz YLZLWLWGXZTUIO-GNBUJSLZSA-N 0 3 421.557 2.681 20 10 HFCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806254079 1079521917 /nfs/dbraw/zinc/52/19/17/1079521917.db2.gz QUPCJBBBHSKKOW-LJQANCHMSA-N 0 3 413.518 2.895 20 10 HFCDHN CN(C)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000806458635 1079732224 /nfs/dbraw/zinc/73/22/24/1079732224.db2.gz ZREQVNXLIPBESW-FQEVSTJZSA-N 0 3 418.488 2.904 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1F ZINC000804852284 1078722518 /nfs/dbraw/zinc/72/25/18/1078722518.db2.gz GAXUJOYKEXQQDT-IRXDYDNUSA-N 0 3 406.546 2.525 20 10 HFCDHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805023825 1078834757 /nfs/dbraw/zinc/83/47/57/1078834757.db2.gz BRJZVDOGHFVFSJ-UHFFFAOYSA-N 0 3 402.583 2.585 20 10 HFCDHN C[C@H](CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N(C)Cc1ccccc1 ZINC000805942227 1079345269 /nfs/dbraw/zinc/34/52/69/1079345269.db2.gz WHKOGWCTAFPELG-LJQANCHMSA-N 0 3 422.573 2.880 20 10 HFCDHN COc1ccc(CN2CC[C@H](N[C@@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170621 1079461573 /nfs/dbraw/zinc/46/15/73/1079461573.db2.gz XLGUDFHRHMTHIN-LIRRHRJNSA-N 0 3 400.475 2.870 20 10 HFCDHN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(CN4CCCC4)c3)cc2)CC1 ZINC000787322579 1076765846 /nfs/dbraw/zinc/76/58/46/1076765846.db2.gz RKGFDDQMCQYHMF-UHFFFAOYSA-N 0 3 420.557 2.881 20 10 HFCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000787753594 1076928368 /nfs/dbraw/zinc/92/83/68/1076928368.db2.gz ZEPFOUCINIRYQA-LJQANCHMSA-N 0 3 400.567 2.530 20 10 HFCDHN C[C@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000792277180 1077792050 /nfs/dbraw/zinc/79/20/50/1077792050.db2.gz RHAJHHXHMZVHGR-IBGZPJMESA-N 0 3 417.575 2.636 20 10 HFCDHN COc1ccc(CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)c(O)c1 ZINC000792828918 1078007017 /nfs/dbraw/zinc/00/70/17/1078007017.db2.gz LDZLZZNJCPBURP-NRFANRHFSA-N 0 3 412.534 2.579 20 10 HFCDHN CN(C)c1ccc(CN[C@H]2CCCN(Cc3nccn3C)C2=O)c(C(F)(F)F)c1 ZINC000793072257 1078062745 /nfs/dbraw/zinc/06/27/45/1078062745.db2.gz DHMXVFWHOABQHK-KRWDZBQOSA-N 0 3 409.456 2.786 20 10 HFCDHN CN1CCN(c2ccc(CN[C@H](C(N)=O)c3cccc(Br)c3)cc2)CC1 ZINC000793267265 1078114357 /nfs/dbraw/zinc/11/43/57/1078114357.db2.gz TXNPCUAJZPNVEV-IBGZPJMESA-N 0 3 417.351 2.517 20 10 HFCDHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000793717849 1078263866 /nfs/dbraw/zinc/26/38/66/1078263866.db2.gz KSKPHFOHBKICFD-NRFANRHFSA-N 0 3 422.573 2.533 20 10 HFCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000805195957 1078969907 /nfs/dbraw/zinc/96/99/07/1078969907.db2.gz HOLAUVAFDFQVSU-RUZDIDTESA-N 0 3 422.573 2.882 20 10 HFCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000787751207 1076926288 /nfs/dbraw/zinc/92/62/88/1076926288.db2.gz KVWZXKFRPZXWMP-IBGZPJMESA-N 0 3 400.567 2.626 20 10 HFCDHN COc1ccc(N2CCCN(S(=O)(=O)c3ccc(CN(C)C)cc3)CC2)cc1 ZINC000788599719 1077218893 /nfs/dbraw/zinc/21/88/93/1077218893.db2.gz KANIWMXLOMBNQI-UHFFFAOYSA-N 0 3 403.548 2.658 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000788953848 1077361794 /nfs/dbraw/zinc/36/17/94/1077361794.db2.gz DBGMQHFXCZFYJK-NRFANRHFSA-N 0 3 400.567 2.626 20 10 HFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000789902316 1077856344 /nfs/dbraw/zinc/85/63/44/1077856344.db2.gz ACTBDECKAABNJE-JOCHJYFZSA-N 0 3 408.546 2.939 20 10 HFCDHN C[C@@H](N[C@@H](C)Cn1cccn1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000772750104 1077966798 /nfs/dbraw/zinc/96/67/98/1077966798.db2.gz ICEUIZBFLKFZLV-LSDHHAIUSA-N 0 3 402.454 2.664 20 10 HFCDHN CCN1CCN(Cc2ccccc2CNC(=O)NCc2ccc(OC)cc2O)CC1 ZINC000792826287 1078006488 /nfs/dbraw/zinc/00/64/88/1078006488.db2.gz GIVFWLDZNGSMOC-UHFFFAOYSA-N 0 3 412.534 2.538 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CCCCC[C@H]3CCO)cc2F)C[C@H](C)O1 ZINC000792923629 1078026849 /nfs/dbraw/zinc/02/68/49/1078026849.db2.gz DZIJFAIJKMKJRZ-NSHGMRRFSA-N 0 3 421.557 2.683 20 10 HFCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901248 1078332747 /nfs/dbraw/zinc/33/27/47/1078332747.db2.gz LULMZICZZDWYSW-WOJBJXKFSA-N 0 3 414.594 2.776 20 10 HFCDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904370 1078333512 /nfs/dbraw/zinc/33/35/12/1078333512.db2.gz XJMAKTBNPWVTFH-UXHICEINSA-N 0 3 414.594 2.872 20 10 HFCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCC[C@H](C)C1 ZINC000805025673 1078837990 /nfs/dbraw/zinc/83/79/90/1078837990.db2.gz TUTSUYKUGUKJJY-VQTJNVASSA-N 0 3 414.594 2.776 20 10 HFCDHN Cc1cc(Br)cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1[O-] ZINC000792199251 1077742786 /nfs/dbraw/zinc/74/27/86/1077742786.db2.gz CPHIXNVDZSLDOB-UHFFFAOYSA-N 0 3 414.321 2.519 20 10 HFCDHN Cc1cc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc(N2CCN(C(C)C)CC2)c1 ZINC000792210292 1077765878 /nfs/dbraw/zinc/76/58/78/1077765878.db2.gz KXCAXOGXGDWDIV-UHFFFAOYSA-N 0 3 424.545 2.828 20 10 HFCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000772797014 1077879926 /nfs/dbraw/zinc/87/99/26/1077879926.db2.gz ASJWOQJYQPXAJA-INIZCTEOSA-N 0 3 419.547 2.882 20 10 HFCDHN CN(C)Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000790020662 1077916029 /nfs/dbraw/zinc/91/60/29/1077916029.db2.gz CJDPPIXGCJTHPD-LJQANCHMSA-N 0 3 404.532 2.824 20 10 HFCDHN COc1ccc([C@H](CN(C)C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000806513041 1079788513 /nfs/dbraw/zinc/78/85/13/1079788513.db2.gz XVLFOWHSZILAFP-QFIPXVFZSA-N 0 3 412.534 2.634 20 10 HFCDHN COCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000790652234 1078094173 /nfs/dbraw/zinc/09/41/73/1078094173.db2.gz IUYUYPOZPGTNFX-UHFFFAOYSA-N 0 3 408.495 2.874 20 10 HFCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904377 1078333525 /nfs/dbraw/zinc/33/35/25/1078333525.db2.gz XJMAKTBNPWVTFH-WOJBJXKFSA-N 0 3 414.594 2.872 20 10 HFCDHN Cc1ccc(C)n1-c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cc1 ZINC000804643604 1078694082 /nfs/dbraw/zinc/69/40/82/1078694082.db2.gz BKSQPWUVPBVWPD-XDNSSPFJSA-N 0 3 408.546 2.908 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)NCCN3[C@@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000805022968 1078833488 /nfs/dbraw/zinc/83/34/88/1078833488.db2.gz KCGKMBNHYKBTHX-PMACEKPBSA-N 0 3 414.594 2.918 20 10 HFCDHN CCN1CCN(c2ccc(CNCc3ccc(N(C)CCOC)nc3)cc2F)CC1 ZINC000790960257 1077254934 /nfs/dbraw/zinc/25/49/34/1077254934.db2.gz AAISCOZYHSNEGJ-UHFFFAOYSA-N 0 3 415.557 2.735 20 10 HFCDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788934776 1077369250 /nfs/dbraw/zinc/36/92/50/1077369250.db2.gz ZEMBOEFIRQDEOD-HSZRJFAPSA-N 0 3 420.557 2.636 20 10 HFCDHN C[C@@H](NCCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1 ZINC000792277183 1077792551 /nfs/dbraw/zinc/79/25/51/1077792551.db2.gz RHAJHHXHMZVHGR-LJQANCHMSA-N 0 3 417.575 2.636 20 10 HFCDHN CCN1CCN(Cc2ccc(CNC(=O)NCc3ccc(OC)cc3O)cc2)CC1 ZINC000792826180 1078006510 /nfs/dbraw/zinc/00/65/10/1078006510.db2.gz DJILNGMWSCEGHO-UHFFFAOYSA-N 0 3 412.534 2.538 20 10 HFCDHN COc1ccc(CNC(=O)NCCCCN2CCN(c3ccccc3)CC2)c(O)c1 ZINC000792837638 1078012356 /nfs/dbraw/zinc/01/23/56/1078012356.db2.gz AMQZWTREBBNDDU-UHFFFAOYSA-N 0 3 412.534 2.802 20 10 HFCDHN C[C@H](O)C[C@@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000790436444 1078030704 /nfs/dbraw/zinc/03/07/04/1078030704.db2.gz YLZLWLWGXZTUIO-XFKSJGNHSA-N 0 3 421.557 2.681 20 10 HFCDHN O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807292389 1080481943 /nfs/dbraw/zinc/48/19/43/1080481943.db2.gz XDLUIQKRHKSHJU-UHFFFAOYSA-N 0 3 424.589 2.842 20 10 HFCDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1[O-] ZINC000793247967 1078109574 /nfs/dbraw/zinc/10/95/74/1078109574.db2.gz XDLGKIVDWZZLEO-GOSISDBHSA-N 0 3 405.930 2.665 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1F ZINC000804852285 1078722315 /nfs/dbraw/zinc/72/23/15/1078722315.db2.gz GAXUJOYKEXQQDT-SJORKVTESA-N 0 3 406.546 2.525 20 10 HFCDHN CC[NH+]1CCN(CCCCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000804954556 1078796495 /nfs/dbraw/zinc/79/64/95/1078796495.db2.gz FHEIXXYEWHIJAM-UHFFFAOYSA-N 0 3 403.354 2.916 20 10 HFCDHN CC1CCN(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000787664699 1076903877 /nfs/dbraw/zinc/90/38/77/1076903877.db2.gz RRAJFADWPBLHQJ-UHFFFAOYSA-N 0 3 401.551 2.902 20 10 HFCDHN C[C@@H]1CCCN(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000787668161 1076904633 /nfs/dbraw/zinc/90/46/33/1076904633.db2.gz DFVRAIHPXFXBLE-GOSISDBHSA-N 0 3 401.551 2.902 20 10 HFCDHN CCOc1ccc(C[NH2+]C[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c([O-])c1 ZINC000788528863 1077203264 /nfs/dbraw/zinc/20/32/64/1077203264.db2.gz HKEBVGNZCYQAHO-LJQANCHMSA-N 0 3 416.493 2.737 20 10 HFCDHN CN(C)Cc1ccc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000790020659 1077915997 /nfs/dbraw/zinc/91/59/97/1077915997.db2.gz CJDPPIXGCJTHPD-IBGZPJMESA-N 0 3 404.532 2.824 20 10 HFCDHN COc1ccc(N2CCN(C[C@@H](O)CN3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000792941018 1078022412 /nfs/dbraw/zinc/02/24/12/1078022412.db2.gz QSUAAJHINQNMSQ-XMMPIXPASA-N 0 3 407.558 2.967 20 10 HFCDHN CN(C)C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000806511284 1079760806 /nfs/dbraw/zinc/76/08/06/1079760806.db2.gz GOECXEHRMALJIX-NRFANRHFSA-N 0 3 400.498 2.764 20 10 HFCDHN C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNCc3cc4c(cc3O)OCO4)c2)C1=O ZINC000790609170 1078074669 /nfs/dbraw/zinc/07/46/69/1078074669.db2.gz JMGFIECIIVBQTF-QFIPXVFZSA-N 0 3 409.442 2.636 20 10 HFCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793589390 1078217092 /nfs/dbraw/zinc/21/70/92/1078217092.db2.gz OMHBNCZIGZXKKM-CQSZACIVSA-N 0 3 413.337 2.774 20 10 HFCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000793589390 1078217095 /nfs/dbraw/zinc/21/70/95/1078217095.db2.gz OMHBNCZIGZXKKM-CQSZACIVSA-N 0 3 413.337 2.774 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1F ZINC000804852283 1078722427 /nfs/dbraw/zinc/72/24/27/1078722427.db2.gz GAXUJOYKEXQQDT-IAGOWNOFSA-N 0 3 406.546 2.525 20 10 HFCDHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000787751208 1076926314 /nfs/dbraw/zinc/92/63/14/1076926314.db2.gz KVWZXKFRPZXWMP-LJQANCHMSA-N 0 3 400.567 2.626 20 10 HFCDHN C[C@@H]1[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000806510938 1079787980 /nfs/dbraw/zinc/78/79/80/1079787980.db2.gz BNSHEQRWPLYFKU-XXBNENTESA-N 0 3 408.546 2.985 20 10 HFCDHN CS(=O)(=O)c1cc(CNCc2cc3c(cc2O)OCO3)cc(C(F)(F)F)c1 ZINC000790600430 1078064610 /nfs/dbraw/zinc/06/46/10/1078064610.db2.gz BTSLZOJSJVBVII-UHFFFAOYSA-N 0 3 403.378 2.833 20 10 HFCDHN COc1ccc(O)c(CNCC(=O)Nc2ccc(I)cc2)c1 ZINC000793608101 1078223942 /nfs/dbraw/zinc/22/39/42/1078223942.db2.gz UOUGCDYDLNFQGN-UHFFFAOYSA-N 0 3 412.227 2.734 20 10 HFCDHN Cc1ccc([C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])[NH+]2CCCC2)cc1 ZINC000747217129 1078725780 /nfs/dbraw/zinc/72/57/80/1078725780.db2.gz KEOOEKLMJHTDQY-IBGZPJMESA-N 0 3 417.531 2.639 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)NCCN3[C@H](C)CCC[C@@H]3C)cc2)CC1 ZINC000805022967 1078833404 /nfs/dbraw/zinc/83/34/04/1078833404.db2.gz KCGKMBNHYKBTHX-BGYRXZFFSA-N 0 3 414.594 2.918 20 10 HFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000805940953 1079344266 /nfs/dbraw/zinc/34/42/66/1079344266.db2.gz IOOAMVLDCGLAAL-LJQANCHMSA-N 0 3 410.562 2.738 20 10 HFCDHN CN(C)[C@@]1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCSC1 ZINC000788241194 1077085169 /nfs/dbraw/zinc/08/51/69/1077085169.db2.gz CNSIZAVIXKVTSQ-JOCHJYFZSA-N 0 3 419.591 2.607 20 10 HFCDHN COc1ccc(N2CCC(NS(=O)(=O)c3ccc(CN(C)C)cc3)CC2)cc1 ZINC000788615765 1077229297 /nfs/dbraw/zinc/22/92/97/1077229297.db2.gz YWRLZECJLJGGQF-UHFFFAOYSA-N 0 3 403.548 2.704 20 10 HFCDHN CN(C)c1ccc(CNCCNS(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000792930686 1078027909 /nfs/dbraw/zinc/02/79/09/1078027909.db2.gz CHPWIYQOPLFTGH-UHFFFAOYSA-N 0 3 415.481 2.981 20 10 HFCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000806253945 1079522752 /nfs/dbraw/zinc/52/27/52/1079522752.db2.gz YCCIBQNMZHHGEY-FQEVSTJZSA-N 0 3 402.583 2.872 20 10 HFCDHN COc1ccc([C@@H](CN(C)C)NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000806513040 1079788525 /nfs/dbraw/zinc/78/85/25/1079788525.db2.gz XVLFOWHSZILAFP-JOCHJYFZSA-N 0 3 412.534 2.634 20 10 HFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000793727998 1078268489 /nfs/dbraw/zinc/26/84/89/1078268489.db2.gz XIXRNZOKGYZLFN-QFIPXVFZSA-N 0 3 424.589 2.779 20 10 HFCDHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805024765 1078836852 /nfs/dbraw/zinc/83/68/52/1078836852.db2.gz VMAKRYIFAKPDCS-FQEVSTJZSA-N 0 3 400.567 2.530 20 10 HFCDHN CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000788607703 1077222530 /nfs/dbraw/zinc/22/25/30/1077222530.db2.gz MHFOSRGHOFDXNL-FGTMMUONSA-N 0 3 400.972 2.955 20 10 HFCDHN C[C@@H](NS(=O)(=O)c1ccc(CN(C)C)cc1)c1ccc(N2CCOCC2)cc1 ZINC000790011714 1077911792 /nfs/dbraw/zinc/91/17/92/1077911792.db2.gz VKHPZQPOGPKUSO-QGZVFWFLSA-N 0 3 403.548 2.624 20 10 HFCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000806253107 1079549013 /nfs/dbraw/zinc/54/90/13/1079549013.db2.gz ADCOAROABBACTM-HXUWFJFHSA-N 0 3 402.583 2.870 20 10 HFCDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000793904367 1078333478 /nfs/dbraw/zinc/33/34/78/1078333478.db2.gz XJMAKTBNPWVTFH-PMACEKPBSA-N 0 3 414.594 2.872 20 10 HFCDHN CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000805138964 1078935639 /nfs/dbraw/zinc/93/56/39/1078935639.db2.gz KUCUCJKDZPJDQH-AWEZNQCLSA-N 0 3 401.338 2.667 20 10 HFCDHN CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000805138964 1078935654 /nfs/dbraw/zinc/93/56/54/1078935654.db2.gz KUCUCJKDZPJDQH-AWEZNQCLSA-N 0 3 401.338 2.667 20 10 HFCDHN C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000805138964 1078935658 /nfs/dbraw/zinc/93/56/58/1078935658.db2.gz KUCUCJKDZPJDQH-AWEZNQCLSA-N 0 3 401.338 2.667 20 10 HFCDHN COc1ccc(CN2CC[C@H](N[C@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170620 1079461424 /nfs/dbraw/zinc/46/14/24/1079461424.db2.gz XLGUDFHRHMTHIN-KUHUBIRLSA-N 0 3 400.475 2.870 20 10 HFCDHN CCOc1ccc(C[NH2+]C[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)c([O-])c1 ZINC000788528862 1077203200 /nfs/dbraw/zinc/20/32/00/1077203200.db2.gz HKEBVGNZCYQAHO-IBGZPJMESA-N 0 3 416.493 2.737 20 10 HFCDHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788929938 1077340956 /nfs/dbraw/zinc/34/09/56/1077340956.db2.gz NRVSVKVJDKKDOF-UHFFFAOYSA-N 0 3 422.573 2.536 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000788953849 1077361726 /nfs/dbraw/zinc/36/17/26/1077361726.db2.gz DBGMQHFXCZFYJK-OAQYLSRUSA-N 0 3 400.567 2.626 20 10 HFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798990 1077904324 /nfs/dbraw/zinc/90/43/24/1077904324.db2.gz VNCCWPDLGTWMLO-HOTGVXAUSA-N 0 3 419.547 2.518 20 10 HFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798990 1077904326 /nfs/dbraw/zinc/90/43/26/1077904326.db2.gz VNCCWPDLGTWMLO-HOTGVXAUSA-N 0 3 419.547 2.518 20 10 HFCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000806254077 1079522092 /nfs/dbraw/zinc/52/20/92/1079522092.db2.gz QUPCJBBBHSKKOW-IBGZPJMESA-N 0 3 413.518 2.895 20 10 HFCDHN O=C(NCCCSc1nccs1)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000806282471 1079545981 /nfs/dbraw/zinc/54/59/81/1079545981.db2.gz LTWXNPHIBFVZTR-UHFFFAOYSA-N 0 3 424.636 2.904 20 10 HFCDHN CN(C)C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000806458636 1079732276 /nfs/dbraw/zinc/73/22/76/1079732276.db2.gz ZREQVNXLIPBESW-HXUWFJFHSA-N 0 3 418.488 2.904 20 10 HFCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000793900089 1078344033 /nfs/dbraw/zinc/34/40/33/1078344033.db2.gz DZDZEXWBNMQBSK-RBUKOAKNSA-N 0 3 402.583 2.728 20 10 HFCDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000787753592 1076928403 /nfs/dbraw/zinc/92/84/03/1076928403.db2.gz ZEPFOUCINIRYQA-IBGZPJMESA-N 0 3 400.567 2.530 20 10 HFCDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)c(S(C)(=O)=O)c3)c2)CC1 ZINC000790961670 1077255138 /nfs/dbraw/zinc/25/51/38/1077255138.db2.gz ANXFXBFIRCSHGW-UHFFFAOYSA-N 0 3 405.495 2.623 20 10 HFCDHN Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000788934644 1077367828 /nfs/dbraw/zinc/36/78/28/1077367828.db2.gz XBFLGWSXIZNXKV-UHFFFAOYSA-N 0 3 422.573 2.802 20 10 HFCDHN CCOC(=O)c1cnn2c1[nH]c(CN1CCC(c3ncc4n3CCCC4)CC1)cc2=O ZINC000789356081 1077514865 /nfs/dbraw/zinc/51/48/65/1077514865.db2.gz FYMFHNXGXZLVSN-UHFFFAOYSA-N 0 3 424.505 2.524 20 10 HFCDHN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000789902322 1077856412 /nfs/dbraw/zinc/85/64/12/1077856412.db2.gz ACTBDECKAABNJE-QFIPXVFZSA-N 0 3 408.546 2.939 20 10 HFCDHN COCCN(C)S(=O)(=O)[C@H]1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000792711335 1077980129 /nfs/dbraw/zinc/98/01/29/1077980129.db2.gz IZDRPQNCPJTRAJ-SFHVURJKSA-N 0 3 412.596 2.871 20 10 HFCDHN COc1ccc(N2CCN(C[C@H](O)CN3CCC=C(c4ccccc4)C3)CC2)cc1 ZINC000792941017 1078022344 /nfs/dbraw/zinc/02/23/44/1078022344.db2.gz QSUAAJHINQNMSQ-DEOSSOPVSA-N 0 3 407.558 2.967 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@]4(C3)CCCOC4)cc2F)C[C@@H](C)O1 ZINC000792940761 1078022377 /nfs/dbraw/zinc/02/23/77/1078022377.db2.gz PVQKZZYOYWJINU-PMAPCBKXSA-N 0 3 419.541 2.558 20 10 HFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000793727996 1078268496 /nfs/dbraw/zinc/26/84/96/1078268496.db2.gz XIXRNZOKGYZLFN-JOCHJYFZSA-N 0 3 424.589 2.779 20 10 HFCDHN C[C@H]1CCCN(CCNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000787668164 1076904656 /nfs/dbraw/zinc/90/46/56/1076904656.db2.gz DFVRAIHPXFXBLE-SFHVURJKSA-N 0 3 401.551 2.902 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@@]4(C3)CCCOC4)cc2F)C[C@H](C)O1 ZINC000792940756 1078022426 /nfs/dbraw/zinc/02/24/26/1078022426.db2.gz PVQKZZYOYWJINU-IEGUWTFLSA-N 0 3 419.541 2.558 20 10 HFCDHN COc1ccc(N2CCN(C[C@H](O)CN3CCC(CC(F)(F)F)CC3)CC2)cc1 ZINC000792932888 1078028442 /nfs/dbraw/zinc/02/84/42/1078028442.db2.gz FOPJDZVZYLHNEJ-LJQANCHMSA-N 0 3 415.500 2.843 20 10 HFCDHN COc1cccc(CNCC(=O)Nc2ccc(I)cc2)c1O ZINC000790618909 1078078424 /nfs/dbraw/zinc/07/84/24/1078078424.db2.gz KMBYSIFTUWQCDN-UHFFFAOYSA-N 0 3 412.227 2.734 20 10 HFCDHN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3[O-])C2)C1 ZINC000788607716 1077222438 /nfs/dbraw/zinc/22/24/38/1077222438.db2.gz MHFOSRGHOFDXNL-RCCFBDPRSA-N 0 3 400.972 2.955 20 10 HFCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1 ZINC000788929496 1077339709 /nfs/dbraw/zinc/33/97/09/1077339709.db2.gz KJWGUMRKRWBYCJ-IBGZPJMESA-N 0 3 408.546 2.540 20 10 HFCDHN CCCN(Cc1ccccc1O)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000772797015 1077879804 /nfs/dbraw/zinc/87/98/04/1077879804.db2.gz ASJWOQJYQPXAJA-MRXNPFEDSA-N 0 3 419.547 2.882 20 10 HFCDHN C[C@@H]1CN(c2ccc(CNC(=O)CN3CC[C@]4(C3)CCCOC4)cc2F)C[C@@H](C)O1 ZINC000792940763 1078022393 /nfs/dbraw/zinc/02/23/93/1078022393.db2.gz PVQKZZYOYWJINU-PNCHPQGNSA-N 0 3 419.541 2.558 20 10 HFCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000806253105 1079549089 /nfs/dbraw/zinc/54/90/89/1079549089.db2.gz ADCOAROABBACTM-FQEVSTJZSA-N 0 3 402.583 2.870 20 10 HFCDHN CN(C)C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000806511286 1079760752 /nfs/dbraw/zinc/76/07/52/1079760752.db2.gz GOECXEHRMALJIX-OAQYLSRUSA-N 0 3 400.498 2.764 20 10 HFCDHN CCN1CCN(c2ccc(CNC(=O)N(C)CCCn3ccnc3C)cc2F)CC1 ZINC000747404096 1080771322 /nfs/dbraw/zinc/77/13/22/1080771322.db2.gz ZZSOADHDOGFQGN-UHFFFAOYSA-N 0 3 416.545 2.704 20 10 HFCDHN CN1CCN(c2ccc(CN[C@H](C(N)=O)c3ccc(Br)cc3)cc2)CC1 ZINC000793265821 1078113634 /nfs/dbraw/zinc/11/36/34/1078113634.db2.gz LZIMOGQUSMCQCF-IBGZPJMESA-N 0 3 417.351 2.517 20 10 HFCDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000793901246 1078332805 /nfs/dbraw/zinc/33/28/05/1078332805.db2.gz LULMZICZZDWYSW-VQTJNVASSA-N 0 3 414.594 2.776 20 10 HFCDHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000804424260 1078470883 /nfs/dbraw/zinc/47/08/83/1078470883.db2.gz CQIBKUJTVOXFRN-OAQYLSRUSA-N 0 3 400.567 2.626 20 10 HFCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804851792 1078720323 /nfs/dbraw/zinc/72/03/23/1078720323.db2.gz PBFHXUQSCRTLRW-GOSISDBHSA-N 0 3 406.546 2.669 20 10 HFCDHN C[C@H](N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000806171323 1079462757 /nfs/dbraw/zinc/46/27/57/1079462757.db2.gz YVOFYESRVZOOMA-FUHWJXTLSA-N 0 3 412.575 2.737 20 10 HFCDHN COc1ccc(CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)c(O)c1 ZINC000792828922 1078006989 /nfs/dbraw/zinc/00/69/89/1078006989.db2.gz LDZLZZNJCPBURP-OAQYLSRUSA-N 0 3 412.534 2.579 20 10 HFCDHN C[C@H](O)C[C@H]1CCCCN1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000790436442 1078030594 /nfs/dbraw/zinc/03/05/94/1078030594.db2.gz YLZLWLWGXZTUIO-PNYFIKQUSA-N 0 3 421.557 2.681 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1F ZINC000804853110 1078724773 /nfs/dbraw/zinc/72/47/73/1078724773.db2.gz SZXWHUPXUKIEPJ-IBGZPJMESA-N 0 3 406.546 2.525 20 10 HFCDHN COc1ccc(CN2CC[C@@H](N[C@H](C)c3cc(OC)ccc3O)C2=O)c(OC)c1 ZINC000806170618 1079461376 /nfs/dbraw/zinc/46/13/76/1079461376.db2.gz XLGUDFHRHMTHIN-AUUYWEPGSA-N 0 3 400.475 2.870 20 10 HFCDHN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000787708783 1076921302 /nfs/dbraw/zinc/92/13/02/1076921302.db2.gz JIBUWKDQWSWBDN-UHFFFAOYSA-N 0 3 409.530 2.695 20 10 HFCDHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788928533 1077338773 /nfs/dbraw/zinc/33/87/73/1077338773.db2.gz ACCLOSUBGGKIOQ-UHFFFAOYSA-N 0 3 414.575 2.555 20 10 HFCDHN Cc1ccc(NC(=O)CN(Cc2ccccc2O)C2CCCC2)cc1S(N)(=O)=O ZINC000772769596 1077344255 /nfs/dbraw/zinc/34/42/55/1077344255.db2.gz BOLJPHQEUPEFME-UHFFFAOYSA-N 0 3 417.531 2.731 20 10 HFCDHN Cc1ccc(NC(=O)C[N@H+](Cc2ccccc2[O-])C2CCCC2)cc1S(N)(=O)=O ZINC000772769596 1077344262 /nfs/dbraw/zinc/34/42/62/1077344262.db2.gz BOLJPHQEUPEFME-UHFFFAOYSA-N 0 3 417.531 2.731 20 10 HFCDHN Cc1ccc(NC(=O)C[N@@H+](Cc2ccccc2[O-])C2CCCC2)cc1S(N)(=O)=O ZINC000772769596 1077344269 /nfs/dbraw/zinc/34/42/69/1077344269.db2.gz BOLJPHQEUPEFME-UHFFFAOYSA-N 0 3 417.531 2.731 20 10 HFCDHN COc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)ccc1OCC(N)=O ZINC000792936218 1078029125 /nfs/dbraw/zinc/02/91/25/1078029125.db2.gz NAMJOSZLLPWNMZ-UHFFFAOYSA-N 0 3 411.424 2.934 20 10 HFCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C ZINC000807103878 1080282441 /nfs/dbraw/zinc/28/24/41/1080282441.db2.gz WQBMVUUZJYERQA-HSZRJFAPSA-N 0 3 424.589 2.950 20 10 HFCDHN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCCCC1 ZINC000793714760 1078262761 /nfs/dbraw/zinc/26/27/61/1078262761.db2.gz FSNPBIMTAVTVJI-IBGZPJMESA-N 0 3 400.567 2.626 20 10 HFCDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793905154 1078333873 /nfs/dbraw/zinc/33/38/73/1078333873.db2.gz ZYRSLXZCMNVFFN-QZTJIDSGSA-N 0 3 413.518 2.751 20 10 HFCDHN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1 ZINC000793900088 1078343965 /nfs/dbraw/zinc/34/39/65/1078343965.db2.gz DZDZEXWBNMQBSK-OALUTQOASA-N 0 3 402.583 2.728 20 10 HFCDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000805022915 1078833473 /nfs/dbraw/zinc/83/34/73/1078833473.db2.gz IGNOIGFSKBFPND-NRFANRHFSA-N 0 3 414.594 2.920 20 10 HFCDHN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)N1CCC(OC)CC1 ZINC000805157278 1078950661 /nfs/dbraw/zinc/95/06/61/1078950661.db2.gz JKEORNJMSWIGKW-UHFFFAOYSA-N 0 3 419.566 2.527 20 10 HFCDHN CN(C)c1ccc(CN(C)C(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)cc1 ZINC000805195958 1078969979 /nfs/dbraw/zinc/96/99/79/1078969979.db2.gz HOLAUVAFDFQVSU-VWLOTQADSA-N 0 3 422.573 2.882 20 10 HFCDHN CC(C)(C)OC(=O)N1CCN(CC[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000788019662 1077030210 /nfs/dbraw/zinc/03/02/10/1077030210.db2.gz MAYPKHCZPIFSBJ-FQEVSTJZSA-N 0 3 419.566 2.926 20 10 HFCDHN CC(C)(C)OC(=O)N1CCN(CC[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)CC1 ZINC000788019662 1077030219 /nfs/dbraw/zinc/03/02/19/1077030219.db2.gz MAYPKHCZPIFSBJ-FQEVSTJZSA-N 0 3 419.566 2.926 20 10 HFCDHN C[C@@H]1[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1Cc1ccccc1 ZINC000806510931 1079751850 /nfs/dbraw/zinc/75/18/50/1079751850.db2.gz BNSHEQRWPLYFKU-AUSIDOKSSA-N 0 3 408.546 2.985 20 10 HFCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCCCC1 ZINC000793710739 1078260606 /nfs/dbraw/zinc/26/06/06/1078260606.db2.gz UDGWODAFQDVAEU-IBGZPJMESA-N 0 3 400.567 2.530 20 10 HFCDHN C[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)N1CCCCC1 ZINC000793714762 1078262627 /nfs/dbraw/zinc/26/26/27/1078262627.db2.gz FSNPBIMTAVTVJI-LJQANCHMSA-N 0 3 400.567 2.626 20 10 HFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000793900157 1078343905 /nfs/dbraw/zinc/34/39/05/1078343905.db2.gz GSWXNKOYUBXZGH-OALUTQOASA-N 0 3 402.583 2.726 20 10 HFCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000793900158 1078344016 /nfs/dbraw/zinc/34/40/16/1078344016.db2.gz GSWXNKOYUBXZGH-RBUKOAKNSA-N 0 3 402.583 2.726 20 10 HFCDHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)N(C)Cc1ccccc1 ZINC000788929497 1077339781 /nfs/dbraw/zinc/33/97/81/1077339781.db2.gz KJWGUMRKRWBYCJ-LJQANCHMSA-N 0 3 408.546 2.540 20 10 HFCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798974 1077904316 /nfs/dbraw/zinc/90/43/16/1077904316.db2.gz VNCCWPDLGTWMLO-CVEARBPZSA-N 0 3 419.547 2.518 20 10 HFCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000772798974 1077904314 /nfs/dbraw/zinc/90/43/14/1077904314.db2.gz VNCCWPDLGTWMLO-CVEARBPZSA-N 0 3 419.547 2.518 20 10 HFCDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000806253946 1079522676 /nfs/dbraw/zinc/52/26/76/1079522676.db2.gz YCCIBQNMZHHGEY-HXUWFJFHSA-N 0 3 402.583 2.872 20 10 HFCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)c1[O-] ZINC000793247968 1078109551 /nfs/dbraw/zinc/10/95/51/1078109551.db2.gz XDLGKIVDWZZLEO-SFHVURJKSA-N 0 3 405.930 2.665 20 10 HFCDHN O=C1c2ccccc2C(=O)N1CCC1=CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000793306754 1078123529 /nfs/dbraw/zinc/12/35/29/1078123529.db2.gz XQZIFUUEHRSRLN-UHFFFAOYSA-N 0 3 406.438 2.939 20 10 HFCDHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000793717852 1078263937 /nfs/dbraw/zinc/26/39/37/1078263937.db2.gz KSKPHFOHBKICFD-OAQYLSRUSA-N 0 3 422.573 2.533 20 10 HFCDHN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1F ZINC000804852757 1078721436 /nfs/dbraw/zinc/72/14/36/1078721436.db2.gz FWZITUCTHKAVPK-UHFFFAOYSA-N 0 3 418.557 2.765 20 10 HFCDHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000792711333 1077980079 /nfs/dbraw/zinc/98/00/79/1077980079.db2.gz IZDRPQNCPJTRAJ-GOSISDBHSA-N 0 3 412.596 2.871 20 10 HFCDHN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000807103879 1080282564 /nfs/dbraw/zinc/28/25/64/1080282564.db2.gz WQBMVUUZJYERQA-QHCPKHFHSA-N 0 3 424.589 2.950 20 10 HFCDHN Cn1c2ccc(CNCc3ccc(N4CCC[C@@H](C(N)=O)C4)cc3)cc2sc1=O ZINC000793045189 1078055070 /nfs/dbraw/zinc/05/50/70/1078055070.db2.gz WVVOMSWINOCTFK-QGZVFWFLSA-N 0 3 410.543 2.592 20 10 HFCDHN Cn1c2ccc(CNCc3ccc(N4CCC[C@H](C(N)=O)C4)cc3)cc2sc1=O ZINC000793045188 1078055221 /nfs/dbraw/zinc/05/52/21/1078055221.db2.gz WVVOMSWINOCTFK-KRWDZBQOSA-N 0 3 410.543 2.592 20 10 HFCDHN C[N@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793589387 1078217029 /nfs/dbraw/zinc/21/70/29/1078217029.db2.gz OMHBNCZIGZXKKM-AWEZNQCLSA-N 0 3 413.337 2.774 20 10 HFCDHN C[N@@H+](Cc1c([O-])ccc2cc(Br)ccc21)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000793589387 1078217033 /nfs/dbraw/zinc/21/70/33/1078217033.db2.gz OMHBNCZIGZXKKM-AWEZNQCLSA-N 0 3 413.337 2.774 20 10 HFCDHN CC1CCN(c2ccc(CNC(=O)C(=O)N3CCCN(C(C)(C)C)CC3)cc2)CC1 ZINC000805026398 1078839368 /nfs/dbraw/zinc/83/93/68/1078839368.db2.gz MAJUEZJLFZPKHC-UHFFFAOYSA-N 0 3 414.594 2.872 20 10 HFCDHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCC[C@@H](C)C1 ZINC000805025672 1078838056 /nfs/dbraw/zinc/83/80/56/1078838056.db2.gz TUTSUYKUGUKJJY-UXHICEINSA-N 0 3 414.594 2.776 20 10 HFCDHN CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000805138965 1078935677 /nfs/dbraw/zinc/93/56/77/1078935677.db2.gz KUCUCJKDZPJDQH-CQSZACIVSA-N 0 3 401.338 2.667 20 10 HFCDHN CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000805138965 1078935682 /nfs/dbraw/zinc/93/56/82/1078935682.db2.gz KUCUCJKDZPJDQH-CQSZACIVSA-N 0 3 401.338 2.667 20 10 HFCDHN C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])C2)CC1 ZINC000805138965 1078935685 /nfs/dbraw/zinc/93/56/85/1078935685.db2.gz KUCUCJKDZPJDQH-CQSZACIVSA-N 0 3 401.338 2.667 20 10 HFCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000805940952 1079344389 /nfs/dbraw/zinc/34/43/89/1079344389.db2.gz IOOAMVLDCGLAAL-IBGZPJMESA-N 0 3 410.562 2.738 20 10 HFCDHN COc1cc(O)c(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1OC ZINC000787438099 1076810999 /nfs/dbraw/zinc/81/09/99/1076810999.db2.gz HUZXKBUSFMEBQI-KRWDZBQOSA-N 0 3 406.429 2.968 20 10 HFCDHN