smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccc(N2CC(N[C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331400 1078492228 /nfs/dbraw/zinc/49/22/28/1078492228.db2.gz LWIHTXJDZVEXQF-IAGOWNOFSA-N 0 3 404.511 2.482 20 0 HEADHN CC(C)N1C(=O)c2ccc(C(=O)NCCN3CCCC(C)(C)C3)cc2S1(=O)=O ZINC000769708278 1078530325 /nfs/dbraw/zinc/53/03/25/1078530325.db2.gz RUTFBPZJLVXDAR-UHFFFAOYSA-N 0 3 407.536 2.091 20 0 HEADHN C[C@@H](NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919579 1078634832 /nfs/dbraw/zinc/63/48/32/1078634832.db2.gz ACSNJHSZHSJZBZ-AEFFLSMTSA-N 0 3 424.586 2.177 20 0 HEADHN CCc1ccc(N2CCN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)cc1 ZINC000745795979 1078651464 /nfs/dbraw/zinc/65/14/64/1078651464.db2.gz NCIRQTIINSSGJI-NRFANRHFSA-N 0 3 415.582 2.023 20 0 HEADHN CCc1ccc(N2CCN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC000745795980 1078651523 /nfs/dbraw/zinc/65/15/23/1078651523.db2.gz NCIRQTIINSSGJI-OAQYLSRUSA-N 0 3 415.582 2.023 20 0 HEADHN Cc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000745858863 1078675843 /nfs/dbraw/zinc/67/58/43/1078675843.db2.gz MWWCUQUNWUDXBS-URXFXBBRSA-N 0 3 422.529 2.037 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861220 1078676349 /nfs/dbraw/zinc/67/63/49/1078676349.db2.gz APZSKFDMPWMGJE-GHTZIAJQSA-N 0 3 406.571 2.080 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861609 1078676383 /nfs/dbraw/zinc/67/63/83/1078676383.db2.gz CTZPPTLPPCHLNY-MAUKXSAKSA-N 0 3 416.488 2.312 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861213 1078676467 /nfs/dbraw/zinc/67/64/67/1078676467.db2.gz ANABWEVVXNSVPV-CRAIPNDOSA-N 0 3 416.488 2.312 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861223 1078676972 /nfs/dbraw/zinc/67/69/72/1078676972.db2.gz APZSKFDMPWMGJE-RXVVDRJESA-N 0 3 406.571 2.080 20 0 HEADHN C[C@@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)CN1CCN(C)CC1 ZINC000745861702 1078677015 /nfs/dbraw/zinc/67/70/15/1078677015.db2.gz DQMNDYIXRLHYBJ-GUYCJALGSA-N 0 3 403.354 2.210 20 0 HEADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)ccc2NC1=O ZINC000745933574 1078701166 /nfs/dbraw/zinc/70/11/66/1078701166.db2.gz VOHJSBPCNKBDRQ-DNMXQMFDSA-N 0 3 402.495 2.020 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCSCC(F)(F)F)cc2)CC1 ZINC000770047906 1078704571 /nfs/dbraw/zinc/70/45/71/1078704571.db2.gz PRVWSPUUFZAVPR-UHFFFAOYSA-N 0 3 418.485 2.179 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(CC)(CC)CCO)cc2)CC1 ZINC000746043276 1078752281 /nfs/dbraw/zinc/75/22/81/1078752281.db2.gz FKWPLIOJFPWEJV-UHFFFAOYSA-N 0 3 404.555 2.072 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)CC3CN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC000746128235 1078800074 /nfs/dbraw/zinc/80/00/74/1078800074.db2.gz OHFNPQPVWMZHRI-UHFFFAOYSA-N 0 3 416.566 2.307 20 0 HEADHN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746224860 1078826253 /nfs/dbraw/zinc/82/62/53/1078826253.db2.gz JXAPKRKOLWVTAG-YLJYHZDGSA-N 0 3 405.498 2.037 20 0 HEADHN C=CC(=O)NCCC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000746190881 1078820169 /nfs/dbraw/zinc/82/01/69/1078820169.db2.gz BTBFDHVYZNGRJM-UHFFFAOYSA-N 0 3 424.339 2.101 20 0 HEADHN Cc1ncc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)s1 ZINC001170014033 1078825141 /nfs/dbraw/zinc/82/51/41/1078825141.db2.gz MKUADUWBXQJEAV-HIFRSBDPSA-N 0 3 412.581 2.452 20 0 HEADHN CN(C)S(=O)(=O)c1ccc(C(=O)OCCN2CCCCC2)cc1Br ZINC000770364464 1078831192 /nfs/dbraw/zinc/83/11/92/1078831192.db2.gz FPKIPLQXANCPQN-UHFFFAOYSA-N 0 3 419.341 2.342 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000770350026 1078838124 /nfs/dbraw/zinc/83/81/24/1078838124.db2.gz JMCQEFGZUGOPRU-GOSISDBHSA-N 0 3 401.555 2.029 20 0 HEADHN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000746309168 1078849608 /nfs/dbraw/zinc/84/96/08/1078849608.db2.gz HUIYHEDRWXCWEZ-QGZVFWFLSA-N 0 3 412.456 2.211 20 0 HEADHN C[C@H](CNC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000746321578 1078858102 /nfs/dbraw/zinc/85/81/02/1078858102.db2.gz KSNJHYJUAOBNGC-DUXKGJEZSA-N 0 3 406.546 2.307 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770520718 1078882835 /nfs/dbraw/zinc/88/28/35/1078882835.db2.gz GQXSHRXPTGYHGQ-VQTJNVASSA-N 0 3 403.523 2.214 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)C2=NN(CC(C)C)C(=O)CC2)CC1 ZINC000766346862 1078883565 /nfs/dbraw/zinc/88/35/65/1078883565.db2.gz HBKRSGHOJFMYPI-UHFFFAOYSA-N 0 3 413.566 2.075 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000770523393 1078883599 /nfs/dbraw/zinc/88/35/99/1078883599.db2.gz PHYXDXWXSSGECP-KURKYZTESA-N 0 3 410.559 2.232 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000770588619 1078899117 /nfs/dbraw/zinc/89/91/17/1078899117.db2.gz BWNWOQJZKFKLSH-GUYCJALGSA-N 0 3 403.354 2.352 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000770592142 1078899936 /nfs/dbraw/zinc/89/99/36/1078899936.db2.gz BGSZWXYWIPRDDW-CXAGYDPISA-N 0 3 403.354 2.352 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363167 1078924867 /nfs/dbraw/zinc/92/48/67/1078924867.db2.gz HAJUTOHISJZNAN-SLFFLAALSA-N 0 3 401.507 2.015 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCSC4(CCOCC4)C3)cc2)CC1 ZINC000770685181 1078934128 /nfs/dbraw/zinc/93/41/28/1078934128.db2.gz KVGZXNSQROJXEP-UHFFFAOYSA-N 0 3 418.607 2.365 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)CCN1CCOC ZINC000766378042 1078944875 /nfs/dbraw/zinc/94/48/75/1078944875.db2.gz VPDAMPZIVPQWDP-PGRDOPGGSA-N 0 3 402.539 2.152 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCc3ccc(Cl)nc3)c2)CC1 ZINC000770758608 1078981434 /nfs/dbraw/zinc/98/14/34/1078981434.db2.gz PAMWVVCVKRKDKP-UHFFFAOYSA-N 0 3 415.925 2.174 20 0 HEADHN CC[C@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H](O)c1ccccc1 ZINC000770749584 1079005499 /nfs/dbraw/zinc/00/54/99/1079005499.db2.gz FZNCGOYNDITYOL-VXKWHMMOSA-N 0 3 424.545 2.395 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000770805576 1079026564 /nfs/dbraw/zinc/02/65/64/1079026564.db2.gz ZKTSKUFSZLXNPH-HNNXBMFYSA-N 0 3 422.620 2.246 20 0 HEADHN CC(C)CN1N=C(C(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)CCC1=O ZINC000766494873 1079037682 /nfs/dbraw/zinc/03/76/82/1079037682.db2.gz HEWBFEUFSFOCBI-UHFFFAOYSA-N 0 3 413.522 2.085 20 0 HEADHN C[C@@H]1C[C@H](N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869890 1079059431 /nfs/dbraw/zinc/05/94/31/1079059431.db2.gz YUKDHBOUAMPYAS-BPQIPLTHSA-N 0 3 417.554 2.256 20 0 HEADHN C[C@@H]1C[C@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849712 1079061152 /nfs/dbraw/zinc/06/11/52/1079061152.db2.gz LKGHDBTWARBKAO-CABCVRRESA-N 0 3 403.527 2.335 20 0 HEADHN Cc1sc(=O)n(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1-c1ccc(F)cc1 ZINC000771036692 1079111820 /nfs/dbraw/zinc/11/18/20/1079111820.db2.gz BQXBMQPVFHTAKH-GOSISDBHSA-N 0 3 419.522 2.394 20 0 HEADHN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771040566 1079112982 /nfs/dbraw/zinc/11/29/82/1079112982.db2.gz REYIGQQWFASEHX-HOTGVXAUSA-N 0 3 401.573 2.002 20 0 HEADHN Cc1ccc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1C ZINC001170021114 1079115533 /nfs/dbraw/zinc/11/55/33/1079115533.db2.gz VCJOQJZVSGJRGL-RDJZCZTQSA-N 0 3 408.568 2.334 20 0 HEADHN O[C@H](CN1CCC(Oc2cccc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC001169154805 1079167974 /nfs/dbraw/zinc/16/79/74/1079167974.db2.gz ZANDYDGQCBUGQA-YJBOKZPZSA-N 0 3 400.313 2.195 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1c(F)cccc1F ZINC001169161530 1079170527 /nfs/dbraw/zinc/17/05/27/1079170527.db2.gz PCGNMUSCUZVIBQ-CYBMUJFWSA-N 0 3 405.449 2.061 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1cc(F)cc(F)c1F ZINC001169163517 1079171764 /nfs/dbraw/zinc/17/17/64/1079171764.db2.gz QIVVUTFGUPJIHM-GFCCVEGCSA-N 0 3 423.439 2.200 20 0 HEADHN COc1ccc(CNC(=O)Cc2noc([C@]3(O)CCN(Cc4ccccc4)C3)n2)cc1 ZINC000771164482 1079179848 /nfs/dbraw/zinc/17/98/48/1079179848.db2.gz ZNADWZPQRCDDPJ-QHCPKHFHSA-N 0 3 422.485 2.031 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCC(F)(F)[C@H](F)C1 ZINC001169194050 1079181720 /nfs/dbraw/zinc/18/17/20/1079181720.db2.gz YDDYBTHLMQKCMA-ZIAGYGMSSA-N 0 3 415.460 2.062 20 0 HEADHN COc1ccc2c(c1)CN([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169203143 1079184263 /nfs/dbraw/zinc/18/42/63/1079184263.db2.gz SZXGUXUFWCSXFS-OAHLLOKOSA-N 0 3 411.506 2.017 20 0 HEADHN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000804314010 1079221804 /nfs/dbraw/zinc/22/18/04/1079221804.db2.gz DXAWMVMGKOAVMY-VQTJNVASSA-N 0 3 414.550 2.027 20 0 HEADHN CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000771287016 1079240980 /nfs/dbraw/zinc/24/09/80/1079240980.db2.gz KJULLPOVCGGLJC-PKOBYXMFSA-N 0 3 404.511 2.362 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CO1 ZINC001169383848 1079254939 /nfs/dbraw/zinc/25/49/39/1079254939.db2.gz CBEMNUASRRUONU-ITTUMRLJSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376915 1079246646 /nfs/dbraw/zinc/24/66/46/1079246646.db2.gz ZISNRHRGRHIQJM-IAGOWNOFSA-N 0 3 412.527 2.199 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CO1 ZINC001169384852 1079257065 /nfs/dbraw/zinc/25/70/65/1079257065.db2.gz HCDTVDRHMNWXBU-PMACEKPBSA-N 0 3 415.534 2.458 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)CO1 ZINC001169392699 1079263468 /nfs/dbraw/zinc/26/34/68/1079263468.db2.gz BACYUPCYESTUNG-NXWXRZEISA-N 0 3 422.547 2.022 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CO1 ZINC001169398007 1079271017 /nfs/dbraw/zinc/27/10/17/1079271017.db2.gz PKCBFPQROFMYMD-FAKFISEUSA-N 0 3 416.518 2.151 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CO1 ZINC001169393543 1079265458 /nfs/dbraw/zinc/26/54/58/1079265458.db2.gz SSOAWVFYAJPEPM-YOBWQIAJSA-N 0 3 420.575 2.476 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)CO1 ZINC001169397977 1079269977 /nfs/dbraw/zinc/26/99/77/1079269977.db2.gz PCDMQBPVTGMPOT-WBVHZDCISA-N 0 3 408.520 2.057 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)CO1 ZINC001169397974 1079270125 /nfs/dbraw/zinc/27/01/25/1079270125.db2.gz PCDMQBPVTGMPOT-DOTOQJQBSA-N 0 3 408.520 2.057 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)CO1 ZINC001169417450 1079277676 /nfs/dbraw/zinc/27/76/76/1079277676.db2.gz GOBRTMQALQCMGK-PKOBYXMFSA-N 0 3 405.495 2.392 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771319765 1079284652 /nfs/dbraw/zinc/28/46/52/1079284652.db2.gz LMGPMOADFITAHX-KRWDZBQOSA-N 0 3 411.591 2.101 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000771351907 1079301289 /nfs/dbraw/zinc/30/12/89/1079301289.db2.gz ICTKKZXPKGRCSW-IBGZPJMESA-N 0 3 408.546 2.226 20 0 HEADHN CC[C@H]1CCN(CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)[C@@H]1C ZINC001169494289 1079313821 /nfs/dbraw/zinc/31/38/21/1079313821.db2.gz HDXHQEXUCGKYBU-WBVHZDCISA-N 0 3 413.522 2.053 20 0 HEADHN C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1=CCN(C)CC1 ZINC000771450421 1079329383 /nfs/dbraw/zinc/32/93/83/1079329383.db2.gz FOLKFHWAWZTLIM-ODXCJYRJSA-N 0 3 422.888 2.013 20 0 HEADHN NCc1ccc2c(n1)N(c1ccc(CN3C(=O)NC4(CCCC4)C3=O)cn1)CCC2 ZINC001169589854 1079336653 /nfs/dbraw/zinc/33/66/53/1079336653.db2.gz BLFSACPFEBNAHT-UHFFFAOYSA-N 0 3 406.490 2.384 20 0 HEADHN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCCCN2CCc3ccccc3C2)cn1 ZINC000766757562 1079337270 /nfs/dbraw/zinc/33/72/70/1079337270.db2.gz NIDODZFLHMNMGT-FGZHOGPDSA-N 0 3 411.550 2.466 20 0 HEADHN CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CC[C@]3(C2)OCc2ccccc23)CCC1 ZINC001169603688 1079341722 /nfs/dbraw/zinc/34/17/22/1079341722.db2.gz DCPDBEVFMQADIB-AZUAARDMSA-N 0 3 408.564 2.119 20 0 HEADHN NC(=O)c1ccsc1NC(=O)CCN1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000771466418 1079363136 /nfs/dbraw/zinc/36/31/36/1079363136.db2.gz DJDSXRCRTFIMJI-MRXNPFEDSA-N 0 3 418.563 2.290 20 0 HEADHN O=C(NC1CCC1)[C@H]1CN([C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@H]2OCC[C@H]21 ZINC001169771413 1079405963 /nfs/dbraw/zinc/40/59/63/1079405963.db2.gz NJDSCJXVAANPFN-CLAROIROSA-N 0 3 411.546 2.297 20 0 HEADHN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)C2=O)cc1 ZINC000771657469 1079428413 /nfs/dbraw/zinc/42/84/13/1079428413.db2.gz NGTGYVHCBABKOR-GHTZIAJQSA-N 0 3 400.567 2.305 20 0 HEADHN Cc1csc([C@@](O)(CC(=O)NC(C)(C)CCN2CCN(C)CC2)C(F)(F)F)n1 ZINC000771664238 1079433592 /nfs/dbraw/zinc/43/35/92/1079433592.db2.gz VZXQZMAEOQSPLI-KRWDZBQOSA-N 0 3 422.517 2.124 20 0 HEADHN CC(C)=CC(=O)NCc1ccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000771664891 1079434330 /nfs/dbraw/zinc/43/43/30/1079434330.db2.gz YWABSZVZRCVHMH-UHFFFAOYSA-N 0 3 400.567 2.415 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C3=NN(c4ccccc4)C(=O)[C@H](C)N3)c2)CC1 ZINC000771637653 1079445774 /nfs/dbraw/zinc/44/57/74/1079445774.db2.gz QULCSNMZDFWGEE-KRWDZBQOSA-N 0 3 420.517 2.105 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755525 1079485101 /nfs/dbraw/zinc/48/51/01/1079485101.db2.gz FOUARNOBRXPWEV-IEBWSBKVSA-N 0 3 404.555 2.252 20 0 HEADHN Cc1ccc(/C=C\c2nc(=S)n(CN3CCN(C(=O)CN4CCCC4)CC3)[nH]2)o1 ZINC000738161221 1075970710 /nfs/dbraw/zinc/97/07/10/1075970710.db2.gz OYNRHNQOYMZAKU-SREVYHEPSA-N 0 3 416.551 2.210 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000738285722 1075979373 /nfs/dbraw/zinc/97/93/73/1075979373.db2.gz NOHNFHCSQBATOL-INIZCTEOSA-N 0 3 412.581 2.444 20 0 HEADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738306667 1075986852 /nfs/dbraw/zinc/98/68/52/1075986852.db2.gz XAJJQNPNLFGSOZ-FPOVZHCZSA-N 0 3 418.545 2.478 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)COc1ccccc1F ZINC000738880486 1076021232 /nfs/dbraw/zinc/02/12/32/1076021232.db2.gz AWIDVCVXDXCJGM-QGZVFWFLSA-N 0 3 411.518 2.050 20 0 HEADHN COCCN1CC[C@@H](NC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000739034176 1076032226 /nfs/dbraw/zinc/03/22/26/1076032226.db2.gz FQQCMWWXMIERIM-ZBFHGGJFSA-N 0 3 409.836 2.110 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000739068731 1076036251 /nfs/dbraw/zinc/03/62/51/1076036251.db2.gz OUAQIQUQMBAUDT-KRWDZBQOSA-N 0 3 402.539 2.231 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739090017 1076043591 /nfs/dbraw/zinc/04/35/91/1076043591.db2.gz RTPGNKISTFQAEL-STQMWFEESA-N 0 3 417.453 2.101 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N(C)Cc1ccccc1 ZINC000739091273 1076044037 /nfs/dbraw/zinc/04/40/37/1076044037.db2.gz YBGCLEJQHOWDPN-RTBURBONSA-N 0 3 424.545 2.487 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000740804125 1076243698 /nfs/dbraw/zinc/24/36/98/1076243698.db2.gz ZDCGQLUDHLKMFU-XMSQKQJNSA-N 0 3 419.529 2.230 20 0 HEADHN Cc1cc(=O)oc2cc(OCCN3CCC(CNC(=O)c4cnn(C)c4)CC3)ccc12 ZINC000740876921 1076278224 /nfs/dbraw/zinc/27/82/24/1076278224.db2.gz OSPOILKFDPBDFP-UHFFFAOYSA-N 0 3 424.501 2.356 20 0 HEADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCC(=O)NC(N)=O ZINC000740888075 1076289096 /nfs/dbraw/zinc/28/90/96/1076289096.db2.gz MLARARQLEMONJC-MSOLQXFVSA-N 0 3 404.511 2.473 20 0 HEADHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000741099931 1076370333 /nfs/dbraw/zinc/37/03/33/1076370333.db2.gz PJPPEEGTIMRUIO-CRAIPNDOSA-N 0 3 418.538 2.448 20 0 HEADHN Cc1ccc([C@@H](O)CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000741272496 1076439663 /nfs/dbraw/zinc/43/96/63/1076439663.db2.gz ZVSWZLSCEWCLPI-FQEVSTJZSA-N 0 3 400.523 2.129 20 0 HEADHN COC(=O)C1(NC(=O)COC(=O)C2CCN(Cc3ccccc3)CC2)CCCCC1 ZINC000741331821 1076479536 /nfs/dbraw/zinc/47/95/36/1076479536.db2.gz QSCYVQUINBJMQP-UHFFFAOYSA-N 0 3 416.518 2.434 20 0 HEADHN Cn1nc(C(C)(C)C)cc1NC(=O)CN[C@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000741786557 1076626771 /nfs/dbraw/zinc/62/67/71/1076626771.db2.gz CRNFGDMUGFSIDS-HSZRJFAPSA-N 0 3 413.566 2.273 20 0 HEADHN CCN1CCN(C(=O)CC2CCN([C@H]3CCN(c4ccc(C)cc4)C3=O)CC2)CC1 ZINC000741784681 1076626789 /nfs/dbraw/zinc/62/67/89/1076626789.db2.gz LLDHQOQPUDYGSV-QFIPXVFZSA-N 0 3 412.578 2.367 20 0 HEADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000742117300 1076747516 /nfs/dbraw/zinc/74/75/16/1076747516.db2.gz AJFGBHOGNIMEMK-MRXNPFEDSA-N 0 3 411.543 2.460 20 0 HEADHN O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742118104 1076748207 /nfs/dbraw/zinc/74/82/07/1076748207.db2.gz KAIWSYJFKWODOE-OAHLLOKOSA-N 0 3 409.527 2.214 20 0 HEADHN CC(C)N1CCN(c2ccc(C(=O)N3CCN(C4=NC[C@H](C)S4)CC3)cc2)CC1 ZINC000742190809 1076779136 /nfs/dbraw/zinc/77/91/36/1076779136.db2.gz JWQFUTXUVPURTF-SFHVURJKSA-N 0 3 415.607 2.466 20 0 HEADHN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCN3CCC[C@H]3C)cc(C(C)C)nc21 ZINC000742240557 1076804152 /nfs/dbraw/zinc/80/41/52/1076804152.db2.gz RFIUCWRIKYUXQO-OAHLLOKOSA-N 0 3 415.538 2.491 20 0 HEADHN C[C@H](CNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)CN1CCCCC1 ZINC000742245169 1076805412 /nfs/dbraw/zinc/80/54/12/1076805412.db2.gz DZXKROMJYSLENF-CQSZACIVSA-N 0 3 424.498 2.034 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](CS(=O)(=O)NCCCN2CCCC2)C1 ZINC000742271955 1076807118 /nfs/dbraw/zinc/80/71/18/1076807118.db2.gz PUGVDBJFHWMIHQ-FQEVSTJZSA-N 0 3 423.579 2.441 20 0 HEADHN O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)CC1 ZINC000742276201 1076808395 /nfs/dbraw/zinc/80/83/95/1076808395.db2.gz YWOGLCNLBFURJT-SFHVURJKSA-N 0 3 421.563 2.191 20 0 HEADHN CN(CC1CCN(C)CC1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742290168 1076818184 /nfs/dbraw/zinc/81/81/84/1076818184.db2.gz HZNJUWVTJXNJOB-HXUWFJFHSA-N 0 3 423.579 2.391 20 0 HEADHN Cc1ccc([C@H](CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)N(C)C)cc1 ZINC000742402146 1076837854 /nfs/dbraw/zinc/83/78/54/1076837854.db2.gz QXYAHDYKHDUXAY-RDPSFJRHSA-N 0 3 420.513 2.107 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000742614611 1076856673 /nfs/dbraw/zinc/85/66/73/1076856673.db2.gz KLPDXJUBSWXCFX-MRXNPFEDSA-N 0 3 408.543 2.428 20 0 HEADHN C[C@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000742671763 1076863526 /nfs/dbraw/zinc/86/35/26/1076863526.db2.gz YFNWIQUSBSNWIZ-QUCCMNQESA-N 0 3 418.582 2.295 20 0 HEADHN CCN(C)C[C@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000742910751 1076890961 /nfs/dbraw/zinc/89/09/61/1076890961.db2.gz KIULQODYKAJUSC-GFCCVEGCSA-N 0 3 403.342 2.266 20 0 HEADHN C[C@H]1CCN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CCN1Cc1ccccc1 ZINC000742959118 1076905356 /nfs/dbraw/zinc/90/53/56/1076905356.db2.gz NCHBTBFNGAZNKP-INIZCTEOSA-N 0 3 408.506 2.125 20 0 HEADHN C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCN1Cc1ccccc1 ZINC000742961885 1076908714 /nfs/dbraw/zinc/90/87/14/1076908714.db2.gz YNDLPIWHFUZOJA-GCJKJVERSA-N 0 3 419.529 2.230 20 0 HEADHN S=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@H]1CN1CCOCC1 ZINC000743006969 1076923115 /nfs/dbraw/zinc/92/31/15/1076923115.db2.gz MYSZXSBGKNQLHM-NRFANRHFSA-N 0 3 402.608 2.322 20 0 HEADHN CN1CCC(NC(=S)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 ZINC000743036333 1076931463 /nfs/dbraw/zinc/93/14/63/1076931463.db2.gz NNNAVWSFFNOKSZ-UHFFFAOYSA-N 0 3 405.973 2.144 20 0 HEADHN CCOC(=O)N1CCC(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000743049662 1076938795 /nfs/dbraw/zinc/93/87/95/1076938795.db2.gz RZPBPBRXWBCESQ-LJQANCHMSA-N 0 3 423.579 2.391 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000743098085 1076953040 /nfs/dbraw/zinc/95/30/40/1076953040.db2.gz LQYXRJSIDPFLPU-KRWDZBQOSA-N 0 3 403.527 2.034 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCC(C(=O)NCC(C)C)CC3)cc2)CC1 ZINC000743299474 1077021972 /nfs/dbraw/zinc/02/19/72/1077021972.db2.gz IDXCLYCAMUNNSU-UHFFFAOYSA-N 0 3 400.567 2.453 20 0 HEADHN CC(=O)Nc1cc(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)c(F)cc1F ZINC000743392185 1077040367 /nfs/dbraw/zinc/04/03/67/1077040367.db2.gz XXORLOJCSAZXSQ-OAHLLOKOSA-N 0 3 418.444 2.151 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(-n2ccnc2)cc1 ZINC000743403162 1077043496 /nfs/dbraw/zinc/04/34/96/1077043496.db2.gz IHBGUZFDQUTCNU-UHFFFAOYSA-N 0 3 407.474 2.197 20 0 HEADHN C[C@@H]1CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C[C@@H](C)S1 ZINC000743376012 1077044074 /nfs/dbraw/zinc/04/40/74/1077044074.db2.gz IPTIYOCGPBUNRQ-LZJOCLMNSA-N 0 3 402.564 2.356 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000743377280 1077045155 /nfs/dbraw/zinc/04/51/55/1077045155.db2.gz PQBRWARJBIYYDW-QGZVFWFLSA-N 0 3 412.515 2.203 20 0 HEADHN Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cn1 ZINC000743414437 1077049972 /nfs/dbraw/zinc/04/99/72/1077049972.db2.gz XHPJCIMFGGBVFK-IBGZPJMESA-N 0 3 406.490 2.242 20 0 HEADHN C[C@H]1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CCN1Cc1ccccc1 ZINC000743547050 1077066589 /nfs/dbraw/zinc/06/65/89/1077066589.db2.gz LYTZHINPVVHZCU-SFHVURJKSA-N 0 3 405.506 2.468 20 0 HEADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccnn2C2CCCCC2)CC1 ZINC000743906683 1077219067 /nfs/dbraw/zinc/21/90/67/1077219067.db2.gz KOXRDFYIOGSJSJ-UHFFFAOYSA-N 0 3 405.543 2.332 20 0 HEADHN COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1 ZINC000743906143 1077219537 /nfs/dbraw/zinc/21/95/37/1077219537.db2.gz FBRIVCHYYURTEO-GOSISDBHSA-N 0 3 401.507 2.163 20 0 HEADHN Cc1nccn1-c1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cn1 ZINC000743972333 1077275356 /nfs/dbraw/zinc/27/53/56/1077275356.db2.gz MPMCFQNGUSEFNI-HXUWFJFHSA-N 0 3 418.501 2.247 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCS[C@H](C(C)C)C3)cc2)CC1 ZINC000743991816 1077282881 /nfs/dbraw/zinc/28/28/81/1077282881.db2.gz AMWCOGMRSDUTBF-IBGZPJMESA-N 0 3 404.580 2.367 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)cc2)CC1 ZINC000743977445 1077290974 /nfs/dbraw/zinc/29/09/74/1077290974.db2.gz IKXHEWSDUMZJFL-OAQYLSRUSA-N 0 3 410.518 2.007 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000743977914 1077292165 /nfs/dbraw/zinc/29/21/65/1077292165.db2.gz AQSKUTRHORPFBW-CYBMUJFWSA-N 0 3 409.412 2.430 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000744653215 1077539453 /nfs/dbraw/zinc/53/94/53/1077539453.db2.gz SORWBRDFKYIQCC-SFHVURJKSA-N 0 3 417.428 2.014 20 0 HEADHN O=C(Nc1ccc(C(=O)NCCN2CCCC2)cc1)c1cnn(-c2ccc(F)cc2)n1 ZINC000737556053 1077598824 /nfs/dbraw/zinc/59/88/24/1077598824.db2.gz YRTKAMONLUWZQK-UHFFFAOYSA-N 0 3 422.464 2.484 20 0 HEADHN Cc1nccn1-c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(F)c2)cn1 ZINC000744908575 1077661230 /nfs/dbraw/zinc/66/12/30/1077661230.db2.gz WRFZBLUQNJNCJE-UHFFFAOYSA-N 0 3 424.480 2.244 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2cc(C3CC3)n(C)n2)CC1 ZINC000745261918 1077794441 /nfs/dbraw/zinc/79/44/41/1077794441.db2.gz VMZZBECRIKKQRU-UHFFFAOYSA-N 0 3 410.518 2.497 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000745429480 1077824049 /nfs/dbraw/zinc/82/40/49/1077824049.db2.gz URBATDVOBXBXCX-HXUWFJFHSA-N 0 3 402.539 2.175 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN1CCN(Cc2ccc(Cl)nc2)CC1)c1ccccc1 ZINC000771760867 1079514641 /nfs/dbraw/zinc/51/46/41/1079514641.db2.gz KJFACLDNKNFVON-FQEVSTJZSA-N 0 3 415.969 2.272 20 0 HEADHN CCN(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771773041 1079526430 /nfs/dbraw/zinc/52/64/30/1079526430.db2.gz VNAHBVUKCRNKPV-MOPGFXCFSA-N 0 3 422.595 2.434 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@](C)(NCC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC000766937998 1079528298 /nfs/dbraw/zinc/52/82/98/1079528298.db2.gz FFOYOJXPNPKNAL-VGOFRKELSA-N 0 3 403.523 2.389 20 0 HEADHN CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767144220 1079679025 /nfs/dbraw/zinc/67/90/25/1079679025.db2.gz OOXICKRKEIHUDP-VGSWGCGISA-N 0 3 400.523 2.268 20 0 HEADHN O=C(CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O)NC1CCCCCCC1 ZINC000767141035 1079680014 /nfs/dbraw/zinc/68/00/14/1079680014.db2.gz LWHOQMBCXLPINT-HSZRJFAPSA-N 0 3 412.534 2.412 20 0 HEADHN CC[C@H](c1ccccc1)n1cc(O)n(-c2ccc(Cc3[nH]c(O)nc3O)cc2)c1=O ZINC000772083795 1079692051 /nfs/dbraw/zinc/69/20/51/1079692051.db2.gz DROFPQYNYDYHKG-ZWKOTPCHSA-N 0 3 406.442 2.357 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000767168219 1079704127 /nfs/dbraw/zinc/70/41/27/1079704127.db2.gz MRWUTUXBDHVJEE-OALUTQOASA-N 0 3 422.595 2.434 20 0 HEADHN Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)c3ccccc3)C2=O)cc1 ZINC000746528049 1079715437 /nfs/dbraw/zinc/71/54/37/1079715437.db2.gz ANVQEMWHIFFJSW-HSZRJFAPSA-N 0 3 408.502 2.357 20 0 HEADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@H](c2nncn2C(C)C)C1 ZINC000772216537 1079743836 /nfs/dbraw/zinc/74/38/36/1079743836.db2.gz FRCMCSLYTGAMDQ-HAKPAVFJSA-N 0 3 407.540 2.018 20 0 HEADHN CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C1(C(N)=O)CCCC1 ZINC000772233780 1079779469 /nfs/dbraw/zinc/77/94/69/1079779469.db2.gz ZCHPBYGOKCCQNY-ROUUACIJSA-N 0 3 405.539 2.213 20 0 HEADHN NC(=O)c1cc(OC2CCN(C[C@H](O)COc3ccc(Cl)cc3)CC2)ccn1 ZINC000772352106 1079811380 /nfs/dbraw/zinc/81/13/80/1079811380.db2.gz TWRHYJRZADODJF-HNNXBMFYSA-N 0 3 405.882 2.117 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccnc(SC)c3)cc2)CC1 ZINC000772330065 1079823010 /nfs/dbraw/zinc/82/30/10/1079823010.db2.gz JIKQMTZNIWDMDT-UHFFFAOYSA-N 0 3 413.547 2.200 20 0 HEADHN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000767353557 1079826711 /nfs/dbraw/zinc/82/67/11/1079826711.db2.gz GFHMDWVQGDKQQH-AQNXPRMDSA-N 0 3 403.523 2.307 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)cc2)CC1 ZINC000772578286 1079937323 /nfs/dbraw/zinc/93/73/23/1079937323.db2.gz RSRGJIXYPNUBCH-OAQYLSRUSA-N 0 3 411.550 2.148 20 0 HEADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772633499 1079993866 /nfs/dbraw/zinc/99/38/66/1079993866.db2.gz QDIWHCQDZISFGL-IRXDYDNUSA-N 0 3 414.333 2.358 20 0 HEADHN S=C(NNC(=S)NC1CCN(Cc2ccccc2)CC1)Nc1ccccn1 ZINC000767710400 1080044441 /nfs/dbraw/zinc/04/44/41/1080044441.db2.gz HMKWBNZFNWZIOF-UHFFFAOYSA-N 0 3 400.577 2.412 20 0 HEADHN CSC[C@@H]1CCCN1CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000767769605 1080077918 /nfs/dbraw/zinc/07/79/18/1080077918.db2.gz BJGUCNSSVNAUBN-RXVVDRJESA-N 0 3 402.564 2.358 20 0 HEADHN CCCN1CCC(NC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CC1 ZINC000767787789 1080094392 /nfs/dbraw/zinc/09/43/92/1080094392.db2.gz MPNFGGACUQISDP-ALOPSCKCSA-N 0 3 407.555 2.439 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)ccc2OC)CC1=O ZINC000785652141 1080104981 /nfs/dbraw/zinc/10/49/81/1080104981.db2.gz XJJKQCAFOJRZSA-IAGOWNOFSA-N 0 3 402.491 2.062 20 0 HEADHN CN(C[C@H]1CCCCO1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170048922 1080161258 /nfs/dbraw/zinc/16/12/58/1080161258.db2.gz VJQWVFYQAJYABL-ZACQAIPSSA-N 0 3 413.584 2.398 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2[C@H](C)CC[C@@H]2C)CC1 ZINC000785730720 1080205228 /nfs/dbraw/zinc/20/52/28/1080205228.db2.gz NYCOHLWPHSPDSU-BGYRXZFFSA-N 0 3 401.551 2.445 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCC[C@@]23CCOC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049607 1080213098 /nfs/dbraw/zinc/21/30/98/1080213098.db2.gz CIWUBEMDRQUAPQ-GUXCAODWSA-N 0 3 411.568 2.152 20 0 HEADHN Cc1c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)nnn1Cc1ccc(F)cc1 ZINC000767921498 1080216726 /nfs/dbraw/zinc/21/67/26/1080216726.db2.gz IVEAQPKCKLRVFP-IBGZPJMESA-N 0 3 401.486 2.147 20 0 HEADHN CS(=O)(=O)CC1(COC(=O)c2ccc(CN3CCC(CO)CC3)cc2)CCC1 ZINC000785709899 1080218519 /nfs/dbraw/zinc/21/85/19/1080218519.db2.gz UXSKYWLBQCAOQA-UHFFFAOYSA-N 0 3 409.548 2.263 20 0 HEADHN COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000785709858 1080218655 /nfs/dbraw/zinc/21/86/55/1080218655.db2.gz UAIYMFKKQGINOL-INIZCTEOSA-N 0 3 402.491 2.239 20 0 HEADHN C[C@@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(=O)NCC(F)(F)F ZINC000785713353 1080221456 /nfs/dbraw/zinc/22/14/56/1080221456.db2.gz YXJJRIJIZTXDOK-CYBMUJFWSA-N 0 3 402.413 2.115 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000785769187 1080238917 /nfs/dbraw/zinc/23/89/17/1080238917.db2.gz IHXSQTLYWAFZKL-MRXNPFEDSA-N 0 3 406.502 2.379 20 0 HEADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@@]1(O)CCc2ccccc2C1 ZINC000785841738 1080267425 /nfs/dbraw/zinc/26/74/25/1080267425.db2.gz OFGKCMSVBZAHHA-RUZDIDTESA-N 0 3 407.558 2.231 20 0 HEADHN CC(C)O[C@H]1CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170052421 1080295520 /nfs/dbraw/zinc/29/55/20/1080295520.db2.gz SJRLLZZRXXMSIA-IKGGRYGDSA-N 0 3 413.584 2.397 20 0 HEADHN Cc1ccccc1[C@@H](O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000768067734 1080303152 /nfs/dbraw/zinc/30/31/52/1080303152.db2.gz HCFKJYWJJUUTGL-QFIPXVFZSA-N 0 3 424.545 2.314 20 0 HEADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)N(C)C ZINC000786025491 1080340019 /nfs/dbraw/zinc/34/00/19/1080340019.db2.gz OMDLZIQXDPJPPJ-UWJYYQICSA-N 0 3 420.517 2.381 20 0 HEADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCCN(c2ncccc2F)CC1 ZINC000786002281 1080361792 /nfs/dbraw/zinc/36/17/92/1080361792.db2.gz AIHOGNOVWOTIKC-UHFFFAOYSA-N 0 3 413.497 2.268 20 0 HEADHN C[C@H](N[C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000768217494 1080420450 /nfs/dbraw/zinc/42/04/50/1080420450.db2.gz MLCKFWDVQLDNTP-ZWOKBUDYSA-N 0 3 415.490 2.300 20 0 HEADHN CCNC(=O)COc1ccc(CN2CCC(C(=O)NCC(C)C)CC2)cc1OC ZINC000768230537 1080432981 /nfs/dbraw/zinc/43/29/81/1080432981.db2.gz RDYKQCIFRMGQOH-UHFFFAOYSA-N 0 3 405.539 2.194 20 0 HEADHN O=S1(=O)CCC(CCNC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000768287192 1080460129 /nfs/dbraw/zinc/46/01/29/1080460129.db2.gz UUCGRGSPHPMZRP-UHFFFAOYSA-N 0 3 409.621 2.330 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000786247169 1080487153 /nfs/dbraw/zinc/48/71/53/1080487153.db2.gz BNTKMDQTZJWRIU-FXAWDEMLSA-N 0 3 414.554 2.014 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768330522 1080490566 /nfs/dbraw/zinc/49/05/66/1080490566.db2.gz UTTDBWGINBDIFN-UHFFFAOYSA-N 0 3 421.501 2.425 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000786344376 1080552973 /nfs/dbraw/zinc/55/29/73/1080552973.db2.gz OFDLSGXYDBSGIK-ZDUSSCGKSA-N 0 3 411.344 2.050 20 0 HEADHN CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCCCC1 ZINC000786389606 1080582458 /nfs/dbraw/zinc/58/24/58/1080582458.db2.gz DENZWSXVKQVOSY-KRWDZBQOSA-N 0 3 422.570 2.027 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1CCCCC1 ZINC000768715714 1080731966 /nfs/dbraw/zinc/73/19/66/1080731966.db2.gz HBCSDHGGUDUXKK-ZDUSSCGKSA-N 0 3 424.427 2.215 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000746600218 1080768683 /nfs/dbraw/zinc/76/86/83/1080768683.db2.gz QOLWJUKXHLXSHF-MRXNPFEDSA-N 0 3 423.970 2.456 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000786719300 1080771236 /nfs/dbraw/zinc/77/12/36/1080771236.db2.gz OOBUCEHNRWYGKV-ZWKOTPCHSA-N 0 3 419.551 2.193 20 0 HEADHN C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CCN1CCc2ccccc2C1 ZINC000786814949 1080840881 /nfs/dbraw/zinc/84/08/81/1080840881.db2.gz DUIJTHDHZLVTDL-QFBILLFUSA-N 0 3 401.507 2.383 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)CN(C)C(=O)OCc2ccccc2)CC1 ZINC001169997819 1080873430 /nfs/dbraw/zinc/87/34/30/1080873430.db2.gz FUAMLHOVXDCPAB-UHFFFAOYSA-N 0 3 403.523 2.358 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786903230 1080876758 /nfs/dbraw/zinc/87/67/58/1080876758.db2.gz WSTZMDIZLUBBKR-GOSISDBHSA-N 0 3 414.550 2.317 20 0 HEADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC(F)(F)C(F)F)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001109419095 1080890868 /nfs/dbraw/zinc/89/08/68/1080890868.db2.gz IHHGZCMDMQMLFP-NTASLKFISA-N 0 3 404.408 2.152 20 0 HEADHN CN1CCN(CCCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769077115 1080929752 /nfs/dbraw/zinc/92/97/52/1080929752.db2.gz OPKAJQKUJREHHM-FQEVSTJZSA-N 0 3 416.566 2.275 20 0 HEADHN COC(=O)CC(C)(C)C(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000769123021 1080944833 /nfs/dbraw/zinc/94/48/33/1080944833.db2.gz TUBKWQIWVFNVPZ-UHFFFAOYSA-N 0 3 404.507 2.162 20 0 HEADHN CN(C)c1ccc(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cn1 ZINC000769192122 1080967529 /nfs/dbraw/zinc/96/75/29/1080967529.db2.gz DDKAUTFUESJWDI-KRWDZBQOSA-N 0 3 405.543 2.001 20 0 HEADHN CCN1CCN(CCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769204878 1081001253 /nfs/dbraw/zinc/00/12/53/1081001253.db2.gz ISILZCZHJWNYHN-HXUWFJFHSA-N 0 3 416.566 2.275 20 0 HEADHN CN1C(=O)NC2(CCN(CCOc3ccccc3C(=O)OC(C)(C)C)CC2)C1=O ZINC000769217237 1081005378 /nfs/dbraw/zinc/00/53/78/1081005378.db2.gz MDSBKVBNNLDIKX-UHFFFAOYSA-N 0 3 403.479 2.037 20 0 HEADHN CCN(CCO)CCNC(=O)Nc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC000769232350 1081010610 /nfs/dbraw/zinc/01/06/10/1081010610.db2.gz NIGDQKUKXJVZTJ-UHFFFAOYSA-N 0 3 406.527 2.416 20 0 HEADHN CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661481 1081043683 /nfs/dbraw/zinc/04/36/83/1081043683.db2.gz KKJRUTXJRNXMIR-QGZVFWFLSA-N 0 3 411.543 2.262 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1cccc(OCC(F)(F)F)c1)N1CCCCC1 ZINC000787178011 1081046847 /nfs/dbraw/zinc/04/68/47/1081046847.db2.gz PTOCQRGPQMXDJQ-CQSZACIVSA-N 0 3 401.429 2.235 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000769423005 1081069046 /nfs/dbraw/zinc/06/90/46/1081069046.db2.gz ITVVUHOCTRTUPD-CPUCHLNUSA-N 0 3 420.000 2.349 20 0 HEADHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000769434571 1081073328 /nfs/dbraw/zinc/07/33/28/1081073328.db2.gz NCDBZJGYXPBQEJ-QFIPXVFZSA-N 0 3 412.534 2.271 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787265365 1081099626 /nfs/dbraw/zinc/09/96/26/1081099626.db2.gz ZLDNVTWCISCOPL-QAPCUYQASA-N 0 3 410.559 2.184 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccccc2I)CC1 ZINC000769534685 1081113124 /nfs/dbraw/zinc/11/31/24/1081113124.db2.gz WPELAZLECDFCBS-MRXNPFEDSA-N 0 3 413.303 2.030 20 0 HEADHN CCN(CCO)CCNC(=O)c1c2c(sc1NC(=O)c1cccnc1)CCCC2 ZINC000769635794 1081154531 /nfs/dbraw/zinc/15/45/31/1081154531.db2.gz PNLLCDYRQCUDKN-UHFFFAOYSA-N 0 3 416.547 2.318 20 0 HEADHN CCN(CCO)CCNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl ZINC000769635816 1081154551 /nfs/dbraw/zinc/15/45/51/1081154551.db2.gz PSWNMDFFFOSNNU-UHFFFAOYSA-N 0 3 422.263 2.253 20 0 HEADHN COc1cccc(COC[C@@H](O)CN2CCC(OC)(c3nc(C4CC4)no3)CC2)c1 ZINC000225838896 568782924 /nfs/dbraw/zinc/78/29/24/568782924.db2.gz JONXSBJFGDJMRT-SFHVURJKSA-N 0 3 417.506 2.471 20 0 HEADHN COc1cccc(-c2cc(C(F)(F)N3CCNC(=O)C34CNC4)cnc2Cl)c1 ZINC001164413218 718879610 /nfs/dbraw/zinc/87/96/10/718879610.db2.gz DTFBMTBMFDYUEA-UHFFFAOYSA-N 0 3 408.836 2.234 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)c1 ZINC001164654523 719322312 /nfs/dbraw/zinc/32/23/12/719322312.db2.gz QXXBWCQINLIGGQ-QFIPXVFZSA-N 0 3 411.481 2.324 20 0 HEADHN O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ccc(CN2CCCC2)cn1)N1CCCC1 ZINC001164711448 720085292 /nfs/dbraw/zinc/08/52/92/720085292.db2.gz MYOATRQNBCFTEI-VIZSFHNOSA-N 0 3 414.550 2.053 20 0 HEADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738330 720665039 /nfs/dbraw/zinc/66/50/39/720665039.db2.gz IYLHEPKYFGNXGU-LSDHHAIUSA-N 0 3 417.897 2.352 20 0 HEADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743713 720703402 /nfs/dbraw/zinc/70/34/02/720703402.db2.gz XUVQMMITYTYOIF-VQTJNVASSA-N 0 3 416.485 2.466 20 0 HEADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164741819 720741805 /nfs/dbraw/zinc/74/18/05/720741805.db2.gz NCCIFJAHEIXTEY-UXHICEINSA-N 0 3 417.517 2.342 20 0 HEADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1)C1CC1 ZINC001164737923 720751093 /nfs/dbraw/zinc/75/10/93/720751093.db2.gz DMUSPLCQAFSWKH-DYXWJJEUSA-N 0 3 423.517 2.270 20 0 HEADHN COc1ccccc1-c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737527 720770744 /nfs/dbraw/zinc/77/07/44/720770744.db2.gz CETRANGBLPFVEX-IAGOWNOFSA-N 0 3 404.474 2.284 20 0 HEADHN O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164851475 720817045 /nfs/dbraw/zinc/81/70/45/720817045.db2.gz LMKTTXXHUADGAK-DHLKQENFSA-N 0 3 420.557 2.489 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@@H]3C2)c1 ZINC001164759377 721022543 /nfs/dbraw/zinc/02/25/43/721022543.db2.gz MACLGMBFYRVHGI-HKBOAZHASA-N 0 3 409.534 2.086 20 0 HEADHN COC(=O)c1c(Cl)ccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868638 721053764 /nfs/dbraw/zinc/05/37/64/721053764.db2.gz OXOXYWHHRFEGSD-HZPDHXFCSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164869958 721057486 /nfs/dbraw/zinc/05/74/86/721057486.db2.gz USSQXPXTZZXMAJ-VQTJNVASSA-N 0 3 419.485 2.291 20 0 HEADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)C[C@@H]3C2)cn1 ZINC001164770474 721090514 /nfs/dbraw/zinc/09/05/14/721090514.db2.gz QMNYVYDSAYPNCB-IRXDYDNUSA-N 0 3 406.490 2.093 20 0 HEADHN CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164762710 721134333 /nfs/dbraw/zinc/13/43/33/721134333.db2.gz DHXQXOZHRDYTGF-RBUKOAKNSA-N 0 3 420.517 2.498 20 0 HEADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164774401 721175270 /nfs/dbraw/zinc/17/52/70/721175270.db2.gz YYJMHWYFBWTOCL-YQHFQFMOSA-N 0 3 420.517 2.441 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@H]2OCC[C@@H]21 ZINC001164877431 721304488 /nfs/dbraw/zinc/30/44/88/721304488.db2.gz IRKXJEIVYAPGJB-YPAWHYETSA-N 0 3 421.545 2.230 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889447 721400461 /nfs/dbraw/zinc/40/04/61/721400461.db2.gz QNWKYPOWFVUXED-YWZLYKJASA-N 0 3 419.961 2.080 20 0 HEADHN CCN(CC)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164885604 721424353 /nfs/dbraw/zinc/42/43/53/721424353.db2.gz GSTBQLYEDVCQHU-DENIHFKCSA-N 0 3 402.587 2.088 20 0 HEADHN COC(=O)c1cnc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902076 721512869 /nfs/dbraw/zinc/51/28/69/721512869.db2.gz YYYJAFVAPOQEGO-DZGCQCFKSA-N 0 3 406.845 2.398 20 0 HEADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164900013 721513313 /nfs/dbraw/zinc/51/33/13/721513313.db2.gz NBUNWNPQXREPFE-IFMALSPDSA-N 0 3 412.509 2.395 20 0 HEADHN COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1OC ZINC001164901309 721517070 /nfs/dbraw/zinc/51/70/70/721517070.db2.gz WNZUEKYAHYKOHZ-WBVHZDCISA-N 0 3 401.438 2.358 20 0 HEADHN COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1OC ZINC001164901307 721517363 /nfs/dbraw/zinc/51/73/63/721517363.db2.gz WNZUEKYAHYKOHZ-RDJZCZTQSA-N 0 3 401.438 2.358 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CNCC3)[C@@H]2CCCO[C@H]12 ZINC001164795701 721526324 /nfs/dbraw/zinc/52/63/24/721526324.db2.gz RSKITCGAZXEYKB-QRVBRYPASA-N 0 3 414.941 2.039 20 0 HEADHN CCOC(=O)c1c(C)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902850 721535809 /nfs/dbraw/zinc/53/58/09/721535809.db2.gz BMGZCUYJSJLALW-FUHWJXTLSA-N 0 3 400.454 2.443 20 0 HEADHN COCCOC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164903588 721564389 /nfs/dbraw/zinc/56/43/89/721564389.db2.gz CVTPYJHQPRWONA-AZUAARDMSA-N 0 3 415.465 2.366 20 0 HEADHN O=C(CO[C@@H]1CO[C@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)N1CCCC1 ZINC001164937911 721919504 /nfs/dbraw/zinc/91/95/04/721919504.db2.gz HIZGNHLCSLKCIR-NZQKXSOJSA-N 0 3 414.550 2.054 20 0 HEADHN COC(=O)c1c[nH]c2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164979755 722109273 /nfs/dbraw/zinc/10/92/73/722109273.db2.gz PSDFNQPBGDYXFG-YLJYHZDGSA-N 0 3 421.501 2.472 20 0 HEADHN F[C@H](Oc1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971063 722152887 /nfs/dbraw/zinc/15/28/87/722152887.db2.gz AGQTYJPGPUHWSX-GJYPPUQNSA-N 0 3 407.877 2.380 20 0 HEADHN CN(Cc1ccc(-n2c([C@H]3COCCN3)nccc2=NCc2ccco2)nc1)C1CC1 ZINC001164986333 722172979 /nfs/dbraw/zinc/17/29/79/722172979.db2.gz JUSCJRVACVLNIT-HXUWFJFHSA-N 0 3 420.517 2.216 20 0 HEADHN CCc1c(Br)cc(C(=O)NCCN(C)CCO)cc1Br ZINC001155251112 1076719690 /nfs/dbraw/zinc/71/96/90/1076719690.db2.gz IDOPYXYQJDJZMY-UHFFFAOYSA-N 0 3 408.134 2.428 20 0 HEADHN O=C(OCc1ccccc1)N1CCC(CS(=O)(=O)NCCCN2CCCC2)CC1 ZINC000769625767 1078480002 /nfs/dbraw/zinc/48/00/02/1078480002.db2.gz LLPAXQQVWCULGZ-UHFFFAOYSA-N 0 3 423.579 2.441 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)N/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000769726828 1078537964 /nfs/dbraw/zinc/53/79/64/1078537964.db2.gz QBMPJGXDSFMKNJ-DTBMRADHSA-N 0 3 419.529 2.225 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H]1CS(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000769755982 1078541966 /nfs/dbraw/zinc/54/19/66/1078541966.db2.gz OQRVBGAPCCVJJU-WOJBJXKFSA-N 0 3 421.563 2.191 20 0 HEADHN CCCn1c(CO)nn(CN2CCN(CCN(C)Cc3ccccc3)CC2)c1=S ZINC000769835282 1078597244 /nfs/dbraw/zinc/59/72/44/1078597244.db2.gz WABVCMOQKFBAQY-UHFFFAOYSA-N 0 3 418.611 2.023 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000766333192 1078597661 /nfs/dbraw/zinc/59/76/61/1078597661.db2.gz HWWZOCDLVZOYQK-SFHVURJKSA-N 0 3 424.586 2.227 20 0 HEADHN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN(CC3CCC3)C(C)C)C2=O)cc1 ZINC000769919518 1078634983 /nfs/dbraw/zinc/63/49/83/1078634983.db2.gz GHLGOQVXOYYKEA-OAQYLSRUSA-N 0 3 402.495 2.004 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@@]3(CC(=O)OC)CCCOC3)c(C)c2)CC1 ZINC000769964103 1078655820 /nfs/dbraw/zinc/65/58/20/1078655820.db2.gz VHBKKOSINBVQOF-JOCHJYFZSA-N 0 3 418.538 2.371 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000769967433 1078657692 /nfs/dbraw/zinc/65/76/92/1078657692.db2.gz BSDCBOQRSAIGTO-SFTDATJTSA-N 0 3 411.550 2.324 20 0 HEADHN COc1cc2c(c(OC)c1OC)CCN(Cc1ccc(OCC(N)=O)cc1)CC2 ZINC000769940329 1078665981 /nfs/dbraw/zinc/66/59/81/1078665981.db2.gz GAYCZIPDWLGPRE-UHFFFAOYSA-N 0 3 400.475 2.177 20 0 HEADHN Cc1ccc(N2CC[C@@H](NC(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000745858862 1078675944 /nfs/dbraw/zinc/67/59/44/1078675944.db2.gz MWWCUQUNWUDXBS-QPPBQGQZSA-N 0 3 422.529 2.037 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863168 1078678293 /nfs/dbraw/zinc/67/82/93/1078678293.db2.gz RXQIEWAWGWVNQI-NQIIRXRSSA-N 0 3 406.571 2.080 20 0 HEADHN C[C@@H](CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)CN1CCN(C)CC1 ZINC000745862966 1078678866 /nfs/dbraw/zinc/67/88/66/1078678866.db2.gz QRQUNRKUTCLCES-XJKSGUPXSA-N 0 3 403.354 2.210 20 0 HEADHN CC(C)N(CCN(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000770008378 1078683990 /nfs/dbraw/zinc/68/39/90/1078683990.db2.gz PLHVFWLWOVIZMK-LJQANCHMSA-N 0 3 412.893 2.045 20 0 HEADHN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[C@H](c1ccccc1)N(C)C ZINC000770046420 1078703521 /nfs/dbraw/zinc/70/35/21/1078703521.db2.gz GMSGGAUOMJWNPI-VHKYSDTDSA-N 0 3 411.481 2.053 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000745946289 1078705083 /nfs/dbraw/zinc/70/50/83/1078705083.db2.gz RTUMXVOMYOPCNQ-CRAIPNDOSA-N 0 3 414.472 2.419 20 0 HEADHN C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@H](c1ccccc1)N(C)C ZINC000770050422 1078705375 /nfs/dbraw/zinc/70/53/75/1078705375.db2.gz REYPAQKPFIXDFB-IFXJQAMLSA-N 0 3 407.511 2.497 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@H](c1ccccc1)N(C)C ZINC000770053327 1078706675 /nfs/dbraw/zinc/70/66/75/1078706675.db2.gz ZHBZHZHENTYAOU-FBOFTVOISA-N 0 3 420.513 2.188 20 0 HEADHN CC(=O)Nc1ccc(OC[C@H](O)CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745944128 1078709189 /nfs/dbraw/zinc/70/91/89/1078709189.db2.gz PGRKNRMSCAOCCB-ZWKOTPCHSA-N 0 3 407.511 2.326 20 0 HEADHN C[C@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)Cc2ccccc2C(=O)O1 ZINC000746011877 1078732012 /nfs/dbraw/zinc/73/20/12/1078732012.db2.gz QUJYOCUJQVZJKF-XMMPIXPASA-N 0 3 408.498 2.431 20 0 HEADHN CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746054772 1078763215 /nfs/dbraw/zinc/76/32/15/1078763215.db2.gz JKIIXKFAJGDCDM-SFHVURJKSA-N 0 3 402.520 2.462 20 0 HEADHN COc1cc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)ccn1 ZINC001170013361 1078763657 /nfs/dbraw/zinc/76/36/57/1078763657.db2.gz FZLHNEJJMZQSTR-HOTGVXAUSA-N 0 3 422.551 2.091 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000770173660 1078769089 /nfs/dbraw/zinc/76/90/89/1078769089.db2.gz IDCYWJYPXSYUCX-BPJJOFIESA-N 0 3 417.291 2.040 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770175375 1078770594 /nfs/dbraw/zinc/77/05/94/1078770594.db2.gz XGDJCAPFVLWJOD-TZIWHRDSSA-N 0 3 416.566 2.177 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CC1=O ZINC000746107870 1078788535 /nfs/dbraw/zinc/78/85/35/1078788535.db2.gz BLAPMAHPMHPQFC-SFHVURJKSA-N 0 3 424.549 2.410 20 0 HEADHN CCOC(=O)[C@H]1CSCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000746116237 1078794795 /nfs/dbraw/zinc/79/47/95/1078794795.db2.gz DFFKOKKVIPWSFF-LJQANCHMSA-N 0 3 405.564 2.014 20 0 HEADHN CN(CCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C1CCCCC1 ZINC000746171118 1078810069 /nfs/dbraw/zinc/81/00/69/1078810069.db2.gz RKJQKJNAZYQDHV-UHFFFAOYSA-N 0 3 424.498 2.177 20 0 HEADHN CCN1CCN(CCNC(=O)C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000746160641 1078812585 /nfs/dbraw/zinc/81/25/85/1078812585.db2.gz DZPHYLHEHGASQJ-IBGZPJMESA-N 0 3 404.555 2.396 20 0 HEADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000770333934 1078815875 /nfs/dbraw/zinc/81/58/75/1078815875.db2.gz APTKYNOGZIUYBK-YLJYHZDGSA-N 0 3 403.527 2.131 20 0 HEADHN C[C@@](O)(C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000746219642 1078824864 /nfs/dbraw/zinc/82/48/64/1078824864.db2.gz LYUBBPPXWWNSAG-CTNGQTDRSA-N 0 3 422.447 2.448 20 0 HEADHN Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770384411 1078835663 /nfs/dbraw/zinc/83/56/63/1078835663.db2.gz RMYNLBYRJPEKGF-PKOBYXMFSA-N 0 3 419.570 2.456 20 0 HEADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 ZINC000770443887 1078856190 /nfs/dbraw/zinc/85/61/90/1078856190.db2.gz MVEDRYIRIVQIHT-QGZVFWFLSA-N 0 3 412.519 2.433 20 0 HEADHN CN1CCN(CCCCNC(=O)N2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000746330190 1078861084 /nfs/dbraw/zinc/86/10/84/1078861084.db2.gz GQKXSKZHUBCSFN-SFTDATJTSA-N 0 3 406.546 2.451 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000770590680 1078899522 /nfs/dbraw/zinc/89/95/22/1078899522.db2.gz OEFANWSNOUSCSX-WMLDXEAASA-N 0 3 402.461 2.064 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000770593278 1078900031 /nfs/dbraw/zinc/90/00/31/1078900031.db2.gz ZHZCAKBUMIHRRL-KURKYZTESA-N 0 3 411.591 2.100 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770602130 1078903232 /nfs/dbraw/zinc/90/32/32/1078903232.db2.gz QSABTRLCZHZLLY-TZIWHRDSSA-N 0 3 416.566 2.035 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746407243 1078903333 /nfs/dbraw/zinc/90/33/33/1078903333.db2.gz PPNRDRMIUXCRHO-RYUDHWBXSA-N 0 3 416.703 2.020 20 0 HEADHN COCCN1CCC(NC(=O)NC2CCN(c3ccc(N(C)C)cc3)CC2)CC1 ZINC000745782158 1078918489 /nfs/dbraw/zinc/91/84/89/1078918489.db2.gz ZTIWYNRJWOOERF-UHFFFAOYSA-N 0 3 403.571 2.131 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363171 1078925094 /nfs/dbraw/zinc/92/50/94/1078925094.db2.gz HAJUTOHISJZNAN-XUVXKRRUSA-N 0 3 401.507 2.015 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCSC(F)(F)F)c2)CC1 ZINC000770717968 1078946266 /nfs/dbraw/zinc/94/62/66/1078946266.db2.gz DMABVDHWRBUENX-UHFFFAOYSA-N 0 3 404.458 2.136 20 0 HEADHN CCN1CCN(CCCNC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000746447843 1078985960 /nfs/dbraw/zinc/98/59/60/1078985960.db2.gz DCDQWDGADVZWAO-UHFFFAOYSA-N 0 3 414.472 2.098 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H]3CCCc4nc(C)ncc43)c2)CC1 ZINC000770747928 1079003431 /nfs/dbraw/zinc/00/34/31/1079003431.db2.gz VYOCTEMSCJMYAS-OAQYLSRUSA-N 0 3 422.533 2.059 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](CCO)c3cccs3)c2)CC1 ZINC000770752161 1079006099 /nfs/dbraw/zinc/00/60/99/1079006099.db2.gz RAQISDWDNRJSDV-SFHVURJKSA-N 0 3 416.547 2.068 20 0 HEADHN CCOC(=O)C1=C(CN[C@](C)(CO)C2CCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000746469824 1079019029 /nfs/dbraw/zinc/01/90/29/1079019029.db2.gz DVAIFKNSZGFOGK-GHTZIAJQSA-N 0 3 405.495 2.372 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000770799548 1079022239 /nfs/dbraw/zinc/02/22/39/1079022239.db2.gz DTNJKWCHPLHALZ-ZDUSSCGKSA-N 0 3 418.485 2.379 20 0 HEADHN C[C@@H]1C[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)CN1C(=O)OC(C)(C)C ZINC001168855077 1079053620 /nfs/dbraw/zinc/05/36/20/1079053620.db2.gz IRPLTXGHPZWCBK-HVMFNXBNSA-N 0 3 423.554 2.275 20 0 HEADHN C[C@H]1C[C@H](N2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168854575 1079053645 /nfs/dbraw/zinc/05/36/45/1079053645.db2.gz HKOHFDUZWYWWPM-HZZCBIDNSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@H]1C[C@@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168861135 1079056073 /nfs/dbraw/zinc/05/60/73/1079056073.db2.gz WTGVLUZJINNDIO-YCVVXREPSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@@H]1C[C@@H](N2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)CN1C(=O)OC(C)(C)C ZINC001168869811 1079059329 /nfs/dbraw/zinc/05/93/29/1079059329.db2.gz XWJNSVMERCNYQY-BZLDKRAPSA-N 0 3 410.559 2.279 20 0 HEADHN C[C@H]1C[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849859 1079061052 /nfs/dbraw/zinc/06/10/52/1079061052.db2.gz LYZBATRBSCCINH-LSDHHAIUSA-N 0 3 401.511 2.111 20 0 HEADHN COc1ccc(CN2CC[C@H](NCc3cccc(N4CCOCC4=O)c3)CC2=O)cc1 ZINC001168913440 1079074349 /nfs/dbraw/zinc/07/43/49/1079074349.db2.gz GIOAQAZPERWGDU-FQEVSTJZSA-N 0 3 423.513 2.339 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(Cc4ccccc4)[C@@H](CO)C3)CC2=O)cc1 ZINC001168927897 1079086553 /nfs/dbraw/zinc/08/65/53/1079086553.db2.gz VEGQEILNVQKMHW-DHIUTWEWSA-N 0 3 423.557 2.365 20 0 HEADHN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CN3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003437 1079097309 /nfs/dbraw/zinc/09/73/09/1079097309.db2.gz HPVBIJKXCMXDEY-MSOLQXFVSA-N 0 3 422.570 2.329 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cn(-c2ccccc2Br)nn1 ZINC000771041767 1079099874 /nfs/dbraw/zinc/09/98/74/1079099874.db2.gz YFMMLJWTMUCNFF-AWEZNQCLSA-N 0 3 420.311 2.013 20 0 HEADHN COc1ccccc1-c1cc(C(F)(F)N(C)S(=O)(=O)CCN)c(Cl)nn1 ZINC001156240377 1079101385 /nfs/dbraw/zinc/10/13/85/1079101385.db2.gz NUESUJIDRWDWAF-UHFFFAOYSA-N 0 3 406.842 2.075 20 0 HEADHN COc1ccc(NC(=O)Cc2noc([C@@]3(O)CCN(Cc4ccccc4)C3)n2)cc1 ZINC000771059308 1079119588 /nfs/dbraw/zinc/11/95/88/1079119588.db2.gz KLLBXGVFXJRHFS-JOCHJYFZSA-N 0 3 408.458 2.353 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N[C@@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072630 1079124090 /nfs/dbraw/zinc/12/40/90/1079124090.db2.gz LSZMILFEUVPIMS-LZLYRXPVSA-N 0 3 420.506 2.079 20 0 HEADHN CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@H](c2cnn(C)c2)C1 ZINC001169084514 1079133667 /nfs/dbraw/zinc/13/36/67/1079133667.db2.gz NGWQNICYDBSCHM-MOPGFXCFSA-N 0 3 412.538 2.314 20 0 HEADHN CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@H](c2cnn(C)c2)C1 ZINC001169084514 1079133674 /nfs/dbraw/zinc/13/36/74/1079133674.db2.gz NGWQNICYDBSCHM-MOPGFXCFSA-N 0 3 412.538 2.314 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605321 1079155226 /nfs/dbraw/zinc/15/52/26/1079155226.db2.gz UMFIMEAOSSQEMJ-PMACEKPBSA-N 0 3 416.566 2.477 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 ZINC000771110731 1079157205 /nfs/dbraw/zinc/15/72/05/1079157205.db2.gz CYFPMEJZKUTOIT-UHFFFAOYSA-N 0 3 411.550 2.434 20 0 HEADHN CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)cc1 ZINC001169150736 1079166811 /nfs/dbraw/zinc/16/68/11/1079166811.db2.gz UUOVXWNFDKJHKJ-HXUWFJFHSA-N 0 3 415.559 2.226 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1c(F)ccc(F)c1F ZINC001169162389 1079171055 /nfs/dbraw/zinc/17/10/55/1079171055.db2.gz LTWXDYQNURLCCR-LBPRGKRZSA-N 0 3 423.439 2.200 20 0 HEADHN COCCOC(=O)Nc1cccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000771128040 1079183033 /nfs/dbraw/zinc/18/30/33/1079183033.db2.gz NYHQDJVXXSGMIF-MRXNPFEDSA-N 0 3 407.515 2.029 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccccc2CO)C[C@H]1C(=O)N1CCSC1 ZINC001170022477 1079189985 /nfs/dbraw/zinc/18/99/85/1079189985.db2.gz QDCLTWDHOJPANB-MSOLQXFVSA-N 0 3 421.563 2.179 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CO1 ZINC001169383745 1079254597 /nfs/dbraw/zinc/25/45/97/1079254597.db2.gz BNNFOQMYUFSMNN-ITTUMRLJSA-N 0 3 404.507 2.332 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510734 1079253442 /nfs/dbraw/zinc/25/34/42/1079253442.db2.gz FDMWMRXJPMUDPP-VJANTYMQSA-N 0 3 423.602 2.100 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CO1 ZINC001169384866 1079256892 /nfs/dbraw/zinc/25/68/92/1079256892.db2.gz HETPHAJLEJHXLA-RBUKOAKNSA-N 0 3 401.507 2.007 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CO1 ZINC001169387765 1079258191 /nfs/dbraw/zinc/25/81/91/1079258191.db2.gz OXYJYNSRAVDHDQ-DXIQSLLYSA-N 0 3 401.507 2.149 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)CO1 ZINC001169392701 1079262946 /nfs/dbraw/zinc/26/29/46/1079262946.db2.gz BACYUPCYESTUNG-QXCFHYIPSA-N 0 3 422.547 2.022 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CO1 ZINC001169392703 1079263390 /nfs/dbraw/zinc/26/33/90/1079263390.db2.gz BBHBGCUTJLQCHM-BPBCIEFSSA-N 0 3 411.539 2.164 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CO1 ZINC001169399712 1079273490 /nfs/dbraw/zinc/27/34/90/1079273490.db2.gz WKQRHQCNCKRFPB-PMACEKPBSA-N 0 3 400.519 2.394 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCOC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)CO1 ZINC001169397378 1079269276 /nfs/dbraw/zinc/26/92/76/1079269276.db2.gz MOHRLXBLMMBBFW-IRFCIJBXSA-N 0 3 423.579 2.087 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)CO1 ZINC001169417442 1079277572 /nfs/dbraw/zinc/27/75/72/1079277572.db2.gz GOBRTMQALQCMGK-MJGOQNOKSA-N 0 3 405.495 2.392 20 0 HEADHN CCN(C[C@@H]1CCCO1)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746507082 1079295038 /nfs/dbraw/zinc/29/50/38/1079295038.db2.gz SBKUMLIPRSMALT-SIKLNZKXSA-N 0 3 400.523 2.031 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771355425 1079302365 /nfs/dbraw/zinc/30/23/65/1079302365.db2.gz BDGXJOUHGYYZKJ-SHSGKGFPSA-N 0 3 424.545 2.148 20 0 HEADHN CCN(CC)C(=O)C[C@@H](C)N1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001169468658 1079308933 /nfs/dbraw/zinc/30/89/33/1079308933.db2.gz YJNRBMXMPDXTJW-OPAMFIHVSA-N 0 3 418.513 2.310 20 0 HEADHN CCN(CC)C(=O)C[C@@H](C)N1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001169468659 1079309073 /nfs/dbraw/zinc/30/90/73/1079309073.db2.gz YJNRBMXMPDXTJW-ZHRRBRCNSA-N 0 3 418.513 2.310 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)C(=O)C1 ZINC001169475564 1079313357 /nfs/dbraw/zinc/31/33/57/1079313357.db2.gz ZUNNKIVSBCDKEI-YRXWBPOGSA-N 0 3 407.555 2.488 20 0 HEADHN CC(=O)N1CC[C@H](NCc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001169508893 1079317074 /nfs/dbraw/zinc/31/70/74/1079317074.db2.gz COMPLXPAFTXZNB-IBGZPJMESA-N 0 3 402.539 2.454 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC001169537840 1079325360 /nfs/dbraw/zinc/32/53/60/1079325360.db2.gz BQJHRMVQECZEBE-KPCPBYSCSA-N 0 3 421.541 2.420 20 0 HEADHN CC(=O)N1CCC[C@H](N2CCOC[C@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)C1 ZINC001169605571 1079342610 /nfs/dbraw/zinc/34/26/10/1079342610.db2.gz LBGIJLYZYGWLRJ-COPCDDAFSA-N 0 3 405.514 2.356 20 0 HEADHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000771437946 1079344040 /nfs/dbraw/zinc/34/40/40/1079344040.db2.gz RXSQAHCMRGDYNH-OTWHNJEPSA-N 0 3 405.539 2.289 20 0 HEADHN NCc1ccc2c(n1)N(c1nc(Cl)c(F)cc1C(=O)N1CCOCC1)CCC2 ZINC001169583931 1079345919 /nfs/dbraw/zinc/34/59/19/1079345919.db2.gz GZLJJNYHAJVQOZ-UHFFFAOYSA-N 0 3 405.861 2.285 20 0 HEADHN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000771509861 1079365981 /nfs/dbraw/zinc/36/59/81/1079365981.db2.gz QFWOGYBUCGODJD-IFXJQAMLSA-N 0 3 407.511 2.497 20 0 HEADHN COC(=O)CCN1CCC[C@H](N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C1=O ZINC001169705426 1079381045 /nfs/dbraw/zinc/38/10/45/1079381045.db2.gz SQEKHUVFCGZLOO-HTAPYJJXSA-N 0 3 423.554 2.264 20 0 HEADHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771583923 1079381105 /nfs/dbraw/zinc/38/11/05/1079381105.db2.gz WSLJGPNQUKVQEC-BHYGNILZSA-N 0 3 411.543 2.116 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000771583968 1079381142 /nfs/dbraw/zinc/38/11/42/1079381142.db2.gz XRKJYDHWQDBYSA-CBAAQYGVSA-N 0 3 409.486 2.420 20 0 HEADHN CNC(=O)[C@H](NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 ZINC001169714803 1079382873 /nfs/dbraw/zinc/38/28/73/1079382873.db2.gz FFATXFFQOFTRHV-FUHWJXTLSA-N 0 3 420.554 2.119 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@H](N2CCc3nnc(CN4CCCCC4)n3CC2)C1 ZINC001169771346 1079405820 /nfs/dbraw/zinc/40/58/20/1079405820.db2.gz HRIQLHMSJKNPHW-NRFANRHFSA-N 0 3 422.577 2.427 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000771658834 1079429963 /nfs/dbraw/zinc/42/99/63/1079429963.db2.gz WMDRTMKOQDLZLO-KOXKPCSVSA-N 0 3 410.518 2.193 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 ZINC000771662904 1079432888 /nfs/dbraw/zinc/43/28/88/1079432888.db2.gz DTBQDQUWRDANLG-HXUWFJFHSA-N 0 3 412.578 2.061 20 0 HEADHN CCCN1CCC[C@H]1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766854590 1079440635 /nfs/dbraw/zinc/44/06/35/1079440635.db2.gz QRNMHYYFYJJXJW-HNNXBMFYSA-N 0 3 408.442 2.350 20 0 HEADHN CS(=O)(=O)C1CCC(N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)CC1 ZINC001169884523 1079458335 /nfs/dbraw/zinc/45/83/35/1079458335.db2.gz GGGCACDHIFUQBZ-GRXDXKALSA-N 0 3 420.531 2.200 20 0 HEADHN Cc1cc(=O)oc2cc(NC(=O)[C@@H](N[C@H]3CCCC4(C3)OCCO4)[C@@H](C)O)ccc12 ZINC001169935257 1079481783 /nfs/dbraw/zinc/48/17/83/1079481783.db2.gz KPZRUONNJQUUMR-IIMJZQEZSA-N 0 3 416.474 2.065 20 0 HEADHN CCC[C@@H]1CCc2c(sc(=O)n2CN2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000738155771 1075969755 /nfs/dbraw/zinc/96/97/55/1075969755.db2.gz IYGUYMZWVKQBNP-QGZVFWFLSA-N 0 3 406.596 2.012 20 0 HEADHN CCC[C@H]1CCc2c(sc(=O)n2CN2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000738155769 1075969891 /nfs/dbraw/zinc/96/98/91/1075969891.db2.gz IYGUYMZWVKQBNP-KRWDZBQOSA-N 0 3 406.596 2.012 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1Cn1nc(-c2cccs2)n(CCC(N)=O)c1=S ZINC000738286526 1075979422 /nfs/dbraw/zinc/97/94/22/1075979422.db2.gz XESLCQQBEMELJZ-CQSZACIVSA-N 0 3 408.597 2.247 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)COc1ccc(F)cc1 ZINC000738325454 1075990085 /nfs/dbraw/zinc/99/00/85/1075990085.db2.gz CIEZPNBVQCVWQF-GOSISDBHSA-N 0 3 411.518 2.050 20 0 HEADHN C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCCN(C4CCCC4)CC3)cc2)CCO1 ZINC000739121749 1076047344 /nfs/dbraw/zinc/04/73/44/1076047344.db2.gz XOVIWOGMPPKHGS-SFHVURJKSA-N 0 3 414.550 2.327 20 0 HEADHN NC(=O)[C@H]1CC(C(=O)N(CCN2CCCC2)c2ccccc2)=NN1c1ccc(F)cc1 ZINC000739649259 1076069373 /nfs/dbraw/zinc/06/93/73/1076069373.db2.gz KDVNSXZRJSELAQ-OAQYLSRUSA-N 0 3 423.492 2.375 20 0 HEADHN CN1CCN(CCCCNC(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000740029564 1076104898 /nfs/dbraw/zinc/10/48/98/1076104898.db2.gz HTIUIGRDZPQVFU-UHFFFAOYSA-N 0 3 411.591 2.149 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OCCC(C)C ZINC000740493151 1076172224 /nfs/dbraw/zinc/17/22/24/1076172224.db2.gz ALORDZKIULQEDF-RTBURBONSA-N 0 3 403.523 2.338 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000741157835 1076389821 /nfs/dbraw/zinc/38/98/21/1076389821.db2.gz GEOUOIMHBPICAU-WOJBJXKFSA-N 0 3 421.563 2.191 20 0 HEADHN CNC(=O)c1cc(C)ccc1NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C ZINC000741199104 1076414507 /nfs/dbraw/zinc/41/45/07/1076414507.db2.gz OHWNETRDQDVRNJ-UHFFFAOYSA-N 0 3 418.501 2.484 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CCO1 ZINC000741268138 1076437963 /nfs/dbraw/zinc/43/79/63/1076437963.db2.gz DNKCYENEBGBHGF-OALUTQOASA-N 0 3 407.511 2.052 20 0 HEADHN COC(=O)CN1CCN(c2ccc(NC(=O)c3cccc(CN(C)C)c3)cc2)CC1 ZINC000741282336 1076454592 /nfs/dbraw/zinc/45/45/92/1076454592.db2.gz KUJOEMFYDWURSY-UHFFFAOYSA-N 0 3 410.518 2.296 20 0 HEADHN CCOC(=O)C1CCN(C(=O)COC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000741327703 1076478144 /nfs/dbraw/zinc/47/81/44/1076478144.db2.gz BHGVOPQJMZZGRP-UHFFFAOYSA-N 0 3 416.518 2.244 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000741331634 1076479473 /nfs/dbraw/zinc/47/94/73/1076479473.db2.gz VBTVJBOJWMVNNK-KRWDZBQOSA-N 0 3 414.462 2.315 20 0 HEADHN O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000741410610 1076513496 /nfs/dbraw/zinc/51/34/96/1076513496.db2.gz KQPKEIXCTBEBPG-HSZRJFAPSA-N 0 3 405.502 2.309 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc(CN2CCOC2=O)cc1 ZINC000741391766 1076519059 /nfs/dbraw/zinc/51/90/59/1076519059.db2.gz NPBYSIQZDFDMJJ-HSZRJFAPSA-N 0 3 424.501 2.397 20 0 HEADHN CN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[C@H]1CCCN(C)C1 ZINC000741626530 1076570518 /nfs/dbraw/zinc/57/05/18/1076570518.db2.gz YRNLUHLUVSKGDM-GRFAERAESA-N 0 3 405.564 2.252 20 0 HEADHN CN(C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)[C@@H]1CCCN(C)C1 ZINC000741719676 1076592495 /nfs/dbraw/zinc/59/24/95/1076592495.db2.gz NOSJWFVQPZJBNH-QGZVFWFLSA-N 0 3 412.515 2.414 20 0 HEADHN CCN1CCN(C(=O)CC2CCN(C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)CC1 ZINC000741783480 1076625805 /nfs/dbraw/zinc/62/58/05/1076625805.db2.gz AXRXSPSBAFHZQY-OAQYLSRUSA-N 0 3 414.550 2.278 20 0 HEADHN C[C@H]1CN=C(N2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)CC2)S1 ZINC000742192189 1076782481 /nfs/dbraw/zinc/78/24/81/1076782481.db2.gz XEAOJVDQWKXPTN-IBGZPJMESA-N 0 3 415.607 2.224 20 0 HEADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742303854 1076812784 /nfs/dbraw/zinc/81/27/84/1076812784.db2.gz BLDKGKGIQAXJCX-YZGWKJHDSA-N 0 3 423.579 2.389 20 0 HEADHN CN1CCC[C@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293462 1076819854 /nfs/dbraw/zinc/81/98/54/1076819854.db2.gz IDDNMTLYGVIJQO-RTBURBONSA-N 0 3 409.552 2.049 20 0 HEADHN CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000742398672 1076834430 /nfs/dbraw/zinc/83/44/30/1076834430.db2.gz ZWYSWBOKQDYMOQ-LJQANCHMSA-N 0 3 405.520 2.210 20 0 HEADHN CON(C)S(=O)(=O)c1cc(C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1Cl ZINC000742401820 1076837921 /nfs/dbraw/zinc/83/79/21/1076837921.db2.gz VFNPKCMAFHPGMG-AWEZNQCLSA-N 0 3 417.959 2.372 20 0 HEADHN O=C(Nc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1)OCC(F)(F)F ZINC000742599479 1076855023 /nfs/dbraw/zinc/85/50/23/1076855023.db2.gz WAOGMCKXVFYTJY-GJZGRUSLSA-N 0 3 401.385 2.390 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000742669797 1076862994 /nfs/dbraw/zinc/86/29/94/1076862994.db2.gz BVBXIZKOYFOFLW-INIZCTEOSA-N 0 3 408.543 2.308 20 0 HEADHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000743048629 1076937847 /nfs/dbraw/zinc/93/78/47/1076937847.db2.gz BROLMAORKNWRDM-KRWDZBQOSA-N 0 3 400.500 2.500 20 0 HEADHN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000743049060 1076938502 /nfs/dbraw/zinc/93/85/02/1076938502.db2.gz LMZUODOTWUSYEH-QGZVFWFLSA-N 0 3 420.535 2.037 20 0 HEADHN CCOC(=O)N1CCC(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000743049661 1076938683 /nfs/dbraw/zinc/93/86/83/1076938683.db2.gz RZPBPBRXWBCESQ-IBGZPJMESA-N 0 3 423.579 2.391 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NCCS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000743318952 1077027982 /nfs/dbraw/zinc/02/79/82/1077027982.db2.gz GLWMQDSKLOBITO-UHFFFAOYSA-N 0 3 415.559 2.173 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N(C)[C@H]3CCN(CC(F)(F)F)C3=O)cc2)CC1 ZINC000743403949 1077043826 /nfs/dbraw/zinc/04/38/26/1077043826.db2.gz YJWFIIQSUSMLRO-KRWDZBQOSA-N 0 3 412.456 2.064 20 0 HEADHN Cc1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)N(C)C)cc1 ZINC000743414037 1077049040 /nfs/dbraw/zinc/04/90/40/1077049040.db2.gz PVSMXNALKMGWAO-QFIPXVFZSA-N 0 3 423.561 2.104 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@@](C)(O)c2ccco2)[C@H](c2ccccc2)C1 ZINC000743548263 1077066873 /nfs/dbraw/zinc/06/68/73/1077066873.db2.gz JNAZUMONGOHYKL-SIKLNZKXSA-N 0 3 400.523 2.165 20 0 HEADHN C[C@](O)(CNC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccco1 ZINC000743557883 1077068654 /nfs/dbraw/zinc/06/86/54/1077068654.db2.gz PMPJSIWLUHAQQX-QFIPXVFZSA-N 0 3 400.523 2.389 20 0 HEADHN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000743593735 1077077938 /nfs/dbraw/zinc/07/79/38/1077077938.db2.gz HEVYTBCCCMHYCQ-CHWSQXEVSA-N 0 3 422.835 2.295 20 0 HEADHN C[NH+]1CCC(CNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)(N2CCCCC2)CC1 ZINC000743716683 1077095908 /nfs/dbraw/zinc/09/59/08/1077095908.db2.gz KFIZDWYCJQBLNO-UHFFFAOYSA-N 0 3 415.563 2.304 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000743885752 1077177712 /nfs/dbraw/zinc/17/77/12/1077177712.db2.gz ZVSMXGDLNSPHJL-HZPDHXFCSA-N 0 3 402.495 2.269 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000743914340 1077192395 /nfs/dbraw/zinc/19/23/95/1077192395.db2.gz NTPVBCDVRFXABK-YADHBBJMSA-N 0 3 423.513 2.321 20 0 HEADHN Cc1c(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@@H]2C)cccc1N1CCOC1=O ZINC000743905592 1077218093 /nfs/dbraw/zinc/21/80/93/1077218093.db2.gz AMVHGWJMZQPFNI-GASCZTMLSA-N 0 3 402.495 2.269 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3cccc(CN(C)C)c3)C2=O)cc1 ZINC000743957042 1077265804 /nfs/dbraw/zinc/26/58/04/1077265804.db2.gz QKIODNUSVKQPBB-HXUWFJFHSA-N 0 3 408.502 2.307 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000743972083 1077275844 /nfs/dbraw/zinc/27/58/44/1077275844.db2.gz IZRUJQOJUXEZPO-QFIPXVFZSA-N 0 3 422.529 2.195 20 0 HEADHN CN(C)Cc1cccc(NC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000743948018 1077278213 /nfs/dbraw/zinc/27/82/13/1077278213.db2.gz DBVXXOSEAAMWBT-UHFFFAOYSA-N 0 3 404.511 2.202 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000743978338 1077291639 /nfs/dbraw/zinc/29/16/39/1077291639.db2.gz GHWVVQXHCXYHOC-IRXDYDNUSA-N 0 3 400.523 2.240 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000743980301 1077293591 /nfs/dbraw/zinc/29/35/91/1077293591.db2.gz YRHCVOFVYFLXHC-MRXNPFEDSA-N 0 3 415.563 2.314 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1OCc1cccnc1 ZINC000743981801 1077293927 /nfs/dbraw/zinc/29/39/27/1077293927.db2.gz RXXBMOBISMTXDR-MRXNPFEDSA-N 0 3 412.490 2.208 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000743982832 1077295265 /nfs/dbraw/zinc/29/52/65/1077295265.db2.gz QTRAYSMLCHGDOB-AWEZNQCLSA-N 0 3 406.914 2.115 20 0 HEADHN Cc1c(C(=O)NCCN2CCC[C@@H]2C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744346288 1077367902 /nfs/dbraw/zinc/36/79/02/1077367902.db2.gz XZNFSJNWOPKVOY-HNNXBMFYSA-N 0 3 420.558 2.373 20 0 HEADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)Nc1ccc(Br)nc1 ZINC000766308104 1077368612 /nfs/dbraw/zinc/36/86/12/1077368612.db2.gz FDEIVWAXUCLBTJ-UHFFFAOYSA-N 0 3 417.307 2.347 20 0 HEADHN COC(=O)CCN(CCN1c2cccc3cccc(c23)S1(=O)=O)C1CCOCC1 ZINC000744426383 1077389303 /nfs/dbraw/zinc/38/93/03/1077389303.db2.gz IMDJIUWLFRMJPW-UHFFFAOYSA-N 0 3 418.515 2.393 20 0 HEADHN COC(=O)C1=NOC2(C1)CCN(Cc1cc(=O)oc3cc(NC(C)=O)ccc13)CC2 ZINC000771785060 1079505526 /nfs/dbraw/zinc/50/55/26/1079505526.db2.gz NDZHXZNDBHSPPB-UHFFFAOYSA-N 0 3 413.430 2.035 20 0 HEADHN CN(C)[C@H](CNC(=O)CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761373 1079514586 /nfs/dbraw/zinc/51/45/86/1079514586.db2.gz LBJVMVXRSLIEQH-RBUKOAKNSA-N 0 3 404.555 2.347 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000771762065 1079515637 /nfs/dbraw/zinc/51/56/37/1079515637.db2.gz DZPSSMRQSQLETH-XUVXKRRUSA-N 0 3 417.575 2.292 20 0 HEADHN CCN1CCN(c2ccc(N3C(=O)N[C@@H](c4ccc(OC)c(O)c4)C3=O)cc2)CC1 ZINC000771826199 1079549232 /nfs/dbraw/zinc/54/92/32/1079549232.db2.gz FDHYSFWCUJRMKG-FQEVSTJZSA-N 0 3 410.474 2.340 20 0 HEADHN CCO[C@H]1C[C@]2(NC(=O)N(c3ccc(N4CCN(CC)CC4)cc3)C2=O)C1(C)C ZINC000771828932 1079551072 /nfs/dbraw/zinc/55/10/72/1079551072.db2.gz SWQNWDGJZPBXDB-PGRDOPGGSA-N 0 3 400.523 2.459 20 0 HEADHN C[C@H](CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001156993779 1079630576 /nfs/dbraw/zinc/63/05/76/1079630576.db2.gz WTMUAWKQALLENU-AKHDSKFASA-N 0 3 409.571 2.327 20 0 HEADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767081516 1079653255 /nfs/dbraw/zinc/65/32/55/1079653255.db2.gz QQECFAHURKGQIK-ZDUSSCGKSA-N 0 3 409.383 2.425 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@@H]3CN4CCN3CC4)C2=O)cc1C ZINC000746522008 1079657567 /nfs/dbraw/zinc/65/75/67/1079657567.db2.gz JFASNFIITABBRX-QKYYUXOMSA-N 0 3 416.525 2.421 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000767095388 1079675323 /nfs/dbraw/zinc/67/53/23/1079675323.db2.gz HDUZIGLFGSAHHM-MOPGFXCFSA-N 0 3 412.534 2.381 20 0 HEADHN Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1S(=O)(=O)NC(C)(C)C ZINC000772061390 1079680285 /nfs/dbraw/zinc/68/02/85/1079680285.db2.gz XESFWGRLKVNROB-LLVKDONJSA-N 0 3 407.414 2.449 20 0 HEADHN CN1CC[C@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)[C@@H]1c1ccccc1 ZINC000772028845 1079687035 /nfs/dbraw/zinc/68/70/35/1079687035.db2.gz DYMNCIWCGSTRNH-FPOVZHCZSA-N 0 3 423.517 2.179 20 0 HEADHN Cc1c(-c2cc(CONC(=N)[C@@H]3CN(Cc4ccccc4)CCO3)on2)cnn1C ZINC000767137466 1079699422 /nfs/dbraw/zinc/69/94/22/1079699422.db2.gz MHQHYCJFVBQKJW-FQEVSTJZSA-N 0 3 410.478 2.283 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(I)c(F)cc1F ZINC000772068796 1079706972 /nfs/dbraw/zinc/70/69/72/1079706972.db2.gz CCNDQQVUMWCSIG-VHSXEESVSA-N 0 3 422.213 2.162 20 0 HEADHN NC(=O)c1cc(OC2CCN(C[C@H](O)COCc3ccccc3Cl)CC2)ccn1 ZINC000772336296 1079829834 /nfs/dbraw/zinc/82/98/34/1079829834.db2.gz MYVMGPSWGCAYOB-INIZCTEOSA-N 0 3 419.909 2.255 20 0 HEADHN O=S1(=O)CCC(O)(CN(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)CC1 ZINC000767460087 1079884155 /nfs/dbraw/zinc/88/41/55/1079884155.db2.gz MEXABOPKYVWVCL-QHCPKHFHSA-N 0 3 415.555 2.262 20 0 HEADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000772581931 1079942091 /nfs/dbraw/zinc/94/20/91/1079942091.db2.gz WFWSJIARJPSSEI-LJQANCHMSA-N 0 3 407.580 2.488 20 0 HEADHN Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000772595687 1080000612 /nfs/dbraw/zinc/00/06/12/1080000612.db2.gz XWAOKEIMXQQLQG-SFHVURJKSA-N 0 3 421.611 2.237 20 0 HEADHN COCCN1CCC(NC(=O)N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772604032 1080004349 /nfs/dbraw/zinc/00/43/49/1080004349.db2.gz RKQJWPMXKDOEBU-GOSISDBHSA-N 0 3 410.559 2.281 20 0 HEADHN C[C@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000772605378 1080004595 /nfs/dbraw/zinc/00/45/95/1080004595.db2.gz QKGGEIFTPVVHNQ-MJGOQNOKSA-N 0 3 423.602 2.053 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@H](O)c2ccc(F)cc2)CC1 ZINC000767779152 1080085268 /nfs/dbraw/zinc/08/52/68/1080085268.db2.gz JCERSUQMIFFFOP-QFIPXVFZSA-N 0 3 414.525 2.496 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N(CCOC)Cc3ccnn3C)cc2)CC1 ZINC000785644683 1080093167 /nfs/dbraw/zinc/09/31/67/1080093167.db2.gz XUPDAWXCYZALLO-UHFFFAOYSA-N 0 3 400.527 2.243 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](Cc2c(F)cccc2F)C(C)=O)CC1=O ZINC000785650140 1080098523 /nfs/dbraw/zinc/09/85/23/1080098523.db2.gz QEGLBPSTFGAUGY-QINHECLXSA-N 0 3 422.472 2.341 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2ccc(SC)cc2)CC1=O ZINC000785652407 1080103471 /nfs/dbraw/zinc/10/34/71/1080103471.db2.gz MMFPGPPFGIKSDU-DLBZAZTESA-N 0 3 404.532 2.467 20 0 HEADHN Cc1c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)nnn1Cc1ccc(F)cc1 ZINC000767921501 1080216709 /nfs/dbraw/zinc/21/67/09/1080216709.db2.gz IVEAQPKCKLRVFP-LJQANCHMSA-N 0 3 401.486 2.147 20 0 HEADHN O=C(OCCn1cnc2ccccc2c1=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785708700 1080217589 /nfs/dbraw/zinc/21/75/89/1080217589.db2.gz DOBQFAVXRRNEKN-UHFFFAOYSA-N 0 3 421.497 2.458 20 0 HEADHN CC(C)[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000785710825 1080219658 /nfs/dbraw/zinc/21/96/58/1080219658.db2.gz ZJKANIDWOAZGNY-PMACEKPBSA-N 0 3 415.534 2.188 20 0 HEADHN O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712425 1080220411 /nfs/dbraw/zinc/22/04/11/1080220411.db2.gz MRSLYWYGFGJBAW-UHFFFAOYSA-N 0 3 422.481 2.344 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000785714218 1080222140 /nfs/dbraw/zinc/22/21/40/1080222140.db2.gz ODPOCGMNKYOJFG-INIZCTEOSA-N 0 3 402.495 2.356 20 0 HEADHN CC1(C)CCCN(CCNC(=O)c2ccc(-n3cc(Br)cn3)nn2)C1 ZINC000768121746 1080336300 /nfs/dbraw/zinc/33/63/00/1080336300.db2.gz QCQGAIZIQDFKRE-UHFFFAOYSA-N 0 3 407.316 2.277 20 0 HEADHN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(C2CCOCC2)C[C@H]1C ZINC000785992587 1080353101 /nfs/dbraw/zinc/35/31/01/1080353101.db2.gz JOGAXKXQOKQEQM-RTBURBONSA-N 0 3 416.566 2.035 20 0 HEADHN Cn1ccnc1[C@H]1CCCN(C(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000768154506 1080373681 /nfs/dbraw/zinc/37/36/81/1080373681.db2.gz PNYAOVDFMMTPND-AWEZNQCLSA-N 0 3 414.510 2.456 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000768174190 1080386212 /nfs/dbraw/zinc/38/62/12/1080386212.db2.gz NEYQTDOFIKSBNM-KRWDZBQOSA-N 0 3 424.549 2.134 20 0 HEADHN C[C@@H]1C[C@@H](N(C)C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CCN1C ZINC000768175046 1080386941 /nfs/dbraw/zinc/38/69/41/1080386941.db2.gz HRNBJJGKFWTTOG-QCLGFWRNSA-N 0 3 407.555 2.390 20 0 HEADHN CN(CCN1CCN(C(=O)[C@]2(O)CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000786098722 1080393463 /nfs/dbraw/zinc/39/34/63/1080393463.db2.gz ITABSQGANBQRQR-VWLOTQADSA-N 0 3 407.558 2.183 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC000768196114 1080413209 /nfs/dbraw/zinc/41/32/09/1080413209.db2.gz FTPCTELRJNCVEL-NRFANRHFSA-N 0 3 416.566 2.309 20 0 HEADHN C[C@H](N[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)NCc1ccco1 ZINC000768217488 1080420768 /nfs/dbraw/zinc/42/07/68/1080420768.db2.gz MLCKFWDVQLDNTP-ABSDTBQOSA-N 0 3 415.490 2.300 20 0 HEADHN CCOC(=O)c1ccc(Br)c(S(=O)(=O)NC2(CN(C)C)CCC2)c1 ZINC000798470786 1080426967 /nfs/dbraw/zinc/42/69/67/1080426967.db2.gz MOAKQXVYHVLGRS-UHFFFAOYSA-N 0 3 419.341 2.388 20 0 HEADHN COc1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)ccc1OC(=O)C1CC1 ZINC000768233888 1080434368 /nfs/dbraw/zinc/43/43/68/1080434368.db2.gz APUVTJAQVWYFQO-SFHVURJKSA-N 0 3 402.491 2.081 20 0 HEADHN CC(C)(C)OC(=O)NCc1cc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)ccn1 ZINC000768252533 1080442507 /nfs/dbraw/zinc/44/25/07/1080442507.db2.gz AMIPSKXOMPDASD-GOSISDBHSA-N 0 3 404.511 2.089 20 0 HEADHN CC(C)(C)OC(=O)N1CCC(CCN2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000768291009 1080461410 /nfs/dbraw/zinc/46/14/10/1080461410.db2.gz NFZIKPRRYQRHDX-UHFFFAOYSA-N 0 3 417.554 2.340 20 0 HEADHN Cc1c(C(=O)NC[C@@H](O)c2cccc(C)c2)nnn1-c1cccc2c1CCN(C)C2 ZINC000768308481 1080477930 /nfs/dbraw/zinc/47/79/30/1080477930.db2.gz SKVROVAJHAAFEL-OAQYLSRUSA-N 0 3 405.502 2.335 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000768368906 1080517699 /nfs/dbraw/zinc/51/76/99/1080517699.db2.gz VFWHTTQONNQDQN-OFNKIYASSA-N 0 3 414.550 2.088 20 0 HEADHN Cc1cccc(C2(O)CCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)c1C ZINC000768372426 1080521035 /nfs/dbraw/zinc/52/10/35/1080521035.db2.gz XUXLVQKPBVJMOO-SFHVURJKSA-N 0 3 402.583 2.180 20 0 HEADHN Cc1cccc(C2(O)CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)c1C ZINC000768372419 1080521204 /nfs/dbraw/zinc/52/12/04/1080521204.db2.gz XUXLVQKPBVJMOO-GOSISDBHSA-N 0 3 402.583 2.180 20 0 HEADHN C[C@H]1C[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC000768398284 1080524641 /nfs/dbraw/zinc/52/46/41/1080524641.db2.gz MQFDSXARYRXJBD-HKUYNNGSSA-N 0 3 420.554 2.178 20 0 HEADHN C[C@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000768765396 1080753150 /nfs/dbraw/zinc/75/31/50/1080753150.db2.gz DMRFHEQMRNRXJY-WMZHIEFXSA-N 0 3 408.546 2.260 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)cc2)CC1 ZINC000768739038 1080763353 /nfs/dbraw/zinc/76/33/53/1080763353.db2.gz PSGASIKBZVLAJT-ZRBLBEILSA-N 0 3 418.541 2.469 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000768750717 1080772850 /nfs/dbraw/zinc/77/28/50/1080772850.db2.gz XMGHPUHSCNYUIV-IBGZPJMESA-N 0 3 414.550 2.375 20 0 HEADHN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772689827 1080838055 /nfs/dbraw/zinc/83/80/55/1080838055.db2.gz HUWRMKWQMCZCHB-CQSZACIVSA-N 0 3 412.533 2.463 20 0 HEADHN CN(C)C(=O)c1cccc(NC(=O)COC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786820916 1080844984 /nfs/dbraw/zinc/84/49/84/1080844984.db2.gz IEAVGCPQQOTCRE-UHFFFAOYSA-N 0 3 409.486 2.319 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)CCN2CCc3ccccc3C2)C1 ZINC000786824163 1080845865 /nfs/dbraw/zinc/84/58/65/1080845865.db2.gz DWTYIAOCFAXIAN-FXAWDEMLSA-N 0 3 416.518 2.168 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000769000045 1080895833 /nfs/dbraw/zinc/89/58/33/1080895833.db2.gz ALPOUEDIKSKTDS-STQMWFEESA-N 0 3 410.400 2.271 20 0 HEADHN COc1cc(N[C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)cc(OC)c1 ZINC000769098466 1080907709 /nfs/dbraw/zinc/90/77/09/1080907709.db2.gz LUJPPHDFYQWMMO-PLMTUMEDSA-N 0 3 418.538 2.153 20 0 HEADHN O=C(NCc1nnc(-c2ccccc2)[nH]1)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000769121770 1080942768 /nfs/dbraw/zinc/94/27/68/1080942768.db2.gz TWWSMQPQSZNUMK-PMACEKPBSA-N 0 3 420.517 2.154 20 0 HEADHN CN(C)c1ncc(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)s1 ZINC000769192738 1080966191 /nfs/dbraw/zinc/96/61/91/1080966191.db2.gz YZDSGGUJQQLIBV-CQSZACIVSA-N 0 3 411.572 2.062 20 0 HEADHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000769313393 1081039457 /nfs/dbraw/zinc/03/94/57/1081039457.db2.gz NJXRBHVBTTVMMX-KRWDZBQOSA-N 0 3 418.586 2.354 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000769335613 1081046242 /nfs/dbraw/zinc/04/62/42/1081046242.db2.gz VFPVUMFPDWYJJZ-UHFFFAOYSA-N 0 3 418.517 2.391 20 0 HEADHN C[C@@H](NC1(CNS(=O)(=O)c2cnc(Cl)n2C)CCOCC1)c1ccccc1 ZINC000769421464 1081068333 /nfs/dbraw/zinc/06/83/33/1081068333.db2.gz UIVIJDWBIONHKD-CQSZACIVSA-N 0 3 412.943 2.252 20 0 HEADHN CCCn1c(=O)cc(Nc2cccc3cc([C@H]4CNCCO4)cn32)n(CCC)c1=O ZINC001170006557 1081079025 /nfs/dbraw/zinc/07/90/25/1081079025.db2.gz INNAHJFGDOGLQY-GOSISDBHSA-N 0 3 411.506 2.487 20 0 HEADHN CCOC(=O)C1CCN(C2CCN(c3ncc(Cl)nc3C(=O)OC)CC2)CC1 ZINC001164617352 719027308 /nfs/dbraw/zinc/02/73/08/719027308.db2.gz KFXHSRUNAFIFQF-UHFFFAOYSA-N 0 3 410.902 2.161 20 0 HEADHN O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ncccc1CN1CCCC1)N1CCCC1 ZINC001164710917 720087226 /nfs/dbraw/zinc/08/72/26/720087226.db2.gz KIQOYJAJBSJADY-KCZVDYSFSA-N 0 3 414.550 2.053 20 0 HEADHN COC[C@H]1CN(CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164815993 720157082 /nfs/dbraw/zinc/15/70/82/720157082.db2.gz JPSOTIMZDSMGSD-BEFAXECRSA-N 0 3 413.971 2.323 20 0 HEADHN CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164734760 720422704 /nfs/dbraw/zinc/42/27/04/720422704.db2.gz UEHJROMYPDVECX-ZWKOTPCHSA-N 0 3 406.490 2.393 20 0 HEADHN CC(C)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(S(C)(=O)=O)cn3)CC[C@@H]21 ZINC001164835640 720591580 /nfs/dbraw/zinc/59/15/80/720591580.db2.gz CCTOTUAOCMXOAK-LNLFQRSKSA-N 0 3 403.552 2.059 20 0 HEADHN COc1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164740232 720603115 /nfs/dbraw/zinc/60/31/15/720603115.db2.gz HWJCAUMPDPUSLZ-ZFWWWQNUSA-N 0 3 412.881 2.424 20 0 HEADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738243 720609380 /nfs/dbraw/zinc/60/93/80/720609380.db2.gz BDBYEAVOUUDPKY-QWRGUYRKSA-N 0 3 406.277 2.397 20 0 HEADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2n1 ZINC001164742547 720708931 /nfs/dbraw/zinc/70/89/31/720708931.db2.gz VNMLAPCNVWZZLM-KGLIPLIRSA-N 0 3 412.881 2.424 20 0 HEADHN COc1cccc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164742209 720731563 /nfs/dbraw/zinc/73/15/63/720731563.db2.gz NQZBLJTUCMXBJL-MJGOQNOKSA-N 0 3 404.474 2.284 20 0 HEADHN CN1CCc2nc(Cl)nc(N3CCCn4cnc(CNC5CCC5)c4C3)c2C1 ZINC001164844747 720740500 /nfs/dbraw/zinc/74/05/00/720740500.db2.gz SZKUGVAUPMITRT-UHFFFAOYSA-N 0 3 401.946 2.367 20 0 HEADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164748294 720785998 /nfs/dbraw/zinc/78/59/98/720785998.db2.gz QJCOLTNGEFRUKB-RTBURBONSA-N 0 3 403.490 2.287 20 0 HEADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164749908 720786538 /nfs/dbraw/zinc/78/65/38/720786538.db2.gz USRBTRMVZNLIEO-ROUUACIJSA-N 0 3 403.490 2.287 20 0 HEADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)s1 ZINC001164746041 720794435 /nfs/dbraw/zinc/79/44/35/720794435.db2.gz LLKRKGUVFVLIEI-HZPDHXFCSA-N 0 3 409.519 2.349 20 0 HEADHN O=C(c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCCC1 ZINC001164869237 721043142 /nfs/dbraw/zinc/04/31/42/721043142.db2.gz SQAWFPCYHXUWBI-UXHICEINSA-N 0 3 407.518 2.192 20 0 HEADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870942 721045569 /nfs/dbraw/zinc/04/55/69/721045569.db2.gz XNFZDGMEQDOYEN-HZPDHXFCSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866258 721052074 /nfs/dbraw/zinc/05/20/74/721052074.db2.gz DIJAERXGGPGNEN-IAGOWNOFSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164867404 721058980 /nfs/dbraw/zinc/05/89/80/721058980.db2.gz ISPWBXRNKNHBHK-UXHICEINSA-N 0 3 419.485 2.291 20 0 HEADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CCN3C2)c1 ZINC001164866817 721059766 /nfs/dbraw/zinc/05/97/66/721059766.db2.gz FXGUZNWPCULWCR-ZWKOTPCHSA-N 0 3 419.485 2.276 20 0 HEADHN CCOC(=O)c1nc2ccccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164763552 721083201 /nfs/dbraw/zinc/08/32/01/721083201.db2.gz FWHYOOPCMPXLBS-ROUUACIJSA-N 0 3 420.517 2.498 20 0 HEADHN COC(=O)CSc1cccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164771895 721180210 /nfs/dbraw/zinc/18/02/10/721180210.db2.gz RUBKIIAXLFOJQO-IAGOWNOFSA-N 0 3 401.536 2.039 20 0 HEADHN Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164866706 721200266 /nfs/dbraw/zinc/20/02/66/721200266.db2.gz CFKZKRQVWGTZRJ-UHFFFAOYSA-N 0 3 419.533 2.163 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3OCC[C@@H]3[C@@H](C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164881633 721304883 /nfs/dbraw/zinc/30/48/83/721304883.db2.gz WZCSMLHQEYUMSD-FSSWDIPSSA-N 0 3 421.545 2.229 20 0 HEADHN Cc1nc2cnc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)nc2[nH]1 ZINC001164787090 721360823 /nfs/dbraw/zinc/36/08/23/721360823.db2.gz YWRQEEBAYURSHP-OAQYLSRUSA-N 0 3 411.510 2.337 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890359 721420588 /nfs/dbraw/zinc/42/05/88/721420588.db2.gz SFJKTDVITCOQLZ-MGPUTAFESA-N 0 3 404.946 2.377 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccnc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164888788 721432348 /nfs/dbraw/zinc/43/23/48/721432348.db2.gz AVVWDOZLRKJZHD-REWPJTCUSA-N 0 3 414.598 2.232 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(N5CCCCC5)ncn4)C3)O2)CC1 ZINC001164891599 721433233 /nfs/dbraw/zinc/43/32/33/721433233.db2.gz HHLAOMLFRYIVPT-NFBKMPQASA-N 0 3 414.598 2.232 20 0 HEADHN COC(=O)c1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902077 721512312 /nfs/dbraw/zinc/51/23/12/721512312.db2.gz YYYJAFVAPOQEGO-HIFRSBDPSA-N 0 3 406.845 2.398 20 0 HEADHN CCOC(=O)c1cc(C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164896261 721523801 /nfs/dbraw/zinc/52/38/01/721523801.db2.gz AEKVAHYMMYAYCH-FUHWJXTLSA-N 0 3 400.454 2.443 20 0 HEADHN Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912376 721526842 /nfs/dbraw/zinc/52/68/42/721526842.db2.gz ZHYPVIAECWRDES-ZFWWWQNUSA-N 0 3 402.861 2.498 20 0 HEADHN CCOC(=O)c1c(C)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902854 721535494 /nfs/dbraw/zinc/53/54/94/721535494.db2.gz BMGZCUYJSJLALW-WMZOPIPTSA-N 0 3 400.454 2.443 20 0 HEADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902986 721546558 /nfs/dbraw/zinc/54/65/58/721546558.db2.gz BPYCCLMQDJMBGK-IEBWSBKVSA-N 0 3 417.481 2.346 20 0 HEADHN CON(C)C(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910339 721559830 /nfs/dbraw/zinc/55/98/30/721559830.db2.gz WHOQJAOQRMDUEY-MJGOQNOKSA-N 0 3 400.454 2.196 20 0 HEADHN CN(Cc1ccc(N2CC[C@@]3(C[C@H](OCC(=O)N4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164939524 721918926 /nfs/dbraw/zinc/91/89/26/721918926.db2.gz UNOFBBLRAKUNCA-NZQKXSOJSA-N 0 3 414.550 2.053 20 0 HEADHN O=C(CO[C@H]1CO[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)N1CCCC1 ZINC001164937912 721919449 /nfs/dbraw/zinc/91/94/49/721919449.db2.gz HIZGNHLCSLKCIR-OFNKIYASSA-N 0 3 414.550 2.054 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164948726 722001341 /nfs/dbraw/zinc/00/13/41/722001341.db2.gz AWDZWVFZVLZFLR-POAQFYNOSA-N 0 3 413.547 2.300 20 0 HEADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164952285 722002066 /nfs/dbraw/zinc/00/20/66/722002066.db2.gz RBWLVMWNZNRPOS-QRQLOZEOSA-N 0 3 413.547 2.300 20 0 HEADHN CC(=O)N1[C@@H]2CCN(c3ccc(CN(C)C4CC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164968752 722081111 /nfs/dbraw/zinc/08/11/11/722081111.db2.gz DWFKFXGJSZMYTO-BAGYTPMASA-N 0 3 408.550 2.388 20 0 HEADHN CCOC(=O)Cc1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985291 722104686 /nfs/dbraw/zinc/10/46/86/722104686.db2.gz WEVGMSOPVAFJHE-RTWAWAEBSA-N 0 3 410.518 2.310 20 0 HEADHN Cn1c(=O)ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164982030 722119685 /nfs/dbraw/zinc/11/96/85/722119685.db2.gz VTRQDRCLZQFVIY-VQTJNVASSA-N 0 3 405.502 2.056 20 0 HEADHN CCOC(=O)c1ncnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164981517 722124330 /nfs/dbraw/zinc/12/43/30/722124330.db2.gz UIPHCIZCLLEAKA-OALUTQOASA-N 0 3 411.506 2.084 20 0 HEADHN Cc1cn(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cn1 ZINC001164978949 722131665 /nfs/dbraw/zinc/13/16/65/722131665.db2.gz LEBDZPNSKSFLRG-WOJBJXKFSA-N 0 3 405.506 2.093 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)c1 ZINC001164989139 722187254 /nfs/dbraw/zinc/18/72/54/722187254.db2.gz HXJJWSYDFPKTEY-RBBKRZOGSA-N 0 3 414.575 2.325 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000769655482 1078491904 /nfs/dbraw/zinc/49/19/04/1078491904.db2.gz ANJHEVXFLQBPBY-HOTGVXAUSA-N 0 3 414.572 2.023 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000766334955 1078612649 /nfs/dbraw/zinc/61/26/49/1078612649.db2.gz CLRXODWGWHHTKC-CYBMUJFWSA-N 0 3 402.442 2.072 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000766334659 1078615791 /nfs/dbraw/zinc/61/57/91/1078615791.db2.gz YRELUMAYKLQOKA-NRFANRHFSA-N 0 3 408.502 2.039 20 0 HEADHN O=C(CCN1CCC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769894812 1078617219 /nfs/dbraw/zinc/61/72/19/1078617219.db2.gz ANHVBNQIGJRQHT-KXBFYZLASA-N 0 3 415.456 2.487 20 0 HEADHN C[C@@H](CNC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)CN1CCN(C)CC1 ZINC000745781129 1078640773 /nfs/dbraw/zinc/64/07/73/1078640773.db2.gz WSLJEPXEKVMUOL-ROUUACIJSA-N 0 3 401.555 2.057 20 0 HEADHN C[C@H](CNC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)CN1CCN(C)CC1 ZINC000745781126 1078640914 /nfs/dbraw/zinc/64/09/14/1078640914.db2.gz WSLJEPXEKVMUOL-MSOLQXFVSA-N 0 3 401.555 2.057 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)N(CCN(C)C)C[C@H]3CCCO3)C2=O)cc1 ZINC000745879720 1078682848 /nfs/dbraw/zinc/68/28/48/1078682848.db2.gz WBCGGZXMJRBJOA-UXHICEINSA-N 0 3 402.539 2.243 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000770058373 1078686605 /nfs/dbraw/zinc/68/66/05/1078686605.db2.gz XRBQUEHCOQACSD-LJQANCHMSA-N 0 3 408.568 2.260 20 0 HEADHN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[C@H](c1ccccc1)N(C)C ZINC000770046418 1078703089 /nfs/dbraw/zinc/70/30/89/1078703089.db2.gz GMSGGAUOMJWNPI-PNHOKKKMSA-N 0 3 411.481 2.053 20 0 HEADHN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000770047389 1078703472 /nfs/dbraw/zinc/70/34/72/1078703472.db2.gz JDEQDNYCMPXAMI-DNVCBOLYSA-N 0 3 405.520 2.290 20 0 HEADHN Cc1cncc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170013064 1078730966 /nfs/dbraw/zinc/73/09/66/1078730966.db2.gz BTGQGEYFDYGWOL-IRXDYDNUSA-N 0 3 406.552 2.391 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176167 1078748807 /nfs/dbraw/zinc/74/88/07/1078748807.db2.gz ZTRMGOWGSLIRNR-ICSRJNTNSA-N 0 3 418.582 2.265 20 0 HEADHN COC(=O)C[C@@]1(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CCCOC1 ZINC000770164161 1078762611 /nfs/dbraw/zinc/76/26/11/1078762611.db2.gz SEYKLHZXVBLYHL-QFIPXVFZSA-N 0 3 403.523 2.059 20 0 HEADHN O=C(CC1(N2CCOCC2)CCCC1)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000746105851 1078787626 /nfs/dbraw/zinc/78/76/26/1078787626.db2.gz ALUATRGDFOTALQ-UHFFFAOYSA-N 0 3 416.547 2.442 20 0 HEADHN O=C(CCN1CCN(c2ccccc2)CC1)NCCNc1ncnc2sccc21 ZINC000746135359 1078802417 /nfs/dbraw/zinc/80/24/17/1078802417.db2.gz TUSRYNIOMHCROT-UHFFFAOYSA-N 0 3 410.547 2.432 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[C@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000770288540 1078809249 /nfs/dbraw/zinc/80/92/49/1078809249.db2.gz AZTZCAJKYZKZPA-NQIIRXRSSA-N 0 3 416.566 2.215 20 0 HEADHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000770362827 1078830890 /nfs/dbraw/zinc/83/08/90/1078830890.db2.gz NWCUQTJOFPZDHA-DLBZAZTESA-N 0 3 403.527 2.029 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N[C@H](CO)c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170014166 1078835250 /nfs/dbraw/zinc/83/52/50/1078835250.db2.gz MZTWVEMLNNLTEP-KURKYZTESA-N 0 3 421.563 2.221 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N[C@H](CO)c2ccccc2)C[C@H]1C(=O)N1CCSC1 ZINC001170014165 1078835301 /nfs/dbraw/zinc/83/53/01/1078835301.db2.gz MZTWVEMLNNLTEP-KSZLIROESA-N 0 3 421.563 2.221 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000770345512 1078837771 /nfs/dbraw/zinc/83/77/71/1078837771.db2.gz NZDVXXASGJFFOU-ROUUACIJSA-N 0 3 421.611 2.237 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCN(C4=NC[C@H](C)S4)CC3)cc2)CC1 ZINC000746302802 1078847883 /nfs/dbraw/zinc/84/78/83/1078847883.db2.gz FXYYLUCJNNDYTL-KRWDZBQOSA-N 0 3 401.580 2.078 20 0 HEADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000045570639 1078863140 /nfs/dbraw/zinc/86/31/40/1078863140.db2.gz GNCBIHBVLRNWOA-FQEVSTJZSA-N 0 3 406.486 2.305 20 0 HEADHN Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000766344574 1078870721 /nfs/dbraw/zinc/87/07/21/1078870721.db2.gz AAURQAXOUVGKQZ-QGZVFWFLSA-N 0 3 400.454 2.168 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000770592145 1078899894 /nfs/dbraw/zinc/89/98/94/1078899894.db2.gz BGSZWXYWIPRDDW-GUYCJALGSA-N 0 3 403.354 2.352 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000770595818 1078901002 /nfs/dbraw/zinc/90/10/02/1078901002.db2.gz OLWKKKWBCYTOSB-UWJYYQICSA-N 0 3 406.546 2.307 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000770607285 1078913688 /nfs/dbraw/zinc/91/36/88/1078913688.db2.gz PLXDQNXMQZURRF-SQNIBIBYSA-N 0 3 411.591 2.052 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770625945 1078920990 /nfs/dbraw/zinc/92/09/90/1078920990.db2.gz NUUPUISHTCICDE-AZUAARDMSA-N 0 3 401.507 2.015 20 0 HEADHN COCCN1CCC[C@H]1CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766378224 1078927906 /nfs/dbraw/zinc/92/79/06/1078927906.db2.gz QFHLQAYSKROCQC-PMACEKPBSA-N 0 3 403.523 2.262 20 0 HEADHN CNC(=O)c1nn(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c(=O)c2ccccc21 ZINC000766373257 1078941044 /nfs/dbraw/zinc/94/10/44/1078941044.db2.gz FPJPODADPQJHHP-ROUUACIJSA-N 0 3 419.529 2.308 20 0 HEADHN O=C(NCC1(O)CCC2(CC1)OCCO2)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000746440102 1078950389 /nfs/dbraw/zinc/95/03/89/1078950389.db2.gz CBRULHSXQGVYSD-GOSISDBHSA-N 0 3 406.498 2.202 20 0 HEADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nncn3C(C)C)C2)cc1 ZINC000746452351 1078981955 /nfs/dbraw/zinc/98/19/55/1078981955.db2.gz STXHTGRUJOYHFR-MSOLQXFVSA-N 0 3 402.495 2.265 20 0 HEADHN Cc1[nH]nc(Br)c1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001168790964 1078988916 /nfs/dbraw/zinc/98/89/16/1078988916.db2.gz APEIOGOCFOWOGO-SFHVURJKSA-N 0 3 407.312 2.190 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)N[C@H](CO)C[C@H](O)c3ccccc3)CC2)c1 ZINC000770859587 1079042334 /nfs/dbraw/zinc/04/23/34/1079042334.db2.gz VJGLBBJDKNYTGY-GMAHTHKFSA-N 0 3 411.546 2.108 20 0 HEADHN C[C@@H]1C[C@H](N2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168843923 1079051303 /nfs/dbraw/zinc/05/13/03/1079051303.db2.gz AUMRZHMPZMAIGK-ICBNADEASA-N 0 3 423.554 2.418 20 0 HEADHN C[C@@H]1C[C@H](N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168860602 1079055626 /nfs/dbraw/zinc/05/56/26/1079055626.db2.gz VZWORMLBADCAQY-VSZNYVQBSA-N 0 3 403.527 2.012 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(c4cc(C)nc(C)n4)CC3)CC2=O)cc1 ZINC001168938374 1079079660 /nfs/dbraw/zinc/07/96/60/1079079660.db2.gz BOQXFPVEBXWGPP-FQEVSTJZSA-N 0 3 409.534 2.415 20 0 HEADHN COc1ccc(CN2CC[C@@H](NCc3cccc(N4CCOCC4=O)c3)CC2=O)cc1 ZINC001168913442 1079074300 /nfs/dbraw/zinc/07/43/00/1079074300.db2.gz GIOAQAZPERWGDU-HXUWFJFHSA-N 0 3 423.513 2.339 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(c4cc(OC)ccn4)CC3)CC2=O)cc1 ZINC001168955538 1079090917 /nfs/dbraw/zinc/09/09/17/1079090917.db2.gz QFVMMKOLBDKZCA-IBGZPJMESA-N 0 3 410.518 2.412 20 0 HEADHN Cc1ccc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)n1C ZINC001170021115 1079115588 /nfs/dbraw/zinc/11/55/88/1079115588.db2.gz VCJOQJZVSGJRGL-WBVHZDCISA-N 0 3 408.568 2.334 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N[C@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072628 1079124191 /nfs/dbraw/zinc/12/41/91/1079124191.db2.gz LSZMILFEUVPIMS-JFIYKMOQSA-N 0 3 420.506 2.079 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000766601955 1079149580 /nfs/dbraw/zinc/14/95/80/1079149580.db2.gz KKKNWYHGVVGREJ-NRFANRHFSA-N 0 3 420.513 2.057 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCCC1)C(C)C ZINC000771190955 1079215176 /nfs/dbraw/zinc/21/51/76/1079215176.db2.gz OPTDXQTWGINGEG-QGZVFWFLSA-N 0 3 402.539 2.486 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CO1 ZINC001169383741 1079254025 /nfs/dbraw/zinc/25/40/25/1079254025.db2.gz BNNFOQMYUFSMNN-BPBCIEFSSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376913 1079246423 /nfs/dbraw/zinc/24/64/23/1079246423.db2.gz ZISNRHRGRHIQJM-DLBZAZTESA-N 0 3 412.527 2.199 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CO1 ZINC001169392706 1079263135 /nfs/dbraw/zinc/26/31/35/1079263135.db2.gz BBHBGCUTJLQCHM-XAPVIXHLSA-N 0 3 411.539 2.164 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)CO1 ZINC001169400423 1079274879 /nfs/dbraw/zinc/27/48/79/1079274879.db2.gz YXGKFQWWMLTLFD-FKEBYFGASA-N 0 3 400.519 2.362 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)CO1 ZINC001169417436 1079277149 /nfs/dbraw/zinc/27/71/49/1079277149.db2.gz GOBRTMQALQCMGK-IEBWSBKVSA-N 0 3 405.495 2.392 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000771322423 1079287113 /nfs/dbraw/zinc/28/71/13/1079287113.db2.gz CLOHLPQDOVOGKA-KRWDZBQOSA-N 0 3 411.591 2.101 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(CCN1CCCCC1)C2=O ZINC000766710484 1079297496 /nfs/dbraw/zinc/29/74/96/1079297496.db2.gz FMGBPWMQQHLQSB-KKSFZXQISA-N 0 3 408.543 2.478 20 0 HEADHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC001169540905 1079326061 /nfs/dbraw/zinc/32/60/61/1079326061.db2.gz SCSRSUYSCMDXIK-OLZOCXBDSA-N 0 3 402.308 2.304 20 0 HEADHN COc1ccc(-c2cnc3n2CCN(C)C32CCN([C@H]3CCN(C(C)=O)C3)CC2)cc1 ZINC001169550271 1079329677 /nfs/dbraw/zinc/32/96/77/1079329677.db2.gz UFQUJPJFBPBBEN-FQEVSTJZSA-N 0 3 423.561 2.416 20 0 HEADHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771583928 1079381150 /nfs/dbraw/zinc/38/11/50/1079381150.db2.gz WSLJGPNQUKVQEC-USXIJHARSA-N 0 3 411.543 2.116 20 0 HEADHN CC(C)(C)OC(=O)CS(=O)(=O)CCN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC001169715936 1079383406 /nfs/dbraw/zinc/38/34/06/1079383406.db2.gz SAVZTGAESIFPGA-CQSZACIVSA-N 0 3 422.588 2.272 20 0 HEADHN CS(=O)(=O)C1CCC(N2CC[C@H]3[C@@H](CC(=O)N4CCCCC4)OC[C@H]3C2)CC1 ZINC001169879577 1079453230 /nfs/dbraw/zinc/45/32/30/1079453230.db2.gz DXOHNHVDYLHWJT-AWUBQHKLSA-N 0 3 412.596 2.082 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC[C@]3(CCN(Cc4ccncc4)C3=O)C2)CC1 ZINC001169884541 1079458399 /nfs/dbraw/zinc/45/83/99/1079458399.db2.gz GSFVANWVEDGQIF-GRERDSQWSA-N 0 3 405.564 2.252 20 0 HEADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737816359 1075930847 /nfs/dbraw/zinc/93/08/47/1075930847.db2.gz IOORTYRWQZFDMG-GOSISDBHSA-N 0 3 417.485 2.286 20 0 HEADHN CN(CCN1CCN(C(=O)c2cnn(-c3ccc(F)cc3)n2)CC1)Cc1ccccc1 ZINC000737836968 1075935782 /nfs/dbraw/zinc/93/57/82/1075935782.db2.gz GOFJUFVAUUJVDB-UHFFFAOYSA-N 0 3 422.508 2.296 20 0 HEADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC(n2ccnc2)CC1 ZINC000738109596 1075964729 /nfs/dbraw/zinc/96/47/29/1075964729.db2.gz GWZWPQQFJWAESL-HSZRJFAPSA-N 0 3 422.533 2.064 20 0 HEADHN Cc1cccc(-c2nn(CN3CCN(C(=O)CN4CCCC4)CC3)c(=S)n2C)c1 ZINC000738161085 1075971342 /nfs/dbraw/zinc/97/13/42/1075971342.db2.gz NEWAITKPFJJIKD-UHFFFAOYSA-N 0 3 414.579 2.124 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000738285263 1075979280 /nfs/dbraw/zinc/97/92/80/1075979280.db2.gz IYLGRYGVGWKVDV-VQIMIIECSA-N 0 3 423.355 2.446 20 0 HEADHN COCCN(C)CCOc1cccc(CNS(=O)(=O)c2cccnc2Cl)c1 ZINC000738372293 1075991948 /nfs/dbraw/zinc/99/19/48/1075991948.db2.gz HAQZLVXLHCZLFV-UHFFFAOYSA-N 0 3 413.927 2.171 20 0 HEADHN CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000738517875 1075999312 /nfs/dbraw/zinc/99/93/12/1075999312.db2.gz ZMXOIFVFUJSJNY-UHFFFAOYSA-N 0 3 415.968 2.400 20 0 HEADHN CCN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771778419 1079499237 /nfs/dbraw/zinc/49/92/37/1079499237.db2.gz PQPIYSAELBFSPI-WOJBJXKFSA-N 0 3 403.523 2.215 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000739068805 1076036590 /nfs/dbraw/zinc/03/65/90/1076036590.db2.gz HGWIQTFVBNVPFF-LJQANCHMSA-N 0 3 424.545 2.441 20 0 HEADHN Cc1cc(NC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccc1OC1CCOCC1 ZINC000739077656 1076038377 /nfs/dbraw/zinc/03/83/77/1076038377.db2.gz BADMHXRCIIVXMP-QGZVFWFLSA-N 0 3 403.523 2.482 20 0 HEADHN Cc1c(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000740458926 1076181732 /nfs/dbraw/zinc/18/17/32/1076181732.db2.gz RKCVIEFLOOEUOT-JKSUJKDBSA-N 0 3 424.567 2.057 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000804260064 1076223040 /nfs/dbraw/zinc/22/30/40/1076223040.db2.gz APEZPWJXMBVZDO-RHSMWYFYSA-N 0 3 419.497 2.425 20 0 HEADHN CCc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209275 1076404277 /nfs/dbraw/zinc/40/42/77/1076404277.db2.gz IXNVZICJOBXREX-MJGOQNOKSA-N 0 3 413.522 2.210 20 0 HEADHN Cc1ccc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c(CN(C)C)c1 ZINC000741216370 1076407486 /nfs/dbraw/zinc/40/74/86/1076407486.db2.gz SYVNKHNXLOVDES-UHFFFAOYSA-N 0 3 404.511 2.074 20 0 HEADHN C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000741331036 1076478636 /nfs/dbraw/zinc/47/86/36/1076478636.db2.gz OADYGNOBAVQOMG-AWEZNQCLSA-N 0 3 408.462 2.135 20 0 HEADHN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741333879 1076479973 /nfs/dbraw/zinc/47/99/73/1076479973.db2.gz XNXTVYSARHWNAJ-FQEVSTJZSA-N 0 3 416.518 2.386 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccccc1Cn1cncn1 ZINC000741396680 1076509959 /nfs/dbraw/zinc/50/99/59/1076509959.db2.gz ZZMGMALEDZABAI-JOCHJYFZSA-N 0 3 406.490 2.085 20 0 HEADHN CN(CCCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741409241 1076512701 /nfs/dbraw/zinc/51/27/01/1076512701.db2.gz XIFCRZDUYGUPTM-QFIPXVFZSA-N 0 3 420.554 2.180 20 0 HEADHN COCCN(C)CCNC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1 ZINC000741680673 1076584505 /nfs/dbraw/zinc/58/45/05/1076584505.db2.gz KOCKURNEAYMZTO-UHFFFAOYSA-N 0 3 405.539 2.003 20 0 HEADHN CCc1nc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)nn1-c1ccccc1F ZINC000741691597 1076588021 /nfs/dbraw/zinc/58/80/21/1076588021.db2.gz AUVGYTQATGBRQF-INIZCTEOSA-N 0 3 401.486 2.342 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000741691615 1076588175 /nfs/dbraw/zinc/58/81/75/1076588175.db2.gz NSLUJDRQIRZDDU-GUDVDZBRSA-N 0 3 410.603 2.460 20 0 HEADHN CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000741691209 1076588210 /nfs/dbraw/zinc/58/82/10/1076588210.db2.gz KMHUYEPDKKWBLE-WIYYLYMNSA-N 0 3 400.567 2.163 20 0 HEADHN CN(CC1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1)C(=O)OC(C)(C)C ZINC000741778888 1076624753 /nfs/dbraw/zinc/62/47/53/1076624753.db2.gz GLGVAILOPWAHSH-UHFFFAOYSA-N 0 3 408.543 2.430 20 0 HEADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)[C@H]1C ZINC000741791156 1076629346 /nfs/dbraw/zinc/62/93/46/1076629346.db2.gz QFOIMJFWFKKZHA-WFNWROLRSA-N 0 3 405.564 2.252 20 0 HEADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[C@H]1C ZINC000741791150 1076629533 /nfs/dbraw/zinc/62/95/33/1076629533.db2.gz QFOIMJFWFKKZHA-LWUPMFFHSA-N 0 3 405.564 2.252 20 0 HEADHN CN(C)S(=O)(=O)c1ccc2oc(=S)n(CN3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000742163569 1076760770 /nfs/dbraw/zinc/76/07/70/1076760770.db2.gz UQMGJLUXROWDMI-AWEZNQCLSA-N 0 3 408.549 2.118 20 0 HEADHN CN1CCC2(CC1)NC(=O)N(CN(Cc1ccc(F)cc1)CC(F)(F)F)C2=O ZINC000742172471 1076763997 /nfs/dbraw/zinc/76/39/97/1076763997.db2.gz ONXSJWILQCIFSQ-UHFFFAOYSA-N 0 3 402.392 2.164 20 0 HEADHN CCCCc1ccc(-n2nnn(CN3CCN(CC(C)(C)O)CC3)c2=S)cc1 ZINC000742151459 1076767369 /nfs/dbraw/zinc/76/73/69/1076767369.db2.gz UKWRCULRGGNZMD-UHFFFAOYSA-N 0 3 404.584 2.487 20 0 HEADHN COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000742304865 1076812922 /nfs/dbraw/zinc/81/29/22/1076812922.db2.gz IKPIQRSHYORVPT-RISCZKNCSA-N 0 3 419.341 2.196 20 0 HEADHN CCOC(=O)N1CCC(S(=O)(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000742284394 1076816019 /nfs/dbraw/zinc/81/60/19/1076816019.db2.gz WXSOACVTZDFIKV-LJQANCHMSA-N 0 3 423.579 2.439 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000742290310 1076818531 /nfs/dbraw/zinc/81/85/31/1076818531.db2.gz UERVAMWSDKAFCF-PMACEKPBSA-N 0 3 421.563 2.288 20 0 HEADHN C[C@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)N1CCC(C)CC1 ZINC000742401870 1076837860 /nfs/dbraw/zinc/83/78/60/1076837860.db2.gz WUDSBHVQCZYTGK-CQSZACIVSA-N 0 3 401.960 2.441 20 0 HEADHN Cc1ccc([C@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)N(C)C)cc1 ZINC000742402175 1076837907 /nfs/dbraw/zinc/83/79/07/1076837907.db2.gz STSZYSFPUQOCNK-IBGZPJMESA-N 0 3 407.511 2.417 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)N(C)C)cc1 ZINC000742402147 1076837916 /nfs/dbraw/zinc/83/79/16/1076837916.db2.gz QXYAHDYKHDUXAY-YKSBVNFPSA-N 0 3 420.513 2.107 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)COc1ccc(C=O)cc1Br ZINC000742643274 1076860914 /nfs/dbraw/zinc/86/09/14/1076860914.db2.gz XRFXCRVUUJKGJZ-HNNXBMFYSA-N 0 3 413.312 2.210 20 0 HEADHN CCN1CCN(CCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742670035 1076862798 /nfs/dbraw/zinc/86/27/98/1076862798.db2.gz QFKLQRCOXIHALB-IBGZPJMESA-N 0 3 404.555 2.049 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742669969 1076862937 /nfs/dbraw/zinc/86/29/37/1076862937.db2.gz OSRLPDIHVAIEJE-QUCCMNQESA-N 0 3 418.582 2.437 20 0 HEADHN C[C@@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000742671758 1076863542 /nfs/dbraw/zinc/86/35/42/1076863542.db2.gz YFNWIQUSBSNWIZ-AZUAARDMSA-N 0 3 418.582 2.295 20 0 HEADHN C[C@@H]1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CCN1Cc1ccccc1 ZINC000743209355 1077001181 /nfs/dbraw/zinc/00/11/81/1077001181.db2.gz VFRPBLQKCNTAPJ-QGZVFWFLSA-N 0 3 419.551 2.056 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 ZINC000743232462 1077008478 /nfs/dbraw/zinc/00/84/78/1077008478.db2.gz GNSYIJARUUFZMJ-MRXNPFEDSA-N 0 3 419.526 2.047 20 0 HEADHN CCN(CC)CC(=O)N1CCN(Cn2nc(CCc3ccccc3)oc2=S)CC1 ZINC000743362305 1077032162 /nfs/dbraw/zinc/03/21/62/1077032162.db2.gz MHIOJDMIVNCAMJ-UHFFFAOYSA-N 0 3 417.579 2.434 20 0 HEADHN C[C@@H]1CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)C[C@H](C)S1 ZINC000743376006 1077044121 /nfs/dbraw/zinc/04/41/21/1077044121.db2.gz IPTIYOCGPBUNRQ-FVJLSDCUSA-N 0 3 402.564 2.356 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000743764718 1077117847 /nfs/dbraw/zinc/11/78/47/1077117847.db2.gz DTUGHGZUFTXUNR-HXUWFJFHSA-N 0 3 400.479 2.358 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCC(C)(C)N1CCCCC1 ZINC000743877780 1077161535 /nfs/dbraw/zinc/16/15/35/1077161535.db2.gz SSLKAVVZGAATDZ-UHFFFAOYSA-N 0 3 402.495 2.271 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cccc1N1CCOC1=O ZINC000743898677 1077210419 /nfs/dbraw/zinc/21/04/19/1077210419.db2.gz HTAHETFIJGQLRK-OAHLLOKOSA-N 0 3 402.495 2.127 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000743900219 1077212915 /nfs/dbraw/zinc/21/29/15/1077212915.db2.gz STJOCEWXRGHZOG-UHFFFAOYSA-N 0 3 402.495 2.223 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](SC)C3)c(C)c2)CC1 ZINC000743969637 1077273765 /nfs/dbraw/zinc/27/37/65/1077273765.db2.gz XCRSULFRWCTWRF-AEFFLSMTSA-N 0 3 404.580 2.476 20 0 HEADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)cc2)CC1 ZINC000743976903 1077291148 /nfs/dbraw/zinc/29/11/48/1077291148.db2.gz BPCYPTWCBFDBLH-QFIPXVFZSA-N 0 3 424.545 2.003 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1OCC(F)(F)F ZINC000743981999 1077294950 /nfs/dbraw/zinc/29/49/50/1077294950.db2.gz NJWAYGMZGWBPHT-GFCCVEGCSA-N 0 3 403.401 2.175 20 0 HEADHN CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1Cl ZINC000743981895 1077295133 /nfs/dbraw/zinc/29/51/33/1077295133.db2.gz VDHDNZGSMULBLJ-AWEZNQCLSA-N 0 3 408.930 2.265 20 0 HEADHN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 ZINC000745398901 1077817961 /nfs/dbraw/zinc/81/79/61/1077817961.db2.gz MKSSSALBYGTXIJ-SFHVURJKSA-N 0 3 415.563 2.256 20 0 HEADHN C[C@H]1NC(C(=O)N(CCCc2ccccc2)CCN(C)C)=NN(c2ccccc2)C1=O ZINC000745392292 1077821422 /nfs/dbraw/zinc/82/14/22/1077821422.db2.gz MJWBWVJAAKZOQA-LJQANCHMSA-N 0 3 421.545 2.348 20 0 HEADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@@H]1C ZINC000766991286 1079553764 /nfs/dbraw/zinc/55/37/64/1079553764.db2.gz NRZKPYKVGFKJQB-HUXJOUILSA-N 0 3 405.564 2.109 20 0 HEADHN CCOC(=O)C1=C(CN2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)NC(=O)N[C@@H]1C ZINC000766964947 1079560706 /nfs/dbraw/zinc/56/07/06/1079560706.db2.gz BBYFGORKNNCQMJ-GVDBMIGSSA-N 0 3 400.523 2.100 20 0 HEADHN C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000766968936 1079564638 /nfs/dbraw/zinc/56/46/38/1079564638.db2.gz IRPONBABKCVXDF-CZUORRHYSA-N 0 3 412.458 2.376 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC000772071976 1079709321 /nfs/dbraw/zinc/70/93/21/1079709321.db2.gz VFKHEKWXPZPOKS-DLBZAZTESA-N 0 3 415.600 2.298 20 0 HEADHN COC(=O)Cc1ccccc1CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767155088 1079718795 /nfs/dbraw/zinc/71/87/95/1079718795.db2.gz XDBKREQYKXGMQG-HSZRJFAPSA-N 0 3 407.470 2.099 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@]1(C)CCO[C@H]1C1CC1 ZINC000767195522 1079730691 /nfs/dbraw/zinc/73/06/91/1079730691.db2.gz JZVFFYQZHKZSKW-HFTRVMKXSA-N 0 3 401.960 2.499 20 0 HEADHN CCc1nn(C)c(OC)c1CNC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000772217944 1079743504 /nfs/dbraw/zinc/74/35/04/1079743504.db2.gz MGTSYDQOTXJJLL-UHFFFAOYSA-N 0 3 400.527 2.455 20 0 HEADHN O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000772220105 1079746027 /nfs/dbraw/zinc/74/60/27/1079746027.db2.gz HATDYNIWTBPIBJ-ZWKOTPCHSA-N 0 3 400.504 2.217 20 0 HEADHN Cc1nc2c(cnn2-c2ccccc2)c(N2CCC(N3CCC[C@H]3C(N)=O)CC2)n1 ZINC000767262914 1079784267 /nfs/dbraw/zinc/78/42/67/1079784267.db2.gz QSEILUYEQOWHQI-IBGZPJMESA-N 0 3 405.506 2.042 20 0 HEADHN COC(=O)/C=C/c1ccc(OCCN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000767337672 1079810692 /nfs/dbraw/zinc/81/06/92/1079810692.db2.gz NIHRDZVQOLZNSG-KUCQQTCKSA-N 0 3 404.488 2.250 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1ccc(F)cc1F ZINC000767358349 1079828219 /nfs/dbraw/zinc/82/82/19/1079828219.db2.gz CGQYDWQVPZSIQS-WIYYLYMNSA-N 0 3 401.413 2.195 20 0 HEADHN CN(C)[C@@H](CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)c1ccccc1 ZINC000772411122 1079845796 /nfs/dbraw/zinc/84/57/96/1079845796.db2.gz BYXNZMNTEHKYTC-FQEVSTJZSA-N 0 3 411.506 2.036 20 0 HEADHN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000767598509 1079998391 /nfs/dbraw/zinc/99/83/91/1079998391.db2.gz RKQFCUKINPZJCN-INIZCTEOSA-N 0 3 415.600 2.394 20 0 HEADHN C[C@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1)N1CCCCC1 ZINC000785581857 1080059624 /nfs/dbraw/zinc/05/96/24/1080059624.db2.gz BPTHLDFNAXOMIE-QAPCUYQASA-N 0 3 417.941 2.270 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)C2CCC(F)(F)CC2)CC1=O ZINC000785652134 1080105994 /nfs/dbraw/zinc/10/59/94/1080105994.db2.gz XGRYTTYSGFUASU-JKSUJKDBSA-N 0 3 400.466 2.257 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2cccc(OC(F)F)c2)CC1=O ZINC000785651905 1080106029 /nfs/dbraw/zinc/10/60/29/1080106029.db2.gz HQPGOLRHWJTQDZ-JKSUJKDBSA-N 0 3 424.444 2.347 20 0 HEADHN O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785713393 1080221375 /nfs/dbraw/zinc/22/13/75/1080221375.db2.gz LTKGZUIFFIHHDV-QGZVFWFLSA-N 0 3 414.424 2.211 20 0 HEADHN O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712954 1080222080 /nfs/dbraw/zinc/22/20/80/1080222080.db2.gz VPUMNPKGOWGEKZ-UHFFFAOYSA-N 0 3 413.499 2.317 20 0 HEADHN O=C(COC(=O)c1ccc(CN2CCC(CO)CC2)cc1)NCc1cccs1 ZINC000785714149 1080222602 /nfs/dbraw/zinc/22/26/02/1080222602.db2.gz WQSUBAWCXHEPBT-UHFFFAOYSA-N 0 3 402.516 2.426 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(Cc2ccnc(N)c2)C1 ZINC000785770025 1080239391 /nfs/dbraw/zinc/23/93/91/1080239391.db2.gz VPLTWRHGOLFFEP-MSOLQXFVSA-N 0 3 417.554 2.392 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2ccc3c(c2)NC(=O)C3)CC1 ZINC000785781274 1080242841 /nfs/dbraw/zinc/24/28/41/1080242841.db2.gz OUQXWBXSZZOEKX-UHFFFAOYSA-N 0 3 421.497 2.381 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000785807719 1080252524 /nfs/dbraw/zinc/25/25/24/1080252524.db2.gz CTEMMISMCVIUGJ-FXAWDEMLSA-N 0 3 411.546 2.240 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)CCCNC(=O)OCc1ccccc1 ZINC000785814007 1080254976 /nfs/dbraw/zinc/25/49/76/1080254976.db2.gz WUXOIYRQIYXNFN-SFHVURJKSA-N 0 3 403.523 2.405 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000785816847 1080256577 /nfs/dbraw/zinc/25/65/77/1080256577.db2.gz VCNRWWARYUTAHA-WMZOPIPTSA-N 0 3 419.953 2.400 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N[C@H]3CCN(CC4CC4)C3)C[C@@H](C1)C2=O ZINC000768034286 1080277030 /nfs/dbraw/zinc/27/70/30/1080277030.db2.gz RGAZJCNEXLKSNV-FBVQUNGASA-N 0 3 405.539 2.049 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)N1CCCCC1 ZINC000768037692 1080278945 /nfs/dbraw/zinc/27/89/45/1080278945.db2.gz KNYAQSDFBYDOMV-SNVBAGLBSA-N 0 3 403.708 2.427 20 0 HEADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)N(C)C ZINC000786024366 1080339639 /nfs/dbraw/zinc/33/96/39/1080339639.db2.gz DNWZGRICGBXUDI-UZLBHIALSA-N 0 3 406.490 2.322 20 0 HEADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)N(C)C ZINC000786026161 1080340083 /nfs/dbraw/zinc/34/00/83/1080340083.db2.gz SIWGKOADMICUNH-JXFKEZNVSA-N 0 3 406.490 2.322 20 0 HEADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)N(C)C ZINC000786026218 1080340643 /nfs/dbraw/zinc/34/06/43/1080340643.db2.gz SQOVMXPNKCWVKZ-UZLBHIALSA-N 0 3 406.490 2.322 20 0 HEADHN CC[C@H](CN1CCCC1)NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768149579 1080356537 /nfs/dbraw/zinc/35/65/37/1080356537.db2.gz SHHBMTYVMOLDTC-HQSKLWIPSA-N 0 3 407.555 2.439 20 0 HEADHN O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000768137446 1080368706 /nfs/dbraw/zinc/36/87/06/1080368706.db2.gz FQDOYIDRKIYYKT-LLVKDONJSA-N 0 3 401.692 2.133 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000768174199 1080386111 /nfs/dbraw/zinc/38/61/11/1080386111.db2.gz NEYQTDOFIKSBNM-QGZVFWFLSA-N 0 3 424.549 2.134 20 0 HEADHN CN1CCN(CCCNC(=O)N[C@@H]2CCCC3(C2)OCCO3)[C@H](c2ccccc2)C1 ZINC000768201943 1080391266 /nfs/dbraw/zinc/39/12/66/1080391266.db2.gz MHPIVDVNDSQENJ-RTWAWAEBSA-N 0 3 416.566 2.350 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)COc2ccc3ccc(=O)oc3c2)CC1 ZINC001169989896 1080413885 /nfs/dbraw/zinc/41/38/85/1080413885.db2.gz JXOFJKFZFFAYSW-UHFFFAOYSA-N 0 3 400.475 2.275 20 0 HEADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@]2(O)CCc3ccccc3C2)cc1 ZINC000786144640 1080419851 /nfs/dbraw/zinc/41/98/51/1080419851.db2.gz PYUDMLPQFLMFTL-DEOSSOPVSA-N 0 3 407.514 2.371 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC000768428886 1080550356 /nfs/dbraw/zinc/55/03/56/1080550356.db2.gz KYLXSYYFJLTKTL-MJGOQNOKSA-N 0 3 420.554 2.036 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H](C)c3c(C)n[nH]c3C)cc2)CC1 ZINC000786321238 1080561599 /nfs/dbraw/zinc/56/15/99/1080561599.db2.gz GLJSRHMBVBLQQE-OAHLLOKOSA-N 0 3 413.522 2.454 20 0 HEADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394000 1080584208 /nfs/dbraw/zinc/58/42/08/1080584208.db2.gz VRNBLTMXMNUMFS-KRWDZBQOSA-N 0 3 424.586 2.321 20 0 HEADHN C[C@H](C(=O)OCC1CCN(Cc2ccco2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000772686183 1080707937 /nfs/dbraw/zinc/70/79/37/1080707937.db2.gz YPNGMDSBLLGAHP-OAHLLOKOSA-N 0 3 403.479 2.288 20 0 HEADHN C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCS(=O)(=O)c1ccccc1 ZINC000768689054 1080748333 /nfs/dbraw/zinc/74/83/33/1080748333.db2.gz PIUFFABBLGFPMZ-IRXDYDNUSA-N 0 3 412.552 2.464 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](c2ccccc2)N(C)C)n1 ZINC000786732906 1080782366 /nfs/dbraw/zinc/78/23/66/1080782366.db2.gz NOWBDCMONDQNSI-KRWDZBQOSA-N 0 3 407.540 2.051 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N(CCN(C)C)Cc2ccccc2)n1 ZINC000786733711 1080783237 /nfs/dbraw/zinc/78/32/37/1080783237.db2.gz SSKIMLIRKJNHDP-UHFFFAOYSA-N 0 3 421.567 2.222 20 0 HEADHN Cc1cc(-n2cc(COC(=O)C3CC[C@H](C(F)(F)F)NC3=O)nn2)ccc1F ZINC000786766684 1080809767 /nfs/dbraw/zinc/80/97/67/1080809767.db2.gz KBAFWQKUMDERKH-TZMCWYRMSA-N 0 3 400.332 2.215 20 0 HEADHN O=C(COC(=O)CCN1CCc2ccccc2C1)NC(=O)NCc1cccs1 ZINC000786820917 1080845046 /nfs/dbraw/zinc/84/50/46/1080845046.db2.gz IHEQMEJJFBLCQY-UHFFFAOYSA-N 0 3 401.488 2.066 20 0 HEADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000768907323 1080848809 /nfs/dbraw/zinc/84/88/09/1080848809.db2.gz AVBYSVXMPPNCJX-UHFFFAOYSA-N 0 3 408.502 2.461 20 0 HEADHN CN(C[C@@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1)C(=O)OC(C)(C)C ZINC000768915397 1080854826 /nfs/dbraw/zinc/85/48/26/1080854826.db2.gz LZBUUOAIXQXOGI-SFHVURJKSA-N 0 3 418.586 2.307 20 0 HEADHN Cc1nn(C)cc1CN1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769025642 1080888629 /nfs/dbraw/zinc/88/86/29/1080888629.db2.gz UHRVLTBSCFWEJA-QGZVFWFLSA-N 0 3 405.543 2.020 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000786974370 1080896704 /nfs/dbraw/zinc/89/67/04/1080896704.db2.gz ZSDGWIRONSEQNN-KRWDZBQOSA-N 0 3 404.555 2.467 20 0 HEADHN Cc1cccc2ncc(CN3CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)n21 ZINC000769192630 1080967466 /nfs/dbraw/zinc/96/74/66/1080967466.db2.gz OJHMBKOPHWPMSH-QGZVFWFLSA-N 0 3 415.538 2.496 20 0 HEADHN CC(C)(C)OC(=O)Nc1ccc(CN2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000769315361 1081039898 /nfs/dbraw/zinc/03/98/98/1081039898.db2.gz AANDIEBSYAEHFZ-UHFFFAOYSA-N 0 3 403.527 2.169 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(OCc2ccccn2)c1)N1CCCCC1 ZINC000787177951 1081045789 /nfs/dbraw/zinc/04/57/89/1081045789.db2.gz PCTVOLNMHBPOAU-SFHVURJKSA-N 0 3 410.518 2.267 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000769337734 1081047767 /nfs/dbraw/zinc/04/77/67/1081047767.db2.gz OEBFQMIMURSQDN-WFASDCNBSA-N 0 3 407.383 2.312 20 0 HEADHN O=C1C[C@H](c2cc(F)c(F)c(F)c2)CN1CN1CCC(CN2CCOCC2)CC1 ZINC000787217311 1081052505 /nfs/dbraw/zinc/05/25/05/1081052505.db2.gz YGXNTCAKHBYQRO-KRWDZBQOSA-N 0 3 411.468 2.422 20 0 HEADHN CN(CC(=O)NC[C@H]1COc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746662044 1081055063 /nfs/dbraw/zinc/05/50/63/1081055063.db2.gz WPTDXUWIORMBTF-KRWDZBQOSA-N 0 3 419.522 2.274 20 0 HEADHN C[C@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)N1CCC[C@H](C)C1 ZINC000769375828 1081056805 /nfs/dbraw/zinc/05/68/05/1081056805.db2.gz UHNBEUXEHKNHMQ-JKSUJKDBSA-N 0 3 411.493 2.482 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000787208962 1081062250 /nfs/dbraw/zinc/06/22/50/1081062250.db2.gz QZZXWDZRGCOANK-FUHWJXTLSA-N 0 3 410.559 2.281 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787279591 1081088901 /nfs/dbraw/zinc/08/89/01/1081088901.db2.gz MXURNOWQVHSWPO-QGZVFWFLSA-N 0 3 404.555 2.467 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787267486 1081100526 /nfs/dbraw/zinc/10/05/26/1081100526.db2.gz UCVRJXIHRPKGIG-KBXCAEBGSA-N 0 3 400.926 2.085 20 0 HEADHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000787269276 1081102028 /nfs/dbraw/zinc/10/20/28/1081102028.db2.gz CMQNFTGJHRPOCR-IAGOWNOFSA-N 0 3 423.439 2.247 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccccc2I)CC1 ZINC000769534682 1081112910 /nfs/dbraw/zinc/11/29/10/1081112910.db2.gz WPELAZLECDFCBS-INIZCTEOSA-N 0 3 413.303 2.030 20 0 HEADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000769537882 1081114510 /nfs/dbraw/zinc/11/45/10/1081114510.db2.gz NUCUHNCCOPAWAK-BHIYHBOVSA-N 0 3 420.554 2.082 20 0 HEADHN CCN(CCO)CCNC(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000769636044 1081154503 /nfs/dbraw/zinc/15/45/03/1081154503.db2.gz SXVRIIIFCSDPPA-POGDKVGISA-N 0 3 407.942 2.165 20 0 HEADHN NS(=O)(=O)c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164629154 719073262 /nfs/dbraw/zinc/07/32/62/719073262.db2.gz WCQFBDYWRBTXRN-MAUKXSAKSA-N 0 3 406.939 2.483 20 0 HEADHN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164684276 719692888 /nfs/dbraw/zinc/69/28/88/719692888.db2.gz HXKPNIFAEHQMEU-KRWDZBQOSA-N 0 3 424.549 2.200 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc3ccc(OC)cc3nc1Cl)CC2 ZINC001164683479 719712688 /nfs/dbraw/zinc/71/26/88/719712688.db2.gz KNCYVIMQKUFCFN-UHFFFAOYSA-N 0 3 403.914 2.473 20 0 HEADHN CN(Cc1ccc(N2CCO[C@H]3[C@H]2CC[C@@H]3OCC(=O)N2CCCC2)nc1)C1CC1 ZINC001164709411 720086539 /nfs/dbraw/zinc/08/65/39/720086539.db2.gz DRVAYMWECLBGSK-QTEQDKRBSA-N 0 3 414.550 2.051 20 0 HEADHN CC1(C)NC(=O)N(Cc2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2)C1=O ZINC001164731486 720448561 /nfs/dbraw/zinc/44/85/61/720448561.db2.gz KWQDYNWNOQLSAE-RTBURBONSA-N 0 3 420.517 2.160 20 0 HEADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738144 720637226 /nfs/dbraw/zinc/63/72/26/720637226.db2.gz ALACVPUNYCEAFG-HOTGVXAUSA-N 0 3 409.881 2.324 20 0 HEADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)N3C(C)C)C2)c1 ZINC001164838335 720652884 /nfs/dbraw/zinc/65/28/84/720652884.db2.gz HIGFAYBBFRCZMI-WSTZPKSXSA-N 0 3 417.579 2.450 20 0 HEADHN COc1cccc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164742210 720731678 /nfs/dbraw/zinc/73/16/78/720731678.db2.gz NQZBLJTUCMXBJL-PKOBYXMFSA-N 0 3 404.474 2.284 20 0 HEADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)CC1 ZINC001164746912 720759346 /nfs/dbraw/zinc/75/93/46/720759346.db2.gz YYCBGPDXBVWCTA-UXHICEINSA-N 0 3 422.533 2.086 20 0 HEADHN COc1ccccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164737194 720764693 /nfs/dbraw/zinc/76/46/93/720764693.db2.gz ANNHVMBQXJEFLG-DLBZAZTESA-N 0 3 404.474 2.284 20 0 HEADHN COc1ccc(-c2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164745243 720773187 /nfs/dbraw/zinc/77/31/87/720773187.db2.gz UCAOWFJZIZKECK-MJGOQNOKSA-N 0 3 404.474 2.284 20 0 HEADHN COc1cc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164742751 720801591 /nfs/dbraw/zinc/80/15/91/720801591.db2.gz DMFNJJWEUFADBL-RDJZCZTQSA-N 0 3 407.474 2.384 20 0 HEADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867481 721058547 /nfs/dbraw/zinc/05/85/47/721058547.db2.gz JFGBGPINUOFEQO-MOPGFXCFSA-N 0 3 419.485 2.291 20 0 HEADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864344 721104433 /nfs/dbraw/zinc/10/44/33/721104433.db2.gz FLDRZSIIJLUAHL-WOJBJXKFSA-N 0 3 418.501 2.422 20 0 HEADHN COC(=O)CSc1cccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880972 721124857 /nfs/dbraw/zinc/12/48/57/721124857.db2.gz YLGBUGACVBQTEI-QZTJIDSGSA-N 0 3 414.531 2.221 20 0 HEADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164774482 721227198 /nfs/dbraw/zinc/22/71/98/721227198.db2.gz ZSVYDRYYVMTCEQ-QWHCGFSZSA-N 0 3 419.320 2.418 20 0 HEADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164774481 721227689 /nfs/dbraw/zinc/22/76/89/721227689.db2.gz ZSVYDRYYVMTCEQ-OLZOCXBDSA-N 0 3 419.320 2.418 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164767210 721256492 /nfs/dbraw/zinc/25/64/92/721256492.db2.gz WFVBOTXNDWKASZ-HMXCVIKNSA-N 0 3 410.518 2.286 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164890060 721421891 /nfs/dbraw/zinc/42/18/91/721421891.db2.gz SBSDKRZGUNQHTB-NZQKXSOJSA-N 0 3 414.598 2.232 20 0 HEADHN CCN(CC)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164885611 721424700 /nfs/dbraw/zinc/42/47/00/721424700.db2.gz GSTBQLYEDVCQHU-UGKGYDQZSA-N 0 3 402.587 2.088 20 0 HEADHN CC(=O)Nc1c(C)ccnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164889554 721429294 /nfs/dbraw/zinc/42/92/94/721429294.db2.gz BNXRVMKBLPULDP-SIKLNZKXSA-N 0 3 401.555 2.114 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900496 721512188 /nfs/dbraw/zinc/51/21/88/721512188.db2.gz RGQBZABHQGVVHF-ZFWWWQNUSA-N 0 3 406.845 2.398 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898818 721522516 /nfs/dbraw/zinc/52/25/16/721522516.db2.gz JKQSQSCTISLPIT-GXTWGEPZSA-N 0 3 408.836 2.454 20 0 HEADHN CCOC(=O)c1c(C)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902847 721535565 /nfs/dbraw/zinc/53/55/65/721535565.db2.gz BMGZCUYJSJLALW-AEFFLSMTSA-N 0 3 400.454 2.443 20 0 HEADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903067 721543799 /nfs/dbraw/zinc/54/37/99/721543799.db2.gz BYSJUXFENQPXRN-QUCCMNQESA-N 0 3 424.476 2.212 20 0 HEADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907797 721546832 /nfs/dbraw/zinc/54/68/32/721546832.db2.gz OOPCMLZOWQMPBI-WMZOPIPTSA-N 0 3 400.454 2.196 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903098 721559782 /nfs/dbraw/zinc/55/97/82/721559782.db2.gz AJZXYKLIVWUQEL-UKRRQHHQSA-N 0 3 406.845 2.398 20 0 HEADHN O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ccc(CN3CCCC3)cn2)CC1 ZINC001165049144 721981447 /nfs/dbraw/zinc/98/14/47/721981447.db2.gz HCJPMIJNZBARDS-NRFANRHFSA-N 0 3 408.502 2.166 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164948727 722001439 /nfs/dbraw/zinc/00/14/39/722001439.db2.gz AWDZWVFZVLZFLR-YVWKXTFCSA-N 0 3 413.547 2.300 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164953833 722001767 /nfs/dbraw/zinc/00/17/67/722001767.db2.gz ZWZFNUPQZXBNOV-XKGZKEIXSA-N 0 3 413.547 2.299 20 0 HEADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164952278 722002048 /nfs/dbraw/zinc/00/20/48/722002048.db2.gz RBWLVMWNZNRPOS-BHIYHBOVSA-N 0 3 413.547 2.300 20 0 HEADHN CC(C)C(=O)N1CCN(c2ncccc2CN2CCCC2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164975786 722088697 /nfs/dbraw/zinc/08/86/97/722088697.db2.gz UTYHZXZZHORUTF-QHCPKHFHSA-N 0 3 413.566 2.021 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981364 722107394 /nfs/dbraw/zinc/10/73/94/722107394.db2.gz LEKAGVUIWBSNSR-WMLDXEAASA-N 0 3 419.888 2.095 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981366 722107613 /nfs/dbraw/zinc/10/76/13/722107613.db2.gz LEKAGVUIWBSNSR-YOEHRIQHSA-N 0 3 419.888 2.095 20 0 HEADHN COC(=O)c1c[nH]c2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164979754 722109048 /nfs/dbraw/zinc/10/90/48/722109048.db2.gz PSDFNQPBGDYXFG-XLIONFOSSA-N 0 3 421.501 2.472 20 0 HEADHN CNC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164978333 722127634 /nfs/dbraw/zinc/12/76/34/722127634.db2.gz OKVGIOBYNBVBQN-AEFFLSMTSA-N 0 3 415.925 2.217 20 0 HEADHN CCCNC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164981037 722143040 /nfs/dbraw/zinc/14/30/40/722143040.db2.gz OKHWXROGJSQSMC-NHCUHLMSSA-N 0 3 409.534 2.344 20 0 HEADHN CCCNC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164981041 722143143 /nfs/dbraw/zinc/14/31/43/722143143.db2.gz OKHWXROGJSQSMC-SFTDATJTSA-N 0 3 409.534 2.344 20 0 HEADHN CCOC(=O)Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977108 722156164 /nfs/dbraw/zinc/15/61/64/722156164.db2.gz XAUDCWISJGBWJT-SFTDATJTSA-N 0 3 410.518 2.310 20 0 HEADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)nc(C)n4)CC[C@@H]32)cs1 ZINC001164991608 722175941 /nfs/dbraw/zinc/17/59/41/722175941.db2.gz YLHKJKCSONQZPT-ROUUACIJSA-N 0 3 402.568 2.486 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)N/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000769726834 1078538237 /nfs/dbraw/zinc/53/82/37/1078538237.db2.gz QBMPJGXDSFMKNJ-HGBKYHTQSA-N 0 3 419.529 2.225 20 0 HEADHN C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769943864 1078647606 /nfs/dbraw/zinc/64/76/06/1078647606.db2.gz SNTYWEXNHHVBJZ-INIZCTEOSA-N 0 3 424.586 2.068 20 0 HEADHN C[C@@H]1CN(CCCCNC(=O)c2nccn3c(Br)cnc23)C[C@@H](C)O1 ZINC000769959620 1078652479 /nfs/dbraw/zinc/65/24/79/1078652479.db2.gz NIGLAZZJJOYIIY-CHWSQXEVSA-N 0 3 410.316 2.111 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000745861752 1078677741 /nfs/dbraw/zinc/67/77/41/1078677741.db2.gz PDDSNMZGSMJPJQ-PBHICJAKSA-N 0 3 400.926 2.085 20 0 HEADHN C[C@@H]1CCN(CCNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942881 1078707980 /nfs/dbraw/zinc/70/79/80/1078707980.db2.gz UNLZRCNYCHPUEG-QUCCMNQESA-N 0 3 423.579 2.296 20 0 HEADHN COC(=O)c1ccc(OC[C@@H](O)CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745945205 1078709660 /nfs/dbraw/zinc/70/96/60/1078709660.db2.gz SSJGDLOGQNFFQO-SJORKVTESA-N 0 3 408.495 2.154 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000746036216 1078738112 /nfs/dbraw/zinc/73/81/12/1078738112.db2.gz MFIJSFLSMGDIQK-HUUCEWRRSA-N 0 3 417.901 2.178 20 0 HEADHN CC(=O)N(C)c1cccc(NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)c1 ZINC000746038625 1078739923 /nfs/dbraw/zinc/73/99/23/1078739923.db2.gz OGURZJAUBHFRHW-UHFFFAOYSA-N 0 3 410.518 2.241 20 0 HEADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)C1 ZINC000746046371 1078756635 /nfs/dbraw/zinc/75/66/35/1078756635.db2.gz OACGFPLFLCLBMF-QGZVFWFLSA-N 0 3 409.486 2.440 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000770173140 1078769129 /nfs/dbraw/zinc/76/91/29/1078769129.db2.gz LTXOMZNJSSEFEV-CYBMUJFWSA-N 0 3 400.365 2.156 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000770173113 1078769329 /nfs/dbraw/zinc/76/93/29/1078769329.db2.gz LFAURKYKIJHYAZ-FPOVZHCZSA-N 0 3 416.566 2.320 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1 ZINC000770286827 1078808622 /nfs/dbraw/zinc/80/86/22/1078808622.db2.gz PXWLECMWXBUIFU-LJQANCHMSA-N 0 3 418.538 2.403 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc4c(c3)COC4)cc2)CC1 ZINC000770294125 1078819635 /nfs/dbraw/zinc/81/96/35/1078819635.db2.gz JCMISIHUKFKPMO-UHFFFAOYSA-N 0 3 408.502 2.114 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000770361946 1078830495 /nfs/dbraw/zinc/83/04/95/1078830495.db2.gz LWOJVWZQHRSFHS-QZTJIDSGSA-N 0 3 401.555 2.200 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000770362829 1078830855 /nfs/dbraw/zinc/83/08/55/1078830855.db2.gz NWCUQTJOFPZDHA-IAGOWNOFSA-N 0 3 403.527 2.029 20 0 HEADHN CCOC(=O)N1CC[C@@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000770342226 1078837065 /nfs/dbraw/zinc/83/70/65/1078837065.db2.gz FRGRBHKHZPTJAI-LJQANCHMSA-N 0 3 417.554 2.119 20 0 HEADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN(C[C@@H]1CCOC1)C1CC1 ZINC000746502871 1078847870 /nfs/dbraw/zinc/84/78/70/1078847870.db2.gz LTEPRPMAFBIBPY-WMZHIEFXSA-N 0 3 412.534 2.031 20 0 HEADHN O=C(Nc1ccc(S(=O)(=O)NCC2CCN(C3CC3)CC2)cc1)C(F)(F)F ZINC000770426104 1078848117 /nfs/dbraw/zinc/84/81/17/1078848117.db2.gz FHAUABPARFBOPP-UHFFFAOYSA-N 0 3 405.442 2.340 20 0 HEADHN O=C(CCNS(=O)(=O)c1ccccc1)N1CCCN(Cc2ccccc2)CC1 ZINC000039535827 1078852729 /nfs/dbraw/zinc/85/27/29/1078852729.db2.gz YRDUVSRZUIHGAH-UHFFFAOYSA-N 0 3 401.532 2.090 20 0 HEADHN COC(=O)CCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)C1CCOCC1 ZINC000746335976 1078863158 /nfs/dbraw/zinc/86/31/58/1078863158.db2.gz WQTXQUYEJGSPIL-UHFFFAOYSA-N 0 3 417.550 2.078 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000746339183 1078864647 /nfs/dbraw/zinc/86/46/47/1078864647.db2.gz KCUJGQUTGXVTNW-QGZVFWFLSA-N 0 3 414.472 2.356 20 0 HEADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1F ZINC000746344983 1078867026 /nfs/dbraw/zinc/86/70/26/1078867026.db2.gz NNLGWDTVVZAQGH-INIZCTEOSA-N 0 3 411.543 2.316 20 0 HEADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1F ZINC000746344983 1078867028 /nfs/dbraw/zinc/86/70/28/1078867028.db2.gz NNLGWDTVVZAQGH-INIZCTEOSA-N 0 3 411.543 2.316 20 0 HEADHN CCOC(=O)N1CCC(Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)CC1 ZINC000770549702 1078892856 /nfs/dbraw/zinc/89/28/56/1078892856.db2.gz HOCQWJFREWQTMO-UHFFFAOYSA-N 0 3 401.511 2.470 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000770605493 1078913213 /nfs/dbraw/zinc/91/32/13/1078913213.db2.gz LSOIGMHPZKPREX-MSOLQXFVSA-N 0 3 411.591 2.101 20 0 HEADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766367706 1078921879 /nfs/dbraw/zinc/92/18/79/1078921879.db2.gz YSDBASVSVYCYRF-HNNXBMFYSA-N 0 3 405.296 2.072 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)CCN1CCOC ZINC000766379348 1078928899 /nfs/dbraw/zinc/92/88/99/1078928899.db2.gz ZFWZOEUHZLRERD-IBGZPJMESA-N 0 3 420.554 2.058 20 0 HEADHN CN1CCN(c2ccncc2NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770682269 1078932007 /nfs/dbraw/zinc/93/20/07/1078932007.db2.gz MUTSVNTYBVJNDE-LJQANCHMSA-N 0 3 423.517 2.431 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000770654266 1078940362 /nfs/dbraw/zinc/94/03/62/1078940362.db2.gz GGXNQPATJGOISU-QFBILLFUSA-N 0 3 405.564 2.098 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@H]3c3cc(C)on3)c2)CC1 ZINC000770726474 1078952084 /nfs/dbraw/zinc/95/20/84/1078952084.db2.gz YOTPKSVMMMHDMY-FQEVSTJZSA-N 0 3 411.506 2.427 20 0 HEADHN COC(=O)C1(C)CCC(N2CCN(c3nc(Br)cnc3N)CC2)CC1 ZINC001168787446 1078973764 /nfs/dbraw/zinc/97/37/64/1078973764.db2.gz INBSHKRGNYYTRQ-UHFFFAOYSA-N 0 3 412.332 2.065 20 0 HEADHN COC(=O)Cc1sccc1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001168792729 1078998290 /nfs/dbraw/zinc/99/82/90/1078998290.db2.gz VXTRFCLPMZRIEK-OAQYLSRUSA-N 0 3 402.516 2.173 20 0 HEADHN CCOC(=O)C1C(CN2CCN(C)C[C@H]2C(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000746461975 1079014681 /nfs/dbraw/zinc/01/46/81/1079014681.db2.gz ILHAGJUDDJHDDC-ICSRJNTNSA-N 0 3 400.523 2.130 20 0 HEADHN CCOC(=O)C1=C(CN2CCN(C)C[C@H]2C(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000746461975 1079014685 /nfs/dbraw/zinc/01/46/85/1079014685.db2.gz ILHAGJUDDJHDDC-ICSRJNTNSA-N 0 3 400.523 2.130 20 0 HEADHN O=C(CN1CC[C@@H](CO)C1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000746461992 1079014801 /nfs/dbraw/zinc/01/48/01/1079014801.db2.gz IZEFEZBYKHUAKJ-OAQYLSRUSA-N 0 3 408.546 2.262 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000770801576 1079023399 /nfs/dbraw/zinc/02/33/99/1079023399.db2.gz OWYPJRZFHTUQMV-ZDUSSCGKSA-N 0 3 400.495 2.082 20 0 HEADHN CSc1nc2ccc(NC(=O)C(=O)N[C@H](C)CCN3CCN(C)CC3)cc2s1 ZINC000770803157 1079024879 /nfs/dbraw/zinc/02/48/79/1079024879.db2.gz TWPMKRFIYXRJRC-CYBMUJFWSA-N 0 3 421.592 2.099 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)CC2)c1 ZINC000770859579 1079042385 /nfs/dbraw/zinc/04/23/85/1079042385.db2.gz VJGLBBJDKNYTGY-FYYLOGMGSA-N 0 3 411.546 2.108 20 0 HEADHN CCN1C[C@H]2CCN([C@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001168852421 1079052301 /nfs/dbraw/zinc/05/23/01/1079052301.db2.gz BYLZUOQKGQCRGO-WCXIOVBPSA-N 0 3 401.573 2.130 20 0 HEADHN C[C@@H]1C[C@@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849805 1079061091 /nfs/dbraw/zinc/06/10/91/1079061091.db2.gz LKGHDBTWARBKAO-HUUCEWRRSA-N 0 3 403.527 2.335 20 0 HEADHN Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000766511461 1079061141 /nfs/dbraw/zinc/06/11/41/1079061141.db2.gz DPCJRNHGUNIEIG-UHFFFAOYSA-N 0 3 416.909 2.255 20 0 HEADHN COc1ccc(CN2CC[C@@H](N[C@@H]3COC[C@@H]3NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168879854 1079067576 /nfs/dbraw/zinc/06/75/76/1079067576.db2.gz ACGKOEUKWFKQPO-QRQLOZEOSA-N 0 3 419.522 2.068 20 0 HEADHN CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCN(Cc3cccnc3)CC2)CC1 ZINC001168874330 1079065540 /nfs/dbraw/zinc/06/55/40/1079065540.db2.gz UQQDUHKPPRPJRM-HXUWFJFHSA-N 0 3 404.555 2.207 20 0 HEADHN COc1ccc(CN2CC[C@H](NCc3ccc(N4CCCNC4=O)nc3)CC2=O)cc1 ZINC001168913920 1079074763 /nfs/dbraw/zinc/07/47/63/1079074763.db2.gz BNBYYCQCOOWXSR-IBGZPJMESA-N 0 3 423.517 2.291 20 0 HEADHN COCCO[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC001168951051 1079085370 /nfs/dbraw/zinc/08/53/70/1079085370.db2.gz VVKTUYASLRUGIO-CQSZACIVSA-N 0 3 409.552 2.182 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000771036769 1079111945 /nfs/dbraw/zinc/11/19/45/1079111945.db2.gz CMADISATUAZUBX-UXHICEINSA-N 0 3 401.507 2.157 20 0 HEADHN CCCN(CCNC(=O)C(=O)N1CCCN(C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000804307996 1079133630 /nfs/dbraw/zinc/13/36/30/1079133630.db2.gz MJNSYPITGZRZCB-UHFFFAOYSA-N 0 3 424.586 2.227 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N[C@H](CF)c1ccccc1 ZINC001169175092 1079189162 /nfs/dbraw/zinc/18/91/62/1079189162.db2.gz KKHACPJLPYTSHW-NVXWUHKLSA-N 0 3 401.486 2.293 20 0 HEADHN Cc1cccc(C)c1CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000766621326 1079198800 /nfs/dbraw/zinc/19/88/00/1079198800.db2.gz ITZRMEKOUZBVJD-UHFFFAOYSA-N 0 3 410.474 2.028 20 0 HEADHN COc1cc(CCNc2nccc(CN3CC[C@H](CO)C3)c2C(OC)OC)ccn1 ZINC001169222927 1079201564 /nfs/dbraw/zinc/20/15/64/1079201564.db2.gz PJZXPEDWEHYEQY-KRWDZBQOSA-N 0 3 416.522 2.245 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169346054 1079233058 /nfs/dbraw/zinc/23/30/58/1079233058.db2.gz DACWCZZWWGFUSO-LXZKKBNFSA-N 0 3 402.447 2.129 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CO1 ZINC001169386211 1079257614 /nfs/dbraw/zinc/25/76/14/1079257614.db2.gz LJRKSDDMMGIDDP-WJRACZLCSA-N 0 3 406.523 2.302 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)CO1 ZINC001169388384 1079258798 /nfs/dbraw/zinc/25/87/98/1079258798.db2.gz QFINJPBJNQTPDD-QZTJIDSGSA-N 0 3 421.563 2.377 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)N[C@@]3(CC(=O)OC)CCCOC3)c2)CC1 ZINC000771274605 1079262536 /nfs/dbraw/zinc/26/25/36/1079262536.db2.gz VHPOIYXEQGCVBU-OAQYLSRUSA-N 0 3 404.511 2.062 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)CO1 ZINC001169392700 1079263524 /nfs/dbraw/zinc/26/35/24/1079263524.db2.gz BACYUPCYESTUNG-OQIJWPOYSA-N 0 3 422.547 2.022 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CO1 ZINC001169398008 1079270965 /nfs/dbraw/zinc/27/09/65/1079270965.db2.gz PKCBFPQROFMYMD-IHFIDZABSA-N 0 3 416.518 2.151 20 0 HEADHN COc1cccc2[nH]cc(CCNC(=O)NC(C)(C)CCN3CCN(C)CC3)c21 ZINC000771341467 1079298226 /nfs/dbraw/zinc/29/82/26/1079298226.db2.gz MROOWEPBLRNUFN-UHFFFAOYSA-N 0 3 401.555 2.434 20 0 HEADHN CCN(CC)C(=O)C[C@H](C)N1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001169468656 1079308842 /nfs/dbraw/zinc/30/88/42/1079308842.db2.gz YJNRBMXMPDXTJW-AOMKIAJQSA-N 0 3 418.513 2.310 20 0 HEADHN CC(=O)N1CCC[C@H](N[C@H](CN)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001169594373 1079337782 /nfs/dbraw/zinc/33/77/82/1079337782.db2.gz NLRCYQBBWINECB-GAJHUEQPSA-N 0 3 407.514 2.270 20 0 HEADHN NS(=O)(=O)c1ccc(CCN2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000771465365 1079362232 /nfs/dbraw/zinc/36/22/32/1079362232.db2.gz UKTXGOSPEWEXRT-UHFFFAOYSA-N 0 3 400.500 2.437 20 0 HEADHN CNC(=O)[C@H](NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 ZINC001169714804 1079382908 /nfs/dbraw/zinc/38/29/08/1079382908.db2.gz FFATXFFQOFTRHV-SJLPKXTDSA-N 0 3 420.554 2.119 20 0 HEADHN CNC(=O)[C@@H](NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 ZINC001169714802 1079382986 /nfs/dbraw/zinc/38/29/86/1079382986.db2.gz FFATXFFQOFTRHV-AEFFLSMTSA-N 0 3 420.554 2.119 20 0 HEADHN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000771610932 1079396339 /nfs/dbraw/zinc/39/63/39/1079396339.db2.gz NVRSDGIPPJIOSS-ZWKOTPCHSA-N 0 3 419.522 2.224 20 0 HEADHN Cc1noc(C)c1CN1CCO[C@H]2CN([C@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]21 ZINC001169773653 1079409810 /nfs/dbraw/zinc/40/98/10/1079409810.db2.gz RZASSGIZUYVWJD-WWNPGLIZSA-N 0 3 424.545 2.481 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000771659030 1079429346 /nfs/dbraw/zinc/42/93/46/1079429346.db2.gz XOYSSZHFTDRTOA-LJQANCHMSA-N 0 3 408.546 2.226 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000771662347 1079431375 /nfs/dbraw/zinc/43/13/75/1079431375.db2.gz ZROBXSCQLDOULY-SFHVURJKSA-N 0 3 420.985 2.221 20 0 HEADHN Cc1ccc([C@](O)(CC(=O)NC(C)(C)CCN2CCN(C)CC2)C(F)(F)F)o1 ZINC000771663301 1079432072 /nfs/dbraw/zinc/43/20/72/1079432072.db2.gz LJDPARLXPYZCDO-GOSISDBHSA-N 0 3 405.461 2.260 20 0 HEADHN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C2CCC(S(C)(=O)=O)CC2)cs1 ZINC001169879813 1079453009 /nfs/dbraw/zinc/45/30/09/1079453009.db2.gz GDMWXSLRSJQMDV-OPQOLIRYSA-N 0 3 411.593 2.373 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)CC1 ZINC001169879861 1079453758 /nfs/dbraw/zinc/45/37/58/1079453758.db2.gz ICBKYSHJEFFAJE-UHFFFAOYSA-N 0 3 405.564 2.366 20 0 HEADHN CS(=O)(=O)C1CCC(N2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)CC1 ZINC001169881486 1079456062 /nfs/dbraw/zinc/45/60/62/1079456062.db2.gz VORGATQXSFJCPP-XABBQPORSA-N 0 3 406.592 2.360 20 0 HEADHN CCOC(=O)c1nnc(C2CC[NH+](CCC3CN(C(=O)OC(C)(C)C)C3)CC2)[n-]1 ZINC001169862094 1079461201 /nfs/dbraw/zinc/46/12/01/1079461201.db2.gz DLIXRAKTNXFTLY-UHFFFAOYSA-N 0 3 407.515 2.418 20 0 HEADHN CCOC(=O)c1n[n-]c(C2CC[NH+](CCC3CN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC001169862094 1079461205 /nfs/dbraw/zinc/46/12/05/1079461205.db2.gz DLIXRAKTNXFTLY-UHFFFAOYSA-N 0 3 407.515 2.418 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCCc3ccc(O)cc3)cc2)CC1 ZINC000737315081 1075906693 /nfs/dbraw/zinc/90/66/93/1075906693.db2.gz YLAZNCWEAGJZNW-UHFFFAOYSA-N 0 3 410.518 2.222 20 0 HEADHN Cc1ccc(-c2nn(CN3CCN(C(=O)CN4CCCC4)CC3)c(=S)n2C)cc1 ZINC000738160183 1075970690 /nfs/dbraw/zinc/97/06/90/1075970690.db2.gz GKXOQVNRJBREBN-UHFFFAOYSA-N 0 3 414.579 2.124 20 0 HEADHN C[C@@H](c1ccccc1)n1cnn(CN2CCN(C(=O)CN3CCCC3)CC2)c1=S ZINC000738161821 1075971236 /nfs/dbraw/zinc/97/12/36/1075971236.db2.gz VFFYJMLXEXYXHW-SFHVURJKSA-N 0 3 414.579 2.221 20 0 HEADHN Cc1ncsc1CN(C)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000738161842 1075971259 /nfs/dbraw/zinc/97/12/59/1075971259.db2.gz VNRMFHOPNRAUCU-NRFANRHFSA-N 0 3 413.547 2.427 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739089991 1076043720 /nfs/dbraw/zinc/04/37/20/1076043720.db2.gz RTPGNKISTFQAEL-CHWSQXEVSA-N 0 3 417.453 2.101 20 0 HEADHN CC(C)n1ccc(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC000740751263 1076234211 /nfs/dbraw/zinc/23/42/11/1076234211.db2.gz XKXZGWMLDLUIMW-FQEVSTJZSA-N 0 3 410.566 2.462 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000740804123 1076243906 /nfs/dbraw/zinc/24/39/06/1076243906.db2.gz ZDCGQLUDHLKMFU-PGRDOPGGSA-N 0 3 419.529 2.230 20 0 HEADHN C[C@H]1NC(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)=NN(c2ccccc2)C1=O ZINC000740847054 1076266464 /nfs/dbraw/zinc/26/64/64/1076266464.db2.gz MDXHVNSRQBTWML-RBUKOAKNSA-N 0 3 419.529 2.448 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C)cc2)CC1 ZINC000741104416 1076376966 /nfs/dbraw/zinc/37/69/66/1076376966.db2.gz BRCLGJNTMOPHOY-QFIPXVFZSA-N 0 3 404.555 2.070 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000741431469 1076524631 /nfs/dbraw/zinc/52/46/31/1076524631.db2.gz GBVMLIBOXAINJB-SFHVURJKSA-N 0 3 410.559 2.044 20 0 HEADHN CN(C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)[C@@H]1CCCN(C)C1 ZINC000741626531 1076570602 /nfs/dbraw/zinc/57/06/02/1076570602.db2.gz YRNLUHLUVSKGDM-VMTBQTDASA-N 0 3 405.564 2.252 20 0 HEADHN CC(C)c1ccc(N2CC[C@H](C(=O)N(C)CCCN3CCN(C)CC3)C2=O)cc1 ZINC000741690133 1076587708 /nfs/dbraw/zinc/58/77/08/1076587708.db2.gz HCCDGRCXADCBAF-OAQYLSRUSA-N 0 3 400.567 2.259 20 0 HEADHN C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742164465 1076761258 /nfs/dbraw/zinc/76/12/58/1076761258.db2.gz ZZHXQRAWRDKVNS-YLJYHZDGSA-N 0 3 418.335 2.369 20 0 HEADHN Cc1ccc(C)c([C@H]2CN(CN3C(=O)NC4(CCN(C)CC4)C3=O)[C@H](C)CO2)c1 ZINC000742169010 1076762863 /nfs/dbraw/zinc/76/28/63/1076762863.db2.gz AHXVHPWVJLMBIK-IEBWSBKVSA-N 0 3 400.523 2.039 20 0 HEADHN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742162836 1076772772 /nfs/dbraw/zinc/77/27/72/1076772772.db2.gz KESMOMUHCSCTGR-QFBILLFUSA-N 0 3 419.323 2.120 20 0 HEADHN C[C@]1(c2ccccc2Br)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742162238 1076773492 /nfs/dbraw/zinc/77/34/92/1076773492.db2.gz DLAMESJLGFYDHH-IFXJQAMLSA-N 0 3 419.323 2.120 20 0 HEADHN CCOC(=O)N[C@H]1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000742246146 1076805569 /nfs/dbraw/zinc/80/55/69/1076805569.db2.gz YWAUHBOUSGJOIP-IBGZPJMESA-N 0 3 402.539 2.244 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](CS(=O)(=O)NCCCN2CCCC2)C1 ZINC000742271956 1076807097 /nfs/dbraw/zinc/80/70/97/1076807097.db2.gz PUGVDBJFHWMIHQ-HXUWFJFHSA-N 0 3 423.579 2.441 20 0 HEADHN CCN1CCC[C@@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742286260 1076816752 /nfs/dbraw/zinc/81/67/52/1076816752.db2.gz HZFVGXGGGUTOSW-PMACEKPBSA-N 0 3 423.579 2.439 20 0 HEADHN CN1CCC[C@@H](CNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293430 1076819896 /nfs/dbraw/zinc/81/98/96/1076819896.db2.gz HCTJTALIQSYVJF-PMACEKPBSA-N 0 3 423.579 2.296 20 0 HEADHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742297078 1076820887 /nfs/dbraw/zinc/82/08/87/1076820887.db2.gz VJZABIKXELMQGX-VQTJNVASSA-N 0 3 423.579 2.391 20 0 HEADHN CCCCN(C)CCNS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742296419 1076821071 /nfs/dbraw/zinc/82/10/71/1076821071.db2.gz WYPITHNHFSFSJG-LJQANCHMSA-N 0 3 411.568 2.439 20 0 HEADHN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000742598112 1076854643 /nfs/dbraw/zinc/85/46/43/1076854643.db2.gz DEAAJFHEDNNNJV-HZPDHXFCSA-N 0 3 411.531 2.448 20 0 HEADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742658179 1076861207 /nfs/dbraw/zinc/86/12/07/1076861207.db2.gz KNRDHDXCHYPFHD-HXUWFJFHSA-N 0 3 418.582 2.391 20 0 HEADHN C[C@@H]1NC(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742791042 1076879610 /nfs/dbraw/zinc/87/96/10/1076879610.db2.gz JTOUMGPTQZICAB-PXNSSMCTSA-N 0 3 405.502 2.058 20 0 HEADHN CC(C)[C@@H](CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000742833845 1076885393 /nfs/dbraw/zinc/88/53/93/1076885393.db2.gz IVQAZOCHTBBUEP-LJQANCHMSA-N 0 3 410.603 2.412 20 0 HEADHN C[C@@H](CNC(=S)NCc1ccc(OC(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000742991580 1076914551 /nfs/dbraw/zinc/91/45/51/1076914551.db2.gz BFSDDNSFITWZKK-AWEZNQCLSA-N 0 3 404.502 2.433 20 0 HEADHN C[C@@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)CN1CCN(C)CC1 ZINC000743086688 1076956239 /nfs/dbraw/zinc/95/62/39/1076956239.db2.gz NUQNFHDLBHZRAG-HNNXBMFYSA-N 0 3 407.946 2.472 20 0 HEADHN CC(C)OC(=O)NCc1ccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000743157764 1076970870 /nfs/dbraw/zinc/97/08/70/1076970870.db2.gz FLDYKRHLBMDCEG-KRWDZBQOSA-N 0 3 405.543 2.326 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000743141217 1076974913 /nfs/dbraw/zinc/97/49/13/1076974913.db2.gz XVVPAOXNCZZRLN-KRWDZBQOSA-N 0 3 407.534 2.057 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743187096 1077002151 /nfs/dbraw/zinc/00/21/51/1077002151.db2.gz SASFEQSXDZPKRS-UHFFFAOYSA-N 0 3 419.595 2.258 20 0 HEADHN CCN1CCN(c2ccc(C(=O)Nc3cccnc3N3CCC(O)CC3)cc2)CC1 ZINC000743332603 1077029841 /nfs/dbraw/zinc/02/98/41/1077029841.db2.gz HZTWMRNWYYKRJM-UHFFFAOYSA-N 0 3 409.534 2.437 20 0 HEADHN CC[C@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCS1 ZINC000743399543 1077042770 /nfs/dbraw/zinc/04/27/70/1077042770.db2.gz BJXWVGRGJFGUBZ-GHTZIAJQSA-N 0 3 402.564 2.358 20 0 HEADHN CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000743766276 1077119087 /nfs/dbraw/zinc/11/90/87/1077119087.db2.gz WFFBRBHUJBBRLQ-DEOSSOPVSA-N 0 3 407.514 2.426 20 0 HEADHN Cc1nc2cc(NC(=O)C(=O)N(CCc3ccccc3)CCN(C)C)ccc2n1C ZINC000743890451 1077185358 /nfs/dbraw/zinc/18/53/58/1077185358.db2.gz YQNDOUXGKDENEP-UHFFFAOYSA-N 0 3 407.518 2.453 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000743915632 1077193892 /nfs/dbraw/zinc/19/38/92/1077193892.db2.gz ZWIZGJXGGGHZRZ-RDJZCZTQSA-N 0 3 405.470 2.065 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)N1CCCCC1 ZINC000743895746 1077207305 /nfs/dbraw/zinc/20/73/05/1077207305.db2.gz UAQSXYMQCGMJNB-MRXNPFEDSA-N 0 3 409.490 2.263 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000743978716 1077291570 /nfs/dbraw/zinc/29/15/70/1077291570.db2.gz NMLSCKYNNSHTPK-SFHVURJKSA-N 0 3 422.529 2.198 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1NC(=O)c1ccncc1 ZINC000743979456 1077292559 /nfs/dbraw/zinc/29/25/59/1077292559.db2.gz GGGFRPRIDDXSPE-INIZCTEOSA-N 0 3 409.490 2.181 20 0 HEADHN NC(=O)c1ccc(NC(=O)CCN2CCc3c(cccc3N3CCOC3=O)C2)cc1 ZINC000744414852 1077377757 /nfs/dbraw/zinc/37/77/57/1077377757.db2.gz SGKKEPIZNLRAJZ-UHFFFAOYSA-N 0 3 408.458 2.129 20 0 HEADHN CC[NH+](CC)[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[n-]2)C1 ZINC000744423707 1077387025 /nfs/dbraw/zinc/38/70/25/1077387025.db2.gz LOPBEVIRQUEHPQ-CQSZACIVSA-N 0 3 422.551 2.012 20 0 HEADHN CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC000745088401 1077725387 /nfs/dbraw/zinc/72/53/87/1077725387.db2.gz NKTWPNJVRSYFHB-JBACZVJFSA-N 0 3 401.551 2.429 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000771762066 1079516011 /nfs/dbraw/zinc/51/60/11/1079516011.db2.gz DZPSSMRQSQLETH-ZCNNSNEGSA-N 0 3 417.575 2.292 20 0 HEADHN CCOC(=O)C1=C(CN[C@H](CCO)C2CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000771802920 1079537472 /nfs/dbraw/zinc/53/74/72/1079537472.db2.gz YVHICGWXMPZDJN-QAPCUYQASA-N 0 3 407.898 2.262 20 0 HEADHN CCOC(=O)C1=C(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@H]1C ZINC000766964949 1079560590 /nfs/dbraw/zinc/56/05/90/1079560590.db2.gz BBYFGORKNNCQMJ-ULQDDVLXSA-N 0 3 400.523 2.100 20 0 HEADHN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000771952939 1079601023 /nfs/dbraw/zinc/60/10/23/1079601023.db2.gz KUMDRCLREDKLDE-ZWKOTPCHSA-N 0 3 411.591 2.101 20 0 HEADHN C[C@@H](CNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@H](C)C1 ZINC000767081537 1079653304 /nfs/dbraw/zinc/65/33/04/1079653304.db2.gz RCOVSUALCFMKPL-HOTGVXAUSA-N 0 3 403.589 2.426 20 0 HEADHN CNC(=O)COc1cccc(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c1 ZINC000772032885 1079658170 /nfs/dbraw/zinc/65/81/70/1079658170.db2.gz MPFVMRBRXLBRNF-IFMALSPDSA-N 0 3 407.514 2.497 20 0 HEADHN O=C(CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O)NC1CCCCCCC1 ZINC000767141038 1079679946 /nfs/dbraw/zinc/67/99/46/1079679946.db2.gz LWHOQMBCXLPINT-QHCPKHFHSA-N 0 3 412.534 2.412 20 0 HEADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)c3ccccc3)C2=O)cc1 ZINC000746528218 1079719687 /nfs/dbraw/zinc/71/96/87/1079719687.db2.gz LFSLHWTVKAIUDS-QHCPKHFHSA-N 0 3 424.501 2.057 20 0 HEADHN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000767353564 1079826789 /nfs/dbraw/zinc/82/67/89/1079826789.db2.gz GFHMDWVQGDKQQH-ZCNNSNEGSA-N 0 3 403.523 2.307 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1ccc(F)c(F)c1 ZINC000767361221 1079828655 /nfs/dbraw/zinc/82/86/55/1079828655.db2.gz NZSQBAFBJZYWDD-GHTZIAJQSA-N 0 3 401.413 2.195 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)cc2)CC1 ZINC000772349457 1079838666 /nfs/dbraw/zinc/83/86/66/1079838666.db2.gz WFWYJWLMTPQESO-UYAOXDASSA-N 0 3 402.539 2.087 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCO[C@H](C(C)C)C3)cc2)CC1 ZINC000772349455 1079838732 /nfs/dbraw/zinc/83/87/32/1079838732.db2.gz WFWYJWLMTPQESO-QUCCMNQESA-N 0 3 402.539 2.087 20 0 HEADHN COC(=O)C1=C(CN(C)CCCn2ccnc2C)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000767448992 1079875486 /nfs/dbraw/zinc/87/54/86/1079875486.db2.gz JZJRTUFNEIEEHW-HXUWFJFHSA-N 0 3 411.506 2.337 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000772487550 1079902871 /nfs/dbraw/zinc/90/28/71/1079902871.db2.gz IAAYCMMTTCRNDQ-DLBZAZTESA-N 0 3 412.515 2.151 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3c(O)cccc3F)cc2)CC1 ZINC000772581826 1079941875 /nfs/dbraw/zinc/94/18/75/1079941875.db2.gz VCZBSQFRVGODAI-UHFFFAOYSA-N 0 3 401.438 2.469 20 0 HEADHN CC[C@]1(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000772633146 1079991703 /nfs/dbraw/zinc/99/17/03/1079991703.db2.gz PTALGESZMSAVPX-HTAPYJJXSA-N 0 3 422.570 2.107 20 0 HEADHN CC[C@@]1(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000772633149 1079991921 /nfs/dbraw/zinc/99/19/21/1079991921.db2.gz PTALGESZMSAVPX-VGSWGCGISA-N 0 3 422.570 2.107 20 0 HEADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772633501 1079993552 /nfs/dbraw/zinc/99/35/52/1079993552.db2.gz QDIWHCQDZISFGL-SJORKVTESA-N 0 3 414.333 2.358 20 0 HEADHN CC(C)[C@@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000785504388 1080025264 /nfs/dbraw/zinc/02/52/64/1080025264.db2.gz HRAVSDHBVBLZKA-OXJNMPFZSA-N 0 3 403.523 2.262 20 0 HEADHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000785582313 1080059798 /nfs/dbraw/zinc/05/97/98/1080059798.db2.gz GCDINQGLXYBOQA-KRWDZBQOSA-N 0 3 411.550 2.155 20 0 HEADHN CC(C)N1CCC(NC(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CC1 ZINC000767795524 1080098183 /nfs/dbraw/zinc/09/81/83/1080098183.db2.gz ZFCPNAIYDUQSFZ-ALOPSCKCSA-N 0 3 407.555 2.438 20 0 HEADHN Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(CN3CCC(CO)CC3)cc2)on1 ZINC000785710848 1080219079 /nfs/dbraw/zinc/21/90/79/1080219079.db2.gz GAGLWBVFBCLNAC-HNNXBMFYSA-N 0 3 401.463 2.371 20 0 HEADHN NC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785713329 1080221569 /nfs/dbraw/zinc/22/15/69/1080221569.db2.gz LLCIDPYAKNQZKF-NRFANRHFSA-N 0 3 414.477 2.283 20 0 HEADHN CCN(CCn1cccn1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049869 1080231380 /nfs/dbraw/zinc/23/13/80/1080231380.db2.gz GEKWEFSJMSZYTE-SJORKVTESA-N 0 3 423.583 2.116 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(COCC(F)(F)F)cc1)N1CCCCC1 ZINC000785880303 1080273172 /nfs/dbraw/zinc/27/31/72/1080273172.db2.gz LLDDEURPIPXQKK-HNNXBMFYSA-N 0 3 415.456 2.372 20 0 HEADHN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000768033042 1080276559 /nfs/dbraw/zinc/27/65/59/1080276559.db2.gz ZODDJZGTXUOYDI-CVEARBPZSA-N 0 3 407.511 2.272 20 0 HEADHN CN1CCN(CCCNC(=O)[C@@]2(O)CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000785842877 1080277094 /nfs/dbraw/zinc/27/70/94/1080277094.db2.gz QGSKHLBYEJEVTF-UKILVPOCSA-N 0 3 407.558 2.401 20 0 HEADHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)N(C)C ZINC000786025488 1080339997 /nfs/dbraw/zinc/33/99/97/1080339997.db2.gz OMDLZIQXDPJPPJ-DYESRHJHSA-N 0 3 420.517 2.381 20 0 HEADHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)N(C)C ZINC000786026168 1080340249 /nfs/dbraw/zinc/34/02/49/1080340249.db2.gz SIWGKOADMICUNH-OXQOHEQNSA-N 0 3 406.490 2.322 20 0 HEADHN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000785984040 1080345171 /nfs/dbraw/zinc/34/51/71/1080345171.db2.gz CBWBHKLJQPKYNK-INIZCTEOSA-N 0 3 400.523 2.064 20 0 HEADHN COCCN(C)CCOc1cccc(CNC(=O)[C@@]2(O)CCc3ccccc3C2)c1 ZINC000786084426 1080387729 /nfs/dbraw/zinc/38/77/29/1080387729.db2.gz XHQTWGCQAFMDLL-XMMPIXPASA-N 0 3 412.530 2.180 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC000768201252 1080392535 /nfs/dbraw/zinc/39/25/35/1080392535.db2.gz RUQDPVLMPFOCRF-OAQYLSRUSA-N 0 3 416.566 2.309 20 0 HEADHN COCCNC(=O)C1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 ZINC000768240022 1080413770 /nfs/dbraw/zinc/41/37/70/1080413770.db2.gz YUJQOKCWMVEWND-UHFFFAOYSA-N 0 3 412.534 2.046 20 0 HEADHN C[C@@H](N[C@@H](C)CC(F)(F)F)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000768270803 1080452442 /nfs/dbraw/zinc/45/24/42/1080452442.db2.gz CXBXCPFILPIOCH-WDEREUQCSA-N 0 3 402.460 2.404 20 0 HEADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768271796 1080453534 /nfs/dbraw/zinc/45/35/34/1080453534.db2.gz LSACFIGWNNGXME-MJGOQNOKSA-N 0 3 420.554 2.351 20 0 HEADHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768294390 1080466859 /nfs/dbraw/zinc/46/68/59/1080466859.db2.gz RAADCVDRRKEJDZ-DHVPZBTDSA-N 0 3 419.566 2.391 20 0 HEADHN C[C@@H]1C[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC000768398288 1080524454 /nfs/dbraw/zinc/52/44/54/1080524454.db2.gz MQFDSXARYRXJBD-MJGOQNOKSA-N 0 3 420.554 2.178 20 0 HEADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768387091 1080536682 /nfs/dbraw/zinc/53/66/82/1080536682.db2.gz CSJQRKYIUIEBMK-HXUWFJFHSA-N 0 3 420.517 2.093 20 0 HEADHN C[C@H]1CC(=O)N[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccc(F)cc2)C1 ZINC001109301661 1080583001 /nfs/dbraw/zinc/58/30/01/1080583001.db2.gz IDNRLZIBGXZXEL-ULKVZQIESA-N 0 3 403.498 2.231 20 0 HEADHN CCNS(=O)(=O)CCN[C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581822 1080671349 /nfs/dbraw/zinc/67/13/49/1080671349.db2.gz WJRQDEJMQXFOIL-MRXNPFEDSA-N 0 3 405.358 2.446 20 0 HEADHN C[C@@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000786601562 1080703202 /nfs/dbraw/zinc/70/32/02/1080703202.db2.gz FYJOWYOSHDGNJV-AWEZNQCLSA-N 0 3 401.898 2.088 20 0 HEADHN CN(C)CCN(CCCc1ccccc1)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786601408 1080703258 /nfs/dbraw/zinc/70/32/58/1080703258.db2.gz GIXLDKKEBUFFLT-UHFFFAOYSA-N 0 3 402.926 2.374 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000786712480 1080766239 /nfs/dbraw/zinc/76/62/39/1080766239.db2.gz HVDLGUCOVAUNCM-SFHVURJKSA-N 0 3 419.551 2.022 20 0 HEADHN COC(=O)c1ccc(CNC(=O)[C@@H](C)OC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786826067 1080826727 /nfs/dbraw/zinc/82/67/27/1080826727.db2.gz OMORTOOAUJQDJP-QGZVFWFLSA-N 0 3 424.497 2.470 20 0 HEADHN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000768897553 1080837275 /nfs/dbraw/zinc/83/72/75/1080837275.db2.gz OEXXMCFUSWGVFI-XZOQPEGZSA-N 0 3 423.557 2.467 20 0 HEADHN CCN1CCN([C@@H](C)CNS(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000786869681 1080862724 /nfs/dbraw/zinc/86/27/24/1080862724.db2.gz ZBVVVPZVAVJYFS-BLMSOEDDSA-N 0 3 416.385 2.365 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000786903232 1080876689 /nfs/dbraw/zinc/87/66/89/1080876689.db2.gz WSTZMDIZLUBBKR-SFHVURJKSA-N 0 3 414.550 2.317 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001169998388 1080892967 /nfs/dbraw/zinc/89/29/67/1080892967.db2.gz MNGNNGFUARBPMW-QGZVFWFLSA-N 0 3 413.559 2.020 20 0 HEADHN Cn1cc(-c2cc(COC(=O)C3CCN(c4ccc(F)c(F)c4)C3=O)on2)cn1 ZINC000769090428 1080900504 /nfs/dbraw/zinc/90/05/04/1080900504.db2.gz IRTLCRCUBNOQBJ-AWEZNQCLSA-N 0 3 402.357 2.450 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000769097566 1080906840 /nfs/dbraw/zinc/90/68/40/1080906840.db2.gz JJZIXITYICKTSW-NXHRZFHOSA-N 0 3 415.456 2.019 20 0 HEADHN CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC001169998726 1080921212 /nfs/dbraw/zinc/92/12/12/1080921212.db2.gz MUFHXZQQFASHOF-SFHVURJKSA-N 0 3 402.601 2.331 20 0 HEADHN O=C(CCNS(=O)(=O)c1ccccc1)OCC1CCN(Cc2ccco2)CC1 ZINC000772693042 1080941078 /nfs/dbraw/zinc/94/10/78/1080941078.db2.gz ZRLQKEKBLYCXCI-UHFFFAOYSA-N 0 3 406.504 2.403 20 0 HEADHN CN(CCNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC000769143581 1080958262 /nfs/dbraw/zinc/95/82/62/1080958262.db2.gz NKNDSUNNMXOPDQ-UHFFFAOYSA-N 0 3 404.555 2.224 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCOC4(CCOCC4)CC3)cc2)CC1 ZINC000769228596 1081009128 /nfs/dbraw/zinc/00/91/28/1081009128.db2.gz CVJCQZMLILBMTD-UHFFFAOYSA-N 0 3 416.566 2.039 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000769253231 1081017802 /nfs/dbraw/zinc/01/78/02/1081017802.db2.gz LWXYEYAFECUFHK-CYBMUJFWSA-N 0 3 409.412 2.430 20 0 HEADHN Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000769258258 1081019297 /nfs/dbraw/zinc/01/92/97/1081019297.db2.gz ABAVZPJZBKLVSC-MRXNPFEDSA-N 0 3 401.486 2.308 20 0 HEADHN CCN1CCN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)CC1 ZINC000769321283 1081042153 /nfs/dbraw/zinc/04/21/53/1081042153.db2.gz ZVCZJNURTFCLMZ-NRFANRHFSA-N 0 3 401.551 2.227 20 0 HEADHN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)CN1CN1CCC(CN2CCOCC2)CC1 ZINC000787217312 1081052570 /nfs/dbraw/zinc/05/25/70/1081052570.db2.gz YGXNTCAKHBYQRO-QGZVFWFLSA-N 0 3 411.468 2.422 20 0 HEADHN CN(CC(=O)NC[C@@H]1COc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746662045 1081055192 /nfs/dbraw/zinc/05/51/92/1081055192.db2.gz WPTDXUWIORMBTF-QGZVFWFLSA-N 0 3 419.522 2.274 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H]1CCO[C@]2(CCSC2)C1 ZINC000769423006 1081068935 /nfs/dbraw/zinc/06/89/35/1081068935.db2.gz ITVVUHOCTRTUPD-JJRVBVJISA-N 0 3 420.000 2.349 20 0 HEADHN CCCn1c(=O)cc(Nc2cccc3cc([C@@H]4CNCCO4)cn32)n(CCC)c1=O ZINC001170006558 1081078988 /nfs/dbraw/zinc/07/89/88/1081078988.db2.gz INNAHJFGDOGLQY-SFHVURJKSA-N 0 3 411.506 2.487 20 0 HEADHN COc1cc(CNC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1OC(C)C ZINC000787239440 1081085538 /nfs/dbraw/zinc/08/55/38/1081085538.db2.gz LPZBHVZRYHCDGT-IRXDYDNUSA-N 0 3 405.539 2.335 20 0 HEADHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(N(C)C)nc(Cl)n2)c2c1CCNC2 ZINC001164680182 719650372 /nfs/dbraw/zinc/65/03/72/719650372.db2.gz RSMSJILMXJJOGD-UHFFFAOYSA-N 0 3 413.904 2.476 20 0 HEADHN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164682711 719692218 /nfs/dbraw/zinc/69/22/18/719692218.db2.gz CYGURJLZQZWPQU-SFHVURJKSA-N 0 3 424.549 2.202 20 0 HEADHN CCOC(=O)c1cnc(Cl)c(C)c1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164684679 719724186 /nfs/dbraw/zinc/72/41/86/719724186.db2.gz JJMOGNHWLLULSA-UHFFFAOYSA-N 0 3 408.930 2.401 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1cc([C@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164690156 719737974 /nfs/dbraw/zinc/73/79/74/719737974.db2.gz UOIPCTUNVWFNJX-LJQANCHMSA-N 0 3 414.550 2.319 20 0 HEADHN COCc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164740888 720625284 /nfs/dbraw/zinc/62/52/84/720625284.db2.gz JPBHZYPKAOTGTH-VQTJNVASSA-N 0 3 418.501 2.422 20 0 HEADHN COc1cc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2cc1OC ZINC001164743677 720720780 /nfs/dbraw/zinc/72/07/80/720720780.db2.gz XTKSHZZTJFHQKO-DLBZAZTESA-N 0 3 407.474 2.384 20 0 HEADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc1-2 ZINC001164738319 720741069 /nfs/dbraw/zinc/74/10/69/720741069.db2.gz FTYRKVMTEJUGIJ-OALUTQOASA-N 0 3 400.486 2.374 20 0 HEADHN COc1ccccc1-c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164742932 720769949 /nfs/dbraw/zinc/76/99/49/720769949.db2.gz POOYKEYSOCAINH-IRXDYDNUSA-N 0 3 404.474 2.284 20 0 HEADHN COc1ccc(-c2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164745244 720773634 /nfs/dbraw/zinc/77/36/34/720773634.db2.gz UCAOWFJZIZKECK-PKOBYXMFSA-N 0 3 404.474 2.284 20 0 HEADHN c1cc(-c2nc3c(c(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)n2)CCC3)ccn1 ZINC001164743526 720788301 /nfs/dbraw/zinc/78/83/01/720788301.db2.gz GMTXKSZVTYSYPD-MSOLQXFVSA-N 0 3 415.501 2.159 20 0 HEADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)s1 ZINC001164746039 720795215 /nfs/dbraw/zinc/79/52/15/720795215.db2.gz LLKRKGUVFVLIEI-HOTGVXAUSA-N 0 3 409.519 2.349 20 0 HEADHN O=C(NCCc1ccccc1)[C@@]12COC[C@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164848022 720817482 /nfs/dbraw/zinc/81/74/82/720817482.db2.gz BMZUOGSLPDLLGX-RDGATRHJSA-N 0 3 420.557 2.489 20 0 HEADHN COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]2C1 ZINC001164860915 720869139 /nfs/dbraw/zinc/86/91/39/720869139.db2.gz XHMGDARGILAERZ-VXGBXAGGSA-N 0 3 408.902 2.137 20 0 HEADHN COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]2C1 ZINC001164860915 720869140 /nfs/dbraw/zinc/86/91/40/720869140.db2.gz XHMGDARGILAERZ-VXGBXAGGSA-N 0 3 408.902 2.137 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@@H]12 ZINC001164773784 721068114 /nfs/dbraw/zinc/06/81/14/721068114.db2.gz YKJBSNISTNJFAC-SBHAEUEKSA-N 0 3 409.534 2.182 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164864988 721087164 /nfs/dbraw/zinc/08/71/64/721087164.db2.gz HWIUCXQAKNQBPP-ZWKOTPCHSA-N 0 3 410.522 2.336 20 0 HEADHN COC(=O)c1ccc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164763686 721089520 /nfs/dbraw/zinc/08/95/20/721089520.db2.gz GRCXNJFVFQDVDC-MSOLQXFVSA-N 0 3 406.490 2.108 20 0 HEADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865129 721118464 /nfs/dbraw/zinc/11/84/64/721118464.db2.gz INOSHPPSDDGGIP-WOJBJXKFSA-N 0 3 409.534 2.485 20 0 HEADHN COC(=O)CSc1cccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880973 721125840 /nfs/dbraw/zinc/12/58/40/721125840.db2.gz YLGBUGACVBQTEI-ROUUACIJSA-N 0 3 414.531 2.221 20 0 HEADHN CCOC(=O)c1cnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc1OCC ZINC001164766398 721127639 /nfs/dbraw/zinc/12/76/39/721127639.db2.gz KZOJDVFPGCPXSG-ROUUACIJSA-N 0 3 413.522 2.349 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1C ZINC001164877646 721136969 /nfs/dbraw/zinc/13/69/69/721136969.db2.gz PMTVWSSSYNSJPE-HOTGVXAUSA-N 0 3 413.913 2.200 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]c-2n1 ZINC001164764039 721166584 /nfs/dbraw/zinc/16/65/84/721166584.db2.gz GCKFFUAKZPLBBE-ROUUACIJSA-N 0 3 408.506 2.431 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2[nH]1 ZINC001164764039 721166596 /nfs/dbraw/zinc/16/65/96/721166596.db2.gz GCKFFUAKZPLBBE-ROUUACIJSA-N 0 3 408.506 2.431 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1C ZINC001164764124 721190872 /nfs/dbraw/zinc/19/08/72/721190872.db2.gz GHYVSLPNMGGQIK-CABCVRRESA-N 0 3 400.918 2.017 20 0 HEADHN CN(Cc1ccc(N2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871132 721215774 /nfs/dbraw/zinc/21/57/74/721215774.db2.gz IERYMLRATJEGCH-FDDCHVKYSA-N 0 3 422.533 2.024 20 0 HEADHN CN(Cc1ccc(N2CC[C@@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871134 721216216 /nfs/dbraw/zinc/21/62/16/721216216.db2.gz IERYMLRATJEGCH-JPYJTQIMSA-N 0 3 422.533 2.024 20 0 HEADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164778304 721324571 /nfs/dbraw/zinc/32/45/71/721324571.db2.gz OWAOJJKOXXVRFM-UHFFFAOYSA-N 0 3 420.517 2.331 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NC1CC1 ZINC001164890874 721379162 /nfs/dbraw/zinc/37/91/62/721379162.db2.gz OSJHMCGSHFKGJW-SIKLNZKXSA-N 0 3 400.571 2.125 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)c3cccnc3)C2)nc1)C1CC1 ZINC001164786091 721381747 /nfs/dbraw/zinc/38/17/47/721381747.db2.gz SLPDFEHJCSVHFY-RRPUWOKSSA-N 0 3 421.545 2.485 20 0 HEADHN COC(OC)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164898765 721426762 /nfs/dbraw/zinc/42/67/62/721426762.db2.gz WWUGFEJUJUJTMI-WMZHIEFXSA-N 0 3 418.582 2.447 20 0 HEADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)nc1)C1CC1 ZINC001164791867 721482690 /nfs/dbraw/zinc/48/26/90/721482690.db2.gz KCXIVWGSULWLBA-AABGKKOBSA-N 0 3 400.523 2.071 20 0 HEADHN COC(=O)c1cnc(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902078 721512903 /nfs/dbraw/zinc/51/29/03/721512903.db2.gz YYYJAFVAPOQEGO-UKRRQHHQSA-N 0 3 406.845 2.398 20 0 HEADHN CCOC(=O)Cc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906948 721538967 /nfs/dbraw/zinc/53/89/67/721538967.db2.gz MAPYLXZOFLHAMD-HKUYNNGSSA-N 0 3 400.454 2.063 20 0 HEADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905219 721541089 /nfs/dbraw/zinc/54/10/89/721541089.db2.gz GUUVAMCUHSJBHO-WBVHZDCISA-N 0 3 423.448 2.292 20 0 HEADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903064 721544075 /nfs/dbraw/zinc/54/40/75/721544075.db2.gz BYSJUXFENQPXRN-AZUAARDMSA-N 0 3 424.476 2.212 20 0 HEADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164903074 721549131 /nfs/dbraw/zinc/54/91/31/721549131.db2.gz CBVDVDOURHTXQM-GDBMZVCRSA-N 0 3 419.888 2.440 20 0 HEADHN CN(Cc1ccc(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914966 721795939 /nfs/dbraw/zinc/79/59/39/721795939.db2.gz SGWZBYRZMLCAFS-DEOSSOPVSA-N 0 3 423.561 2.179 20 0 HEADHN CN(Cc1ccc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc1)C1CC1 ZINC001164936312 721908919 /nfs/dbraw/zinc/90/89/19/721908919.db2.gz VJQFVKRHEBRSCX-UHFFFAOYSA-N 0 3 410.566 2.281 20 0 HEADHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164981161 722117266 /nfs/dbraw/zinc/11/72/66/722117266.db2.gz TZFRMHGSINKZMG-IRXDYDNUSA-N 0 3 401.536 2.329 20 0 HEADHN COC(=O)c1cc(F)c(C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971391 722118320 /nfs/dbraw/zinc/11/83/20/722118320.db2.gz BVNMDLISAXCDSQ-PXNSSMCTSA-N 0 3 414.481 2.438 20 0 HEADHN Cn1c(=O)ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164982027 722119767 /nfs/dbraw/zinc/11/97/67/722119767.db2.gz VTRQDRCLZQFVIY-PMACEKPBSA-N 0 3 405.502 2.056 20 0 HEADHN CCOC(=O)c1ncnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C ZINC001164981515 722124453 /nfs/dbraw/zinc/12/44/53/722124453.db2.gz UIPHCIZCLLEAKA-MOPGFXCFSA-N 0 3 411.506 2.084 20 0 HEADHN F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975312 722157224 /nfs/dbraw/zinc/15/72/24/722157224.db2.gz SCZNALNGQSVXOM-GJYPPUQNSA-N 0 3 407.877 2.380 20 0 HEADHN CC1(C)CCCN(CCNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)C1 ZINC000769706603 1078529625 /nfs/dbraw/zinc/52/96/25/1078529625.db2.gz BETXPLCSOLDRNG-UHFFFAOYSA-N 0 3 411.543 2.462 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000745622532 1078562668 /nfs/dbraw/zinc/56/26/68/1078562668.db2.gz NEKGBPOXFNRHGU-GOSISDBHSA-N 0 3 410.518 2.101 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000766334956 1078613069 /nfs/dbraw/zinc/61/30/69/1078613069.db2.gz CLRXODWGWHHTKC-ZDUSSCGKSA-N 0 3 402.442 2.072 20 0 HEADHN COCCN1CCC(NC(=O)N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000745780012 1078639756 /nfs/dbraw/zinc/63/97/56/1078639756.db2.gz GWQHIFFPTUOUGQ-WMZOPIPTSA-N 0 3 412.575 2.480 20 0 HEADHN C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000745783173 1078642014 /nfs/dbraw/zinc/64/20/14/1078642014.db2.gz ZDGCZCMCIKIQRE-APWZRJJASA-N 0 3 404.511 2.456 20 0 HEADHN CC(C)OCCN1CCC(NC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769943925 1078647665 /nfs/dbraw/zinc/64/76/65/1078647665.db2.gz XQIJAZYMQYDWDS-UHFFFAOYSA-N 0 3 410.316 2.111 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796588 1078651145 /nfs/dbraw/zinc/65/11/45/1078651145.db2.gz CBRNVWYWQLMKBM-ROUUACIJSA-N 0 3 412.575 2.386 20 0 HEADHN CCOC(=O)N1CC[C@H](NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000769955151 1078651314 /nfs/dbraw/zinc/65/13/14/1078651314.db2.gz IUSFPPGXFZLBMT-KRWDZBQOSA-N 0 3 403.527 2.489 20 0 HEADHN C[C@H](CNC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)CN1CCN(C)CC1 ZINC000745834021 1078660334 /nfs/dbraw/zinc/66/03/34/1078660334.db2.gz DFLGAYMEHPVWOP-WWDZGPRUSA-N 0 3 411.591 2.005 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745811611 1078656283 /nfs/dbraw/zinc/65/62/83/1078656283.db2.gz YFRSZJIXTIOJAJ-QZTJIDSGSA-N 0 3 412.575 2.386 20 0 HEADHN CC(C)N(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)CC1CCC1 ZINC000769927861 1078662111 /nfs/dbraw/zinc/66/21/11/1078662111.db2.gz PGFPHJHWHVOPRZ-JOCHJYFZSA-N 0 3 400.523 2.471 20 0 HEADHN C[C@H](CNC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl)CN1CCN(C)CC1 ZINC000745862965 1078678786 /nfs/dbraw/zinc/67/87/86/1078678786.db2.gz QRQUNRKUTCLCES-CZUORRHYSA-N 0 3 403.354 2.210 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000770058370 1078686532 /nfs/dbraw/zinc/68/65/32/1078686532.db2.gz XRBQUEHCOQACSD-IBGZPJMESA-N 0 3 408.568 2.260 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745945199 1078709733 /nfs/dbraw/zinc/70/97/33/1078709733.db2.gz SSJGDLOGQNFFQO-IAGOWNOFSA-N 0 3 408.495 2.154 20 0 HEADHN CN(C)CCn1c2cc(NC(=O)CC3CN(C(=O)OC(C)(C)C)C3)ccc2oc1=O ZINC000746019365 1078736381 /nfs/dbraw/zinc/73/63/81/1078736381.db2.gz ZYLQKUQBVKCWAC-UHFFFAOYSA-N 0 3 418.494 2.352 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000746041852 1078747978 /nfs/dbraw/zinc/74/79/78/1078747978.db2.gz KQHBFPZIBAQBPJ-UHFFFAOYSA-N 0 3 422.526 2.115 20 0 HEADHN COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049507 1078758310 /nfs/dbraw/zinc/75/83/10/1078758310.db2.gz QARQQWGFDIPBAI-XOBRGWDASA-N 0 3 408.520 2.338 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000770172619 1078767820 /nfs/dbraw/zinc/76/78/20/1078767820.db2.gz IRGBJKWPYSCFIC-QGZVFWFLSA-N 0 3 419.547 2.009 20 0 HEADHN CCOC(=O)N1CC[C@@H](Nc2cc(N[C@H]3CCN(C(=O)OCC)C3)nc(C)n2)C1 ZINC000770221504 1078772685 /nfs/dbraw/zinc/77/26/85/1078772685.db2.gz LGWFNRQKGZCTEW-GASCZTMLSA-N 0 3 406.487 2.070 20 0 HEADHN CCOC(=O)[C@@H]1CSCCN1C(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000746116236 1078794679 /nfs/dbraw/zinc/79/46/79/1078794679.db2.gz DFFKOKKVIPWSFF-IBGZPJMESA-N 0 3 405.564 2.014 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CC1=O ZINC000746165062 1078813634 /nfs/dbraw/zinc/81/36/34/1078813634.db2.gz KFYXTTIGDXUPSR-WMZOPIPTSA-N 0 3 422.367 2.393 20 0 HEADHN COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCC[C@@H](N(C)C)C2)c1 ZINC000770247961 1078810481 /nfs/dbraw/zinc/81/04/81/1078810481.db2.gz XECBIUFCEZFXAI-LLVKDONJSA-N 0 3 423.304 2.090 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1=O ZINC000746203384 1078817665 /nfs/dbraw/zinc/81/76/65/1078817665.db2.gz SUWKHGABVHQDFF-MRXNPFEDSA-N 0 3 416.522 2.333 20 0 HEADHN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746217709 1078824254 /nfs/dbraw/zinc/82/42/54/1078824254.db2.gz AGUSXMSEGGKXQB-YADHBBJMSA-N 0 3 423.513 2.105 20 0 HEADHN COCCN1CCC(NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000770329744 1078830164 /nfs/dbraw/zinc/83/01/64/1078830164.db2.gz ZPSICBCXYSRJFC-GOSISDBHSA-N 0 3 412.575 2.480 20 0 HEADHN O=C(CCn1nnc2ccccc2c1=O)O[C@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000770359514 1078830505 /nfs/dbraw/zinc/83/05/05/1078830505.db2.gz JLIXNDKWFBKXCY-FQEVSTJZSA-N 0 3 418.497 2.488 20 0 HEADHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000770337654 1078836061 /nfs/dbraw/zinc/83/60/61/1078836061.db2.gz TWZITQKTQVFOOM-SIKLNZKXSA-N 0 3 412.534 2.271 20 0 HEADHN Cc1ccc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170014395 1078842645 /nfs/dbraw/zinc/84/26/45/1078842645.db2.gz PLYOBKREFWACCW-IRXDYDNUSA-N 0 3 406.552 2.391 20 0 HEADHN COc1cc2c(cc1OC)CN(C(=O)CCC(=O)OCCN1CCCCC1)CC2 ZINC000770406006 1078843856 /nfs/dbraw/zinc/84/38/56/1078843856.db2.gz PSSLCYGCSKPPLX-UHFFFAOYSA-N 0 3 404.507 2.398 20 0 HEADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCOc2ccccc2C1 ZINC000746501459 1078847759 /nfs/dbraw/zinc/84/77/59/1078847759.db2.gz FNTQSPFYAKJEDM-DEOSSOPVSA-N 0 3 420.513 2.425 20 0 HEADHN Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001626110912 1078852121 /nfs/dbraw/zinc/85/21/21/1078852121.db2.gz GCKVRPAGBDLJDI-CQSZACIVSA-N 0 3 401.941 2.390 20 0 HEADHN CN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746358523 1078874380 /nfs/dbraw/zinc/87/43/80/1078874380.db2.gz CLRFTKVFOPLOSH-UNMCSNQZSA-N 0 3 419.529 2.230 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000770589325 1078898752 /nfs/dbraw/zinc/89/87/52/1078898752.db2.gz HZVTUGLTUKZAJZ-MSOLQXFVSA-N 0 3 411.591 2.101 20 0 HEADHN CC(C)CN1N=C(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCC1=O ZINC000766355740 1078910894 /nfs/dbraw/zinc/91/08/94/1078910894.db2.gz QFATWJXGNIONKK-UHFFFAOYSA-N 0 3 413.566 2.339 20 0 HEADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000766367774 1078921660 /nfs/dbraw/zinc/92/16/60/1078921660.db2.gz ZXNASBMMOHZBJZ-NRFANRHFSA-N 0 3 422.529 2.328 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766378227 1078927810 /nfs/dbraw/zinc/92/78/10/1078927810.db2.gz QFHLQAYSKROCQC-WOJBJXKFSA-N 0 3 403.523 2.262 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3ccc(Cl)nc3)c2)CC1 ZINC000770721172 1078948818 /nfs/dbraw/zinc/94/88/18/1078948818.db2.gz QXNWKQSTYYOVSY-UHFFFAOYSA-N 0 3 415.925 2.474 20 0 HEADHN NC(=O)c1ccsc1NC(=O)CCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770701264 1078968993 /nfs/dbraw/zinc/96/89/93/1078968993.db2.gz NGGSJZSYCVMWKV-UHFFFAOYSA-N 0 3 405.495 2.384 20 0 HEADHN COc1ccc([C@H](NCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C(C)C)cc1 ZINC001168785825 1078989984 /nfs/dbraw/zinc/98/99/84/1078989984.db2.gz TZWRPHAENZBNJO-GOSISDBHSA-N 0 3 403.445 2.461 20 0 HEADHN C[C@@H]1C[C@@H](N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859360 1079055273 /nfs/dbraw/zinc/05/52/73/1079055273.db2.gz RRNRTFBYTSHNQK-NCXUSEDFSA-N 0 3 417.554 2.402 20 0 HEADHN C[C@H]1C[C@@H](N2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168843927 1079051398 /nfs/dbraw/zinc/05/13/98/1079051398.db2.gz AUMRZHMPZMAIGK-NTZUZEMLSA-N 0 3 423.554 2.418 20 0 HEADHN C[C@H]1C[C@@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)CN1C(=O)OC(C)(C)C ZINC001168855081 1079053568 /nfs/dbraw/zinc/05/35/68/1079053568.db2.gz IRPLTXGHPZWCBK-XCDZQEORSA-N 0 3 423.554 2.275 20 0 HEADHN C[C@H]1C[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168862071 1079056844 /nfs/dbraw/zinc/05/68/44/1079056844.db2.gz COCMOMUHMIBXKE-DZGCQCFKSA-N 0 3 403.527 2.239 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(CCc4ccccn4)CC3)CC2=O)cc1 ZINC001168939141 1079080462 /nfs/dbraw/zinc/08/04/62/1079080462.db2.gz FZPJLWFKKGHLSC-JOCHJYFZSA-N 0 3 408.546 2.442 20 0 HEADHN CC(C)OC(=O)NCc1ccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000771155965 1079168674 /nfs/dbraw/zinc/16/86/74/1079168674.db2.gz AMICVUWELDLFDM-KRWDZBQOSA-N 0 3 405.543 2.469 20 0 HEADHN COc1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1N1CCOC1=O ZINC000771157541 1079172474 /nfs/dbraw/zinc/17/24/74/1079172474.db2.gz IPOBHJYBKHJLQT-UHFFFAOYSA-N 0 3 419.526 2.189 20 0 HEADHN Cc1cc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)ccc1N1C(=O)CCC1=O ZINC000771140438 1079189210 /nfs/dbraw/zinc/18/92/10/1079189210.db2.gz IFOTUWNLIDYODI-UHFFFAOYSA-N 0 3 415.538 2.186 20 0 HEADHN C[C@H]1CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000746505571 1079233728 /nfs/dbraw/zinc/23/37/28/1079233728.db2.gz KTLNCVYEHGIAKL-JTSKRJEESA-N 0 3 400.523 2.030 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)CO1 ZINC001169375132 1079245964 /nfs/dbraw/zinc/24/59/64/1079245964.db2.gz UMNUWLCNACGHHG-XMTFNYHQSA-N 0 3 412.527 2.055 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CO1 ZINC001169388798 1079259490 /nfs/dbraw/zinc/25/94/90/1079259490.db2.gz QJJPNQCAKPGCKN-RBUKOAKNSA-N 0 3 401.507 2.007 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169398945 1079272761 /nfs/dbraw/zinc/27/27/61/1079272761.db2.gz UBLCGOOKGUXZTD-DCXXXQMHSA-N 0 3 422.547 2.212 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CO1 ZINC001169400190 1079273951 /nfs/dbraw/zinc/27/39/51/1079273951.db2.gz YLYIBTOITLOWHT-VWFIUDSGSA-N 0 3 408.470 2.334 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CO1 ZINC001169393542 1079265654 /nfs/dbraw/zinc/26/56/54/1079265654.db2.gz SSOAWVFYAJPEPM-SULZWQDFSA-N 0 3 420.575 2.476 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)CO1 ZINC001169400426 1079274594 /nfs/dbraw/zinc/27/45/94/1079274594.db2.gz YXGKFQWWMLTLFD-VVSUKSJXSA-N 0 3 400.519 2.362 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCOC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)CO1 ZINC001169397380 1079269355 /nfs/dbraw/zinc/26/93/55/1079269355.db2.gz MOHRLXBLMMBBFW-SFHLNBCPSA-N 0 3 423.579 2.087 20 0 HEADHN CC(=O)N1CCC[C@@H](N[C@H](C)C(=O)N[C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001169598216 1079340024 /nfs/dbraw/zinc/34/00/24/1079340024.db2.gz VQKFWZLSVNJVFJ-WHSLLNHNSA-N 0 3 410.518 2.272 20 0 HEADHN C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000771509865 1079366044 /nfs/dbraw/zinc/36/60/44/1079366044.db2.gz QFWOGYBUCGODJD-LIRRHRJNSA-N 0 3 407.511 2.497 20 0 HEADHN CNC(=O)[C@@H](NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C)c1ccccc1 ZINC001169714805 1079382977 /nfs/dbraw/zinc/38/29/77/1079382977.db2.gz FFATXFFQOFTRHV-WMZOPIPTSA-N 0 3 420.554 2.119 20 0 HEADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CC[C@H](OCc3ccncc3)C1)OC2=O ZINC001169716301 1079383639 /nfs/dbraw/zinc/38/36/39/1079383639.db2.gz SYVYESUZVUFYBX-ZWKOTPCHSA-N 0 3 417.506 2.225 20 0 HEADHN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000771610921 1079396367 /nfs/dbraw/zinc/39/63/67/1079396367.db2.gz NVRSDGIPPJIOSS-MSOLQXFVSA-N 0 3 419.522 2.224 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@H](N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)C1 ZINC001169771267 1079404978 /nfs/dbraw/zinc/40/49/78/1079404978.db2.gz GZCZBFTZUKPPMM-NRFANRHFSA-N 0 3 411.546 2.395 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@@H](N2CCc3nnc(CN4CCCCC4)n3CC2)C1 ZINC001169771348 1079405585 /nfs/dbraw/zinc/40/55/85/1079405585.db2.gz HRIQLHMSJKNPHW-OAQYLSRUSA-N 0 3 422.577 2.427 20 0 HEADHN C[C@H]1C[C@@H](N(C)S(=O)(=O)N2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000766815371 1079404683 /nfs/dbraw/zinc/40/46/83/1079404683.db2.gz HHIUIWPRKPCRFW-ICSRJNTNSA-N 0 3 423.579 2.055 20 0 HEADHN Cc1cccc(C(=O)N[C@H](C)CCN2CCN(C)CC2)c1NC(=O)c1ccncc1 ZINC000771656698 1079427597 /nfs/dbraw/zinc/42/75/97/1079427597.db2.gz GGBPHMNIYQHCFH-GOSISDBHSA-N 0 3 409.534 2.398 20 0 HEADHN CCCc1cc(CN)nn1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170030174 1079429288 /nfs/dbraw/zinc/42/92/88/1079429288.db2.gz MNEFCARXTDDMLY-IRXDYDNUSA-N 0 3 423.583 2.378 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000771659139 1079429310 /nfs/dbraw/zinc/42/93/10/1079429310.db2.gz ZPUPSJWXWMJQGH-HKUYNNGSSA-N 0 3 404.555 2.395 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000771663804 1079433532 /nfs/dbraw/zinc/43/35/32/1079433532.db2.gz SOIKNAIZLWQGFL-GOSISDBHSA-N 0 3 405.564 2.240 20 0 HEADHN O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC[C@@H](N2CCCC2)CC1 ZINC000737690430 1075919281 /nfs/dbraw/zinc/91/92/81/1075919281.db2.gz CFAFKMUFPHLMJZ-CYBMUJFWSA-N 0 3 405.442 2.466 20 0 HEADHN Cc1cccc(CN2CCO[C@H]3CN([C@@H]4CCCC5(C4)OCCO5)CC[C@H]3C2=O)n1 ZINC001169946111 1079489081 /nfs/dbraw/zinc/48/90/81/1079489081.db2.gz VHGFTGTVSNYINA-NJYVYQBISA-N 0 3 415.534 2.125 20 0 HEADHN CCN1CCN(CCNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737851484 1075931930 /nfs/dbraw/zinc/93/19/30/1075931930.db2.gz VTAHAUKAGSMCMH-QFIPXVFZSA-N 0 3 424.545 2.408 20 0 HEADHN CC[C@]1(C(C)C)NC(=O)N(CN2CCN(CCN(C)Cc3ccccc3)CC2)C1=O ZINC000738042688 1075956090 /nfs/dbraw/zinc/95/60/90/1075956090.db2.gz WIHNCPOOBSFDDX-HSZRJFAPSA-N 0 3 415.582 2.050 20 0 HEADHN Cc1ncsc1CN(C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000738161847 1075971483 /nfs/dbraw/zinc/97/14/83/1075971483.db2.gz VNRMFHOPNRAUCU-OAQYLSRUSA-N 0 3 413.547 2.427 20 0 HEADHN COCCN1CC[C@@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)C1 ZINC000739006016 1076030420 /nfs/dbraw/zinc/03/04/20/1076030420.db2.gz OTCFVKMLSKVWCP-QZTJIDSGSA-N 0 3 412.575 2.480 20 0 HEADHN COCCN1CC[C@@H](NC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000739034170 1076032085 /nfs/dbraw/zinc/03/20/85/1076032085.db2.gz FQQCMWWXMIERIM-GDBMZVCRSA-N 0 3 409.836 2.110 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCC[C@@H](C)C1 ZINC000739066959 1076036338 /nfs/dbraw/zinc/03/63/38/1076036338.db2.gz JZAFCQUTRVKGTH-FGTMMUONSA-N 0 3 402.539 2.087 20 0 HEADHN COC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000766255440 1076228111 /nfs/dbraw/zinc/22/81/11/1076228111.db2.gz AUSUJSRWJQWZKP-INIZCTEOSA-N 0 3 412.494 2.356 20 0 HEADHN CN1CCN(CCCCNC(=O)NC[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000740907195 1076286753 /nfs/dbraw/zinc/28/67/53/1076286753.db2.gz LEHOCFOBXDINLR-INIZCTEOSA-N 0 3 403.354 2.354 20 0 HEADHN Cc1ccc([C@H](O)CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000741272402 1076439688 /nfs/dbraw/zinc/43/96/88/1076439688.db2.gz ZCSRRHHLDIPVNH-VQTJNVASSA-N 0 3 400.523 2.299 20 0 HEADHN C[C@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000741330078 1076478419 /nfs/dbraw/zinc/47/84/19/1076478419.db2.gz OYYVEMJKSRQQEL-ZDUSSCGKSA-N 0 3 415.412 2.218 20 0 HEADHN CN(CCCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741409240 1076512807 /nfs/dbraw/zinc/51/28/07/1076512807.db2.gz XIFCRZDUYGUPTM-JOCHJYFZSA-N 0 3 420.554 2.180 20 0 HEADHN COC(=O)NCc1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000741394193 1076519813 /nfs/dbraw/zinc/51/98/13/1076519813.db2.gz OBSSDOBOOOILEH-JOCHJYFZSA-N 0 3 412.490 2.301 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272886 1076561098 /nfs/dbraw/zinc/56/10/98/1076561098.db2.gz CGVRPUQGNCKECE-WOJBJXKFSA-N 0 3 416.566 2.475 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272873 1076561190 /nfs/dbraw/zinc/56/11/90/1076561190.db2.gz CGVRPUQGNCKECE-PMACEKPBSA-N 0 3 416.566 2.475 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272880 1076561237 /nfs/dbraw/zinc/56/12/37/1076561237.db2.gz CGVRPUQGNCKECE-VQTJNVASSA-N 0 3 416.566 2.475 20 0 HEADHN S=c1n(CN2CC[C@@H](N3CC=CC3)C2)nc(N2CCCCC2)n1C[C@H]1CCCO1 ZINC000742164258 1076761310 /nfs/dbraw/zinc/76/13/10/1076761310.db2.gz YSSFITWMBZYEIT-RTBURBONSA-N 0 3 418.611 2.487 20 0 HEADHN Cc1ccc(C)c([C@@H]2CN(CN3C(=O)NC4(CCN(C)CC4)C3=O)[C@@H](C)CO2)c1 ZINC000742169009 1076762473 /nfs/dbraw/zinc/76/24/73/1076762473.db2.gz AHXVHPWVJLMBIK-HKUYNNGSSA-N 0 3 400.523 2.039 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CC1=O ZINC000742251491 1076798682 /nfs/dbraw/zinc/79/86/82/1076798682.db2.gz CPPNIXRWRNHXPR-HNNXBMFYSA-N 0 3 401.488 2.316 20 0 HEADHN Cc1nccn1-c1ccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)cn1 ZINC000742246654 1076805384 /nfs/dbraw/zinc/80/53/84/1076805384.db2.gz RXFWJKBNMUDFAJ-UHFFFAOYSA-N 0 3 404.518 2.404 20 0 HEADHN C[C@@H](CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)NC(=O)OC(C)(C)C ZINC000742542165 1076850049 /nfs/dbraw/zinc/85/00/49/1076850049.db2.gz PJWWKCXVAPOZJV-KRWDZBQOSA-N 0 3 404.555 2.354 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000742542443 1076850204 /nfs/dbraw/zinc/85/02/04/1076850204.db2.gz TVAITCUFCUPRBT-UHFFFAOYSA-N 0 3 415.534 2.274 20 0 HEADHN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000742598108 1076854617 /nfs/dbraw/zinc/85/46/17/1076854617.db2.gz DEAAJFHEDNNNJV-CVEARBPZSA-N 0 3 411.531 2.448 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccn(CCc2ccncc2)n1 ZINC000743189018 1077002469 /nfs/dbraw/zinc/00/24/69/1077002469.db2.gz ZFFSEJBLJWGVEL-HSZRJFAPSA-N 0 3 420.517 2.279 20 0 HEADHN COc1ccc(NC(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1N1CCOC1=O ZINC000743236692 1077011058 /nfs/dbraw/zinc/01/10/58/1077011058.db2.gz PYJUZTMWSNBJJF-MRXNPFEDSA-N 0 3 406.483 2.226 20 0 HEADHN C[C@@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C[C@@H](C)S1 ZINC000743376003 1077044240 /nfs/dbraw/zinc/04/42/40/1077044240.db2.gz IPTIYOCGPBUNRQ-CBGDNZLLSA-N 0 3 402.564 2.356 20 0 HEADHN CN(C[C@@H]1CCCN1C(=O)NCCCCN1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000743535318 1077064884 /nfs/dbraw/zinc/06/48/84/1077064884.db2.gz FMEHQTSYSYQADN-SFHVURJKSA-N 0 3 411.591 2.055 20 0 HEADHN Cc1cc([C@@](C)(O)CNC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)c(C)o1 ZINC000743512002 1077065375 /nfs/dbraw/zinc/06/53/75/1077065375.db2.gz ZTBAOKIZCNLNOF-QHCPKHFHSA-N 0 3 423.517 2.411 20 0 HEADHN O=C(NCCOC1CCC1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000743695267 1077091979 /nfs/dbraw/zinc/09/19/79/1077091979.db2.gz XZMIJOYYWUQDNA-LJQANCHMSA-N 0 3 401.555 2.194 20 0 HEADHN CN(C[C@@H]1CCCN1C[C@@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000743865793 1077152501 /nfs/dbraw/zinc/15/25/01/1077152501.db2.gz GSRNNNRKAVYIOZ-JKSUJKDBSA-N 0 3 408.495 2.486 20 0 HEADHN C[C@@H]1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000743872478 1077156710 /nfs/dbraw/zinc/15/67/10/1077156710.db2.gz YNUUHOBBCAFKIB-LJQANCHMSA-N 0 3 401.551 2.385 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000743877211 1077159746 /nfs/dbraw/zinc/15/97/46/1077159746.db2.gz LUEBGKCMBNDGDG-IBGZPJMESA-N 0 3 424.501 2.179 20 0 HEADHN Cc1ccnc(Oc2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)ccc2C)c1 ZINC000743913979 1077192676 /nfs/dbraw/zinc/19/26/76/1077192676.db2.gz JFTNGHZESYITQH-RBUKOAKNSA-N 0 3 424.501 2.409 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000743898223 1077210702 /nfs/dbraw/zinc/21/07/02/1077210702.db2.gz AVILCGQYNGOCPI-MRXNPFEDSA-N 0 3 402.495 2.127 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCCC4(CCOCC4)C3)cc2)CC1 ZINC000743938742 1077231045 /nfs/dbraw/zinc/23/10/45/1077231045.db2.gz NBYUXUJBNIBTMZ-UHFFFAOYSA-N 0 3 414.550 2.186 20 0 HEADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCc3c(cccc3N3CCOC3=O)C2)c1 ZINC000743973351 1077275459 /nfs/dbraw/zinc/27/54/59/1077275459.db2.gz HWURHVXMSFLLCD-UHFFFAOYSA-N 0 3 422.485 2.228 20 0 HEADHN COC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)cc1 ZINC000743971996 1077275824 /nfs/dbraw/zinc/27/58/24/1077275824.db2.gz GGGNEBAFEPWRTL-HXUWFJFHSA-N 0 3 424.501 2.214 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC(OCC4CC4)CC3)cc2)CC1 ZINC000743999249 1077287496 /nfs/dbraw/zinc/28/74/96/1077287496.db2.gz DPZSGOIKRGJWNC-UHFFFAOYSA-N 0 3 414.550 2.185 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1NC(=O)c1ccncc1 ZINC000743979460 1077292912 /nfs/dbraw/zinc/29/29/12/1077292912.db2.gz GGGFRPRIDDXSPE-MRXNPFEDSA-N 0 3 409.490 2.181 20 0 HEADHN COc1cccc(CN(C)C(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000744399269 1077372695 /nfs/dbraw/zinc/37/26/95/1077372695.db2.gz HXUULBZNXFSKQO-XMMPIXPASA-N 0 3 411.546 2.270 20 0 HEADHN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000744799517 1077597609 /nfs/dbraw/zinc/59/76/09/1077597609.db2.gz NCNZHCXUCFHLPW-CQSZACIVSA-N 0 3 401.960 2.441 20 0 HEADHN C[C@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC000745170780 1077766623 /nfs/dbraw/zinc/76/66/23/1077766623.db2.gz QTBWIISHTFPHSW-ZKMNFCBKSA-N 0 3 402.520 2.356 20 0 HEADHN CCOC(=O)C1=C(CN[C@H](CCO)C2CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000771802917 1079537671 /nfs/dbraw/zinc/53/76/71/1079537671.db2.gz YVHICGWXMPZDJN-CRAIPNDOSA-N 0 3 407.898 2.262 20 0 HEADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N[C@H](CO)C2CC2)c1 ZINC000771806035 1079539399 /nfs/dbraw/zinc/53/93/99/1079539399.db2.gz HOCGSADKFVSKLE-SJKOYZFVSA-N 0 3 417.959 2.058 20 0 HEADHN CCO[C@@H]1C[C@@]2(NC(=O)N(c3ccc(N4CCN(CC)CC4)cc3)C2=O)C1(C)C ZINC000771828929 1079550789 /nfs/dbraw/zinc/55/07/89/1079550789.db2.gz SWQNWDGJZPBXDB-GCJKJVERSA-N 0 3 400.523 2.459 20 0 HEADHN C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000766983162 1079578481 /nfs/dbraw/zinc/57/84/81/1079578481.db2.gz VGMLIOPPVPVHIU-BBRMVZONSA-N 0 3 401.532 2.419 20 0 HEADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCOCC1CCOCC1 ZINC000740898224 1079580304 /nfs/dbraw/zinc/58/03/04/1079580304.db2.gz JEXUVYBNURLTLT-INIZCTEOSA-N 0 3 419.975 2.127 20 0 HEADHN Cc1sc2nc(COC(=O)C3CC[C@H](C(F)(F)F)NC3=O)nc(N)c2c1C ZINC000771898764 1079582033 /nfs/dbraw/zinc/58/20/33/1079582033.db2.gz OUOUEMCMRYIFQC-RKDXNWHRSA-N 0 3 402.398 2.391 20 0 HEADHN Cn1ccnc1[C@H](O)C1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000771947949 1079597187 /nfs/dbraw/zinc/59/71/87/1079597187.db2.gz DCHQSNKNWVKUMK-OAQYLSRUSA-N 0 3 411.550 2.324 20 0 HEADHN Cc1cc(S(=O)(=O)NCCN[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)s1 ZINC000771980103 1079622754 /nfs/dbraw/zinc/62/27/54/1079622754.db2.gz LEQQPDIVSFKDES-CQSZACIVSA-N 0 3 403.570 2.242 20 0 HEADHN CN1CC[C@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)[C@H]1c1ccccc1 ZINC000772028853 1079687102 /nfs/dbraw/zinc/68/71/02/1079687102.db2.gz DYMNCIWCGSTRNH-PZJWPPBQSA-N 0 3 423.517 2.179 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000767163281 1079701250 /nfs/dbraw/zinc/70/12/50/1079701250.db2.gz GAZHWYIELQSNDJ-GJZGRUSLSA-N 0 3 414.597 2.326 20 0 HEADHN CC1(C)OCC(C)(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CO1 ZINC000767173370 1079708860 /nfs/dbraw/zinc/70/88/60/1079708860.db2.gz IXATVQAMRQYYFE-LJQANCHMSA-N 0 3 416.566 2.231 20 0 HEADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)c3ccccc3)C2=O)cc1 ZINC000746528217 1079719786 /nfs/dbraw/zinc/71/97/86/1079719786.db2.gz LFSLHWTVKAIUDS-HSZRJFAPSA-N 0 3 424.501 2.057 20 0 HEADHN COC(=O)/C=C/c1ccc(OCCN(C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000767332810 1079808874 /nfs/dbraw/zinc/80/88/74/1079808874.db2.gz QCXYFIVNXVUOOT-FMIVXFBMSA-N 0 3 408.454 2.480 20 0 HEADHN Cn1nnnc1CCN[C@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000772464874 1079890134 /nfs/dbraw/zinc/89/01/34/1079890134.db2.gz GICMFNDUOJDKEG-HRAATJIYSA-N 0 3 414.510 2.246 20 0 HEADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772633494 1079993771 /nfs/dbraw/zinc/99/37/71/1079993771.db2.gz QDIWHCQDZISFGL-DLBZAZTESA-N 0 3 414.333 2.358 20 0 HEADHN COCCN1CCC(NC(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772604033 1080004619 /nfs/dbraw/zinc/00/46/19/1080004619.db2.gz RKQJWPMXKDOEBU-SFHVURJKSA-N 0 3 410.559 2.281 20 0 HEADHN CCn1c2ccc(S(=O)(=O)Nc3ccc(N4CCN(C)CC4)cc3)cc2oc1=O ZINC000767682223 1080037570 /nfs/dbraw/zinc/03/75/70/1080037570.db2.gz WATAEHZKPLKMJP-UHFFFAOYSA-N 0 3 416.503 2.167 20 0 HEADHN Cn1c(CCN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)nc2ccccc21 ZINC000767748021 1080065586 /nfs/dbraw/zinc/06/55/86/1080065586.db2.gz TVPFDDQTIJTHCV-UHFFFAOYSA-N 0 3 413.547 2.310 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2ccc(OC)c(Cl)c2)CC1=O ZINC000785642096 1080088769 /nfs/dbraw/zinc/08/87/69/1080088769.db2.gz NJKQBQMRAQNZMV-JKSUJKDBSA-N 0 3 422.909 2.407 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2ccc(SC)cc2)CC1=O ZINC000785652409 1080103641 /nfs/dbraw/zinc/10/36/41/1080103641.db2.gz MMFPGPPFGIKSDU-IRXDYDNUSA-N 0 3 404.532 2.467 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000785681800 1080159150 /nfs/dbraw/zinc/15/91/50/1080159150.db2.gz GIQGFWANWDTQKD-INIZCTEOSA-N 0 3 402.495 2.356 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000767860116 1080183216 /nfs/dbraw/zinc/18/32/16/1080183216.db2.gz YDCQQBYITZMHLO-LJQANCHMSA-N 0 3 415.486 2.205 20 0 HEADHN CC(C)[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000785710831 1080219572 /nfs/dbraw/zinc/21/95/72/1080219572.db2.gz ZJKANIDWOAZGNY-WOJBJXKFSA-N 0 3 415.534 2.188 20 0 HEADHN CCOc1ccc(N2C[C@@H](C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)CC2=O)cc1 ZINC000785809030 1080252924 /nfs/dbraw/zinc/25/29/24/1080252924.db2.gz AMIPFDIAPRFBIV-ROUUACIJSA-N 0 3 415.534 2.150 20 0 HEADHN COCC[S@](=O)Cc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000785816401 1080255965 /nfs/dbraw/zinc/25/59/65/1080255965.db2.gz ONIFKRLUMXSZMC-JWRCQZCYSA-N 0 3 423.579 2.299 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CC(N3CCCCC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170052397 1080294373 /nfs/dbraw/zinc/29/43/73/1080294373.db2.gz RZTFZLPUDZPUIO-WMZOPIPTSA-N 0 3 424.611 2.067 20 0 HEADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)N(C)C ZINC000786025511 1080339975 /nfs/dbraw/zinc/33/99/75/1080339975.db2.gz PIYOEEAUTFBLFX-UZLBHIALSA-N 0 3 410.518 2.443 20 0 HEADHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)N(C)C ZINC000786025510 1080340206 /nfs/dbraw/zinc/34/02/06/1080340206.db2.gz PIYOEEAUTFBLFX-OXQOHEQNSA-N 0 3 410.518 2.443 20 0 HEADHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)N(C)C ZINC000786026213 1080340852 /nfs/dbraw/zinc/34/08/52/1080340852.db2.gz SQOVMXPNKCWVKZ-OXJNMPFZSA-N 0 3 406.490 2.322 20 0 HEADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768178634 1080377467 /nfs/dbraw/zinc/37/74/67/1080377467.db2.gz VMQVKNZQEMHPDC-QCLGFWRNSA-N 0 3 407.555 2.247 20 0 HEADHN C[C@H](CNC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000768163249 1080379723 /nfs/dbraw/zinc/37/97/23/1080379723.db2.gz BWQAJTRUTAGYEY-GOSISDBHSA-N 0 3 404.555 2.428 20 0 HEADHN C[C@H](NCc1ccc2c(c1)C(=O)NCC2)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768252850 1080441350 /nfs/dbraw/zinc/44/13/50/1080441350.db2.gz PRPRSXPZRNCOEA-HTAPYJJXSA-N 0 3 423.513 2.488 20 0 HEADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768271794 1080453958 /nfs/dbraw/zinc/45/39/58/1080453958.db2.gz LSACFIGWNNGXME-HKUYNNGSSA-N 0 3 420.554 2.351 20 0 HEADHN O=C(NCCO)C1CCN(Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000768316101 1080502109 /nfs/dbraw/zinc/50/21/09/1080502109.db2.gz CLNARKBLQXKCNS-UHFFFAOYSA-N 0 3 419.529 2.314 20 0 HEADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000786584936 1080673218 /nfs/dbraw/zinc/67/32/18/1080673218.db2.gz WYDQOKXZXKYCTG-HNNXBMFYSA-N 0 3 423.562 2.179 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000786712479 1080765770 /nfs/dbraw/zinc/76/57/70/1080765770.db2.gz HVDLGUCOVAUNCM-GOSISDBHSA-N 0 3 419.551 2.022 20 0 HEADHN C[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786803477 1080835060 /nfs/dbraw/zinc/83/50/60/1080835060.db2.gz FSWKDXSWCPNSKM-AWEZNQCLSA-N 0 3 422.938 2.499 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC001169997529 1080841465 /nfs/dbraw/zinc/84/14/65/1080841465.db2.gz AVOCKJAGVYNNPJ-JKSUJKDBSA-N 0 3 408.461 2.074 20 0 HEADHN C[C@@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)NC(=O)NCc1ccccc1 ZINC000786815697 1080841549 /nfs/dbraw/zinc/84/15/49/1080841549.db2.gz SJWGLUIYSIVTNQ-QGZVFWFLSA-N 0 3 409.486 2.393 20 0 HEADHN C[C@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)Nc1sccc1C(N)=O ZINC000786822281 1080844944 /nfs/dbraw/zinc/84/49/44/1080844944.db2.gz VPXKVFCDZRAUCW-ZDUSSCGKSA-N 0 3 401.488 2.166 20 0 HEADHN CN1CCC2(CC1)NC(=O)N(CN1CCC(=Cc3ccc(F)c(F)c3)CC1)C2=O ZINC000768906545 1080847662 /nfs/dbraw/zinc/84/76/62/1080847662.db2.gz HWMZVHGSPQWCKR-UHFFFAOYSA-N 0 3 404.461 2.418 20 0 HEADHN O=c1c(Br)nn(CN2CCOC3(CCOCC3)CC2)c2ccccc12 ZINC000768910795 1080851397 /nfs/dbraw/zinc/85/13/97/1080851397.db2.gz BMTIPBOZELGEDW-UHFFFAOYSA-N 0 3 408.296 2.388 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000786878767 1080866825 /nfs/dbraw/zinc/86/68/25/1080866825.db2.gz ALMWYXRKIXNXJH-KRWDZBQOSA-N 0 3 400.523 2.208 20 0 HEADHN O=C(COC(=O)[C@@H]1CCCN1C1CCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000786885603 1080886080 /nfs/dbraw/zinc/88/60/80/1080886080.db2.gz YHEUUUMEZKYKSC-FQEVSTJZSA-N 0 3 421.582 2.088 20 0 HEADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(CO)o3)C2)CC1 ZINC000769026475 1080889107 /nfs/dbraw/zinc/88/91/07/1080889107.db2.gz WFGQGCYSWDPKPJ-MRXNPFEDSA-N 0 3 407.511 2.063 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786939651 1080898643 /nfs/dbraw/zinc/89/86/43/1080898643.db2.gz CUSNCVPJUBQXIH-INIZCTEOSA-N 0 3 410.559 2.281 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC001169999222 1080899809 /nfs/dbraw/zinc/89/98/09/1080899809.db2.gz PXGSCSMLSILMGJ-MRXNPFEDSA-N 0 3 421.488 2.421 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 ZINC001169999221 1080899836 /nfs/dbraw/zinc/89/98/36/1080899836.db2.gz PXGSCSMLSILMGJ-INIZCTEOSA-N 0 3 421.488 2.421 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001169999259 1080901671 /nfs/dbraw/zinc/90/16/71/1080901671.db2.gz QZVXKVUKTWUWAR-INIZCTEOSA-N 0 3 421.488 2.421 20 0 HEADHN C[C@@H]1[C@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787119522 1081007891 /nfs/dbraw/zinc/00/78/91/1081007891.db2.gz FRDXGJGWBFHWID-NSISKUIASA-N 0 3 417.550 2.167 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)[N-]CC[N@H+](C)C2CCCCC2)c(=O)[nH]c1=O ZINC000769638544 1081159436 /nfs/dbraw/zinc/15/94/36/1081159436.db2.gz IDRYKQKWUOGQDR-UHFFFAOYSA-N 0 3 414.572 2.072 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)[N-]CC[N@@H+](C)C2CCCCC2)c(=O)[nH]c1=O ZINC000769638544 1081159451 /nfs/dbraw/zinc/15/94/51/1081159451.db2.gz IDRYKQKWUOGQDR-UHFFFAOYSA-N 0 3 414.572 2.072 20 0 HEADHN CCN(CCO)CCNC(=O)c1cccn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769641153 1081160783 /nfs/dbraw/zinc/16/07/83/1081160783.db2.gz NTQHPNVTBIQAQY-UHFFFAOYSA-N 0 3 408.543 2.104 20 0 HEADHN COCCOc1cc2ncnc(N3C[C@@H](C)N(C)C[C@H]3C)c2cc1OCCOC ZINC001164634913 719168512 /nfs/dbraw/zinc/16/85/12/719168512.db2.gz JZWYEISKRSAZFG-HZPDHXFCSA-N 0 3 404.511 2.209 20 0 HEADHN COCCOc1cc2ncnc(N3C[C@@H](C)N(C)C[C@@H]3C)c2cc1OCCOC ZINC001164634909 719168839 /nfs/dbraw/zinc/16/88/39/719168839.db2.gz JZWYEISKRSAZFG-CVEARBPZSA-N 0 3 404.511 2.209 20 0 HEADHN CC1(C)NC(=O)N(Cc2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2)C1=O ZINC001164731485 720449019 /nfs/dbraw/zinc/44/90/19/720449019.db2.gz KWQDYNWNOQLSAE-RBUKOAKNSA-N 0 3 420.517 2.160 20 0 HEADHN COc1ccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164740229 720605093 /nfs/dbraw/zinc/60/50/93/720605093.db2.gz HWJCAUMPDPUSLZ-HIFRSBDPSA-N 0 3 412.881 2.424 20 0 HEADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)N3C(C)C)C2)c1 ZINC001164838333 720651855 /nfs/dbraw/zinc/65/18/55/720651855.db2.gz HIGFAYBBFRCZMI-QWFCFKBJSA-N 0 3 417.579 2.450 20 0 HEADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)N3C(C)C)C2)c1 ZINC001164838331 720652494 /nfs/dbraw/zinc/65/24/94/720652494.db2.gz HIGFAYBBFRCZMI-NLWGTHIKSA-N 0 3 417.579 2.450 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc2c1 ZINC001164737058 720681649 /nfs/dbraw/zinc/68/16/49/720681649.db2.gz CUADPXXIAVKDPL-MSOLQXFVSA-N 0 3 405.458 2.153 20 0 HEADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749905 720786574 /nfs/dbraw/zinc/78/65/74/720786574.db2.gz USRBTRMVZNLIEO-QZTJIDSGSA-N 0 3 403.490 2.287 20 0 HEADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)n1 ZINC001164750020 720787719 /nfs/dbraw/zinc/78/77/19/720787719.db2.gz UZUZEOWPBFNSNM-SJORKVTESA-N 0 3 407.478 2.387 20 0 HEADHN c1cncc(-c2nc3c(c(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)n2)CCC3)c1 ZINC001164752749 720789614 /nfs/dbraw/zinc/78/96/14/720789614.db2.gz ZRDGKCVWLIBXOX-QZTJIDSGSA-N 0 3 415.501 2.159 20 0 HEADHN Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C(N)=O ZINC001164867065 721050963 /nfs/dbraw/zinc/05/09/63/721050963.db2.gz HFJRPSGVGLIOFN-HZPDHXFCSA-N 0 3 401.898 2.017 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870498 721057109 /nfs/dbraw/zinc/05/71/09/721057109.db2.gz WCHPWJPPFGZRMR-RTBURBONSA-N 0 3 419.485 2.291 20 0 HEADHN CCOC(=O)c1ccc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762705 721135276 /nfs/dbraw/zinc/13/52/76/721135276.db2.gz DHXQXOZHRDYTGF-OALUTQOASA-N 0 3 420.517 2.498 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1C ZINC001164877648 721136690 /nfs/dbraw/zinc/13/66/90/721136690.db2.gz PMTVWSSSYNSJPE-JKSUJKDBSA-N 0 3 413.913 2.200 20 0 HEADHN CCOC(=O)c1cnc2cc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]cc1-2 ZINC001164766084 721188499 /nfs/dbraw/zinc/18/84/99/721188499.db2.gz IWMZGNGEPAWOEQ-SJORKVTESA-N 0 3 408.506 2.431 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001164767212 721256184 /nfs/dbraw/zinc/25/61/84/721256184.db2.gz WFVBOTXNDWKASZ-SESVDKBCSA-N 0 3 410.518 2.286 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1N1CCCC1 ZINC001164887216 721378682 /nfs/dbraw/zinc/37/86/82/721378682.db2.gz HIBXTJDVMFVVCB-NZQKXSOJSA-N 0 3 414.598 2.151 20 0 HEADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164887708 721409043 /nfs/dbraw/zinc/40/90/43/721409043.db2.gz MMWKNZKGMLHDJX-WMZHIEFXSA-N 0 3 416.566 2.250 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890361 721420575 /nfs/dbraw/zinc/42/05/75/721420575.db2.gz SFJKTDVITCOQLZ-QRWLVFNGSA-N 0 3 404.946 2.377 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164890063 721422021 /nfs/dbraw/zinc/42/20/21/721422021.db2.gz SBSDKRZGUNQHTB-OFNKIYASSA-N 0 3 414.598 2.232 20 0 HEADHN COC(=O)c1nc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909810 721536717 /nfs/dbraw/zinc/53/67/17/721536717.db2.gz RXIAGBBHEYYUSZ-UKRRQHHQSA-N 0 3 406.845 2.398 20 0 HEADHN CCOC(=O)Cc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164906954 721539181 /nfs/dbraw/zinc/53/91/81/721539181.db2.gz MAPYLXZOFLHAMD-PKOBYXMFSA-N 0 3 400.454 2.063 20 0 HEADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164903078 721550385 /nfs/dbraw/zinc/55/03/85/721550385.db2.gz CBVDVDOURHTXQM-HOCLYGCPSA-N 0 3 419.888 2.440 20 0 HEADHN O=c1ccccn1-c1nccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903143 721557754 /nfs/dbraw/zinc/55/77/54/721557754.db2.gz AZXOONIORAFGMM-IEBWSBKVSA-N 0 3 407.449 2.109 20 0 HEADHN CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CCN(C)CC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164808868 721565612 /nfs/dbraw/zinc/56/56/12/721565612.db2.gz WBINLRIYAUZEGI-ZFGGDYGUSA-N 0 3 422.577 2.097 20 0 HEADHN Cc1cccc(CN2CCO[C@H]3CN(c4cc(CN(C)C)ccn4)CC[C@@H]3C2=O)n1 ZINC001164799417 721603216 /nfs/dbraw/zinc/60/32/16/721603216.db2.gz KETJPPCSLVIMIX-SFTDATJTSA-N 0 3 409.534 2.101 20 0 HEADHN O=C(NC1CC1)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164982005 722123808 /nfs/dbraw/zinc/12/38/08/722123808.db2.gz VPZMTIPEMSQMGB-FPOVZHCZSA-N 0 3 407.518 2.096 20 0 HEADHN CCOC(=O)c1ncnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164981521 722124163 /nfs/dbraw/zinc/12/41/63/722124163.db2.gz UIPHCIZCLLEAKA-RTBURBONSA-N 0 3 411.506 2.084 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983755 722127268 /nfs/dbraw/zinc/12/72/68/722127268.db2.gz ZYFSJIUTYQHDFJ-CRAIPNDOSA-N 0 3 413.909 2.101 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@H](C)C2)c(=O)[nH]c1=O ZINC000769655485 1078491973 /nfs/dbraw/zinc/49/19/73/1078491973.db2.gz ANJHEVXFLQBPBY-HZPDHXFCSA-N 0 3 414.572 2.023 20 0 HEADHN CC1(C)CC(N2CCN(CC(=O)NCCc3ccccc3)CC2)CC(C)(C)N1O ZINC001170009140 1078516452 /nfs/dbraw/zinc/51/64/52/1078516452.db2.gz OJCMKPISACJGNL-UHFFFAOYSA-N 0 3 402.583 2.374 20 0 HEADHN CCOC(=O)c1cnn2c1nccc2C(=O)N(CCc1ccccc1)CCN(C)C ZINC000769705549 1078528931 /nfs/dbraw/zinc/52/89/31/1078528931.db2.gz JYYXLQLZOSETPQ-UHFFFAOYSA-N 0 3 409.490 2.153 20 0 HEADHN CN(CC1CCN(C)CC1)S(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000769756423 1078541373 /nfs/dbraw/zinc/54/13/73/1078541373.db2.gz SMHDPCAHMMRUKW-HXUWFJFHSA-N 0 3 423.579 2.391 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(CCO[C@@H]3CCCCO3)C2)C(=O)C1 ZINC000769787943 1078566809 /nfs/dbraw/zinc/56/68/09/1078566809.db2.gz FYQBSLBXVAOTKN-IEBWSBKVSA-N 0 3 411.543 2.073 20 0 HEADHN C[C@@H](CNC(=O)NCCc1ccc(N2CCCCC2)cc1)CN1CCN(C)CC1 ZINC000745611086 1078566911 /nfs/dbraw/zinc/56/69/11/1078566911.db2.gz VRYHVQQXCBDTTD-FQEVSTJZSA-N 0 3 401.599 2.402 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(F)ccc3O)cc2)CC1 ZINC000745734951 1078621154 /nfs/dbraw/zinc/62/11/54/1078621154.db2.gz ZQQPNJIWCKRKPN-UHFFFAOYSA-N 0 3 401.438 2.469 20 0 HEADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN(CC3CCC3)C(C)C)C2=O)cc1 ZINC000769919517 1078634816 /nfs/dbraw/zinc/63/48/16/1078634816.db2.gz GHLGOQVXOYYKEA-NRFANRHFSA-N 0 3 402.495 2.004 20 0 HEADHN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000745803813 1078653933 /nfs/dbraw/zinc/65/39/33/1078653933.db2.gz WMSWHNSWWBMPQK-KGLIPLIRSA-N 0 3 413.421 2.021 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863170 1078678184 /nfs/dbraw/zinc/67/81/84/1078678184.db2.gz RXQIEWAWGWVNQI-WIYYLYMNSA-N 0 3 406.571 2.080 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000745888313 1078678826 /nfs/dbraw/zinc/67/88/26/1078678826.db2.gz VIRPHISPKSXPQT-HXUWFJFHSA-N 0 3 415.582 2.159 20 0 HEADHN C[C@H](CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)CN1CCN(C)CC1 ZINC000745862963 1078678930 /nfs/dbraw/zinc/67/89/30/1078678930.db2.gz QRQUNRKUTCLCES-CJNGLKHVSA-N 0 3 403.354 2.210 20 0 HEADHN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H](c1ccccc1)N(C)C ZINC000770046456 1078703443 /nfs/dbraw/zinc/70/34/43/1078703443.db2.gz GSFVYAQIPSNVGR-HNAYVOBHSA-N 0 3 405.520 2.485 20 0 HEADHN O=C(CNC(=O)OCc1ccccc1)NCc1ccccc1CN1CCC(O)CC1 ZINC000746011638 1078731666 /nfs/dbraw/zinc/73/16/66/1078731666.db2.gz OAPUMAAXHLNBSY-UHFFFAOYSA-N 0 3 411.502 2.186 20 0 HEADHN COC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1)CCCC2 ZINC000746037462 1078738910 /nfs/dbraw/zinc/73/89/10/1078738910.db2.gz FFEKSNOQWDDDNJ-CYBMUJFWSA-N 0 3 407.536 2.343 20 0 HEADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)C1 ZINC000746046443 1078756090 /nfs/dbraw/zinc/75/60/90/1078756090.db2.gz PGVBHDRXKJKBGW-QGZVFWFLSA-N 0 3 424.549 2.458 20 0 HEADHN Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1N1CCSCC1 ZINC000746040788 1078746677 /nfs/dbraw/zinc/74/66/77/1078746677.db2.gz GUJMZWHVJYWQOA-MSOLQXFVSA-N 0 3 402.564 2.182 20 0 HEADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1 ZINC000746045798 1078754833 /nfs/dbraw/zinc/75/48/33/1078754833.db2.gz KBKGZKUKEBUZGX-OAHLLOKOSA-N 0 3 416.522 2.381 20 0 HEADHN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000770171662 1078766641 /nfs/dbraw/zinc/76/66/41/1078766641.db2.gz CLFGMFDXLINDQT-QRQLOZEOSA-N 0 3 420.554 2.392 20 0 HEADHN COC(=O)c1cc(F)c(Br)c(S(=O)(=O)[N-]CCC[NH+]2CCCC2)c1 ZINC000770233004 1078777368 /nfs/dbraw/zinc/77/73/68/1078777368.db2.gz JLSNIGFCSSDALO-UHFFFAOYSA-N 0 3 423.304 2.139 20 0 HEADHN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000746113439 1078792723 /nfs/dbraw/zinc/79/27/23/1078792723.db2.gz JQLATRVOQSYYPA-IBGZPJMESA-N 0 3 422.529 2.274 20 0 HEADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000746224821 1078826230 /nfs/dbraw/zinc/82/62/30/1078826230.db2.gz JPDMIFKCAFMGFG-DHIUTWEWSA-N 0 3 421.541 2.217 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)CC1=O ZINC000746208874 1078818579 /nfs/dbraw/zinc/81/85/79/1078818579.db2.gz TVBIRBCPEZXVLE-OAQYLSRUSA-N 0 3 423.513 2.070 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220581 1078825268 /nfs/dbraw/zinc/82/52/68/1078825268.db2.gz WZDPBVAEPHUZHM-HSALFYBXSA-N 0 3 417.550 2.215 20 0 HEADHN O=C(CCn1nnc2ccccc2c1=O)O[C@@H]1CCN(Cc2ccc3c(c2)CCC3)C1 ZINC000770359517 1078830539 /nfs/dbraw/zinc/83/05/39/1078830539.db2.gz JLIXNDKWFBKXCY-HXUWFJFHSA-N 0 3 418.497 2.488 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000770336973 1078835586 /nfs/dbraw/zinc/83/55/86/1078835586.db2.gz PHMZIIDSZFCWQA-UGKGYDQZSA-N 0 3 412.534 2.367 20 0 HEADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000770337649 1078836123 /nfs/dbraw/zinc/83/61/23/1078836123.db2.gz TWZITQKTQVFOOM-DENIHFKCSA-N 0 3 412.534 2.271 20 0 HEADHN CN1CCN(CCCCNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000746330185 1078861151 /nfs/dbraw/zinc/86/11/51/1078861151.db2.gz GQKXSKZHUBCSFN-LEWJYISDSA-N 0 3 406.546 2.451 20 0 HEADHN CC(C)CN1N=C(C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCC1=O ZINC000766345887 1078875960 /nfs/dbraw/zinc/87/59/60/1078875960.db2.gz FRHDIGFROAHGFS-NRFANRHFSA-N 0 3 413.566 2.116 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000770590460 1078899515 /nfs/dbraw/zinc/89/95/15/1078899515.db2.gz NHJQGHVHXIEJPH-CJNGLKHVSA-N 0 3 403.354 2.352 20 0 HEADHN Cc1sc(Br)cc1S(=O)(=O)N(CCN(C)C)C1CCN(C)CC1 ZINC000390930455 1078915224 /nfs/dbraw/zinc/91/52/24/1078915224.db2.gz ICSWQXDCDQDFEX-UHFFFAOYSA-N 0 3 424.430 2.466 20 0 HEADHN CN(C)CCn1cc(NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)ccc1=O ZINC000770676126 1078929412 /nfs/dbraw/zinc/92/94/12/1078929412.db2.gz SMZSHYZYRMXRKS-GOSISDBHSA-N 0 3 412.490 2.007 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CCN1CCOC ZINC000766372966 1078938661 /nfs/dbraw/zinc/93/86/61/1078938661.db2.gz DSSDWTNRHFXERL-WIYYLYMNSA-N 0 3 422.957 2.497 20 0 HEADHN CCC[C@H]1CN(Cn2nc(-c3cnccn3)n(CC)c2=S)CCN1CCOC ZINC000766373290 1078941229 /nfs/dbraw/zinc/94/12/29/1078941229.db2.gz GDXOULXMEQNREI-INIZCTEOSA-N 0 3 405.572 2.281 20 0 HEADHN C[C@@H]1Cc2ccc(Br)cc2CN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000766390978 1078946776 /nfs/dbraw/zinc/94/67/76/1078946776.db2.gz TUAJGNRHMACBEI-CYBMUJFWSA-N 0 3 421.339 2.169 20 0 HEADHN CN(C)C1(CNC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CCOCC1 ZINC000746447815 1078986013 /nfs/dbraw/zinc/98/60/13/1078986013.db2.gz FOKLCSYGGPVNLA-UHFFFAOYSA-N 0 3 401.429 2.181 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)c2)CC1 ZINC000770743883 1079001463 /nfs/dbraw/zinc/00/14/63/1079001463.db2.gz MTVQPZUOFHQUIE-NRFANRHFSA-N 0 3 410.518 2.007 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC(F)F ZINC000770800565 1079023015 /nfs/dbraw/zinc/02/30/15/1079023015.db2.gz NAPRNFUMFPCJSW-CYBMUJFWSA-N 0 3 400.495 2.082 20 0 HEADHN C[C@@H]1C[C@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168868395 1079058589 /nfs/dbraw/zinc/05/85/89/1079058589.db2.gz SOCUYGVPAJQWTK-HIFRSBDPSA-N 0 3 403.527 2.382 20 0 HEADHN C[C@H]1C[C@@H](N2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)CN1C(=O)OC(C)(C)C ZINC001168869810 1079059414 /nfs/dbraw/zinc/05/94/14/1079059414.db2.gz XWJNSVMERCNYQY-BIZBXSGISA-N 0 3 410.559 2.279 20 0 HEADHN C[C@@H]1C[C@@H](N2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844818 1079060243 /nfs/dbraw/zinc/06/02/43/1079060243.db2.gz DSCVBWAJAZRVNK-RHQZKXFESA-N 0 3 407.555 2.486 20 0 HEADHN CN1CCN(C2CCN(C(=O)NCc3nc(-c4ccncc4)cs3)CC2)CC1 ZINC001687510243 1079073569 /nfs/dbraw/zinc/07/35/69/1079073569.db2.gz ZFWMSRFBQYCNEW-UHFFFAOYSA-N 0 3 400.552 2.127 20 0 HEADHN CCN(Cc1ccncc1)C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC ZINC001168941765 1079081375 /nfs/dbraw/zinc/08/13/75/1079081375.db2.gz UHOWGBZPHNOAMW-IBGZPJMESA-N 0 3 410.474 2.316 20 0 HEADHN Cc1cccc(CN2CC[C@@H](NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149870 1079166726 /nfs/dbraw/zinc/16/67/26/1079166726.db2.gz OXIMTKKHUABEGK-UXHICEINSA-N 0 3 416.566 2.237 20 0 HEADHN Cc1csc([C@H](C)N[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170331 1079186035 /nfs/dbraw/zinc/18/60/35/1079186035.db2.gz UXWMFOHQGVYNGX-JSGCOSHPSA-N 0 3 404.540 2.108 20 0 HEADHN COc1cccnc1CNc1nccc(CN2CC[C@H](CO)C2)c1C(OC)OC ZINC001169205981 1079205335 /nfs/dbraw/zinc/20/53/35/1079205335.db2.gz UGGLUJQMTYNESC-HNNXBMFYSA-N 0 3 402.495 2.203 20 0 HEADHN CC(C)CN1N=C(C(=O)Nc2cccc3c2CCN(CC(C)(C)O)C3)CCC1=O ZINC000766653063 1079221186 /nfs/dbraw/zinc/22/11/86/1079221186.db2.gz BHFDMSFJAQNFJK-UHFFFAOYSA-N 0 3 400.523 2.389 20 0 HEADHN NCc1cnnn1-c1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC001169307688 1079231599 /nfs/dbraw/zinc/23/15/99/1079231599.db2.gz AHZXMLHNSSETRG-UHFFFAOYSA-N 0 3 413.532 2.291 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CO1 ZINC001169387764 1079258075 /nfs/dbraw/zinc/25/80/75/1079258075.db2.gz OXYJYNSRAVDHDQ-CNNODRBYSA-N 0 3 401.507 2.149 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392773 1079263232 /nfs/dbraw/zinc/26/32/32/1079263232.db2.gz QRUGOUYMEIXNDV-BTHPGYMESA-N 0 3 423.579 2.085 20 0 HEADHN CCCNC(=O)c1ccc(O[C@H]2CCN([C@H]3CC[C@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416237 1079276672 /nfs/dbraw/zinc/27/66/72/1079276672.db2.gz BCBLITSGKKJUTR-YSIASYRMSA-N 0 3 404.507 2.390 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(CCN1CCCCC1)C2=O ZINC000766710477 1079297511 /nfs/dbraw/zinc/29/75/11/1079297511.db2.gz FMGBPWMQQHLQSB-IERDGZPVSA-N 0 3 408.543 2.478 20 0 HEADHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCc1nncn1-c1ccccc1 ZINC000766712746 1079300567 /nfs/dbraw/zinc/30/05/67/1079300567.db2.gz WMJRDQRNEWKHGH-UHFFFAOYSA-N 0 3 419.533 2.474 20 0 HEADHN Cc1ccc(CNC(=O)Cc2noc([C@@]3(O)CCN(Cc4ccccc4)C3)n2)cc1 ZINC000771365745 1079305130 /nfs/dbraw/zinc/30/51/30/1079305130.db2.gz QNHBOASCCNCSFB-HSZRJFAPSA-N 0 3 406.486 2.330 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC001169537843 1079325385 /nfs/dbraw/zinc/32/53/85/1079325385.db2.gz BQJHRMVQECZEBE-YBGOQADZSA-N 0 3 421.541 2.420 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000771459149 1079333577 /nfs/dbraw/zinc/33/35/77/1079333577.db2.gz GXEDUBFMKKBFIJ-UHFFFAOYSA-N 0 3 408.506 2.209 20 0 HEADHN CCOC(=O)N1CCC([C@H](C)NCc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC001169613678 1079352427 /nfs/dbraw/zinc/35/24/27/1079352427.db2.gz MQOWCBNMJYXLHV-ZDUSSCGKSA-N 0 3 403.570 2.345 20 0 HEADHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771583925 1079381159 /nfs/dbraw/zinc/38/11/59/1079381159.db2.gz WSLJGPNQUKVQEC-UAGQMJEPSA-N 0 3 411.543 2.116 20 0 HEADHN O=C(/C=C/c1ccc(I)o1)NC1CCN([C@H]2CCOC2)CC1 ZINC000771583647 1079381193 /nfs/dbraw/zinc/38/11/93/1079381193.db2.gz ZRAHCYIOQPFBBS-OHVSUOQFSA-N 0 3 416.259 2.267 20 0 HEADHN O=C(/C=C\c1ccc(I)o1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771583648 1079381465 /nfs/dbraw/zinc/38/14/65/1079381465.db2.gz ZRAHCYIOQPFBBS-QDOCKXBDSA-N 0 3 416.259 2.267 20 0 HEADHN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000804337509 1079390649 /nfs/dbraw/zinc/39/06/49/1079390649.db2.gz CZAOUDMPFGKEMQ-IDHHARJASA-N 0 3 418.513 2.093 20 0 HEADHN CS(=O)(=O)N1CCN(c2cccc(N[C@@H]3CCO[C@@H](c4ccccc4)C3)n2)CC1 ZINC001169755052 1079397374 /nfs/dbraw/zinc/39/73/74/1079397374.db2.gz KCHSVOPWJXXGSK-RTBURBONSA-N 0 3 416.547 2.495 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000771658338 1079427961 /nfs/dbraw/zinc/42/79/61/1079427961.db2.gz RGNKBQZPKRJQOJ-OAHLLOKOSA-N 0 3 414.472 2.096 20 0 HEADHN Cc1ccc(N2C[C@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)CC2=O)cc1F ZINC000771661776 1079432181 /nfs/dbraw/zinc/43/21/81/1079432181.db2.gz UAWXGXJUBSVJRE-QGZVFWFLSA-N 0 3 404.530 2.019 20 0 HEADHN CNC(=O)c1ccc(CN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)C2CC2)cc1 ZINC000771753937 1079484236 /nfs/dbraw/zinc/48/42/36/1079484236.db2.gz OEAQJLDNOPVRTJ-QFIPXVFZSA-N 0 3 408.546 2.430 20 0 HEADHN CN(Cc1ccccn1)C(=O)c1nn([C@@H]2CCCC3(C2)OCCO3)c2c1CNCC2 ZINC001169945877 1079488049 /nfs/dbraw/zinc/48/80/49/1079488049.db2.gz QELYGVWUJNPWGR-QGZVFWFLSA-N 0 3 411.506 2.054 20 0 HEADHN CN(Cc1ccccn1)C(=O)c1nn([C@H]2CCCC3(C2)OCCO3)c2c1CNCC2 ZINC001169945876 1079488363 /nfs/dbraw/zinc/48/83/63/1079488363.db2.gz QELYGVWUJNPWGR-KRWDZBQOSA-N 0 3 411.506 2.054 20 0 HEADHN Cc1nc(CN2CCOC[C@@]3(CN([C@H]4CCCC5(C4)OCCO5)CCO3)C2)cs1 ZINC001169948953 1079490204 /nfs/dbraw/zinc/49/02/04/1079490204.db2.gz LMHBDDDBVQWMOQ-PMACEKPBSA-N 0 3 423.579 2.040 20 0 HEADHN Cc1nc(CN2CCOC[C@]3(CN([C@@H]4CCCC5(C4)OCCO5)CCO3)C2)cs1 ZINC001169948956 1079490305 /nfs/dbraw/zinc/49/03/05/1079490305.db2.gz LMHBDDDBVQWMOQ-WOJBJXKFSA-N 0 3 423.579 2.040 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000737821240 1075933446 /nfs/dbraw/zinc/93/34/46/1075933446.db2.gz REKASCNFGKDFGQ-QWHCGFSZSA-N 0 3 406.280 2.296 20 0 HEADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738367838 1075991384 /nfs/dbraw/zinc/99/13/84/1075991384.db2.gz YXDYPNPHPCADCI-CYBMUJFWSA-N 0 3 409.383 2.425 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCCC[C@H]1C ZINC000739073416 1076038015 /nfs/dbraw/zinc/03/80/15/1076038015.db2.gz ZVAGXXDORYYHNS-KZNAEPCWSA-N 0 3 402.539 2.229 20 0 HEADHN O=C(Nc1ccccc1N1CCOC1=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739116758 1076045528 /nfs/dbraw/zinc/04/55/28/1076045528.db2.gz BDTGKXNGUPCIRY-UHFFFAOYSA-N 0 3 400.479 2.059 20 0 HEADHN Cc1cc(=O)oc2cc(OCCN3CCCC[C@@H]3CCNS(C)(=O)=O)ccc12 ZINC000740875310 1076277976 /nfs/dbraw/zinc/27/79/76/1076277976.db2.gz RVLPXCGOZPOVGD-MRXNPFEDSA-N 0 3 408.520 2.274 20 0 HEADHN CCCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000740881369 1076280805 /nfs/dbraw/zinc/28/08/05/1076280805.db2.gz AOXNTNFDNBBTBR-VHGGIHSPSA-N 0 3 420.554 2.044 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000741056102 1076346758 /nfs/dbraw/zinc/34/67/58/1076346758.db2.gz CXWYNHPLRUYMDX-HKUYNNGSSA-N 0 3 408.568 2.306 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000741056105 1076346775 /nfs/dbraw/zinc/34/67/75/1076346775.db2.gz CXWYNHPLRUYMDX-PKOBYXMFSA-N 0 3 408.568 2.306 20 0 HEADHN COc1cc(CN(C)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c(SC)cc1OC ZINC000741274347 1076440564 /nfs/dbraw/zinc/44/05/64/1076440564.db2.gz DZORSHHNFFTACV-CVEARBPZSA-N 0 3 409.552 2.430 20 0 HEADHN NS(=O)(=O)c1ccc(OCCOC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000741333241 1076480493 /nfs/dbraw/zinc/48/04/93/1076480493.db2.gz YTQOBXJQQQMTRB-UHFFFAOYSA-N 0 3 418.515 2.168 20 0 HEADHN O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000741409984 1076513028 /nfs/dbraw/zinc/51/30/28/1076513028.db2.gz WPUMJNHQRNKIDG-HSZRJFAPSA-N 0 3 424.501 2.079 20 0 HEADHN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@H]1CCCN(C)C1 ZINC000741626958 1076570848 /nfs/dbraw/zinc/57/08/48/1076570848.db2.gz YSMZGDNLDFPVIY-WMZHIEFXSA-N 0 3 408.502 2.159 20 0 HEADHN CC(C)c1ccc(N2CC[C@H](C(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000741691203 1076588201 /nfs/dbraw/zinc/58/82/01/1076588201.db2.gz KMHUYEPDKKWBLE-GHTZIAJQSA-N 0 3 400.567 2.163 20 0 HEADHN CN(C[C@@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000741777830 1076624141 /nfs/dbraw/zinc/62/41/41/1076624141.db2.gz LOBYCWKJOVRQCD-INIZCTEOSA-N 0 3 408.543 2.430 20 0 HEADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000742117299 1076747570 /nfs/dbraw/zinc/74/75/70/1076747570.db2.gz AJFGBHOGNIMEMK-INIZCTEOSA-N 0 3 411.543 2.460 20 0 HEADHN C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742162976 1076772846 /nfs/dbraw/zinc/77/28/46/1076772846.db2.gz LLBZEQACVJRUFW-HNAYVOBHSA-N 0 3 424.423 2.256 20 0 HEADHN S=c1n(CN2CC[C@H](N3CC=CC3)C2)nc(N2CCOCC2)n1-c1ccccc1 ZINC000742163084 1076773477 /nfs/dbraw/zinc/77/34/77/1076773477.db2.gz PEYFRSKVQCQMCE-IBGZPJMESA-N 0 3 412.563 2.143 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)n(C)c1 ZINC000742397070 1076834070 /nfs/dbraw/zinc/83/40/70/1076834070.db2.gz LLSFXDUIFLCHJN-FQEVSTJZSA-N 0 3 420.579 2.397 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)N(C)C)cc1 ZINC000742402145 1076837829 /nfs/dbraw/zinc/83/78/29/1076837829.db2.gz QXYAHDYKHDUXAY-HYBUGGRVSA-N 0 3 420.513 2.107 20 0 HEADHN CC(C)N1C(=O)c2ccc(C(=O)NC[C@@H](C)N3CCC(C)CC3)cc2S1(=O)=O ZINC000742401912 1076837901 /nfs/dbraw/zinc/83/79/01/1076837901.db2.gz LKLRBTLTQVEOEX-OAHLLOKOSA-N 0 3 407.536 2.090 20 0 HEADHN CCN1CCN(CCNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000742669708 1076862942 /nfs/dbraw/zinc/86/29/42/1076862942.db2.gz OAOFGXJDVUKOSZ-UHFFFAOYSA-N 0 3 402.417 2.165 20 0 HEADHN COC(=O)CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)C1CCOCC1 ZINC000742961452 1076906951 /nfs/dbraw/zinc/90/69/51/1076906951.db2.gz BMQKDROHZYWNTM-UHFFFAOYSA-N 0 3 417.550 2.401 20 0 HEADHN S=C(NC1CCN(Cc2ccccc2)CC1)N1CCC[C@@H]1CN1CCOCC1 ZINC000743006970 1076922933 /nfs/dbraw/zinc/92/29/33/1076922933.db2.gz MYSZXSBGKNQLHM-OAQYLSRUSA-N 0 3 402.608 2.322 20 0 HEADHN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000743235757 1077010633 /nfs/dbraw/zinc/01/06/33/1077010633.db2.gz CHPOYYHMPMJEHO-HNNXBMFYSA-N 0 3 413.927 2.241 20 0 HEADHN CC(=O)Nc1cc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)c(F)cc1F ZINC000743369164 1077034073 /nfs/dbraw/zinc/03/40/73/1077034073.db2.gz NLBMVJFAKQZLLD-HNNXBMFYSA-N 0 3 418.444 2.151 20 0 HEADHN Cc1ccc(CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC(F)(F)F)cc1 ZINC000743370366 1077034370 /nfs/dbraw/zinc/03/43/70/1077034370.db2.gz IZUIFPVGEZJZHP-UHFFFAOYSA-N 0 3 412.456 2.376 20 0 HEADHN CC(=O)Nc1cc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)c(F)cc1F ZINC000743392183 1077040309 /nfs/dbraw/zinc/04/03/09/1077040309.db2.gz XXORLOJCSAZXSQ-HNNXBMFYSA-N 0 3 418.444 2.151 20 0 HEADHN C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)Oc1cccc(Br)c1 ZINC000743594670 1077078018 /nfs/dbraw/zinc/07/80/18/1077078018.db2.gz VVNBQEWBRLXQGK-UNEWFSDZSA-N 0 3 412.328 2.379 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000743889375 1077183133 /nfs/dbraw/zinc/18/31/33/1077183133.db2.gz NLIWULUUQTXGTD-UHFFFAOYSA-N 0 3 424.501 2.481 20 0 HEADHN Cc1ccnc(Oc2cc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)ccc2C)c1 ZINC000743913977 1077192641 /nfs/dbraw/zinc/19/26/41/1077192641.db2.gz JFTNGHZESYITQH-MOPGFXCFSA-N 0 3 424.501 2.409 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000743897143 1077209145 /nfs/dbraw/zinc/20/91/45/1077209145.db2.gz NMARJZPIWNEWDU-GOEBONIOSA-N 0 3 402.495 2.127 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1OCc1ccncc1 ZINC000743979175 1077292876 /nfs/dbraw/zinc/29/28/76/1077292876.db2.gz SYEZSHYSTZUCOF-MRXNPFEDSA-N 0 3 412.490 2.208 20 0 HEADHN CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000743981807 1077294142 /nfs/dbraw/zinc/29/41/42/1077294142.db2.gz SAHWOJFMDQHBCK-KRWDZBQOSA-N 0 3 402.539 2.488 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000743981852 1077294928 /nfs/dbraw/zinc/29/49/28/1077294928.db2.gz SVSOSAMGMKJVJD-QGZVFWFLSA-N 0 3 400.523 2.242 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000743981851 1077294970 /nfs/dbraw/zinc/29/49/70/1077294970.db2.gz SVSOSAMGMKJVJD-KRWDZBQOSA-N 0 3 400.523 2.242 20 0 HEADHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000766328432 1077812106 /nfs/dbraw/zinc/81/21/06/1077812106.db2.gz DQYDFMIMUFBIMQ-ROUUACIJSA-N 0 3 417.554 2.319 20 0 HEADHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000766328429 1077812171 /nfs/dbraw/zinc/81/21/71/1077812171.db2.gz DQYDFMIMUFBIMQ-MSOLQXFVSA-N 0 3 417.554 2.319 20 0 HEADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766959318 1079523421 /nfs/dbraw/zinc/52/34/21/1079523421.db2.gz FCFAXZRMWFMNNR-STZQEDGTSA-N 0 3 411.550 2.045 20 0 HEADHN C[C@H](CC(=O)N1CC[C@H](N2CC[C@@H](O)C2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001156993784 1079630516 /nfs/dbraw/zinc/63/05/16/1079630516.db2.gz WTMUAWKQALLENU-YDZRNGNQSA-N 0 3 409.571 2.327 20 0 HEADHN CN1CC[C@@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)[C@H]1c1ccccc1 ZINC000772028856 1079686992 /nfs/dbraw/zinc/68/69/92/1079686992.db2.gz DYMNCIWCGSTRNH-TZIWHRDSSA-N 0 3 423.517 2.179 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(CC2CCCCC2)CC1 ZINC000767169520 1079705141 /nfs/dbraw/zinc/70/51/41/1079705141.db2.gz DAJWGWOVQJOKFV-KRWDZBQOSA-N 0 3 400.589 2.035 20 0 HEADHN NC(=O)COc1ccc(CN[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000767192601 1079729156 /nfs/dbraw/zinc/72/91/56/1079729156.db2.gz RCMIUFXTOLGZAB-INIZCTEOSA-N 0 3 421.419 2.460 20 0 HEADHN COC(=O)/C=C\c1ccc(OCCN[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000767337673 1079810770 /nfs/dbraw/zinc/81/07/70/1079810770.db2.gz NIHRDZVQOLZNSG-MEODZPNASA-N 0 3 404.488 2.250 20 0 HEADHN CCOC(=O)C1=C(CN(C)CCCn2ccnc2C)NC(=O)N[C@@H]1c1ccccc1 ZINC000767450773 1079878006 /nfs/dbraw/zinc/87/80/06/1079878006.db2.gz VCANGCWJESPORP-HXUWFJFHSA-N 0 3 411.506 2.385 20 0 HEADHN CCOC(=O)C1C(CN(C)CCCn2ccnc2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000767450773 1079878008 /nfs/dbraw/zinc/87/80/08/1079878008.db2.gz VCANGCWJESPORP-HXUWFJFHSA-N 0 3 411.506 2.385 20 0 HEADHN CN1CCN(CCCNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000767461128 1079884523 /nfs/dbraw/zinc/88/45/23/1079884523.db2.gz GBFUMLUBGGYMDK-QFIPXVFZSA-N 0 3 404.555 2.180 20 0 HEADHN Cc1ncc(CCNC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)s1 ZINC000772630395 1079988947 /nfs/dbraw/zinc/98/89/47/1079988947.db2.gz PBXFEPOFFXGMDQ-UHFFFAOYSA-N 0 3 401.580 2.453 20 0 HEADHN Cn1ccnc1[C@H](O)C1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000772595686 1080000832 /nfs/dbraw/zinc/00/08/32/1080000832.db2.gz XWAOKEIMXQQLQG-GOSISDBHSA-N 0 3 421.611 2.237 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C2CC2)C1 ZINC000772602117 1080002924 /nfs/dbraw/zinc/00/29/24/1080002924.db2.gz SUPIZIYUYIMDGX-KSZLIROESA-N 0 3 408.543 2.033 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C2CC2)C1 ZINC000772602119 1080003038 /nfs/dbraw/zinc/00/30/38/1080003038.db2.gz SUPIZIYUYIMDGX-OKZBNKHCSA-N 0 3 408.543 2.033 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)n(CC)c2C)CC1=O ZINC000785639671 1080086107 /nfs/dbraw/zinc/08/61/07/1080086107.db2.gz DMYBWKKMZULJJE-QZTJIDSGSA-N 0 3 403.523 2.184 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)n(CC)c2C)CC1=O ZINC000785639669 1080086250 /nfs/dbraw/zinc/08/62/50/1080086250.db2.gz DMYBWKKMZULJJE-MSOLQXFVSA-N 0 3 403.523 2.184 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2ccc(OC)c(Cl)c2)CC1=O ZINC000785642095 1080088886 /nfs/dbraw/zinc/08/88/86/1080088886.db2.gz NJKQBQMRAQNZMV-HZPDHXFCSA-N 0 3 422.909 2.407 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(F)c(C)cc2F)CC1=O ZINC000785651208 1080100084 /nfs/dbraw/zinc/10/00/84/1080100084.db2.gz DKWTYAYIVVSUCZ-LSDHHAIUSA-N 0 3 408.445 2.332 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)CC1=O ZINC000785657336 1080176822 /nfs/dbraw/zinc/17/68/22/1080176822.db2.gz VYJXCYHRKBXKLA-HKUYNNGSSA-N 0 3 415.534 2.499 20 0 HEADHN CCN1CCN(CCNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000767920505 1080215800 /nfs/dbraw/zinc/21/58/00/1080215800.db2.gz CXFKYTCGOOIXMT-QFIPXVFZSA-N 0 3 404.555 2.180 20 0 HEADHN CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000785712324 1080220452 /nfs/dbraw/zinc/22/04/52/1080220452.db2.gz HXQLJRILEZHTPU-IBGZPJMESA-N 0 3 402.491 2.241 20 0 HEADHN NC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785713334 1080221622 /nfs/dbraw/zinc/22/16/22/1080221622.db2.gz LLCIDPYAKNQZKF-OAQYLSRUSA-N 0 3 414.477 2.283 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000785769186 1080239076 /nfs/dbraw/zinc/23/90/76/1080239076.db2.gz IHXSQTLYWAFZKL-INIZCTEOSA-N 0 3 406.502 2.379 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3COc4ccccc43)cc2)CC1 ZINC000785778687 1080242244 /nfs/dbraw/zinc/24/22/44/1080242244.db2.gz XJSWOLIZBJUHIS-HXUWFJFHSA-N 0 3 409.486 2.486 20 0 HEADHN Cc1ccc(N2C[C@H](C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)CC2=O)cc1F ZINC000785809620 1080254071 /nfs/dbraw/zinc/25/40/71/1080254071.db2.gz PZBIHXQEFDOFAT-DLBZAZTESA-N 0 3 403.498 2.199 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CC3(Cl)Cl)c2)CC1 ZINC000768012617 1080280983 /nfs/dbraw/zinc/28/09/83/1080280983.db2.gz XQWHEBZQNYABQG-CQSZACIVSA-N 0 3 413.349 2.466 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccnn1-c1ccccc1 ZINC000768029367 1080294052 /nfs/dbraw/zinc/29/40/52/1080294052.db2.gz XNEZYAAVNXGTRT-UHFFFAOYSA-N 0 3 405.502 2.444 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000768071217 1080295566 /nfs/dbraw/zinc/29/55/66/1080295566.db2.gz OZSPMHLIVOPUSW-HUUCEWRRSA-N 0 3 402.322 2.361 20 0 HEADHN Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000785984041 1080345025 /nfs/dbraw/zinc/34/50/25/1080345025.db2.gz CBWBHKLJQPKYNK-MRXNPFEDSA-N 0 3 400.523 2.064 20 0 HEADHN C[C@@H](NCc1ccc(-n2cncn2)nc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203094 1080394124 /nfs/dbraw/zinc/39/41/24/1080394124.db2.gz YWEAVCQFEHHIQH-YLJYHZDGSA-N 0 3 422.489 2.178 20 0 HEADHN CC(C)(C)OC(=O)NCCN(CCO)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000768247363 1080438144 /nfs/dbraw/zinc/43/81/44/1080438144.db2.gz HNKKRMPTLDIELJ-IBGZPJMESA-N 0 3 420.554 2.180 20 0 HEADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCC[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC000786313282 1080558023 /nfs/dbraw/zinc/55/80/23/1080558023.db2.gz QVWSGPJZBBYDET-INIZCTEOSA-N 0 3 413.540 2.300 20 0 HEADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC000786313282 1080558032 /nfs/dbraw/zinc/55/80/32/1080558032.db2.gz QVWSGPJZBBYDET-INIZCTEOSA-N 0 3 413.540 2.300 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)N1CCCCC1 ZINC000786410082 1080589392 /nfs/dbraw/zinc/58/93/92/1080589392.db2.gz PWDRAUYXHYFSKL-QGZVFWFLSA-N 0 3 424.586 2.321 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@H](C)N(C)Cc2ccccc2)n1 ZINC000786734820 1080783771 /nfs/dbraw/zinc/78/37/71/1080783771.db2.gz KZZWQOXXXGKWRA-KRWDZBQOSA-N 0 3 421.567 2.268 20 0 HEADHN CCN1CCN(CCCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000786765416 1080807034 /nfs/dbraw/zinc/80/70/34/1080807034.db2.gz KIQOOGNQFZSSEE-UHFFFAOYSA-N 0 3 404.555 2.469 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000746604042 1080822677 /nfs/dbraw/zinc/82/26/77/1080822677.db2.gz YRXURCSERVKCRS-AWEZNQCLSA-N 0 3 422.986 2.029 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC001169997519 1080840749 /nfs/dbraw/zinc/84/07/49/1080840749.db2.gz ASPJCIJPQZTKHV-NRFANRHFSA-N 0 3 401.551 2.373 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)CC1 ZINC001169997527 1080841469 /nfs/dbraw/zinc/84/14/69/1080841469.db2.gz AVOCKJAGVYNNPJ-HOTGVXAUSA-N 0 3 408.461 2.074 20 0 HEADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000768923339 1080859685 /nfs/dbraw/zinc/85/96/85/1080859685.db2.gz MBYVXNFZTJBMDK-QGZVFWFLSA-N 0 3 419.570 2.146 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2)CC1 ZINC000768928892 1080862965 /nfs/dbraw/zinc/86/29/65/1080862965.db2.gz LKSSVLUDVRQOIU-HSZRJFAPSA-N 0 3 421.501 2.135 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000769044251 1080893256 /nfs/dbraw/zinc/89/32/56/1080893256.db2.gz XERMPUQSKYMRDS-IBGZPJMESA-N 0 3 404.555 2.395 20 0 HEADHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000787009215 1080927346 /nfs/dbraw/zinc/92/73/46/1080927346.db2.gz VQSWFFLCRILWPG-JKSUJKDBSA-N 0 3 424.567 2.014 20 0 HEADHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2cc(-n3cnnn3)ccc2F)C12CCCCC2 ZINC001170002528 1081000618 /nfs/dbraw/zinc/00/06/18/1081000618.db2.gz NPJCYKVDIYNPKX-QZTJIDSGSA-N 0 3 402.474 2.457 20 0 HEADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000769266668 1081021917 /nfs/dbraw/zinc/02/19/17/1081021917.db2.gz GFOANTGPOSZRIR-FQEVSTJZSA-N 0 3 420.517 2.479 20 0 HEADHN CCN(CC)CC(=O)N1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769317536 1081040623 /nfs/dbraw/zinc/04/06/23/1081040623.db2.gz RFJRMCNFARUVDQ-UHFFFAOYSA-N 0 3 405.543 2.415 20 0 HEADHN CN(CC(=O)NC1CCC2(CC1)OCCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661459 1081043623 /nfs/dbraw/zinc/04/36/23/1081043623.db2.gz IUWKGMRFNWNRPH-UHFFFAOYSA-N 0 3 411.543 2.120 20 0 HEADHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc2c(c1)CC(=O)N2C ZINC000787175201 1081045291 /nfs/dbraw/zinc/04/52/91/1081045291.db2.gz VZFGMUJBHJAUGP-JKSUJKDBSA-N 0 3 400.523 2.161 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1ccc(OCc2ccccn2)cc1)N1CCCCC1 ZINC000787176420 1081045726 /nfs/dbraw/zinc/04/57/26/1081045726.db2.gz WGVPPZAIXFUXLE-GOSISDBHSA-N 0 3 410.518 2.267 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1OC(C)C ZINC000787232814 1081080638 /nfs/dbraw/zinc/08/06/38/1081080638.db2.gz GXFFLDHBEUMOMG-QGZVFWFLSA-N 0 3 405.539 2.335 20 0 HEADHN COc1cc(CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)ccc1OC(C)C ZINC000787234376 1081082489 /nfs/dbraw/zinc/08/24/89/1081082489.db2.gz NEVOYCPVDQUDPP-GOSISDBHSA-N 0 3 403.523 2.185 20 0 HEADHN COc1cc(CNC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)ccc1OC(C)C ZINC000787239441 1081085691 /nfs/dbraw/zinc/08/56/91/1081085691.db2.gz LPZBHVZRYHCDGT-SJORKVTESA-N 0 3 405.539 2.335 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769534963 1081112963 /nfs/dbraw/zinc/11/29/63/1081112963.db2.gz ZVPBOCJWSLRKCA-KRWDZBQOSA-N 0 3 403.527 2.167 20 0 HEADHN CN(C)[C@H](CNC(=O)c1nccn2c(Br)cnc12)Cc1ccccc1 ZINC000769627327 1081144415 /nfs/dbraw/zinc/14/44/15/1081144415.db2.gz JAWIJDGUAXOHPY-AWEZNQCLSA-N 0 3 402.296 2.395 20 0 HEADHN NS(=O)(=O)c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164629155 719072772 /nfs/dbraw/zinc/07/27/72/719072772.db2.gz WCQFBDYWRBTXRN-QAPCUYQASA-N 0 3 406.939 2.483 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)N3CCC[C@@H](C)C3)cn1)CC2 ZINC001164689872 719740650 /nfs/dbraw/zinc/74/06/50/719740650.db2.gz MXCJZOWVVRLZAN-GOSISDBHSA-N 0 3 413.566 2.135 20 0 HEADHN CC1(C)NC(=O)N(Cc2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2)C1=O ZINC001164731483 720448100 /nfs/dbraw/zinc/44/81/00/720448100.db2.gz KWQDYNWNOQLSAE-MOPGFXCFSA-N 0 3 420.517 2.160 20 0 HEADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745740 720628551 /nfs/dbraw/zinc/62/85/51/720628551.db2.gz WHBGMSRMHYRQLG-MOPGFXCFSA-N 0 3 422.533 2.276 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc2c1 ZINC001164737059 720683235 /nfs/dbraw/zinc/68/32/35/720683235.db2.gz CUADPXXIAVKDPL-QZTJIDSGSA-N 0 3 405.458 2.153 20 0 HEADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164740088 720709246 /nfs/dbraw/zinc/70/92/46/720709246.db2.gz PSAAZHLOQVZLTR-UONOGXRCSA-N 0 3 412.881 2.424 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164743174 720710341 /nfs/dbraw/zinc/71/03/41/720710341.db2.gz WQKMXSZRBNUEMY-NEPJUHHUSA-N 0 3 403.899 2.180 20 0 HEADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741400 720713506 /nfs/dbraw/zinc/71/35/06/720713506.db2.gz SXAKCBBYLFQFNK-ZWKOTPCHSA-N 0 3 414.941 2.463 20 0 HEADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741912 720728088 /nfs/dbraw/zinc/72/80/88/720728088.db2.gz NIJVSYGEGGNQRQ-SJORKVTESA-N 0 3 405.458 2.153 20 0 HEADHN CCOC(=O)c1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccc1Cl ZINC001164745372 720740668 /nfs/dbraw/zinc/74/06/68/720740668.db2.gz VHTVUVWROXGSKD-ZIAGYGMSSA-N 0 3 403.870 2.044 20 0 HEADHN COc1ccccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164737195 720765576 /nfs/dbraw/zinc/76/55/76/720765576.db2.gz ANNHVMBQXJEFLG-IAGOWNOFSA-N 0 3 404.474 2.284 20 0 HEADHN COc1cc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)cc2cc1OC ZINC001164745319 720772460 /nfs/dbraw/zinc/77/24/60/720772460.db2.gz VCZPXTUTGXHLLH-QZTJIDSGSA-N 0 3 407.474 2.384 20 0 HEADHN NC(=S)c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2sccc21 ZINC001164744904 720805809 /nfs/dbraw/zinc/80/58/09/720805809.db2.gz JPOHGVROKGYPIQ-CHWSQXEVSA-N 0 3 412.544 2.062 20 0 HEADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164747865 720805982 /nfs/dbraw/zinc/80/59/82/720805982.db2.gz PPXXEUFGFFHYQH-GJZGRUSLSA-N 0 3 405.437 2.382 20 0 HEADHN COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]2C1 ZINC001164860911 720868926 /nfs/dbraw/zinc/86/89/26/720868926.db2.gz XHMGDARGILAERZ-NWDGAFQWSA-N 0 3 408.902 2.137 20 0 HEADHN COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]2C1 ZINC001164860911 720868927 /nfs/dbraw/zinc/86/89/27/720868927.db2.gz XHMGDARGILAERZ-NWDGAFQWSA-N 0 3 408.902 2.137 20 0 HEADHN O=C(c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCCC1 ZINC001164869239 721043699 /nfs/dbraw/zinc/04/36/99/721043699.db2.gz SQAWFPCYHXUWBI-WOJBJXKFSA-N 0 3 407.518 2.192 20 0 HEADHN Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C(N)=O ZINC001164867063 721050330 /nfs/dbraw/zinc/05/03/30/721050330.db2.gz HFJRPSGVGLIOFN-CVEARBPZSA-N 0 3 401.898 2.017 20 0 HEADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867485 721058106 /nfs/dbraw/zinc/05/81/06/721058106.db2.gz JFGBGPINUOFEQO-RBUKOAKNSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164867483 721058726 /nfs/dbraw/zinc/05/87/26/721058726.db2.gz JFGBGPINUOFEQO-OALUTQOASA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164769570 721086960 /nfs/dbraw/zinc/08/69/60/721086960.db2.gz OVOMECOTABEQDF-QZTJIDSGSA-N 0 3 406.490 2.108 20 0 HEADHN COc1cc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164772640 721091353 /nfs/dbraw/zinc/09/13/53/721091353.db2.gz VJHNURRRXLHWPN-IAGOWNOFSA-N 0 3 408.506 2.339 20 0 HEADHN O=C(c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1)N1CCCC1 ZINC001164866338 721117016 /nfs/dbraw/zinc/11/70/16/721117016.db2.gz SMAJIAPWSRZGIS-LEWJYISDSA-N 0 3 407.518 2.192 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1C ZINC001164877647 721136485 /nfs/dbraw/zinc/13/64/85/721136485.db2.gz PMTVWSSSYNSJPE-HZPDHXFCSA-N 0 3 413.913 2.200 20 0 HEADHN COc1cc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c(OC)c1 ZINC001164773773 721146641 /nfs/dbraw/zinc/14/66/41/721146641.db2.gz YWCIFROHVNTJEL-SJORKVTESA-N 0 3 408.506 2.339 20 0 HEADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879848 721155207 /nfs/dbraw/zinc/15/52/07/721155207.db2.gz UMPBOURQDSMUDW-YADHBBJMSA-N 0 3 417.513 2.166 20 0 HEADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164880749 721164615 /nfs/dbraw/zinc/16/46/15/721164615.db2.gz XLZRJRWFHAJSID-WOJBJXKFSA-N 0 3 422.533 2.024 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NC1CC1 ZINC001164890876 721378866 /nfs/dbraw/zinc/37/88/66/721378866.db2.gz OSJHMCGSHFKGJW-UGKGYDQZSA-N 0 3 400.571 2.125 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887140 721406674 /nfs/dbraw/zinc/40/66/74/721406674.db2.gz LDMHXCGPYIAFCF-MGPUTAFESA-N 0 3 404.946 2.377 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900494 721511505 /nfs/dbraw/zinc/51/15/05/721511505.db2.gz RGQBZABHQGVVHF-HIFRSBDPSA-N 0 3 406.845 2.398 20 0 HEADHN CCOC(=O)c1cc(C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896260 721523450 /nfs/dbraw/zinc/52/34/50/721523450.db2.gz AEKVAHYMMYAYCH-AEFFLSMTSA-N 0 3 400.454 2.443 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(CN(C)C5CC5)cn4)C[C@@H]32)cc1 ZINC001165027466 721796902 /nfs/dbraw/zinc/79/69/02/721796902.db2.gz VUWOVKCVMIPSMJ-VXKWHMMOSA-N 0 3 422.529 2.301 20 0 HEADHN CN(Cc1ccc(N2CC[C@]3(C[C@H](OCC(=O)N4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164939530 721918971 /nfs/dbraw/zinc/91/89/71/721918971.db2.gz UNOFBBLRAKUNCA-REWPJTCUSA-N 0 3 414.550 2.053 20 0 HEADHN Cc1cn(-c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)cn1 ZINC001164960713 722058325 /nfs/dbraw/zinc/05/83/25/722058325.db2.gz ITFIAVKOHUJQER-UHFFFAOYSA-N 0 3 419.533 2.485 20 0 HEADHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]21 ZINC001164968754 722081203 /nfs/dbraw/zinc/08/12/03/722081203.db2.gz DWFKFXGJSZMYTO-HJNYFJLDSA-N 0 3 408.550 2.388 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2[nH]1 ZINC001164978238 722109013 /nfs/dbraw/zinc/10/90/13/722109013.db2.gz OAMRASXJOREFNI-CVEARBPZSA-N 0 3 413.913 2.437 20 0 HEADHN COCc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164983142 722115753 /nfs/dbraw/zinc/11/57/53/722115753.db2.gz YJYHUDITZCBPHK-HKUYNNGSSA-N 0 3 415.563 2.467 20 0 HEADHN COc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164981158 722117440 /nfs/dbraw/zinc/11/74/40/722117440.db2.gz TZFRMHGSINKZMG-DLBZAZTESA-N 0 3 401.536 2.329 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983757 722127474 /nfs/dbraw/zinc/12/74/74/722127474.db2.gz ZYFSJIUTYQHDFJ-QAPCUYQASA-N 0 3 413.909 2.101 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984667 722148768 /nfs/dbraw/zinc/14/87/68/722148768.db2.gz YINWBSJNHYFQPO-CVEARBPZSA-N 0 3 417.897 2.039 20 0 HEADHN C[C@@H]([NH2+]C1(C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CCOCC1)c1ccccc1 ZINC000769898424 1078619724 /nfs/dbraw/zinc/61/97/24/1078619724.db2.gz BRFMVKITVBGPLI-CQSZACIVSA-N 0 3 412.943 2.252 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000745744828 1078632999 /nfs/dbraw/zinc/63/29/99/1078632999.db2.gz XLORRFRMEOSPNW-HXUWFJFHSA-N 0 3 402.539 2.456 20 0 HEADHN C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000745783175 1078641322 /nfs/dbraw/zinc/64/13/22/1078641322.db2.gz ZDGCZCMCIKIQRE-QFBILLFUSA-N 0 3 404.511 2.456 20 0 HEADHN C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1cccc(N2CCOC2=O)c1 ZINC000745783074 1078641396 /nfs/dbraw/zinc/64/13/96/1078641396.db2.gz YPCZYQVPCZODKG-QFBILLFUSA-N 0 3 404.511 2.456 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745792103 1078649492 /nfs/dbraw/zinc/64/94/92/1078649492.db2.gz ASOLXWVLMMYFAS-SFHVURJKSA-N 0 3 412.575 2.386 20 0 HEADHN C[C@@H](CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)CN1CCN(C)CC1 ZINC000745862736 1078677768 /nfs/dbraw/zinc/67/77/68/1078677768.db2.gz NVQBYAKOEBJQHP-GUYCJALGSA-N 0 3 403.354 2.210 20 0 HEADHN CC(C)N(CCN(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000770008375 1078684048 /nfs/dbraw/zinc/68/40/48/1078684048.db2.gz PLHVFWLWOVIZMK-IBGZPJMESA-N 0 3 412.893 2.045 20 0 HEADHN C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H](c1ccccc1)N(C)C ZINC000770046457 1078703507 /nfs/dbraw/zinc/70/35/07/1078703507.db2.gz GSFVYAQIPSNVGR-KXBFYZLASA-N 0 3 405.520 2.485 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)n(C)c1 ZINC000770050321 1078704919 /nfs/dbraw/zinc/70/49/19/1078704919.db2.gz QESCQSWTVHCVIA-JXFKEZNVSA-N 0 3 420.579 2.477 20 0 HEADHN COC(=O)CC(C)(C)NCC(=O)N(C)CCOc1ccc(Br)cc1 ZINC000770185088 1078752248 /nfs/dbraw/zinc/75/22/48/1078752248.db2.gz LUOHGFAPWIDENT-UHFFFAOYSA-N 0 3 401.301 2.218 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC3(CC)CCOCC3)cc2)CC1 ZINC000746045530 1078754909 /nfs/dbraw/zinc/75/49/09/1078754909.db2.gz MOLVZZQAJGAZLM-UHFFFAOYSA-N 0 3 402.539 2.090 20 0 HEADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)C1 ZINC000746046442 1078755937 /nfs/dbraw/zinc/75/59/37/1078755937.db2.gz PGVBHDRXKJKBGW-KRWDZBQOSA-N 0 3 424.549 2.458 20 0 HEADHN Cc1cc(C)c(N2C[C@@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2=O)c(C)c1 ZINC000770172169 1078768636 /nfs/dbraw/zinc/76/86/36/1078768636.db2.gz GRASXZOMXJNLPD-PMACEKPBSA-N 0 3 400.567 2.107 20 0 HEADHN COc1ccc2c(C)c(CCC(=O)N[C@H](C)CCN3CCN(C)CC3)c(=O)oc2c1 ZINC000770172097 1078767860 /nfs/dbraw/zinc/76/78/60/1078767860.db2.gz FWOUTCNOWPIBCB-MRXNPFEDSA-N 0 3 415.534 2.185 20 0 HEADHN CCCc1ccc(N2C[C@@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2=O)cc1 ZINC000770174109 1078769851 /nfs/dbraw/zinc/76/98/51/1078769851.db2.gz RYEISCSNTBURSJ-QUCCMNQESA-N 0 3 400.567 2.134 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770175369 1078770361 /nfs/dbraw/zinc/77/03/61/1078770361.db2.gz XGDJCAPFVLWJOD-CTNGQTDRSA-N 0 3 416.566 2.177 20 0 HEADHN CCOC(=O)N1CC[C@@H](Nc2cc(N[C@@H]3CCN(C(=O)OCC)C3)nc(C)n2)C1 ZINC000770221512 1078772772 /nfs/dbraw/zinc/77/27/72/1078772772.db2.gz LGWFNRQKGZCTEW-HUUCEWRRSA-N 0 3 406.487 2.070 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)CC1=O ZINC000746145419 1078805426 /nfs/dbraw/zinc/80/54/26/1078805426.db2.gz QFDIMIRECQYGKS-QGZVFWFLSA-N 0 3 414.550 2.440 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)NCc2cccc(C(=O)OCc3ccccc3)c2)CC1=O ZINC000746208873 1078818550 /nfs/dbraw/zinc/81/85/50/1078818550.db2.gz TVBIRBCPEZXVLE-NRFANRHFSA-N 0 3 423.513 2.070 20 0 HEADHN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000746209941 1078819206 /nfs/dbraw/zinc/81/92/06/1078819206.db2.gz FRBRQENRLFRGDC-AWEZNQCLSA-N 0 3 420.510 2.391 20 0 HEADHN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220648 1078824853 /nfs/dbraw/zinc/82/48/53/1078824853.db2.gz XVVSXTAEKUCKHR-WOJBJXKFSA-N 0 3 417.550 2.311 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220056 1078824969 /nfs/dbraw/zinc/82/49/69/1078824969.db2.gz QXNQFYVROOQHNM-WOJBJXKFSA-N 0 3 417.550 2.311 20 0 HEADHN Cc1cc(=O)oc2cc(OCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)ccc12 ZINC000746220725 1078825201 /nfs/dbraw/zinc/82/52/01/1078825201.db2.gz YWQAZEKQROTHCQ-LJQANCHMSA-N 0 3 422.481 2.016 20 0 HEADHN COc1cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000770319762 1078827752 /nfs/dbraw/zinc/82/77/52/1078827752.db2.gz BZBWIMYIEOXFBE-CVEARBPZSA-N 0 3 404.463 2.249 20 0 HEADHN Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770384409 1078835320 /nfs/dbraw/zinc/83/53/20/1078835320.db2.gz RMYNLBYRJPEKGF-MJGOQNOKSA-N 0 3 419.570 2.456 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000770337652 1078835991 /nfs/dbraw/zinc/83/59/91/1078835991.db2.gz TWZITQKTQVFOOM-KNQAVFIVSA-N 0 3 412.534 2.271 20 0 HEADHN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000770345515 1078837762 /nfs/dbraw/zinc/83/77/62/1078837762.db2.gz NZDVXXASGJFFOU-ZWKOTPCHSA-N 0 3 421.611 2.237 20 0 HEADHN Cc1noc(C)c1CN(C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746503645 1078848453 /nfs/dbraw/zinc/84/84/53/1078848453.db2.gz YDZGKOZHEUFCQA-JOCHJYFZSA-N 0 3 411.506 2.267 20 0 HEADHN CN(C[C@H]1CCCCO1)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746505255 1078848624 /nfs/dbraw/zinc/84/86/24/1078848624.db2.gz GAGQMMMQGGUYKQ-KNQAVFIVSA-N 0 3 400.523 2.031 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CC1=O ZINC000746315860 1078854978 /nfs/dbraw/zinc/85/49/78/1078854978.db2.gz ISRCEAKOVCASDW-HNNXBMFYSA-N 0 3 405.495 2.373 20 0 HEADHN CN(C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746358521 1078874359 /nfs/dbraw/zinc/87/43/59/1078874359.db2.gz CLRFTKVFOPLOSH-IRLDBZIGSA-N 0 3 419.529 2.230 20 0 HEADHN Cc1onc(-c2ccc(F)cc2)c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000766344573 1078870695 /nfs/dbraw/zinc/87/06/95/1078870695.db2.gz AAURQAXOUVGKQZ-KRWDZBQOSA-N 0 3 400.454 2.168 20 0 HEADHN Cc1cc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)ccn1 ZINC001170015262 1078881255 /nfs/dbraw/zinc/88/12/55/1078881255.db2.gz VEFXGDYTIKWJHJ-SJORKVTESA-N 0 3 406.552 2.391 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000770588611 1078899128 /nfs/dbraw/zinc/89/91/28/1078899128.db2.gz BWNWOQJZKFKLSH-CXAGYDPISA-N 0 3 403.354 2.352 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000770588623 1078899150 /nfs/dbraw/zinc/89/91/50/1078899150.db2.gz BWNWOQJZKFKLSH-SUMWQHHRSA-N 0 3 403.354 2.352 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000770588495 1078899173 /nfs/dbraw/zinc/89/91/73/1078899173.db2.gz APZCPVYGTINPOD-QZTJIDSGSA-N 0 3 411.591 2.053 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000770585750 1078897562 /nfs/dbraw/zinc/89/75/62/1078897562.db2.gz HBXVIXPKPLTXFM-KURKYZTESA-N 0 3 411.591 2.052 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000770585768 1078897919 /nfs/dbraw/zinc/89/79/19/1078897919.db2.gz HBXVIXPKPLTXFM-OKZBNKHCSA-N 0 3 411.591 2.052 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000770595805 1078900936 /nfs/dbraw/zinc/90/09/36/1078900936.db2.gz OLWKKKWBCYTOSB-DYESRHJHSA-N 0 3 406.546 2.307 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770602126 1078903132 /nfs/dbraw/zinc/90/31/32/1078903132.db2.gz QSABTRLCZHZLLY-PZJWPPBQSA-N 0 3 416.566 2.035 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000770604503 1078913133 /nfs/dbraw/zinc/91/31/33/1078913133.db2.gz JPUAMLHLLONIJM-FGTMMUONSA-N 0 3 411.591 2.052 20 0 HEADHN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000770607242 1078914355 /nfs/dbraw/zinc/91/43/55/1078914355.db2.gz PDRKDVBRNFJNNO-WOJBJXKFSA-N 0 3 409.619 2.131 20 0 HEADHN O=C(CCC(=O)N1CCN(c2ccccn2)CC1)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000766367775 1078921559 /nfs/dbraw/zinc/92/15/59/1078921559.db2.gz ZXNASBMMOHZBJZ-OAQYLSRUSA-N 0 3 422.529 2.328 20 0 HEADHN CC[NH+]1CCC(CC[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770688312 1078926462 /nfs/dbraw/zinc/92/64/62/1078926462.db2.gz JZYGGTSGJOASQI-UHFFFAOYSA-N 0 3 415.002 2.205 20 0 HEADHN COC(=O)C1(C)CCC(N2CCCn3c(=O)cc(CN4CCCC4)nc3C2)CC1 ZINC001168790529 1078987099 /nfs/dbraw/zinc/98/70/99/1078987099.db2.gz NAEOSXYYMCPZSK-UHFFFAOYSA-N 0 3 402.539 2.167 20 0 HEADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(-n2ccnn2)ccc1F ZINC001168791441 1078993079 /nfs/dbraw/zinc/99/30/79/1078993079.db2.gz KKDFEWLLQDJSKK-JOCHJYFZSA-N 0 3 409.465 2.115 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H]3CCCc4nc(C)ncc43)c2)CC1 ZINC000770747918 1079003581 /nfs/dbraw/zinc/00/35/81/1079003581.db2.gz VYOCTEMSCJMYAS-NRFANRHFSA-N 0 3 422.533 2.059 20 0 HEADHN Cn1ncc(NC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)c1C1CC1 ZINC000770783643 1079014122 /nfs/dbraw/zinc/01/41/22/1079014122.db2.gz YGYSRDHPQXVHKT-UHFFFAOYSA-N 0 3 413.547 2.466 20 0 HEADHN CSc1nc2ccc(NC(=O)C(=O)N[C@@H](C)CCN3CCN(C)CC3)cc2s1 ZINC000770803160 1079024955 /nfs/dbraw/zinc/02/49/55/1079024955.db2.gz TWPMKRFIYXRJRC-ZDUSSCGKSA-N 0 3 421.592 2.099 20 0 HEADHN C[C@H]1C[C@@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168868392 1079058574 /nfs/dbraw/zinc/05/85/74/1079058574.db2.gz SOCUYGVPAJQWTK-DZGCQCFKSA-N 0 3 403.527 2.382 20 0 HEADHN C[C@@H]1C[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849856 1079061238 /nfs/dbraw/zinc/06/12/38/1079061238.db2.gz LYZBATRBSCCINH-CABCVRRESA-N 0 3 401.511 2.111 20 0 HEADHN C[C@@H]1C[C@H](N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168850005 1079061820 /nfs/dbraw/zinc/06/18/20/1079061820.db2.gz MUEJTHWTZNGWMO-QTVCLEQKSA-N 0 3 407.555 2.486 20 0 HEADHN CCOC(=O)C1(N[C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CCN(CC)CC1 ZINC001168910132 1079073076 /nfs/dbraw/zinc/07/30/76/1079073076.db2.gz RGIMJQWFLGYGQM-IBGZPJMESA-N 0 3 417.550 2.193 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(CCc4ccncc4)CC3)CC2=O)cc1 ZINC001168943466 1079081809 /nfs/dbraw/zinc/08/18/09/1079081809.db2.gz VYQICKAPGZKQKO-JOCHJYFZSA-N 0 3 408.546 2.442 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(c4ccnc(OC)c4)CC3)CC2=O)cc1 ZINC001168954998 1079089850 /nfs/dbraw/zinc/08/98/50/1079089850.db2.gz PGOYRFNEPUHTTE-FQEVSTJZSA-N 0 3 410.518 2.412 20 0 HEADHN C[C@@H](N)c1nc2ccccc2n1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161482 1079170474 /nfs/dbraw/zinc/17/04/74/1079170474.db2.gz DDMZNENUIFRQDW-LSDHHAIUSA-N 0 3 423.521 2.235 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1c(F)cc(F)cc1F ZINC001169173061 1079188239 /nfs/dbraw/zinc/18/82/39/1079188239.db2.gz YIHKIBLEHDMZDK-GFCCVEGCSA-N 0 3 423.439 2.200 20 0 HEADHN C[C@H](N)c1ccn(-c2ccc(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)n1 ZINC001169231264 1079204220 /nfs/dbraw/zinc/20/42/20/1079204220.db2.gz GZCUEVRIXZMKBV-LBPRGKRZSA-N 0 3 403.483 2.449 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CC)C(C)C ZINC000771218521 1079232622 /nfs/dbraw/zinc/23/26/22/1079232622.db2.gz ZTUHRUJBFDRLRK-QGZVFWFLSA-N 0 3 402.539 2.486 20 0 HEADHN COc1ccccc1Oc1c(Cl)nc(-c2ncccn2)nc1-n1nncc1CN ZINC001169304582 1079230735 /nfs/dbraw/zinc/23/07/35/1079230735.db2.gz ZRARXJXLXYYMEH-UHFFFAOYSA-N 0 3 410.825 2.427 20 0 HEADHN CCOC(=O)Nc1c2nc(-n3nncc3CN)c(Cl)cc2oc1C(=O)OCC ZINC001169309013 1079231484 /nfs/dbraw/zinc/23/14/84/1079231484.db2.gz VTXKWCUROWCZMH-UHFFFAOYSA-N 0 3 408.802 2.266 20 0 HEADHN C[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000771306508 1079277041 /nfs/dbraw/zinc/27/70/41/1079277041.db2.gz AQGCITGUCSJOGG-QGZVFWFLSA-N 0 3 417.554 2.420 20 0 HEADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN1CCSC3(CCOCC3)C1)OC2=O ZINC001169464001 1079307131 /nfs/dbraw/zinc/30/71/31/1079307131.db2.gz XPSLOYJOPFTPAR-HNNXBMFYSA-N 0 3 412.552 2.137 20 0 HEADHN NC(=O)c1cc(Oc2cccc(OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)c2)ccn1 ZINC000766723921 1079313444 /nfs/dbraw/zinc/31/34/44/1079313444.db2.gz HFLHCOJKQDPHAZ-HIFRSBDPSA-N 0 3 423.347 2.335 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001169542418 1079327584 /nfs/dbraw/zinc/32/75/84/1079327584.db2.gz VNQUSLUUXVAAQJ-MNEFBYGVSA-N 0 3 401.507 2.500 20 0 HEADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169527863 1079324125 /nfs/dbraw/zinc/32/41/25/1079324125.db2.gz QZBHETYDXIAJCT-SOLBZPMBSA-N 0 3 421.588 2.442 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)COCCNC(=O)c1ccccc1 ZINC001169541050 1079326589 /nfs/dbraw/zinc/32/65/89/1079326589.db2.gz PDRLKMHSGKCSOC-KNQAVFIVSA-N 0 3 409.530 2.460 20 0 HEADHN CC(=O)N1CCC[C@@H](NCC(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccccc3c2)C1 ZINC001169595922 1079338216 /nfs/dbraw/zinc/33/82/16/1079338216.db2.gz AKNHQXMVWMLXFM-YADHBBJMSA-N 0 3 422.529 2.370 20 0 HEADHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000771437948 1079344005 /nfs/dbraw/zinc/34/40/05/1079344005.db2.gz RXSQAHCMRGDYNH-QRVBRYPASA-N 0 3 405.539 2.289 20 0 HEADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(CN(C)C)ccc2C)C1=O ZINC000771545817 1079363402 /nfs/dbraw/zinc/36/34/02/1079363402.db2.gz NHVUHDURFOIGOM-HSZRJFAPSA-N 0 3 424.501 2.471 20 0 HEADHN Cn1cc([C@H]2CC(=O)NC23CCN([C@@H]2CCCN(C(=O)c4ccccc4)C2)CC3)cn1 ZINC001169775164 1079396086 /nfs/dbraw/zinc/39/60/86/1079396086.db2.gz ZVIWDEHIMKJDOV-NHCUHLMSSA-N 0 3 421.545 2.163 20 0 HEADHN CCOc1ccccc1OCCNc1cccc(N2CCN(S(C)(=O)=O)CC2)n1 ZINC001169788871 1079420979 /nfs/dbraw/zinc/42/09/79/1079420979.db2.gz YVMYNUSTTYLTMP-UHFFFAOYSA-N 0 3 420.535 2.053 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000771655584 1079426671 /nfs/dbraw/zinc/42/66/71/1079426671.db2.gz BDGDIEHRRDQDQN-AWEZNQCLSA-N 0 3 422.986 2.029 20 0 HEADHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000771658318 1079427641 /nfs/dbraw/zinc/42/76/41/1079427641.db2.gz QZXBXVLVWDMSNI-KRWDZBQOSA-N 0 3 416.595 2.075 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000771662963 1079432823 /nfs/dbraw/zinc/43/28/23/1079432823.db2.gz HTZGXPWXWDEYRD-UHFFFAOYSA-N 0 3 419.570 2.252 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755527 1079484721 /nfs/dbraw/zinc/48/47/21/1079484721.db2.gz FOUARNOBRXPWEV-PKOBYXMFSA-N 0 3 404.555 2.252 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771757502 1079487301 /nfs/dbraw/zinc/48/73/01/1079487301.db2.gz UILVWKUQYUEFLH-RTBURBONSA-N 0 3 404.555 2.395 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000739084113 1076041459 /nfs/dbraw/zinc/04/14/59/1076041459.db2.gz YVGYGMSOSKLLNX-RXVVDRJESA-N 0 3 424.545 2.139 20 0 HEADHN CC[C@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1nccs1 ZINC000739119741 1076046353 /nfs/dbraw/zinc/04/63/53/1076046353.db2.gz SRCRWGOLEATHRA-KRWDZBQOSA-N 0 3 401.536 2.491 20 0 HEADHN COC(=O)N(C)Cc1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000739121664 1076047408 /nfs/dbraw/zinc/04/74/08/1076047408.db2.gz WRTKGQLQQUMLLU-UHFFFAOYSA-N 0 3 416.522 2.300 20 0 HEADHN CCn1c(=O)c2ccccc2n(CC(=O)N(CCN2CCCC2)c2ccccc2)c1=O ZINC000739648727 1076069250 /nfs/dbraw/zinc/06/92/50/1076069250.db2.gz GIFXIWNOFXABIH-UHFFFAOYSA-N 0 3 420.513 2.312 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCO[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000739921079 1076092903 /nfs/dbraw/zinc/09/29/03/1076092903.db2.gz MIZOOYPCQIRQIC-KRWDZBQOSA-N 0 3 400.445 2.030 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@H](O)c2ccsc2)[C@H](c2ccccc2)C1 ZINC000740033658 1076097251 /nfs/dbraw/zinc/09/72/51/1076097251.db2.gz MQKNVHZDCXSDIW-PMACEKPBSA-N 0 3 402.564 2.460 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OCCC(C)C ZINC000740493148 1076172273 /nfs/dbraw/zinc/17/22/73/1076172273.db2.gz ALORDZKIULQEDF-MOPGFXCFSA-N 0 3 403.523 2.338 20 0 HEADHN O=C(NC[C@H](O)c1ccsc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000740497336 1076175239 /nfs/dbraw/zinc/17/52/39/1076175239.db2.gz COAGXLUXFPUVBD-SFHVURJKSA-N 0 3 419.572 2.128 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCC[C@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000741056104 1076346816 /nfs/dbraw/zinc/34/68/16/1076346816.db2.gz CXWYNHPLRUYMDX-MJGOQNOKSA-N 0 3 408.568 2.306 20 0 HEADHN CC[C@H]1Oc2cc([C@H](C)NC(=O)NC3CCN(CCOC)CC3)ccc2NC1=O ZINC000466748646 1076349762 /nfs/dbraw/zinc/34/97/62/1076349762.db2.gz ANVPXSLBFQEACC-KBXCAEBGSA-N 0 3 404.511 2.267 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](CCO)c3ccccc3)cc2)CC1 ZINC000741104835 1076376228 /nfs/dbraw/zinc/37/62/28/1076376228.db2.gz LCWGKMZDOYCJGN-HXUWFJFHSA-N 0 3 424.545 2.049 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000741209390 1076404646 /nfs/dbraw/zinc/40/46/46/1076404646.db2.gz JIOFPOWBPUDGOC-VQTJNVASSA-N 0 3 414.527 2.254 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1cccc(N2CCOC2=O)c1 ZINC000741265864 1076436712 /nfs/dbraw/zinc/43/67/12/1076436712.db2.gz KPDAFRPXIOCTGR-QFIPXVFZSA-N 0 3 410.474 2.402 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CCO1 ZINC000741267044 1076436792 /nfs/dbraw/zinc/43/67/92/1076436792.db2.gz PYFWDPWEISWCIR-SJORKVTESA-N 0 3 409.552 2.495 20 0 HEADHN COc1cc(CN(C)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c(SC)cc1OC ZINC000741274350 1076440950 /nfs/dbraw/zinc/44/09/50/1076440950.db2.gz DZORSHHNFFTACV-JKSUJKDBSA-N 0 3 409.552 2.430 20 0 HEADHN CNC(=O)[C@@H](NC(=O)COC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000741330138 1076477833 /nfs/dbraw/zinc/47/78/33/1076477833.db2.gz NNOPEURFNSBIFF-QFIPXVFZSA-N 0 3 423.513 2.045 20 0 HEADHN O=C(NCc1cccc(N2CCOC2=O)c1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000741409989 1076513049 /nfs/dbraw/zinc/51/30/49/1076513049.db2.gz WPUMJNHQRNKIDG-QHCPKHFHSA-N 0 3 424.501 2.079 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000741393627 1076519899 /nfs/dbraw/zinc/51/98/99/1076519899.db2.gz RWCOPPPRMSILST-SFHVURJKSA-N 0 3 407.536 2.074 20 0 HEADHN CC(C)c1ccc(N2CC[C@H](C(=O)NCCCCN3CCN(C)CC3)C2=O)cc1 ZINC000741670039 1076575509 /nfs/dbraw/zinc/57/55/09/1076575509.db2.gz YKMGRXWZGIQKTR-OAQYLSRUSA-N 0 3 400.567 2.307 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000741693443 1076588480 /nfs/dbraw/zinc/58/84/80/1076588480.db2.gz QYXKANYPRCOAEK-GHTZIAJQSA-N 0 3 400.567 2.305 20 0 HEADHN CN(C[C@H]1CCCN(CCN2C(=O)NC3(CCCC3)C2=O)C1)C(=O)OC(C)(C)C ZINC000741777831 1076624261 /nfs/dbraw/zinc/62/42/61/1076624261.db2.gz LOBYCWKJOVRQCD-MRXNPFEDSA-N 0 3 408.543 2.430 20 0 HEADHN CN(C)S(=O)(=O)c1ccc2oc(=S)n(CN3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000742163575 1076760442 /nfs/dbraw/zinc/76/04/42/1076760442.db2.gz UQMGJLUXROWDMI-CQSZACIVSA-N 0 3 408.549 2.118 20 0 HEADHN S=c1n(CN2CC[C@@H](N3CC=CC3)C2)nc(N2CCOCC2)n1-c1ccccc1 ZINC000742163085 1076773317 /nfs/dbraw/zinc/77/33/17/1076773317.db2.gz PEYFRSKVQCQMCE-LJQANCHMSA-N 0 3 412.563 2.143 20 0 HEADHN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCN3CCC[C@@H]3C)cc(C(C)C)nc21 ZINC000742240555 1076804132 /nfs/dbraw/zinc/80/41/32/1076804132.db2.gz RFIUCWRIKYUXQO-HNNXBMFYSA-N 0 3 415.538 2.491 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)NCCCN2CCCC2)C1 ZINC000742272234 1076807588 /nfs/dbraw/zinc/80/75/88/1076807588.db2.gz VJZIZAZOFYVHLE-IBGZPJMESA-N 0 3 409.552 2.193 20 0 HEADHN COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@H]1CCN(C2CC2)C1 ZINC000742275309 1076808313 /nfs/dbraw/zinc/80/83/13/1076808313.db2.gz NLDPYDUERMCXRS-SNVBAGLBSA-N 0 3 407.305 2.359 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)CNC(=O)OCc2ccccc2)CC1 ZINC000742303487 1076812745 /nfs/dbraw/zinc/81/27/45/1076812745.db2.gz MGAFMVRBUCNOMU-UHFFFAOYSA-N 0 3 424.545 2.367 20 0 HEADHN COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000742304864 1076812962 /nfs/dbraw/zinc/81/29/62/1076812962.db2.gz IKPIQRSHYORVPT-FZMZJTMJSA-N 0 3 419.341 2.196 20 0 HEADHN C[C@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000742304381 1076813039 /nfs/dbraw/zinc/81/30/39/1076813039.db2.gz FPVYDQCJTAXERA-FXAWDEMLSA-N 0 3 423.579 2.389 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000742290311 1076818773 /nfs/dbraw/zinc/81/87/73/1076818773.db2.gz UERVAMWSDKAFCF-UXHICEINSA-N 0 3 421.563 2.288 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)N(C)C)cc1 ZINC000742396953 1076834233 /nfs/dbraw/zinc/83/42/33/1076834233.db2.gz JEAIFHBDWMKRFC-YKSBVNFPSA-N 0 3 422.529 2.490 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000742599145 1076854814 /nfs/dbraw/zinc/85/48/14/1076854814.db2.gz SHXMHDFIWOEHIX-OTWHNJEPSA-N 0 3 403.523 2.274 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)cc2)CC1 ZINC000743079586 1076945231 /nfs/dbraw/zinc/94/52/31/1076945231.db2.gz QWRRBNKSLSRZPR-IBGZPJMESA-N 0 3 411.554 2.353 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743208731 1077000682 /nfs/dbraw/zinc/00/06/82/1077000682.db2.gz NNQLEDBYGBVCMI-KRWDZBQOSA-N 0 3 419.551 2.056 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NCCC3N=NC(=S)N3C(C)C)cc2)CC1 ZINC000743336558 1077030010 /nfs/dbraw/zinc/03/00/10/1077030010.db2.gz IZWBUOVVTIXRAI-UHFFFAOYSA-N 0 3 402.568 2.262 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)cc2)CC1 ZINC000743403950 1077043870 /nfs/dbraw/zinc/04/38/70/1077043870.db2.gz YJWFIIQSUSMLRO-QGZVFWFLSA-N 0 3 412.456 2.064 20 0 HEADHN C[C@@](O)(CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000743553709 1077068007 /nfs/dbraw/zinc/06/80/07/1077068007.db2.gz QHRCHKROYMLCBG-HSZRJFAPSA-N 0 3 414.550 2.384 20 0 HEADHN C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)Oc1ccc(Br)cc1 ZINC000743593459 1077077376 /nfs/dbraw/zinc/07/73/76/1077077376.db2.gz DDHHEBITGPLMTL-UKPHBRMFSA-N 0 3 412.328 2.379 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000743764715 1077117468 /nfs/dbraw/zinc/11/74/68/1077117468.db2.gz DTUGHGZUFTXUNR-FQEVSTJZSA-N 0 3 400.479 2.358 20 0 HEADHN Cc1ccc(C)n1-c1c(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cnn1C ZINC000743766164 1077119946 /nfs/dbraw/zinc/11/99/46/1077119946.db2.gz SMZRKOBIIKAMSK-HSZRJFAPSA-N 0 3 407.518 2.194 20 0 HEADHN COC(=O)[C@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC000743845504 1077148743 /nfs/dbraw/zinc/14/87/43/1077148743.db2.gz DYTUYACEKSEWJZ-FHWLQOOXSA-N 0 3 406.523 2.368 20 0 HEADHN CCCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000743845576 1077148877 /nfs/dbraw/zinc/14/88/77/1077148877.db2.gz UCVYHVIORFBUGM-HXUWFJFHSA-N 0 3 418.557 2.098 20 0 HEADHN COC(=O)CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCOCC1 ZINC000743871813 1077156452 /nfs/dbraw/zinc/15/64/52/1077156452.db2.gz UQQIGYVFRKWWOT-UHFFFAOYSA-N 0 3 423.941 2.033 20 0 HEADHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743897483 1077208903 /nfs/dbraw/zinc/20/89/03/1077208903.db2.gz SAOCKNYATODSAW-GJZGRUSLSA-N 0 3 402.495 2.127 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000743979463 1077292818 /nfs/dbraw/zinc/29/28/18/1077292818.db2.gz BPTCINABIZGAGP-OAHLLOKOSA-N 0 3 416.909 2.089 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000743980181 1077293560 /nfs/dbraw/zinc/29/35/60/1077293560.db2.gz WSOZNKNXXRTFFP-OAHLLOKOSA-N 0 3 413.478 2.140 20 0 HEADHN CN(CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C1CCC1 ZINC000744410254 1077383670 /nfs/dbraw/zinc/38/36/70/1077383670.db2.gz XSYWLDSWXGDCCI-UHFFFAOYSA-N 0 3 420.362 2.311 20 0 HEADHN C[C@@H]1CC[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000744429192 1077390890 /nfs/dbraw/zinc/39/08/90/1077390890.db2.gz RVIGJTFUROKRJZ-HKHIJJCUSA-N 0 3 405.564 2.252 20 0 HEADHN CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001545681330 1077711548 /nfs/dbraw/zinc/71/15/48/1077711548.db2.gz RVCWFTWHJTUUKV-LUKYLMHMSA-N 0 3 415.604 2.118 20 0 HEADHN C[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 ZINC000745170779 1077766731 /nfs/dbraw/zinc/76/67/31/1077766731.db2.gz QTBWIISHTFPHSW-YHZJOHHESA-N 0 3 402.520 2.356 20 0 HEADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CSc1nncn1C ZINC000771787415 1079506301 /nfs/dbraw/zinc/50/63/01/1079506301.db2.gz UEASATRQHFALHK-KRWDZBQOSA-N 0 3 411.535 2.498 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@@H]1C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000771762542 1079515560 /nfs/dbraw/zinc/51/55/60/1079515560.db2.gz MKVJBVMBFPVEDW-YTFSRNRJSA-N 0 3 411.546 2.230 20 0 HEADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000766959314 1079522690 /nfs/dbraw/zinc/52/26/90/1079522690.db2.gz FCFAXZRMWFMNNR-COPCDDAFSA-N 0 3 411.550 2.045 20 0 HEADHN C[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C[C@@H]1C ZINC000766989162 1079550137 /nfs/dbraw/zinc/55/01/37/1079550137.db2.gz ROWGKTPPUCNJJZ-NFMLXDHJSA-N 0 3 402.520 2.212 20 0 HEADHN C[C@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766973443 1079569353 /nfs/dbraw/zinc/56/93/53/1079569353.db2.gz IWUXVBUCYYCGFQ-DYVFJYSZSA-N 0 3 412.458 2.376 20 0 HEADHN C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766973440 1079569481 /nfs/dbraw/zinc/56/94/81/1079569481.db2.gz IWUXVBUCYYCGFQ-CXAGYDPISA-N 0 3 412.458 2.376 20 0 HEADHN O=C1c2ccccc2/C(=C\NC[C@@H]2CN3CCN2CC3)C(=O)N1c1ccccc1Cl ZINC000746521367 1079684441 /nfs/dbraw/zinc/68/44/41/1079684441.db2.gz HZFQEBVZXBNWTG-NISQSXRWSA-N 0 3 422.916 2.457 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000767165072 1079702491 /nfs/dbraw/zinc/70/24/91/1079702491.db2.gz SYGDRSJDIVSUFE-HKUYNNGSSA-N 0 3 422.595 2.434 20 0 HEADHN CC1(C)OCC(C)(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CO1 ZINC000767174643 1079708900 /nfs/dbraw/zinc/70/89/00/1079708900.db2.gz YAYDIOZEEWIBGG-UHFFFAOYSA-N 0 3 403.567 2.490 20 0 HEADHN COC1(C)CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170040374 1079773653 /nfs/dbraw/zinc/77/36/53/1079773653.db2.gz ZYOVPZAORBHRQW-CVEARBPZSA-N 0 3 413.584 2.398 20 0 HEADHN COC(=O)/C=C\c1ccc(OCCN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000767337674 1079810756 /nfs/dbraw/zinc/81/07/56/1079810756.db2.gz NIHRDZVQOLZNSG-QIENPNARSA-N 0 3 404.488 2.250 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000772411776 1079848298 /nfs/dbraw/zinc/84/82/98/1079848298.db2.gz ZAUZYSSVXRAKFJ-SQNIBIBYSA-N 0 3 411.591 2.100 20 0 HEADHN CCc1nn(C)c(Cl)c1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000767457137 1079883107 /nfs/dbraw/zinc/88/31/07/1079883107.db2.gz HFRUXCZVLSOUEB-UHFFFAOYSA-N 0 3 417.941 2.392 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CC[C@]3(CCCO3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170044487 1079916643 /nfs/dbraw/zinc/91/66/43/1079916643.db2.gz PZXRSTQSRIAHEU-TWOQFEAHSA-N 0 3 411.568 2.152 20 0 HEADHN CC1(C)CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000785512792 1080028649 /nfs/dbraw/zinc/02/86/49/1080028649.db2.gz GFLDNINDYIMSDE-HSZRJFAPSA-N 0 3 414.550 2.420 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](Cc2c(F)cccc2F)C(C)=O)CC1=O ZINC000785650138 1080098218 /nfs/dbraw/zinc/09/82/18/1080098218.db2.gz QEGLBPSTFGAUGY-JXXFODFXSA-N 0 3 422.472 2.341 20 0 HEADHN NS(=O)(=O)c1ccc(OCCOC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000785723935 1080200633 /nfs/dbraw/zinc/20/06/33/1080200633.db2.gz WBLPLHMVRIVTRP-UHFFFAOYSA-N 0 3 404.488 2.166 20 0 HEADHN CCN1CCN(CCNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000767920503 1080215692 /nfs/dbraw/zinc/21/56/92/1080215692.db2.gz CXFKYTCGOOIXMT-JOCHJYFZSA-N 0 3 404.555 2.180 20 0 HEADHN CS(=O)(=O)c1cccc(NC(=O)COC(=O)c2cccc(CN3CCCC3)c2)c1 ZINC000785708346 1080215723 /nfs/dbraw/zinc/21/57/23/1080215723.db2.gz FOCVUBSDFQVFBJ-UHFFFAOYSA-N 0 3 416.499 2.481 20 0 HEADHN O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785713396 1080221522 /nfs/dbraw/zinc/22/15/22/1080221522.db2.gz LUSXGWHLYPDMDN-UHFFFAOYSA-N 0 3 408.454 2.301 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000767962522 1080253528 /nfs/dbraw/zinc/25/35/28/1080253528.db2.gz IRUGHELHCFJUTG-SFHVURJKSA-N 0 3 406.527 2.289 20 0 HEADHN Cc1ccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000768020937 1080288478 /nfs/dbraw/zinc/28/84/78/1080288478.db2.gz OHPVVSWSBUFSID-JOCHJYFZSA-N 0 3 424.545 2.314 20 0 HEADHN CC(C)O[C@H]1CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170052422 1080295686 /nfs/dbraw/zinc/29/56/86/1080295686.db2.gz SJRLLZZRXXMSIA-ULQDDVLXSA-N 0 3 413.584 2.397 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)c2)CC1 ZINC000768087560 1080320821 /nfs/dbraw/zinc/32/08/21/1080320821.db2.gz UBZBHBCYQIQJEC-JOCHJYFZSA-N 0 3 424.545 2.395 20 0 HEADHN C[C@H](NCc1ccc(-n2cncn2)nc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203092 1080394343 /nfs/dbraw/zinc/39/43/43/1080394343.db2.gz YWEAVCQFEHHIQH-PXNSSMCTSA-N 0 3 422.489 2.178 20 0 HEADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@H]1CCCC2(C1)OCCO2 ZINC000768209657 1080397995 /nfs/dbraw/zinc/39/79/95/1080397995.db2.gz SJSMFRHESTWBNR-NRFANRHFSA-N 0 3 416.566 2.179 20 0 HEADHN O=C(C1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1)N1CCOCC1 ZINC000768193162 1080408744 /nfs/dbraw/zinc/40/87/44/1080408744.db2.gz CMSMPGSXNPPWRL-UHFFFAOYSA-N 0 3 424.545 2.142 20 0 HEADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(-n2cnc3ccccc32)nc1 ZINC000768387090 1080536485 /nfs/dbraw/zinc/53/64/85/1080536485.db2.gz CSJQRKYIUIEBMK-FQEVSTJZSA-N 0 3 420.517 2.093 20 0 HEADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)CC1 ZINC000786305624 1080547084 /nfs/dbraw/zinc/54/70/84/1080547084.db2.gz GWOOMFQNCSVPEQ-UHFFFAOYSA-N 0 3 402.417 2.045 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000786344373 1080553044 /nfs/dbraw/zinc/55/30/44/1080553044.db2.gz OFDLSGXYDBSGIK-CYBMUJFWSA-N 0 3 411.344 2.050 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000786325774 1080562831 /nfs/dbraw/zinc/56/28/31/1080562831.db2.gz FVCHZYUWGCXULE-IAGOWNOFSA-N 0 3 421.925 2.437 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)N1CCCCC1 ZINC000786410081 1080589459 /nfs/dbraw/zinc/58/94/59/1080589459.db2.gz PWDRAUYXHYFSKL-KRWDZBQOSA-N 0 3 424.586 2.321 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CC34CCOCC4)cc2)CC1 ZINC000786438263 1080601803 /nfs/dbraw/zinc/60/18/03/1080601803.db2.gz GZONFDIFRWDXLR-LJQANCHMSA-N 0 3 401.507 2.127 20 0 HEADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1 ZINC000786584941 1080673736 /nfs/dbraw/zinc/67/37/36/1080673736.db2.gz WYDQOKXZXKYCTG-OAHLLOKOSA-N 0 3 423.562 2.179 20 0 HEADHN COc1ncc(Br)cc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000768824782 1080813688 /nfs/dbraw/zinc/81/36/88/1080813688.db2.gz HYVVMJALTPGCTF-ZJUUUORDSA-N 0 3 411.174 2.353 20 0 HEADHN C[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786795133 1080825775 /nfs/dbraw/zinc/82/57/75/1080825775.db2.gz YTNAHLSBNSYUMN-SFHVURJKSA-N 0 3 421.545 2.455 20 0 HEADHN CS(=O)(=O)c1cccc(OCCOC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786813269 1080839990 /nfs/dbraw/zinc/83/99/90/1080839990.db2.gz IYIBCCZNMSZPIA-UHFFFAOYSA-N 0 3 403.500 2.461 20 0 HEADHN Cc1nn(C)c(N2CCOCC2)c1CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768863153 1080843506 /nfs/dbraw/zinc/84/35/06/1080843506.db2.gz JMTSAKHGRWLFJZ-UHFFFAOYSA-N 0 3 407.559 2.396 20 0 HEADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1 ZINC000768907314 1080848249 /nfs/dbraw/zinc/84/82/49/1080848249.db2.gz AOZXSXNCMQDIKS-UHFFFAOYSA-N 0 3 423.510 2.034 20 0 HEADHN Cc1ccc(Br)nc1C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C ZINC000786866998 1080861121 /nfs/dbraw/zinc/86/11/21/1080861121.db2.gz YHQWRHTZFJBVBW-UHFFFAOYSA-N 0 3 400.317 2.498 20 0 HEADHN CCN1CCN([C@@H](C)CNS(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000786869689 1080862773 /nfs/dbraw/zinc/86/27/73/1080862773.db2.gz ZBVVVPZVAVJYFS-XCHKQJEOSA-N 0 3 416.385 2.365 20 0 HEADHN O=C(Nc1ccc(-n2nccn2)cc1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000768967533 1080868826 /nfs/dbraw/zinc/86/88/26/1080868826.db2.gz NFHKZBUEPAOQFV-RXVVDRJESA-N 0 3 406.490 2.272 20 0 HEADHN O=C(Nc1ccc(-n2nccn2)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000768967529 1080868854 /nfs/dbraw/zinc/86/88/54/1080868854.db2.gz NFHKZBUEPAOQFV-GHTZIAJQSA-N 0 3 406.490 2.272 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000769098296 1080908503 /nfs/dbraw/zinc/90/85/03/1080908503.db2.gz KVKJKUJUKWAJPN-HYVNUMGLSA-N 0 3 415.456 2.019 20 0 HEADHN CN(C)c1ccc(NC(=O)c2ccc(CN3CCC(CO)CC3)cc2)c(C(N)=O)c1 ZINC000769167264 1080985087 /nfs/dbraw/zinc/98/50/87/1080985087.db2.gz AFYKIUJLRIMBQF-UHFFFAOYSA-N 0 3 410.518 2.308 20 0 HEADHN CCCCCCNC(=O)[C@H]1CCCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000769202543 1081000862 /nfs/dbraw/zinc/00/08/62/1081000862.db2.gz WDIPPDCNJYHICJ-IBGZPJMESA-N 0 3 405.587 2.474 20 0 HEADHN CN(CCN1CCN(Cc2cc(Br)nn2C)CC1)Cc1ccccc1 ZINC000787149775 1081030192 /nfs/dbraw/zinc/03/01/92/1081030192.db2.gz MFADAGNZEIHIEY-UHFFFAOYSA-N 0 3 406.372 2.432 20 0 HEADHN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCCN(C)Cc2ccccc2)cc1 ZINC000769373465 1081056111 /nfs/dbraw/zinc/05/61/11/1081056111.db2.gz WOZQJKSIJNDRNI-UHFFFAOYSA-N 0 3 419.472 2.494 20 0 HEADHN CC(C)[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000787243835 1081067347 /nfs/dbraw/zinc/06/73/47/1081067347.db2.gz RABSXYRQIKCUTC-WMZOPIPTSA-N 0 3 412.575 2.430 20 0 HEADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC([C@H](O)c2nccn2C)CC1 ZINC000769436739 1081074054 /nfs/dbraw/zinc/07/40/54/1081074054.db2.gz XKDFEABGTSBVSV-FQEVSTJZSA-N 0 3 403.527 2.131 20 0 HEADHN CC[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769483132 1081078909 /nfs/dbraw/zinc/07/89/09/1081078909.db2.gz GNHQRRGZVSGSEZ-OALUTQOASA-N 0 3 418.586 2.354 20 0 HEADHN CC[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483134 1081079057 /nfs/dbraw/zinc/07/90/57/1081079057.db2.gz GNHQRRGZVSGSEZ-RBUKOAKNSA-N 0 3 418.586 2.354 20 0 HEADHN COc1cc(CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)ccc1OC(C)C ZINC000787234381 1081082501 /nfs/dbraw/zinc/08/25/01/1081082501.db2.gz NEVOYCPVDQUDPP-SFHVURJKSA-N 0 3 403.523 2.185 20 0 HEADHN CCOc1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCCCC2)ccc1OC(F)F ZINC000787298393 1081098230 /nfs/dbraw/zinc/09/82/30/1081098230.db2.gz KRDLTQOIJYNFLY-CQSZACIVSA-N 0 3 413.465 2.294 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787268231 1081101812 /nfs/dbraw/zinc/10/18/12/1081101812.db2.gz WLXDFUGGGMMJCW-WIYYLYMNSA-N 0 3 414.550 2.385 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787268230 1081101985 /nfs/dbraw/zinc/10/19/85/1081101985.db2.gz WLXDFUGGGMMJCW-RXVVDRJESA-N 0 3 414.550 2.385 20 0 HEADHN CCN(CCO)CCNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000769636042 1081154384 /nfs/dbraw/zinc/15/43/84/1081154384.db2.gz SXVRIIIFCSDPPA-BLRBJFNZSA-N 0 3 407.942 2.165 20 0 HEADHN NS(=O)(=O)c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164629156 719072922 /nfs/dbraw/zinc/07/29/22/719072922.db2.gz WCQFBDYWRBTXRN-YJBOKZPZSA-N 0 3 406.939 2.483 20 0 HEADHN CCOC(=O)c1cc2ncnc(N3CCC4(CCCN4CC(=O)NC)CC3)c2s1 ZINC001164687519 719731553 /nfs/dbraw/zinc/73/15/53/719731553.db2.gz YSBIWLRSVXCGHE-UHFFFAOYSA-N 0 3 417.535 2.049 20 0 HEADHN CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164731566 720483774 /nfs/dbraw/zinc/48/37/74/720483774.db2.gz WMQFSHMABDTDIQ-DUXKGJEZSA-N 0 3 407.518 2.393 20 0 HEADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164738245 720610355 /nfs/dbraw/zinc/61/03/55/720610355.db2.gz BDBYEAVOUUDPKY-WDEREUQCSA-N 0 3 406.277 2.397 20 0 HEADHN COCc1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164740890 720624203 /nfs/dbraw/zinc/62/42/03/720624203.db2.gz JPBHZYPKAOTGTH-WOJBJXKFSA-N 0 3 418.501 2.422 20 0 HEADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741393 720714627 /nfs/dbraw/zinc/71/46/27/720714627.db2.gz SXAKCBBYLFQFNK-MSOLQXFVSA-N 0 3 414.941 2.463 20 0 HEADHN COc1ccccc1-c1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164742933 720771115 /nfs/dbraw/zinc/77/11/15/720771115.db2.gz POOYKEYSOCAINH-SJORKVTESA-N 0 3 404.474 2.284 20 0 HEADHN c1cc(-c2nc3c(c(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)n2)CCC3)ccn1 ZINC001164743529 720790274 /nfs/dbraw/zinc/79/02/74/720790274.db2.gz GMTXKSZVTYSYPD-ZWKOTPCHSA-N 0 3 415.501 2.159 20 0 HEADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)s1 ZINC001164746044 720795337 /nfs/dbraw/zinc/79/53/37/720795337.db2.gz LLKRKGUVFVLIEI-JKSUJKDBSA-N 0 3 409.519 2.349 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@@H]3OCC[C@H]32)c1 ZINC001164763571 721016478 /nfs/dbraw/zinc/01/64/78/721016478.db2.gz YEQGLEOFJXOPRK-NRSPTQNISA-N 0 3 409.534 2.181 20 0 HEADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870944 721044905 /nfs/dbraw/zinc/04/49/05/721044905.db2.gz XNFZDGMEQDOYEN-JKSUJKDBSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1c(Cl)ccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868639 721052854 /nfs/dbraw/zinc/05/28/54/721052854.db2.gz OXOXYWHHRFEGSD-JKSUJKDBSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc21 ZINC001164865900 721070032 /nfs/dbraw/zinc/07/00/32/721070032.db2.gz BLZZGUBBSQKHOW-QZTJIDSGSA-N 0 3 419.485 2.291 20 0 HEADHN CNC(=O)[C@]12CN(C(C)(C)c3ccnc(Cl)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164869621 721209093 /nfs/dbraw/zinc/20/90/93/721209093.db2.gz QZUVJFBHTGZVMR-IIBYNOLFSA-N 0 3 414.941 2.477 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164766644 721258260 /nfs/dbraw/zinc/25/82/60/721258260.db2.gz VCYDBFSEMZMNQK-HMXCVIKNSA-N 0 3 410.518 2.286 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887137 721406683 /nfs/dbraw/zinc/40/66/83/721406683.db2.gz LDMHXCGPYIAFCF-FOIQADDNSA-N 0 3 404.946 2.377 20 0 HEADHN COC(OC)c1cc(C)cnc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164898766 721426877 /nfs/dbraw/zinc/42/68/77/721426877.db2.gz WWUGFEJUJUJTMI-XXBNENTESA-N 0 3 418.582 2.447 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)c1 ZINC001164896967 721479167 /nfs/dbraw/zinc/47/91/67/721479167.db2.gz YTEQIALCTCZXKS-NLWGTHIKSA-N 0 3 404.530 2.193 20 0 HEADHN O=C([C@@H]1CCO[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]12)N1CCCO1 ZINC001164793283 721482982 /nfs/dbraw/zinc/48/29/82/721482982.db2.gz UDJPMBGARMIYSX-AABGKKOBSA-N 0 3 400.523 2.073 20 0 HEADHN CCOC(=O)c1cc(C)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164896263 721523571 /nfs/dbraw/zinc/52/35/71/721523571.db2.gz AEKVAHYMMYAYCH-WMZOPIPTSA-N 0 3 400.454 2.443 20 0 HEADHN CCOC(=O)c1cnc(OC)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903995 721530695 /nfs/dbraw/zinc/53/06/95/721530695.db2.gz DTQAQYGDNUNRLN-NVXWUHKLSA-N 0 3 416.453 2.143 20 0 HEADHN CCOC(=O)Cc1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906950 721539230 /nfs/dbraw/zinc/53/92/30/721539230.db2.gz MAPYLXZOFLHAMD-IEBWSBKVSA-N 0 3 400.454 2.063 20 0 HEADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902988 721546761 /nfs/dbraw/zinc/54/67/61/721546761.db2.gz BPYCCLMQDJMBGK-MJGOQNOKSA-N 0 3 417.481 2.346 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903096 721560019 /nfs/dbraw/zinc/56/00/19/721560019.db2.gz AJZXYKLIVWUQEL-DZGCQCFKSA-N 0 3 406.845 2.398 20 0 HEADHN CCOC(=O)c1cc2ccc(N3CCCC34CCN(CC(=O)N(C)C)CC4)nc2[nH]1 ZINC001165011505 721741242 /nfs/dbraw/zinc/74/12/42/721741242.db2.gz YEYKYSVKOYNEEB-UHFFFAOYSA-N 0 3 413.522 2.263 20 0 HEADHN Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc3[n-]cnc3c(Cl)n2)CC1 ZINC001164919080 721819390 /nfs/dbraw/zinc/81/93/90/721819390.db2.gz ZRSDOPSRUQWCHD-UHFFFAOYSA-N 0 3 422.871 2.449 20 0 HEADHN Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc3[n-]cnc3c(Cl)n2)CC1 ZINC001164919080 721819394 /nfs/dbraw/zinc/81/93/94/721819394.db2.gz ZRSDOPSRUQWCHD-UHFFFAOYSA-N 0 3 422.871 2.449 20 0 HEADHN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001164944398 721953924 /nfs/dbraw/zinc/95/39/24/721953924.db2.gz JXMMXUCOTQFGNQ-RBUKOAKNSA-N 0 3 403.914 2.075 20 0 HEADHN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]21 ZINC001164968753 722081165 /nfs/dbraw/zinc/08/11/65/722081165.db2.gz DWFKFXGJSZMYTO-BVSLBCMMSA-N 0 3 408.550 2.388 20 0 HEADHN COc1cnc(SC)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984360 722102744 /nfs/dbraw/zinc/10/27/44/722102744.db2.gz SUFITKBBKVFUSS-FUHWJXTLSA-N 0 3 401.536 2.329 20 0 HEADHN COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971393 722118542 /nfs/dbraw/zinc/11/85/42/722118542.db2.gz BVNMDLISAXCDSQ-YLJYHZDGSA-N 0 3 414.481 2.438 20 0 HEADHN COC(=O)c1cc(F)c(C)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971390 722118692 /nfs/dbraw/zinc/11/86/92/722118692.db2.gz BVNMDLISAXCDSQ-FXAWDEMLSA-N 0 3 414.481 2.438 20 0 HEADHN CC(C)c1nc(N(C)C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979777 722126540 /nfs/dbraw/zinc/12/65/40/722126540.db2.gz PXLVEPZRPGRORV-OALUTQOASA-N 0 3 411.554 2.183 20 0 HEADHN Cc1nc(CN2CCO[C@H]3CCN(c4cc(N(C)C)nc(C)n4)CC[C@H]32)cs1 ZINC001164991606 722175946 /nfs/dbraw/zinc/17/59/46/722175946.db2.gz YLHKJKCSONQZPT-MSOLQXFVSA-N 0 3 402.568 2.486 20 0 HEADHN COc1ccccc1COC1CCN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000769713123 1078532239 /nfs/dbraw/zinc/53/22/39/1078532239.db2.gz VRWAKLRKCMUWAZ-ICSRJNTNSA-N 0 3 403.523 2.249 20 0 HEADHN COc1ccccc1COC1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000769713131 1078532350 /nfs/dbraw/zinc/53/23/50/1078532350.db2.gz VRWAKLRKCMUWAZ-UYAOXDASSA-N 0 3 403.523 2.249 20 0 HEADHN CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000769735039 1078553271 /nfs/dbraw/zinc/55/32/71/1078553271.db2.gz FZCZDZZPXBLZOV-MJGOQNOKSA-N 0 3 404.511 2.362 20 0 HEADHN C[C@H](NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919581 1078634961 /nfs/dbraw/zinc/63/49/61/1078634961.db2.gz ACSNJHSZHSJZBZ-FUHWJXTLSA-N 0 3 424.586 2.177 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000745792100 1078649470 /nfs/dbraw/zinc/64/94/70/1078649470.db2.gz ASOLXWVLMMYFAS-GOSISDBHSA-N 0 3 412.575 2.386 20 0 HEADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCOCc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001109544669 1078642249 /nfs/dbraw/zinc/64/22/49/1078642249.db2.gz HFZYEPZOTXFKNO-WKOLOUIMSA-N 0 3 414.546 2.366 20 0 HEADHN CCOC(=O)CN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C(C)(C)C ZINC000769943283 1078647202 /nfs/dbraw/zinc/64/72/02/1078647202.db2.gz NFCDWLLISNOPQW-UHFFFAOYSA-N 0 3 404.555 2.431 20 0 HEADHN C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769947102 1078648572 /nfs/dbraw/zinc/64/85/72/1078648572.db2.gz SGSQYSXYOHOXHD-FUHWJXTLSA-N 0 3 424.586 2.068 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796586 1078651205 /nfs/dbraw/zinc/65/12/05/1078651205.db2.gz CBRNVWYWQLMKBM-QZTJIDSGSA-N 0 3 412.575 2.386 20 0 HEADHN C[C@@H](CNC(=O)NCCc1ccc(Br)cc1F)CN1CCN(C)CC1 ZINC000745810718 1078656885 /nfs/dbraw/zinc/65/68/85/1078656885.db2.gz NDPAMSXTCLUGAK-AWEZNQCLSA-N 0 3 415.351 2.313 20 0 HEADHN CN(CCC1CCN(CCn2nc3ccccn3c2=O)CC1)C(=O)OC(C)(C)C ZINC000769942113 1078666408 /nfs/dbraw/zinc/66/64/08/1078666408.db2.gz HAGSVKZTBZUYCD-UHFFFAOYSA-N 0 3 403.527 2.465 20 0 HEADHN CCc1ccc(N2CCN(C(=O)NC[C@@H](C)CN3CCN(CC)CC3)CC2)cc1 ZINC000745863851 1078667371 /nfs/dbraw/zinc/66/73/71/1078667371.db2.gz YLCVSLVMQTVPKX-HXUWFJFHSA-N 0 3 401.599 2.354 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861214 1078676515 /nfs/dbraw/zinc/67/65/15/1078676515.db2.gz ANABWEVVXNSVPV-MAUKXSAKSA-N 0 3 416.488 2.312 20 0 HEADHN C[C@@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)CN1CCN(C)CC1 ZINC000745861703 1078676955 /nfs/dbraw/zinc/67/69/55/1078676955.db2.gz DQMNDYIXRLHYBJ-SUMWQHHRSA-N 0 3 403.354 2.210 20 0 HEADHN Cc1cnccc1CN[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013128 1078736027 /nfs/dbraw/zinc/73/60/27/1078736027.db2.gz CKZCDFGXZOYKRP-SJORKVTESA-N 0 3 406.552 2.391 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C)N1CCCCC1 ZINC000746037539 1078738900 /nfs/dbraw/zinc/73/89/00/1078738900.db2.gz HGSBJSJITBULDH-MRXNPFEDSA-N 0 3 403.523 2.500 20 0 HEADHN CCOC(=O)C1C(CNC(C)(C)CC(=O)OC)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000770191047 1078753479 /nfs/dbraw/zinc/75/34/79/1078753479.db2.gz KWTALCQFDHSQSM-QGZVFWFLSA-N 0 3 423.897 2.442 20 0 HEADHN Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)CCC2=O)cc1C ZINC000770171497 1078767374 /nfs/dbraw/zinc/76/73/74/1078767374.db2.gz BIYRFONXHSZMLO-UXHICEINSA-N 0 3 400.567 2.189 20 0 HEADHN CCCc1ccc(N2C[C@@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2=O)cc1 ZINC000770174107 1078769881 /nfs/dbraw/zinc/76/98/81/1078769881.db2.gz RYEISCSNTBURSJ-ICSRJNTNSA-N 0 3 400.567 2.134 20 0 HEADHN CCN1CCN(CCC(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)CC1 ZINC000746100504 1078785894 /nfs/dbraw/zinc/78/58/94/1078785894.db2.gz SFZDCHZACSHNIV-UHFFFAOYSA-N 0 3 420.426 2.058 20 0 HEADHN C[C@H]1CCCCN1CCCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746099557 1078793586 /nfs/dbraw/zinc/79/35/86/1078793586.db2.gz XGUZZPFEHNUCOF-AWEZNQCLSA-N 0 3 424.498 2.177 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000770290811 1078817124 /nfs/dbraw/zinc/81/71/24/1078817124.db2.gz BGSDFDNDAFNEFP-AWEZNQCLSA-N 0 3 411.522 2.493 20 0 HEADHN Cc1nn(C)c(C)c1CN[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013805 1078822821 /nfs/dbraw/zinc/82/28/21/1078822821.db2.gz KFEYFEHKLVSQQM-WBVHZDCISA-N 0 3 423.583 2.037 20 0 HEADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746219041 1078824495 /nfs/dbraw/zinc/82/44/95/1078824495.db2.gz IISFQTTYHKPLCN-MOPGFXCFSA-N 0 3 405.539 2.071 20 0 HEADHN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220646 1078824946 /nfs/dbraw/zinc/82/49/46/1078824946.db2.gz XVVSXTAEKUCKHR-UXHICEINSA-N 0 3 417.550 2.311 20 0 HEADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000770345510 1078837498 /nfs/dbraw/zinc/83/74/98/1078837498.db2.gz NZDVXXASGJFFOU-QZTJIDSGSA-N 0 3 421.611 2.237 20 0 HEADHN CN(C)CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000746278646 1078842403 /nfs/dbraw/zinc/84/24/03/1078842403.db2.gz NJGSZAXGVQIFEU-QFIPXVFZSA-N 0 3 412.465 2.188 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280243 1078843499 /nfs/dbraw/zinc/84/34/99/1078843499.db2.gz NWDNMURDCLQKCF-FXAWDEMLSA-N 0 3 407.942 2.022 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000746366009 1078877165 /nfs/dbraw/zinc/87/71/65/1078877165.db2.gz WWNQIRNZXXJLGJ-UHFFFAOYSA-N 0 3 411.428 2.017 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000766346769 1078883218 /nfs/dbraw/zinc/88/32/18/1078883218.db2.gz SXTRSOBKOCOHJD-SFHVURJKSA-N 0 3 416.522 2.412 20 0 HEADHN CN1CCC2(CC1)NC(=O)N(CN1CCCc3cccc(Br)c31)C2=O ZINC000766354873 1078910055 /nfs/dbraw/zinc/91/00/55/1078910055.db2.gz UYOBVQWAKYFTNP-UHFFFAOYSA-N 0 3 407.312 2.175 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766356095 1078910633 /nfs/dbraw/zinc/91/06/33/1078910633.db2.gz XRKKRGWWMZCUQK-UHFFFAOYSA-N 0 3 419.323 2.416 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000770605496 1078913061 /nfs/dbraw/zinc/91/30/61/1078913061.db2.gz LSOIGMHPZKPREX-ZWKOTPCHSA-N 0 3 411.591 2.101 20 0 HEADHN CCC[C@@H]1CN(Cn2nc(C(=O)OC)c(Br)c2C)CCN1CCOC ZINC000766379534 1078928853 /nfs/dbraw/zinc/92/88/53/1078928853.db2.gz MQHRLWCIJNZCEW-CQSZACIVSA-N 0 3 417.348 2.131 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)CCN1CCOC ZINC000766383171 1078931619 /nfs/dbraw/zinc/93/16/19/1078931619.db2.gz WZACKDYILOJTBX-OFNKIYASSA-N 0 3 401.551 2.402 20 0 HEADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccnc1-c1cnn(C)c1 ZINC001168790972 1078988951 /nfs/dbraw/zinc/98/89/51/1078988951.db2.gz AVSWSFVSOQOMBI-HSZRJFAPSA-N 0 3 405.502 2.191 20 0 HEADHN COC(=O)C1(C)CCC(N2CCN(CC(=O)NCCc3ccccc3)CC2)CC1 ZINC001168794301 1079002089 /nfs/dbraw/zinc/00/20/89/1079002089.db2.gz QXIROZKJJZOPPS-UHFFFAOYSA-N 0 3 401.551 2.085 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000770749248 1079004312 /nfs/dbraw/zinc/00/43/12/1079004312.db2.gz LXLBECNRIGQXFJ-XMSQKQJNSA-N 0 3 424.545 2.395 20 0 HEADHN C[C@@H]1C[C@H](N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168860607 1079055677 /nfs/dbraw/zinc/05/56/77/1079055677.db2.gz VZWORMLBADCAQY-XMTFNYHQSA-N 0 3 403.527 2.012 20 0 HEADHN Cc1ccc(N2CCO[C@H]3CN([C@@H]4C[C@@H](C)N(C(=O)OC(C)(C)C)C4)C[C@H]32)nn1 ZINC001168858296 1079054817 /nfs/dbraw/zinc/05/48/17/1079054817.db2.gz PUEMRWDAQJHZBI-TVFCKZIOSA-N 0 3 403.527 2.072 20 0 HEADHN C[C@@H]1C[C@@H](N2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168865048 1079057243 /nfs/dbraw/zinc/05/72/43/1079057243.db2.gz LSNYCSOWWJHVBR-KURKYZTESA-N 0 3 407.555 2.345 20 0 HEADHN C[C@@H]1C[C@H](N2CCC3(C[C@H]3C(=O)N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168865053 1079057439 /nfs/dbraw/zinc/05/74/39/1079057439.db2.gz LSNYCSOWWJHVBR-SQNIBIBYSA-N 0 3 407.555 2.345 20 0 HEADHN C[C@H]1C[C@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168868401 1079058495 /nfs/dbraw/zinc/05/84/95/1079058495.db2.gz SOCUYGVPAJQWTK-ZFWWWQNUSA-N 0 3 403.527 2.382 20 0 HEADHN NC(=O)[C@@](O)(C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC001168847584 1079060295 /nfs/dbraw/zinc/06/02/95/1079060295.db2.gz CREJGTZNEVZOAQ-OAQYLSRUSA-N 0 3 417.893 2.069 20 0 HEADHN COc1ccc(CN2CC[C@@H](NCc3cccc(S(C)(=O)=O)c3)CC2=O)cc1 ZINC001168891524 1079062925 /nfs/dbraw/zinc/06/29/25/1079062925.db2.gz GVDVBEIHSDESHS-GOSISDBHSA-N 0 3 402.516 2.380 20 0 HEADHN COc1ccc(CN2CC[C@H](NCc3cccc(S(C)(=O)=O)c3)CC2=O)cc1 ZINC001168891527 1079062981 /nfs/dbraw/zinc/06/29/81/1079062981.db2.gz GVDVBEIHSDESHS-SFHVURJKSA-N 0 3 402.516 2.380 20 0 HEADHN COc1ccc(C(=O)CCC(=O)N2C[C@@]3(C)CN(C)C[C@@]3(C)C2)c(OC)c1OC ZINC001168929714 1079088173 /nfs/dbraw/zinc/08/81/73/1079088173.db2.gz KCERYUPRMDORDG-SZPZYZBQSA-N 0 3 404.507 2.476 20 0 HEADHN COc1c(C)[nH]cc(CN(C)C(=O)Cc2csc(SCCN(C)C)n2)c1=O ZINC001168969800 1079093691 /nfs/dbraw/zinc/09/36/91/1079093691.db2.gz HWWIHZTVARZIMI-UHFFFAOYSA-N 0 3 410.565 2.003 20 0 HEADHN O=C(CCCCNC(=O)OCc1ccccc1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771038858 1079113036 /nfs/dbraw/zinc/11/30/36/1079113036.db2.gz KMGNJCDATJWKBS-HXUWFJFHSA-N 0 3 403.523 2.453 20 0 HEADHN C[C@H]1CN(c2ccc(NC(=O)NC(C)(C)CCN3CCN(C)CC3)cc2)CCO1 ZINC000771153800 1079165781 /nfs/dbraw/zinc/16/57/81/1079165781.db2.gz PGEYBXHUDUVUFF-SFHVURJKSA-N 0 3 403.571 2.449 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150784 1079167265 /nfs/dbraw/zinc/16/72/65/1079167265.db2.gz WDXXRYLQUIXTTA-YCRNBWNJSA-N 0 3 417.550 2.446 20 0 HEADHN COc1ccc2c(c1)CN([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169203142 1079184141 /nfs/dbraw/zinc/18/41/41/1079184141.db2.gz SZXGUXUFWCSXFS-HNNXBMFYSA-N 0 3 411.506 2.017 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000766652490 1079220908 /nfs/dbraw/zinc/22/09/08/1079220908.db2.gz QACZBTJMZKLNPR-IFXJQAMLSA-N 0 3 417.481 2.463 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CO1 ZINC001169388799 1079259633 /nfs/dbraw/zinc/25/96/33/1079259633.db2.gz QJJPNQCAKPGCKN-RTBURBONSA-N 0 3 401.507 2.007 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)N[C@@H](CO)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000771271842 1079259754 /nfs/dbraw/zinc/25/97/54/1079259754.db2.gz JQIKMBGVHQSBEU-IFMALSPDSA-N 0 3 412.534 2.435 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392774 1079263445 /nfs/dbraw/zinc/26/34/45/1079263445.db2.gz QRUGOUYMEIXNDV-GSEOLPGOSA-N 0 3 423.579 2.085 20 0 HEADHN O=C(NCCN(Cc1ccccc1)c1ccccn1)NC[C@H]1CCCCN1CCO ZINC001687511281 1079270799 /nfs/dbraw/zinc/27/07/99/1079270799.db2.gz REEWSPHJUZQRQZ-OAQYLSRUSA-N 0 3 411.550 2.234 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccnc(F)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170024822 1079274302 /nfs/dbraw/zinc/27/43/02/1079274302.db2.gz CZMYYFSVQSNMPM-GJZGRUSLSA-N 0 3 410.515 2.221 20 0 HEADHN C[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000771307455 1079277196 /nfs/dbraw/zinc/27/71/96/1079277196.db2.gz HIQUEACLWCNOIO-QGZVFWFLSA-N 0 3 417.554 2.420 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771328715 1079289230 /nfs/dbraw/zinc/28/92/30/1079289230.db2.gz YXUDACMEXUGHIE-KRWDZBQOSA-N 0 3 411.591 2.005 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771328717 1079289276 /nfs/dbraw/zinc/28/92/76/1079289276.db2.gz YXUDACMEXUGHIE-QGZVFWFLSA-N 0 3 411.591 2.005 20 0 HEADHN Cc1ccc(CNC(=O)Cc2noc([C@]3(O)CCN(Cc4ccccc4)C3)n2)cc1 ZINC000771365747 1079305537 /nfs/dbraw/zinc/30/55/37/1079305537.db2.gz QNHBOASCCNCSFB-QHCPKHFHSA-N 0 3 406.486 2.330 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000771353642 1079301891 /nfs/dbraw/zinc/30/18/91/1079301891.db2.gz OSNWFVTVGBFUBK-UHFFFAOYSA-N 0 3 411.591 2.149 20 0 HEADHN O=C(NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)NCCN1CCCCC1 ZINC000766724705 1079303819 /nfs/dbraw/zinc/30/38/19/1079303819.db2.gz KOJJRAOGMAPXPS-UHFFFAOYSA-N 0 3 423.457 2.144 20 0 HEADHN CCN(CC)C(=O)C[C@@H](C)N1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001169473098 1079311270 /nfs/dbraw/zinc/31/12/70/1079311270.db2.gz URITZSXURIILCA-NRSPTQNISA-N 0 3 416.566 2.086 20 0 HEADHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001169528359 1079324179 /nfs/dbraw/zinc/32/41/79/1079324179.db2.gz VGDLWXHWBBXKPN-OXJNMPFZSA-N 0 3 401.532 2.116 20 0 HEADHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)COCCNC(=O)c1ccccc1 ZINC001169541052 1079326469 /nfs/dbraw/zinc/32/64/69/1079326469.db2.gz PDRLKMHSGKCSOC-UGKGYDQZSA-N 0 3 409.530 2.460 20 0 HEADHN CC(=O)N1CCC[C@H](N[C@@H](CN)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001169594375 1079337663 /nfs/dbraw/zinc/33/76/63/1079337663.db2.gz NLRCYQBBWINECB-SBUREZEXSA-N 0 3 407.514 2.270 20 0 HEADHN COC(=O)C1CCN(C(=O)c2cccnc2N2CCCc3ccc(CN)nc32)CC1 ZINC001169583966 1079346091 /nfs/dbraw/zinc/34/60/91/1079346091.db2.gz IPOJYJALWNRRGJ-UHFFFAOYSA-N 0 3 409.490 2.045 20 0 HEADHN CC(=O)N1CCC[C@H](N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)C1 ZINC001169614854 1079352607 /nfs/dbraw/zinc/35/26/07/1079352607.db2.gz KAHIYYCMEVLOIF-IBGZPJMESA-N 0 3 400.548 2.073 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)CC1 ZINC001169692175 1079373483 /nfs/dbraw/zinc/37/34/83/1079373483.db2.gz HGGLSTXXLPYWKE-YDZRNGNQSA-N 0 3 404.511 2.346 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(C2CCC(S(C)(=O)=O)CC2)[C@@H]2CCCO[C@H]12 ZINC001169880587 1079455267 /nfs/dbraw/zinc/45/52/67/1079455267.db2.gz POMWJXHYGMUUAZ-BFGFKNPTSA-N 0 3 407.580 2.101 20 0 HEADHN C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771733167 1079469839 /nfs/dbraw/zinc/46/98/39/1079469839.db2.gz VLDVDWYOEDHJHP-KRWDZBQOSA-N 0 3 411.568 2.343 20 0 HEADHN O=C(c1cccnc1S(=O)(=O)C(F)(F)F)N1CCC[C@H](N2CCCC2)CC1 ZINC000737690432 1075919414 /nfs/dbraw/zinc/91/94/14/1075919414.db2.gz CFAFKMUFPHLMJZ-ZDUSSCGKSA-N 0 3 405.442 2.466 20 0 HEADHN Cc1ccc(-c2nn(CN3CCN(C(=O)CN4CCCC4)CC3)c(=S)o2)cc1 ZINC000738159748 1075970437 /nfs/dbraw/zinc/97/04/37/1075970437.db2.gz BKMWYSPXIWDTLH-UHFFFAOYSA-N 0 3 401.536 2.379 20 0 HEADHN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CN3CCC(N4CN=NC4=O)CC3)C2)CC1 ZINC001169962264 1079496801 /nfs/dbraw/zinc/49/68/01/1079496801.db2.gz GCGAIFDMGQVXKL-QGZVFWFLSA-N 0 3 421.542 2.427 20 0 HEADHN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000738317107 1075988455 /nfs/dbraw/zinc/98/84/55/1075988455.db2.gz ILXKHICMMDQWDU-DENIHFKCSA-N 0 3 416.566 2.037 20 0 HEADHN Cc1ccccc1OC[C@H](O)CN(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326783 1075991025 /nfs/dbraw/zinc/99/10/25/1075991025.db2.gz OHBNCAQBNFSKNK-LJQANCHMSA-N 0 3 407.555 2.219 20 0 HEADHN CCN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000771778411 1079499112 /nfs/dbraw/zinc/49/91/12/1079499112.db2.gz PQPIYSAELBFSPI-PMACEKPBSA-N 0 3 403.523 2.215 20 0 HEADHN COCCN1CC[C@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)C1 ZINC000739006020 1076030445 /nfs/dbraw/zinc/03/04/45/1076030445.db2.gz OTCFVKMLSKVWCP-ROUUACIJSA-N 0 3 412.575 2.480 20 0 HEADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739078513 1076038790 /nfs/dbraw/zinc/03/87/90/1076038790.db2.gz CYEYOGITYMKVNO-SQNIBIBYSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1 ZINC000739084109 1076041490 /nfs/dbraw/zinc/04/14/90/1076041490.db2.gz YVGYGMSOSKLLNX-NQIIRXRSSA-N 0 3 424.545 2.139 20 0 HEADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739086293 1076042411 /nfs/dbraw/zinc/04/24/11/1076042411.db2.gz LFPSPRWFYVPLQE-IEBWSBKVSA-N 0 3 402.539 2.231 20 0 HEADHN CN(CC(=O)N1CCOC[C@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000766247482 1076142855 /nfs/dbraw/zinc/14/28/55/1076142855.db2.gz LEMSTRQTNOCCIL-SWDXFRIISA-N 0 3 407.555 2.486 20 0 HEADHN CC(C)(C)OC(=O)N1CCC(N(CC(=O)N2CCOC[C@H]2C2CC2)C2CC2)CC1 ZINC000766253669 1076157774 /nfs/dbraw/zinc/15/77/74/1076157774.db2.gz WDNNSIFSWGGGED-IBGZPJMESA-N 0 3 407.555 2.488 20 0 HEADHN CN(C)CCCN(CCCN(C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000740824539 1076247781 /nfs/dbraw/zinc/24/77/81/1076247781.db2.gz OTLIGSUELCXJPQ-UHFFFAOYSA-N 0 3 403.976 2.089 20 0 HEADHN CCOC(=O)c1nnc2ccccc2c1NCCCN1CCC(C(=O)OC)CC1 ZINC000740865703 1076274928 /nfs/dbraw/zinc/27/49/28/1076274928.db2.gz LNJKGUCPPIFONN-UHFFFAOYSA-N 0 3 400.479 2.494 20 0 HEADHN CCCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000740881367 1076280682 /nfs/dbraw/zinc/28/06/82/1076280682.db2.gz AOXNTNFDNBBTBR-NRBJIUACSA-N 0 3 420.554 2.044 20 0 HEADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](CCO)c1ccccc1 ZINC000740899168 1076296447 /nfs/dbraw/zinc/29/64/47/1076296447.db2.gz VEWJYDJGMJERRD-IRXDYDNUSA-N 0 3 411.955 2.460 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000740906815 1076298978 /nfs/dbraw/zinc/29/89/78/1076298978.db2.gz GJCAIWASRRYLFK-SFHVURJKSA-N 0 3 405.506 2.468 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CCO1 ZINC000741267764 1076437352 /nfs/dbraw/zinc/43/73/52/1076437352.db2.gz ALOSEAFYZUGMGE-VQTJNVASSA-N 0 3 403.523 2.433 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CCO1 ZINC000741268137 1076437921 /nfs/dbraw/zinc/43/79/21/1076437921.db2.gz DNKCYENEBGBHGF-MOPGFXCFSA-N 0 3 407.511 2.052 20 0 HEADHN Cc1ccc([C@@H](O)CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)o1 ZINC000741272394 1076439640 /nfs/dbraw/zinc/43/96/40/1076439640.db2.gz ZCSRRHHLDIPVNH-PMACEKPBSA-N 0 3 400.523 2.299 20 0 HEADHN COc1cc(CNC[C@H](O)c2c(F)cccc2Cl)cc(OC)c1OCC(N)=O ZINC000741255488 1076445680 /nfs/dbraw/zinc/44/56/80/1076445680.db2.gz ZEXMAKGUYAEWGV-AWEZNQCLSA-N 0 3 412.845 2.184 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](O)c1c(F)cccc1Cl ZINC000741432359 1076525493 /nfs/dbraw/zinc/52/54/93/1076525493.db2.gz SCXQYEVQXFTPHB-INIZCTEOSA-N 0 3 423.872 2.338 20 0 HEADHN COC(=O)N(C)CCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000741611629 1076565652 /nfs/dbraw/zinc/56/56/52/1076565652.db2.gz NAWGBTZBLDDETM-GOSISDBHSA-N 0 3 404.511 2.270 20 0 HEADHN CC[NH+]1CCC(CCNC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1 ZINC000742098706 1076749551 /nfs/dbraw/zinc/74/95/51/1076749551.db2.gz XBTBWLBPLMAIQZ-UHFFFAOYSA-N 0 3 415.506 2.257 20 0 HEADHN CCN(CC)CC(=O)N1CCN(Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000742147305 1076758523 /nfs/dbraw/zinc/75/85/23/1076758523.db2.gz AEJTWBPAEPZQNL-UHFFFAOYSA-N 0 3 424.521 2.329 20 0 HEADHN C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742164463 1076761061 /nfs/dbraw/zinc/76/10/61/1076761061.db2.gz ZZHXQRAWRDKVNS-PXNSSMCTSA-N 0 3 418.335 2.369 20 0 HEADHN C[C@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742162975 1076772897 /nfs/dbraw/zinc/77/28/97/1076772897.db2.gz LLBZEQACVJRUFW-DNVCBOLYSA-N 0 3 424.423 2.256 20 0 HEADHN CCCn1c2nn(CN3CC[C@@H](N4CC=CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000742163083 1076773465 /nfs/dbraw/zinc/77/34/65/1076773465.db2.gz PAKGPGVQQJRDED-MRXNPFEDSA-N 0 3 410.547 2.494 20 0 HEADHN C[C@@H]1CN=C(N2CCN(C(=O)CCCN3CCN(c4ccccc4)CC3)CC2)S1 ZINC000742192190 1076782463 /nfs/dbraw/zinc/78/24/63/1076782463.db2.gz XEAOJVDQWKXPTN-LJQANCHMSA-N 0 3 415.607 2.224 20 0 HEADHN C[C@@H](CNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)CN1CCCCC1 ZINC000742245168 1076805448 /nfs/dbraw/zinc/80/54/48/1076805448.db2.gz DZXKROMJYSLENF-AWEZNQCLSA-N 0 3 424.498 2.034 20 0 HEADHN COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000742304866 1076812888 /nfs/dbraw/zinc/81/28/88/1076812888.db2.gz IKPIQRSHYORVPT-SMDDNHRTSA-N 0 3 419.341 2.196 20 0 HEADHN C[C@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000742304384 1076813106 /nfs/dbraw/zinc/81/31/06/1076813106.db2.gz FPVYDQCJTAXERA-PXNSSMCTSA-N 0 3 423.579 2.389 20 0 HEADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)ccc1Br ZINC000742305173 1076813354 /nfs/dbraw/zinc/81/33/54/1076813354.db2.gz PDFKPHAWQGUGKV-NHYWBVRUSA-N 0 3 419.341 2.196 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000742290313 1076818766 /nfs/dbraw/zinc/81/87/66/1076818766.db2.gz UERVAMWSDKAFCF-VQTJNVASSA-N 0 3 421.563 2.288 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742669967 1076862968 /nfs/dbraw/zinc/86/29/68/1076862968.db2.gz OSRLPDIHVAIEJE-AZUAARDMSA-N 0 3 418.582 2.437 20 0 HEADHN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000743049051 1076938746 /nfs/dbraw/zinc/93/87/46/1076938746.db2.gz LMZUODOTWUSYEH-KRWDZBQOSA-N 0 3 420.535 2.037 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)N(C)C)cc1 ZINC000743414035 1077049142 /nfs/dbraw/zinc/04/91/42/1077049142.db2.gz PVSMXNALKMGWAO-JOCHJYFZSA-N 0 3 423.561 2.104 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1)N1CCC(C)CC1 ZINC000743414795 1077049614 /nfs/dbraw/zinc/04/96/14/1077049614.db2.gz WRPZBDFUSXXAOD-SFHVURJKSA-N 0 3 410.518 2.072 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](Cc1ccccc1)N(C)C ZINC000743714736 1077095360 /nfs/dbraw/zinc/09/53/60/1077095360.db2.gz PZHCXAAUMGLPMY-QZTJIDSGSA-N 0 3 424.998 2.467 20 0 HEADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](Cc1ccccc1)N(C)C ZINC000743714738 1077095439 /nfs/dbraw/zinc/09/54/39/1077095439.db2.gz PZHCXAAUMGLPMY-ZWKOTPCHSA-N 0 3 424.998 2.467 20 0 HEADHN Cc1ccc(S(=O)(=O)NCCN(C)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000743866275 1077151406 /nfs/dbraw/zinc/15/14/06/1077151406.db2.gz BDKWMQREHVUNJM-KRWDZBQOSA-N 0 3 411.568 2.462 20 0 HEADHN CN(C[C@H]1CCCN1CCOc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743867287 1077153773 /nfs/dbraw/zinc/15/37/73/1077153773.db2.gz SJPIPXLAWGJDEE-OAHLLOKOSA-N 0 3 413.540 2.044 20 0 HEADHN C[C@H]1CCN(CC(=O)NC2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000743872477 1077157058 /nfs/dbraw/zinc/15/70/58/1077157058.db2.gz YNUUHOBBCAFKIB-IBGZPJMESA-N 0 3 401.551 2.385 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000743882940 1077172279 /nfs/dbraw/zinc/17/22/79/1077172279.db2.gz GGODDNFTANGPBS-GDBMZVCRSA-N 0 3 402.495 2.127 20 0 HEADHN CSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000743912285 1077189205 /nfs/dbraw/zinc/18/92/05/1077189205.db2.gz URANLKXKVSYPRA-QAPCUYQASA-N 0 3 420.579 2.049 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000743914338 1077191763 /nfs/dbraw/zinc/19/17/63/1077191763.db2.gz NTPVBCDVRFXABK-FGZHOGPDSA-N 0 3 423.513 2.321 20 0 HEADHN CCOC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1)CCC2 ZINC000743894839 1077207350 /nfs/dbraw/zinc/20/73/50/1077207350.db2.gz BJYHINGICJEAQL-ZDUSSCGKSA-N 0 3 407.536 2.343 20 0 HEADHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000743941873 1077236840 /nfs/dbraw/zinc/23/68/40/1077236840.db2.gz UXBMDAJFIFSFOK-OAHLLOKOSA-N 0 3 404.511 2.155 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nc(C)c(C)s3)cc2)CC1 ZINC000744000443 1077287768 /nfs/dbraw/zinc/28/77/68/1077287768.db2.gz RYAWVVVIDRDUDV-UHFFFAOYSA-N 0 3 401.536 2.157 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000743977836 1077291106 /nfs/dbraw/zinc/29/11/06/1077291106.db2.gz ACEMLTMRSPXRHR-CQSZACIVSA-N 0 3 410.971 2.432 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000743978373 1077291498 /nfs/dbraw/zinc/29/14/98/1077291498.db2.gz HLCTYMODOAZYEI-ZDUSSCGKSA-N 0 3 409.412 2.430 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000743978602 1077291606 /nfs/dbraw/zinc/29/16/06/1077291606.db2.gz LIBXISUUZZDPKV-CQSZACIVSA-N 0 3 406.914 2.115 20 0 HEADHN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743982683 1077294460 /nfs/dbraw/zinc/29/44/60/1077294460.db2.gz XTVJVOOSXYIRKL-MRXNPFEDSA-N 0 3 400.523 2.206 20 0 HEADHN CC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)c(C(F)(F)F)c1 ZINC000743981901 1077295123 /nfs/dbraw/zinc/29/51/23/1077295123.db2.gz LWEFJTPSWHEZKI-LLVKDONJSA-N 0 3 400.401 2.203 20 0 HEADHN COCCOC(=O)c1sc2[nH]c(CN[C@H]3C[C@@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000745222018 1077781304 /nfs/dbraw/zinc/78/13/04/1077781304.db2.gz SCLWAKBLOXLFIK-FKIZINRSSA-N 0 3 423.535 2.389 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000766328433 1077812149 /nfs/dbraw/zinc/81/21/49/1077812149.db2.gz DQYDFMIMUFBIMQ-ZWKOTPCHSA-N 0 3 417.554 2.319 20 0 HEADHN NC(=O)c1ccsc1NC(=O)CCN1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000771792341 1079509396 /nfs/dbraw/zinc/50/93/96/1079509396.db2.gz VHZLRBJJQNPHIG-CQSZACIVSA-N 0 3 416.551 2.373 20 0 HEADHN Cc1cc(NC(=S)NCC(=O)NC(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000771846381 1079535099 /nfs/dbraw/zinc/53/50/99/1079535099.db2.gz CVLDFQBXLYVEJK-GOSISDBHSA-N 0 3 414.579 2.450 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(N2C(=O)NC(CC(F)(F)F)C2=O)ccc1C ZINC000771802459 1079536629 /nfs/dbraw/zinc/53/66/29/1079536629.db2.gz PDPUTDOVMMKXNI-LBPRGKRZSA-N 0 3 407.414 2.403 20 0 HEADHN C[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C[C@@H]1C ZINC000766989160 1079550538 /nfs/dbraw/zinc/55/05/38/1079550538.db2.gz ROWGKTPPUCNJJZ-BIJYSIMDSA-N 0 3 402.520 2.212 20 0 HEADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@H]1C ZINC000766991288 1079554026 /nfs/dbraw/zinc/55/40/26/1079554026.db2.gz NRZKPYKVGFKJQB-WYIUCGTISA-N 0 3 405.564 2.109 20 0 HEADHN O=C(CCN1CCC([C@H](O)C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000767019608 1079592154 /nfs/dbraw/zinc/59/21/54/1079592154.db2.gz HRNMXQKANBFLEC-IBGZPJMESA-N 0 3 415.456 2.487 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(Cc2ccccc2)CC[C@H]1C ZINC000767165073 1079702423 /nfs/dbraw/zinc/70/24/23/1079702423.db2.gz SYGDRSJDIVSUFE-MJGOQNOKSA-N 0 3 422.595 2.434 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000772071987 1079709191 /nfs/dbraw/zinc/70/91/91/1079709191.db2.gz VFKHEKWXPZPOKS-SJORKVTESA-N 0 3 415.600 2.298 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1ccc(F)cc1F ZINC000767358338 1079828308 /nfs/dbraw/zinc/82/83/08/1079828308.db2.gz CGQYDWQVPZSIQS-NQIIRXRSSA-N 0 3 401.413 2.195 20 0 HEADHN O=S1(=O)CCC(O)(CN2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000767363886 1079829741 /nfs/dbraw/zinc/82/97/41/1079829741.db2.gz KXQSDZWRYRTTJJ-INIZCTEOSA-N 0 3 402.354 2.396 20 0 HEADHN CN1CCC(NC(=S)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000767418384 1079855406 /nfs/dbraw/zinc/85/54/06/1079855406.db2.gz DTQMGDJFCWJBLE-HNNXBMFYSA-N 0 3 414.497 2.365 20 0 HEADHN CN1CCC(NC(=S)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000767418386 1079855468 /nfs/dbraw/zinc/85/54/68/1079855468.db2.gz DTQMGDJFCWJBLE-OAHLLOKOSA-N 0 3 414.497 2.365 20 0 HEADHN CCOC(=O)C1=C(CN(C)CC2CCOCC2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000767700816 1080029956 /nfs/dbraw/zinc/02/99/56/1080029956.db2.gz JKACNXUMGOBYPN-HXUWFJFHSA-N 0 3 417.506 2.225 20 0 HEADHN CCOC(=O)C1C(CN(C)CC2CCOCC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000767700816 1080029967 /nfs/dbraw/zinc/02/99/67/1080029967.db2.gz JKACNXUMGOBYPN-HXUWFJFHSA-N 0 3 417.506 2.225 20 0 HEADHN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000767773125 1080081106 /nfs/dbraw/zinc/08/11/06/1080081106.db2.gz BDMBMFGUJLZSDQ-FGSXEWAUSA-N 0 3 403.523 2.406 20 0 HEADHN O=C(COC(=O)c1cccc(-c2nnc[nH]2)c1)N1CCN(Cc2cccs2)CC1 ZINC000767808465 1080110527 /nfs/dbraw/zinc/11/05/27/1080110527.db2.gz SBTHEZLKFLQGJK-UHFFFAOYSA-N 0 3 411.487 2.034 20 0 HEADHN CN(C[C@@H]1CCCCO1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170048914 1080160164 /nfs/dbraw/zinc/16/01/64/1080160164.db2.gz VJQWVFYQAJYABL-IKGGRYGDSA-N 0 3 413.584 2.398 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)c2cc(F)ccc2F)CC1=O ZINC000785654953 1080173215 /nfs/dbraw/zinc/17/32/15/1080173215.db2.gz UQZQRBUEXYOPDE-IIAWOOMASA-N 0 3 408.445 2.412 20 0 HEADHN CN1C(=O)c2ccc(NC(=O)COC(=O)c3cccc(CN4CCCC4)c3)cc2C1=O ZINC000785710853 1080219305 /nfs/dbraw/zinc/21/93/05/1080219305.db2.gz ZOJIPTUVIMYYKL-UHFFFAOYSA-N 0 3 421.453 2.304 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)Nc1nnc([C@@H]2CCCO2)o1 ZINC000785715737 1080224765 /nfs/dbraw/zinc/22/47/65/1080224765.db2.gz VECGEJPETRTLMU-INIZCTEOSA-N 0 3 400.435 2.312 20 0 HEADHN CC1CCN(CCNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000767980217 1080246598 /nfs/dbraw/zinc/24/65/98/1080246598.db2.gz CPDCHRDRWOFISA-UHFFFAOYSA-N 0 3 403.708 2.284 20 0 HEADHN Cc1ccc(C)c(N2N=C(C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)CCC2=O)c1 ZINC000785816787 1080256544 /nfs/dbraw/zinc/25/65/44/1080256544.db2.gz UDVVDLTTZGHYPZ-SFHVURJKSA-N 0 3 412.534 2.498 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000785816844 1080256652 /nfs/dbraw/zinc/25/66/52/1080256652.db2.gz VCNRWWARYUTAHA-FUHWJXTLSA-N 0 3 419.953 2.400 20 0 HEADHN CN(C)Cc1cccc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000767995136 1080264416 /nfs/dbraw/zinc/26/44/16/1080264416.db2.gz MENYFHPGCSYSTN-UHFFFAOYSA-N 0 3 416.547 2.082 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000785973156 1080331388 /nfs/dbraw/zinc/33/13/88/1080331388.db2.gz UTEITKXPMFONSW-UHFFFAOYSA-N 0 3 419.529 2.121 20 0 HEADHN O=C(CCn1ccnn1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001109202009 1080356051 /nfs/dbraw/zinc/35/60/51/1080356051.db2.gz BZVLOQDGDGIZLD-NSOKGPEJSA-N 0 3 401.461 2.439 20 0 HEADHN Cn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]nc3c2CN(C(=O)OC(C)(C)C)CC3)C1 ZINC000768154507 1080373426 /nfs/dbraw/zinc/37/34/26/1080373426.db2.gz PNYAOVDFMMTPND-CQSZACIVSA-N 0 3 414.510 2.456 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(C)(C)OC(C)(C)C3)cc2)CC1 ZINC000786011652 1080373938 /nfs/dbraw/zinc/37/39/38/1080373938.db2.gz PRSZXEZMIRGQED-UHFFFAOYSA-N 0 3 402.539 2.183 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC001169989111 1080396791 /nfs/dbraw/zinc/39/67/91/1080396791.db2.gz BJIMWMYCLLDMHN-JOCHJYFZSA-N 0 3 414.594 2.079 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)/C(=C\c2ccccc2)n2nnnc2C)CC1 ZINC001169989131 1080396950 /nfs/dbraw/zinc/39/69/50/1080396950.db2.gz CDHXNNZMRWUOAC-LVZFUZTISA-N 0 3 410.522 2.083 20 0 HEADHN C[C@@H](C(=O)NC1CC1)N1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768228681 1080431930 /nfs/dbraw/zinc/43/19/30/1080431930.db2.gz LIGPAWQGTNPZQU-KRWDZBQOSA-N 0 3 408.587 2.308 20 0 HEADHN COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]Cc1ccc(CC[NH+](C)C)cc1 ZINC000786126581 1080444478 /nfs/dbraw/zinc/44/44/78/1080444478.db2.gz QEYUKXWIKIXTKE-UHFFFAOYSA-N 0 3 411.911 2.104 20 0 HEADHN CC(C)CN1N=C(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)CCC1=O ZINC000768244015 1080457144 /nfs/dbraw/zinc/45/71/44/1080457144.db2.gz UBSWBSCHHKWEHU-UHFFFAOYSA-N 0 3 400.523 2.464 20 0 HEADHN CN1CC[C@@H]2[C@H](CCCN2C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768294392 1080466682 /nfs/dbraw/zinc/46/66/82/1080466682.db2.gz RAADCVDRRKEJDZ-DWBSNAHUSA-N 0 3 419.566 2.391 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC000786256851 1080495653 /nfs/dbraw/zinc/49/56/53/1080495653.db2.gz YIFNMMHWEZBRQV-INIZCTEOSA-N 0 3 401.511 2.242 20 0 HEADHN CS(=O)(=O)c1cc(C(=O)NCc2ccccc2CN2CCC(O)CC2)ccc1F ZINC000786261810 1080500744 /nfs/dbraw/zinc/50/07/44/1080500744.db2.gz VVZFKMXRWKAWQB-UHFFFAOYSA-N 0 3 420.506 2.116 20 0 HEADHN CCOc1cc(CN2CCC(C(=O)NCCO)CC2)ccc1OCC(F)(F)F ZINC000768316059 1080502025 /nfs/dbraw/zinc/50/20/25/1080502025.db2.gz BERVTORVZJTQEP-UHFFFAOYSA-N 0 3 404.429 2.347 20 0 HEADHN COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000786345748 1080553428 /nfs/dbraw/zinc/55/34/28/1080553428.db2.gz XRGUUILGYZOLOB-NRFANRHFSA-N 0 3 423.513 2.464 20 0 HEADHN CC1CCN(CCNC(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000786412720 1080591628 /nfs/dbraw/zinc/59/16/28/1080591628.db2.gz KSZGLQFIFOUXNY-UHFFFAOYSA-N 0 3 424.586 2.178 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000768726057 1080754994 /nfs/dbraw/zinc/75/49/94/1080754994.db2.gz BAOGOELMRINJEN-CYBMUJFWSA-N 0 3 409.412 2.430 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000786719295 1080771149 /nfs/dbraw/zinc/77/11/49/1080771149.db2.gz OOBUCEHNRWYGKV-MSOLQXFVSA-N 0 3 419.551 2.193 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC000786734821 1080783660 /nfs/dbraw/zinc/78/36/60/1080783660.db2.gz KZZWQOXXXGKWRA-QGZVFWFLSA-N 0 3 421.567 2.268 20 0 HEADHN CC(C)(C)OC(=O)NCCCNC(=O)C(=O)NCCN1CCC2(CCCCC2)CC1 ZINC000786747923 1080792876 /nfs/dbraw/zinc/79/28/76/1080792876.db2.gz VIFKZVORESDFPX-UHFFFAOYSA-N 0 3 424.586 2.180 20 0 HEADHN Cc1cc(-n2cc(COC(=O)C3CC[C@H](C(F)(F)F)NC3=O)nn2)ccc1F ZINC000786766670 1080809708 /nfs/dbraw/zinc/80/97/08/1080809708.db2.gz KBAFWQKUMDERKH-GXTWGEPZSA-N 0 3 400.332 2.215 20 0 HEADHN CNS(=O)(=O)Cc1ccc(CN[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786799296 1080832809 /nfs/dbraw/zinc/83/28/09/1080832809.db2.gz GMFHUDYJQPDRFE-OAHLLOKOSA-N 0 3 402.520 2.116 20 0 HEADHN CS(=O)(=O)c1cccc(NC(=O)COC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786815233 1080840478 /nfs/dbraw/zinc/84/04/78/1080840478.db2.gz BWEQOHJGNIIXME-UHFFFAOYSA-N 0 3 416.499 2.020 20 0 HEADHN NC(=O)COc1ccc(CN[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786842416 1080869061 /nfs/dbraw/zinc/86/90/61/1080869061.db2.gz ZRDQRWFXQFIYLK-LJQANCHMSA-N 0 3 403.429 2.110 20 0 HEADHN O=C(Nc1ccn(Cc2ccccn2)n1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000768996518 1080894836 /nfs/dbraw/zinc/89/48/36/1080894836.db2.gz RQNJCIDCDVUYNC-CTNGQTDRSA-N 0 3 420.517 2.331 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000769192803 1080967337 /nfs/dbraw/zinc/96/73/37/1080967337.db2.gz PGXGDRYWWQSASR-MRXNPFEDSA-N 0 3 405.495 2.268 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)Cc2ccccc2CO)CC1 ZINC000787067544 1080976739 /nfs/dbraw/zinc/97/67/39/1080976739.db2.gz YGRNJFQIHBMUAE-UHFFFAOYSA-N 0 3 410.514 2.308 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1cccc(NC(=O)C2CCC2)c1)N1CCCCC1 ZINC000787084779 1080987644 /nfs/dbraw/zinc/98/76/44/1080987644.db2.gz RIRHRJNOJPRAOR-MRXNPFEDSA-N 0 3 400.523 2.032 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000769253233 1081017979 /nfs/dbraw/zinc/01/79/79/1081017979.db2.gz LWXYEYAFECUFHK-ZDUSSCGKSA-N 0 3 409.412 2.430 20 0 HEADHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc2c(c1)CC(=O)N2C ZINC000787175199 1081045506 /nfs/dbraw/zinc/04/55/06/1081045506.db2.gz VZFGMUJBHJAUGP-HOTGVXAUSA-N 0 3 400.523 2.161 20 0 HEADHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000769434608 1081073289 /nfs/dbraw/zinc/07/32/89/1081073289.db2.gz NRGLKYSUYVBUIR-JOCHJYFZSA-N 0 3 412.534 2.367 20 0 HEADHN CN1CCN(CCCNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769538228 1081114483 /nfs/dbraw/zinc/11/44/83/1081114483.db2.gz APCVZLGHSOJZNH-UHFFFAOYSA-N 0 3 402.539 2.305 20 0 HEADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000769537889 1081114668 /nfs/dbraw/zinc/11/46/68/1081114668.db2.gz NUCUHNCCOPAWAK-QRQLOZEOSA-N 0 3 420.554 2.082 20 0 HEADHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599812 1081137507 /nfs/dbraw/zinc/13/75/07/1081137507.db2.gz OHAZSRBIZAOTNL-WBVHZDCISA-N 0 3 411.543 2.459 20 0 HEADHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599812 1081137513 /nfs/dbraw/zinc/13/75/13/1081137513.db2.gz OHAZSRBIZAOTNL-WBVHZDCISA-N 0 3 411.543 2.459 20 0 HEADHN CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164731570 720485815 /nfs/dbraw/zinc/48/58/15/720485815.db2.gz WMQFSHMABDTDIQ-QMMLZNLJSA-N 0 3 407.518 2.393 20 0 HEADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164741824 720741210 /nfs/dbraw/zinc/74/12/10/720741210.db2.gz NCCIFJAHEIXTEY-WOJBJXKFSA-N 0 3 417.517 2.342 20 0 HEADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)CC1 ZINC001164744755 720759427 /nfs/dbraw/zinc/75/94/27/720759427.db2.gz SIOPTOCWQXXFSJ-RTBURBONSA-N 0 3 422.533 2.086 20 0 HEADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)CC1 ZINC001164744745 720760093 /nfs/dbraw/zinc/76/00/93/720760093.db2.gz SIOPTOCWQXXFSJ-OALUTQOASA-N 0 3 422.533 2.086 20 0 HEADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868013 721047175 /nfs/dbraw/zinc/04/71/75/721047175.db2.gz MAAYNIVIAVULMQ-HZPDHXFCSA-N 0 3 402.882 2.396 20 0 HEADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CCN3C2)c1 ZINC001164866815 721060375 /nfs/dbraw/zinc/06/03/75/721060375.db2.gz FXGUZNWPCULWCR-QZTJIDSGSA-N 0 3 419.485 2.276 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164864986 721087504 /nfs/dbraw/zinc/08/75/04/721087504.db2.gz HWIUCXQAKNQBPP-ROUUACIJSA-N 0 3 410.522 2.336 20 0 HEADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865509 721089894 /nfs/dbraw/zinc/08/98/94/721089894.db2.gz MDLUCHZTWWHELF-WOJBJXKFSA-N 0 3 409.534 2.485 20 0 HEADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)C[C@H]3C2)cn1 ZINC001164770469 721090702 /nfs/dbraw/zinc/09/07/02/721090702.db2.gz QMNYVYDSAYPNCB-DLBZAZTESA-N 0 3 406.490 2.093 20 0 HEADHN COc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164772645 721091707 /nfs/dbraw/zinc/09/17/07/721091707.db2.gz VJHNURRRXLHWPN-IRXDYDNUSA-N 0 3 408.506 2.339 20 0 HEADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864340 721104910 /nfs/dbraw/zinc/10/49/10/721104910.db2.gz FLDRZSIIJLUAHL-VQTJNVASSA-N 0 3 418.501 2.422 20 0 HEADHN CN1CCN(c2cccc(N3Cc4cncn4C[C@@H](COc4cccnc4)C3)n2)CC1 ZINC001164768986 721274169 /nfs/dbraw/zinc/27/41/69/721274169.db2.gz MUDFMGHHWYBJIY-IBGZPJMESA-N 0 3 419.533 2.140 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NC1CC1 ZINC001164890872 721378670 /nfs/dbraw/zinc/37/86/70/721378670.db2.gz OSJHMCGSHFKGJW-KNQAVFIVSA-N 0 3 400.571 2.125 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890358 721420482 /nfs/dbraw/zinc/42/04/82/721420482.db2.gz SFJKTDVITCOQLZ-FOIQADDNSA-N 0 3 404.946 2.377 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898822 721523206 /nfs/dbraw/zinc/52/32/06/721523206.db2.gz JKQSQSCTISLPIT-TZMCWYRMSA-N 0 3 408.836 2.454 20 0 HEADHN CCOC(=O)c1ncnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C ZINC001164910678 721538912 /nfs/dbraw/zinc/53/89/12/721538912.db2.gz UPFOEOFNQMOJOU-SJLPKXTDSA-N 0 3 400.454 2.443 20 0 HEADHN CCOC(=O)c1ncnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C ZINC001164910663 721539193 /nfs/dbraw/zinc/53/91/93/721539193.db2.gz UPFOEOFNQMOJOU-AEFFLSMTSA-N 0 3 400.454 2.443 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903097 721560356 /nfs/dbraw/zinc/56/03/56/721560356.db2.gz AJZXYKLIVWUQEL-HIFRSBDPSA-N 0 3 406.845 2.398 20 0 HEADHN CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CCN(C)CC3)n2)[C@@H]2CCCO[C@@H]21 ZINC001164808865 721565496 /nfs/dbraw/zinc/56/54/96/721565496.db2.gz WBINLRIYAUZEGI-DPLHUUCSSA-N 0 3 422.577 2.097 20 0 HEADHN Cc1cccc(CN2CCO[C@@H]3CN(c4cc(CN(C)C)ccn4)CC[C@@H]3C2=O)n1 ZINC001164799411 721603271 /nfs/dbraw/zinc/60/32/71/721603271.db2.gz KETJPPCSLVIMIX-LEWJYISDSA-N 0 3 409.534 2.101 20 0 HEADHN Cc1nc(CN2CCOC[C@]3(CN(c4cc(CN(C)C)ccn4)CCO3)C2)cs1 ZINC001164920164 721833243 /nfs/dbraw/zinc/83/32/43/721833243.db2.gz BOVAVYMTJROANP-OAQYLSRUSA-N 0 3 417.579 2.016 20 0 HEADHN Cc1nc(N2CCCC2)cc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)n1 ZINC001164945775 721970027 /nfs/dbraw/zinc/97/00/27/721970027.db2.gz RUZDMNXFZRXFPZ-UHFFFAOYSA-N 0 3 420.561 2.356 20 0 HEADHN COC(=O)Cc1cccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164964707 722055166 /nfs/dbraw/zinc/05/51/66/722055166.db2.gz XBUKNJIYKMQANN-UHFFFAOYSA-N 0 3 410.518 2.311 20 0 HEADHN COc1cnc(SC)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984361 722102453 /nfs/dbraw/zinc/10/24/53/722102453.db2.gz SUFITKBBKVFUSS-SJLPKXTDSA-N 0 3 401.536 2.329 20 0 HEADHN CCCNC(=O)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164981035 722143341 /nfs/dbraw/zinc/14/33/41/722143341.db2.gz OKHWXROGJSQSMC-LEWJYISDSA-N 0 3 409.534 2.344 20 0 HEADHN F[C@H](Oc1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971064 722153052 /nfs/dbraw/zinc/15/30/52/722153052.db2.gz AGQTYJPGPUHWSX-MDZRGWNJSA-N 0 3 407.877 2.380 20 0 HEADHN c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ccc(CN3CCCC3)cn2)c1 ZINC001164987844 722173054 /nfs/dbraw/zinc/17/30/54/722173054.db2.gz OXJDYZSKMQVGQF-FQEVSTJZSA-N 0 3 420.517 2.218 20 0 HEADHN CCCn1c(=O)cc(Nc2ccc(N3CCN(C(C)C)CC3)nc2)n(CCC)c1=O ZINC001170007845 1078476426 /nfs/dbraw/zinc/47/64/26/1078476426.db2.gz RFPFKAIVPKJUCZ-UHFFFAOYSA-N 0 3 414.554 2.499 20 0 HEADHN C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624881 1078478845 /nfs/dbraw/zinc/47/88/45/1078478845.db2.gz LPUXBOCGURWHHS-IHPCNDPISA-N 0 3 416.566 2.365 20 0 HEADHN CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000769735037 1078553287 /nfs/dbraw/zinc/55/32/87/1078553287.db2.gz FZCZDZZPXBLZOV-IEBWSBKVSA-N 0 3 404.511 2.362 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(CCO[C@@H]3CCCCO3)C2)C(=O)C1 ZINC000769787946 1078566752 /nfs/dbraw/zinc/56/67/52/1078566752.db2.gz FYQBSLBXVAOTKN-PKOBYXMFSA-N 0 3 411.543 2.073 20 0 HEADHN O=C(COC(=O)C1CC(=O)C1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000769806816 1078571843 /nfs/dbraw/zinc/57/18/43/1078571843.db2.gz VVNQNWFVOMMFPS-UHFFFAOYSA-N 0 3 421.497 2.470 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000745745178 1078633104 /nfs/dbraw/zinc/63/31/04/1078633104.db2.gz YDGXPFIAPPPNHR-LJQANCHMSA-N 0 3 415.582 2.276 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000745781407 1078640258 /nfs/dbraw/zinc/64/02/58/1078640258.db2.gz NXPRLNHRYGIFST-ZWKOTPCHSA-N 0 3 417.554 2.277 20 0 HEADHN CCCN(CCN(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769959670 1078652435 /nfs/dbraw/zinc/65/24/35/1078652435.db2.gz QJKYWFZDVAYVGP-LJQANCHMSA-N 0 3 412.893 2.046 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)C2=O)cc1 ZINC000745879722 1078682659 /nfs/dbraw/zinc/68/26/59/1078682659.db2.gz WBCGGZXMJRBJOA-VQTJNVASSA-N 0 3 402.539 2.243 20 0 HEADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1nccn2c(Br)cnc12 ZINC000770035118 1078698652 /nfs/dbraw/zinc/69/86/52/1078698652.db2.gz HCWKSCLTPLPLJO-UHFFFAOYSA-N 0 3 418.295 2.401 20 0 HEADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000770049589 1078704417 /nfs/dbraw/zinc/70/44/17/1078704417.db2.gz OICIFBHEYBLIIO-KXBFYZLASA-N 0 3 405.520 2.290 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@H](C(F)(F)F)O[C@@H](C)C3)cc2)CC1 ZINC000745946290 1078705106 /nfs/dbraw/zinc/70/51/06/1078705106.db2.gz RTUMXVOMYOPCNQ-MAUKXSAKSA-N 0 3 414.472 2.419 20 0 HEADHN COc1cccc(OC)c1OC[C@H](O)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945566 1078709310 /nfs/dbraw/zinc/70/93/10/1078709310.db2.gz VRRGYEDSMAUYSH-HZPDHXFCSA-N 0 3 410.511 2.385 20 0 HEADHN CCOC(=O)N1CCC[C@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000746011846 1078731126 /nfs/dbraw/zinc/73/11/26/1078731126.db2.gz PLBDTRFNVKCSJO-IBGZPJMESA-N 0 3 403.523 2.128 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000770172100 1078767938 /nfs/dbraw/zinc/76/79/38/1078767938.db2.gz FXMWMIYRFDZPMT-AZUAARDMSA-N 0 3 418.582 2.437 20 0 HEADHN Cc1sc(=O)n(CC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1-c1ccc(F)cc1 ZINC000770174393 1078769823 /nfs/dbraw/zinc/76/98/23/1078769823.db2.gz SWGVYGGRVHYLLI-HNNXBMFYSA-N 0 3 420.554 2.167 20 0 HEADHN Cc1sc2ncn(NC(=O)CCN3CCN(c4ccccc4)CC3)c(=O)c2c1C ZINC000746106213 1078788026 /nfs/dbraw/zinc/78/80/26/1078788026.db2.gz GZHQOOJNZYSWOV-UHFFFAOYSA-N 0 3 411.531 2.357 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN(C)C3(C(=O)OC)CCCC3)cc2)CC1 ZINC000770244200 1078784113 /nfs/dbraw/zinc/78/41/13/1078784113.db2.gz YROBDZGZKCTAQS-UHFFFAOYSA-N 0 3 402.539 2.185 20 0 HEADHN COc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1NC(=O)OC(C)(C)C ZINC000746122872 1078796918 /nfs/dbraw/zinc/79/69/18/1078796918.db2.gz AMDAMUUOPSWPOU-CQSZACIVSA-N 0 3 420.510 2.391 20 0 HEADHN COc1cc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)ccc1NC(=O)OC(C)(C)C ZINC000746131694 1078800861 /nfs/dbraw/zinc/80/08/61/1078800861.db2.gz RUWGUDPHYFKRCY-CQSZACIVSA-N 0 3 420.510 2.391 20 0 HEADHN CC(C)N1CCC[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC000746185705 1078812232 /nfs/dbraw/zinc/81/22/32/1078812232.db2.gz XSUDDWPRJQOPJJ-CQSZACIVSA-N 0 3 424.498 2.033 20 0 HEADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000770333932 1078815959 /nfs/dbraw/zinc/81/59/59/1078815959.db2.gz APTKYNOGZIUYBK-PXNSSMCTSA-N 0 3 403.527 2.131 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)CC1=O ZINC000746203382 1078817620 /nfs/dbraw/zinc/81/76/20/1078817620.db2.gz SUWKHGABVHQDFF-INIZCTEOSA-N 0 3 416.522 2.333 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NCC3N=NC(=S)N3C3CC3)CC2)c1 ZINC000746227052 1078821434 /nfs/dbraw/zinc/82/14/34/1078821434.db2.gz ZWENLCCFALPSHV-UHFFFAOYSA-N 0 3 400.552 2.039 20 0 HEADHN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000746228761 1078822271 /nfs/dbraw/zinc/82/22/71/1078822271.db2.gz GJJXCAISAZRTRU-SFHVURJKSA-N 0 3 402.539 2.324 20 0 HEADHN Cc1n[nH]cc1CN1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380100 1078834335 /nfs/dbraw/zinc/83/43/35/1078834335.db2.gz LKUCJDJJBVSSHB-AEFFLSMTSA-N 0 3 405.543 2.446 20 0 HEADHN CN(C[C@H]1CCCCO1)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746505254 1078848525 /nfs/dbraw/zinc/84/85/25/1078848525.db2.gz GAGQMMMQGGUYKQ-DENIHFKCSA-N 0 3 400.523 2.031 20 0 HEADHN C/C(=C/C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1OC(F)F ZINC000766341066 1078853103 /nfs/dbraw/zinc/85/31/03/1078853103.db2.gz RBECLVDEUCJYDB-NHRMXYMRSA-N 0 3 407.461 2.456 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000766341428 1078857716 /nfs/dbraw/zinc/85/77/16/1078857716.db2.gz AEILFQVZMIOCAY-OAHLLOKOSA-N 0 3 404.561 2.153 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000766346768 1078883150 /nfs/dbraw/zinc/88/31/50/1078883150.db2.gz SXTRSOBKOCOHJD-GOSISDBHSA-N 0 3 416.522 2.412 20 0 HEADHN CN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746412772 1078906757 /nfs/dbraw/zinc/90/67/57/1078906757.db2.gz ALFVIVRBLQZWPN-FQEVSTJZSA-N 0 3 405.506 2.468 20 0 HEADHN C[C@H](CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)CN1CCN(C)CC1 ZINC000766355742 1078910978 /nfs/dbraw/zinc/91/09/78/1078910978.db2.gz QFDLREBUXACOAP-CTNGQTDRSA-N 0 3 416.566 2.035 20 0 HEADHN COc1cccc(CN2CCC(NC(=O)C3=NN(CC(C)C)C(=O)CC3)CC2)c1 ZINC000766357641 1078913662 /nfs/dbraw/zinc/91/36/62/1078913662.db2.gz WBLABOKXILFGKI-UHFFFAOYSA-N 0 3 400.523 2.410 20 0 HEADHN O=C(NCCNS(=O)(=O)Cc1ccccc1)N1CCN(CC2CCCCC2)CC1 ZINC000065456125 1078915272 /nfs/dbraw/zinc/91/52/72/1078915272.db2.gz REDLVZIECCZXTQ-UHFFFAOYSA-N 0 3 422.595 2.014 20 0 HEADHN C[C@H]1Cc2ccc(Br)cc2CN1CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000766390979 1078946995 /nfs/dbraw/zinc/94/69/95/1078946995.db2.gz TUAJGNRHMACBEI-ZDUSSCGKSA-N 0 3 421.339 2.169 20 0 HEADHN O=C(NCC1(O)CCC2(CC1)OCCO2)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000746440103 1078951025 /nfs/dbraw/zinc/95/10/25/1078951025.db2.gz CBRULHSXQGVYSD-SFHVURJKSA-N 0 3 406.498 2.202 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccc([C@@H](C)O)cc3)c2)CC1 ZINC000770745779 1079002463 /nfs/dbraw/zinc/00/24/63/1079002463.db2.gz OZGSZTZDUSSKQR-QGZVFWFLSA-N 0 3 410.518 2.137 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000766456718 1079010029 /nfs/dbraw/zinc/01/00/29/1079010029.db2.gz AEJBLPYULPNOHT-NEPJUHHUSA-N 0 3 416.703 2.020 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(SC(F)F)c1 ZINC000770801574 1079023602 /nfs/dbraw/zinc/02/36/02/1079023602.db2.gz OWYPJRZFHTUQMV-CYBMUJFWSA-N 0 3 400.495 2.082 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)CC2)c1 ZINC000770859593 1079042301 /nfs/dbraw/zinc/04/23/01/1079042301.db2.gz VJGLBBJDKNYTGY-JTHBVZDNSA-N 0 3 411.546 2.108 20 0 HEADHN COCCO[C@H]1CCN([C@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1Cc1cnn(C)c1 ZINC001168870155 1079059375 /nfs/dbraw/zinc/05/93/75/1079059375.db2.gz ZVCFTEXHHRSLCC-LEAZDLGRSA-N 0 3 422.570 2.466 20 0 HEADHN C[C@@H]1C[C@H](N2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)CN1C(=O)OC(C)(C)C ZINC001168869813 1079059468 /nfs/dbraw/zinc/05/94/68/1079059468.db2.gz XWJNSVMERCNYQY-PZTGFMGMSA-N 0 3 410.559 2.279 20 0 HEADHN O=c1c2ccccc2ncn1CCc1noc([C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000770899628 1079069960 /nfs/dbraw/zinc/06/99/60/1079069960.db2.gz WYIALFQKEGDIHP-HSZRJFAPSA-N 0 3 417.469 2.116 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(CC(=O)OC(C)(C)C)CC3)CC2=O)cc1 ZINC001168943574 1079081892 /nfs/dbraw/zinc/08/18/92/1079081892.db2.gz XDSLTFWIXAVWRS-IBGZPJMESA-N 0 3 417.550 2.146 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(Cc4ccccc4)[C@H](CO)C3)CC2=O)cc1 ZINC001168927898 1079086740 /nfs/dbraw/zinc/08/67/40/1079086740.db2.gz VEGQEILNVQKMHW-GOTSBHOMSA-N 0 3 423.557 2.365 20 0 HEADHN CCS(=O)(=O)C1CCN(C(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000766556431 1079089931 /nfs/dbraw/zinc/08/99/31/1079089931.db2.gz XHSKVUPVUAMMPB-UHFFFAOYSA-N 0 3 409.621 2.425 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000771041375 1079099769 /nfs/dbraw/zinc/09/97/69/1079099769.db2.gz WMNZQOXIUSNMQN-NRFANRHFSA-N 0 3 415.534 2.405 20 0 HEADHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771041193 1079099923 /nfs/dbraw/zinc/09/99/23/1079099923.db2.gz UMRKJOWSKHQQEW-PMACEKPBSA-N 0 3 403.523 2.307 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280245 1079128706 /nfs/dbraw/zinc/12/87/06/1079128706.db2.gz NWDNMURDCLQKCF-XLIONFOSSA-N 0 3 407.942 2.022 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605323 1079155316 /nfs/dbraw/zinc/15/53/16/1079155316.db2.gz UMFIMEAOSSQEMJ-UXHICEINSA-N 0 3 416.566 2.477 20 0 HEADHN COC(=O)[C@](C)(N)Cc1cn(-c2ccc(N3CCN(C)CC3)cn2)c2ccccc12 ZINC001169112853 1079160466 /nfs/dbraw/zinc/16/04/66/1079160466.db2.gz MXOUKLNPUSCZQC-HSZRJFAPSA-N 0 3 407.518 2.210 20 0 HEADHN CC(C)OC(=O)NCc1ccc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000771155966 1079168735 /nfs/dbraw/zinc/16/87/35/1079168735.db2.gz AMICVUWELDLFDM-QGZVFWFLSA-N 0 3 405.543 2.469 20 0 HEADHN CN(C[C@](C)(O)CN1CC[C@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165876 1079174270 /nfs/dbraw/zinc/17/42/70/1079174270.db2.gz ZTRKCGFKLLOGKU-AOMKIAJQSA-N 0 3 418.538 2.137 20 0 HEADHN O=C(Nc1c[nH]nc1[C@H]1CCCN(C[C@@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187630 1079177020 /nfs/dbraw/zinc/17/70/20/1079177020.db2.gz JIDYBZHDVAHLFO-ROUUACIJSA-N 0 3 420.554 2.010 20 0 HEADHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000771140281 1079189773 /nfs/dbraw/zinc/18/97/73/1079189773.db2.gz KQVXTBSPTQULEK-CQSZACIVSA-N 0 3 406.483 2.398 20 0 HEADHN CCCN(CCNC(=O)C(=O)N1CCC[C@@H]1CN1CCCCC1)C(=O)OC(C)(C)C ZINC000804310496 1079204529 /nfs/dbraw/zinc/20/45/29/1079204529.db2.gz ZIHJDUNPJRSYAV-GOSISDBHSA-N 0 3 424.586 2.227 20 0 HEADHN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000804314011 1079221530 /nfs/dbraw/zinc/22/15/30/1079221530.db2.gz DXAWMVMGKOAVMY-WOJBJXKFSA-N 0 3 414.550 2.027 20 0 HEADHN O=C(OC1CCC(N2CC(N3CCN(c4ncccn4)CC3)C2)CC1)c1ccccc1 ZINC001169290653 1079221733 /nfs/dbraw/zinc/22/17/33/1079221733.db2.gz JXAIERXIJMUAIT-UHFFFAOYSA-N 0 3 421.545 2.451 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCCN1CCC[C@H]1C)C(C)C ZINC000771220526 1079234259 /nfs/dbraw/zinc/23/42/59/1079234259.db2.gz XQCVWERBGFSIQU-QGZVFWFLSA-N 0 3 402.539 2.486 20 0 HEADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@H](CC(F)(F)F)C(C)C)c(=O)[nH]c1=O ZINC001169384118 1079254650 /nfs/dbraw/zinc/25/46/50/1079254650.db2.gz XOPJKTQYKSVGJH-GFCCVEGCSA-N 0 3 421.464 2.251 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CO1 ZINC001169384192 1079255727 /nfs/dbraw/zinc/25/57/27/1079255727.db2.gz DVHHUNYOMDWCOT-XAPVIXHLSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CO1 ZINC001169392704 1079263273 /nfs/dbraw/zinc/26/32/73/1079263273.db2.gz BBHBGCUTJLQCHM-FCIYXJNOSA-N 0 3 411.539 2.164 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CO1 ZINC001169398006 1079270873 /nfs/dbraw/zinc/27/08/73/1079270873.db2.gz PKCBFPQROFMYMD-DZCCDHAISA-N 0 3 416.518 2.151 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CO1 ZINC001169399713 1079273313 /nfs/dbraw/zinc/27/33/13/1079273313.db2.gz WKQRHQCNCKRFPB-UXHICEINSA-N 0 3 400.519 2.394 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)CO1 ZINC001169395386 1079267341 /nfs/dbraw/zinc/26/73/41/1079267341.db2.gz IBQXURUXNPSXNP-TXPKVOOTSA-N 0 3 410.465 2.125 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC(NC(=O)Nc3ccc(OC)cc3)CC2)CO1 ZINC001169417430 1079277015 /nfs/dbraw/zinc/27/70/15/1079277015.db2.gz GOBRTMQALQCMGK-HKUYNNGSSA-N 0 3 405.495 2.392 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001169542260 1079327470 /nfs/dbraw/zinc/32/74/70/1079327470.db2.gz VNQUSLUUXVAAQJ-AYOQOUSVSA-N 0 3 401.507 2.500 20 0 HEADHN COc1ccc(-c2cnc3n2CCN(C)C32CCN([C@@H]3CCN(C(C)=O)C3)CC2)cc1 ZINC001169550273 1079329784 /nfs/dbraw/zinc/32/97/84/1079329784.db2.gz UFQUJPJFBPBBEN-HXUWFJFHSA-N 0 3 423.561 2.416 20 0 HEADHN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)[C@H](c1ccccc1)N(C)C ZINC000771509859 1079366002 /nfs/dbraw/zinc/36/60/02/1079366002.db2.gz QFWOGYBUCGODJD-AUUYWEPGSA-N 0 3 407.511 2.497 20 0 HEADHN CC(C)(C)OC(=O)N1CCC([C@@H](O)CN[C@]2(CO)CCOc3ccccc32)CC1 ZINC001169699202 1079379516 /nfs/dbraw/zinc/37/95/16/1079379516.db2.gz XMCCMBHETSODFR-AVRDEDQJSA-N 0 3 406.523 2.254 20 0 HEADHN COC(=O)CCN1CCC[C@@H](N2CC[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C1=O ZINC001169705428 1079380971 /nfs/dbraw/zinc/38/09/71/1079380971.db2.gz SQEKHUVFCGZLOO-VGOFRKELSA-N 0 3 423.554 2.264 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(F)nc2)C[C@H]1C(=O)N1CCSC1 ZINC001170028848 1079386814 /nfs/dbraw/zinc/38/68/14/1079386814.db2.gz FMJLXDIIXIIIQM-CABCVRRESA-N 0 3 410.515 2.221 20 0 HEADHN Cc1nc(-c2ccc(OS(=O)(=O)c3c(C)nn(CCN(C)C)c3C)cc2)no1 ZINC000771569987 1079388872 /nfs/dbraw/zinc/38/88/72/1079388872.db2.gz VFRMYKIUCNNMJG-UHFFFAOYSA-N 0 3 405.480 2.188 20 0 HEADHN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000771612368 1079396708 /nfs/dbraw/zinc/39/67/08/1079396708.db2.gz MCPKCFNHQLFWGI-INIZCTEOSA-N 0 3 424.469 2.451 20 0 HEADHN O=C(NC1CCC1)[C@H]1CN([C@H]2CCCN(C(=O)c3ccccc3)C2)C[C@H]2OCC[C@H]21 ZINC001169771415 1079405618 /nfs/dbraw/zinc/40/56/18/1079405618.db2.gz NJDSCJXVAANPFN-MYGLTJDJSA-N 0 3 411.546 2.297 20 0 HEADHN CC[C@@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C ZINC000771655955 1079426312 /nfs/dbraw/zinc/42/63/12/1079426312.db2.gz TVHHMDQXDSDENC-VGSWGCGISA-N 0 3 424.586 2.225 20 0 HEADHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000771658319 1079427990 /nfs/dbraw/zinc/42/79/90/1079427990.db2.gz QZXBXVLVWDMSNI-QGZVFWFLSA-N 0 3 416.595 2.075 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000771658835 1079430004 /nfs/dbraw/zinc/43/00/04/1079430004.db2.gz WMDRTMKOQDLZLO-QUWSGOTNSA-N 0 3 410.518 2.193 20 0 HEADHN CCCc1cc(CN)nn1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170030175 1079442104 /nfs/dbraw/zinc/44/21/04/1079442104.db2.gz MNEFCARXTDDMLY-SJORKVTESA-N 0 3 423.583 2.378 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)Cc3c(C)[nH]c4nn(C)c(=O)c-4c3C)c2)CC1 ZINC000771638077 1079445152 /nfs/dbraw/zinc/44/51/52/1079445152.db2.gz YRVAFMVVRKNLAY-UHFFFAOYSA-N 0 3 422.533 2.202 20 0 HEADHN CC(C)(C)[C@H]1CCc2c(sc(=O)n2CN2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000738160569 1075970792 /nfs/dbraw/zinc/97/07/92/1075970792.db2.gz JYRJVECPDSFMDD-KRWDZBQOSA-N 0 3 420.623 2.258 20 0 HEADHN COc1ccccc1-c1nn(CN2CCN(C(=O)CN3CCCC3)CC2)c(=S)o1 ZINC000738161721 1075970905 /nfs/dbraw/zinc/97/09/05/1075970905.db2.gz SZYCSQHUIYCCAF-UHFFFAOYSA-N 0 3 417.535 2.079 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000738285260 1075979216 /nfs/dbraw/zinc/97/92/16/1075979216.db2.gz IYLGRYGVGWKVDV-APWZRJJASA-N 0 3 423.355 2.446 20 0 HEADHN CCN(C(=O)NC[C@@H]1COC2(CCOCC2)O1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000771778416 1079499150 /nfs/dbraw/zinc/49/91/50/1079499150.db2.gz PQPIYSAELBFSPI-VQTJNVASSA-N 0 3 403.523 2.215 20 0 HEADHN COCCN1CC[C@H](NC(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CCCCC2)C1 ZINC000739006023 1076030328 /nfs/dbraw/zinc/03/03/28/1076030328.db2.gz OTCFVKMLSKVWCP-ZWKOTPCHSA-N 0 3 412.575 2.480 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000739116752 1076045562 /nfs/dbraw/zinc/04/55/62/1076045562.db2.gz AVOHRRWGEAPHIP-SFHVURJKSA-N 0 3 414.550 2.327 20 0 HEADHN CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000739119800 1076046734 /nfs/dbraw/zinc/04/67/34/1076046734.db2.gz UWFZPUXKBVKOFC-UHFFFAOYSA-N 0 3 404.555 2.215 20 0 HEADHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@@H]1C ZINC000766250684 1076150788 /nfs/dbraw/zinc/15/07/88/1076150788.db2.gz AKLFUIGKWSHBRJ-DLBZAZTESA-N 0 3 404.530 2.091 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2)CC1 ZINC000740431507 1076168289 /nfs/dbraw/zinc/16/82/89/1076168289.db2.gz LCXKSQZCFRKUDW-UHFFFAOYSA-N 0 3 423.443 2.487 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F)CN1CCN(C)CC1 ZINC000740493160 1076172142 /nfs/dbraw/zinc/17/21/42/1076172142.db2.gz AQBMBTXMJFDCKB-KRWDZBQOSA-N 0 3 412.509 2.431 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000740804120 1076244036 /nfs/dbraw/zinc/24/40/36/1076244036.db2.gz ZDCGQLUDHLKMFU-GCJKJVERSA-N 0 3 419.529 2.230 20 0 HEADHN C[C@H]1NC(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)=NN(c2ccccc2)C1=O ZINC000740847055 1076266618 /nfs/dbraw/zinc/26/66/18/1076266618.db2.gz MDXHVNSRQBTWML-RTBURBONSA-N 0 3 419.529 2.448 20 0 HEADHN CCCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000740881372 1076280553 /nfs/dbraw/zinc/28/05/53/1076280553.db2.gz AOXNTNFDNBBTBR-WQJMPBHHSA-N 0 3 420.554 2.044 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000741329609 1076478573 /nfs/dbraw/zinc/47/85/73/1076478573.db2.gz AZRKSBFZZSZLDB-UHFFFAOYSA-N 0 3 407.470 2.427 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000741693444 1076588469 /nfs/dbraw/zinc/58/84/69/1076588469.db2.gz QYXKANYPRCOAEK-NQIIRXRSSA-N 0 3 400.567 2.305 20 0 HEADHN CN(C(=O)c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000741713355 1076589270 /nfs/dbraw/zinc/58/92/70/1076589270.db2.gz ANBDHOGALZDMGS-GOSISDBHSA-N 0 3 414.531 2.217 20 0 HEADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)[C@@H]1C ZINC000741791154 1076629431 /nfs/dbraw/zinc/62/94/31/1076629431.db2.gz QFOIMJFWFKKZHA-UEOVIOECSA-N 0 3 405.564 2.252 20 0 HEADHN O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742118103 1076748253 /nfs/dbraw/zinc/74/82/53/1076748253.db2.gz KAIWSYJFKWODOE-HNNXBMFYSA-N 0 3 409.527 2.214 20 0 HEADHN CN1CCC[C@@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293461 1076819888 /nfs/dbraw/zinc/81/98/88/1076819888.db2.gz IDDNMTLYGVIJQO-RBUKOAKNSA-N 0 3 409.552 2.049 20 0 HEADHN Cc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)N(C)C)cc1 ZINC000742396952 1076834288 /nfs/dbraw/zinc/83/42/88/1076834288.db2.gz JEAIFHBDWMKRFC-RDPSFJRHSA-N 0 3 422.529 2.490 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)N(C)C)cc1 ZINC000742402176 1076837886 /nfs/dbraw/zinc/83/78/86/1076837886.db2.gz STSZYSFPUQOCNK-LJQANCHMSA-N 0 3 407.511 2.417 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)COc1ccc(C=O)cc1Br ZINC000742643276 1076860842 /nfs/dbraw/zinc/86/08/42/1076860842.db2.gz XRFXCRVUUJKGJZ-OAHLLOKOSA-N 0 3 413.312 2.210 20 0 HEADHN C[C@H]1NC(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000742964002 1076911143 /nfs/dbraw/zinc/91/11/43/1076911143.db2.gz VMWMDOODJMTZMR-RBUKOAKNSA-N 0 3 419.529 2.448 20 0 HEADHN COc1ccc(NC(=O)N(CCc2ccccc2)CCN(C)C)cc1-n1cnnn1 ZINC000743192941 1077002850 /nfs/dbraw/zinc/00/28/50/1077002850.db2.gz GOORUQXXFSJNAE-UHFFFAOYSA-N 0 3 409.494 2.309 20 0 HEADHN COc1ccc(NC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1N1CCOC1=O ZINC000743236691 1077011133 /nfs/dbraw/zinc/01/11/33/1077011133.db2.gz PYJUZTMWSNBJJF-INIZCTEOSA-N 0 3 406.483 2.226 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC(CC(N)=O)CC1 ZINC000743263804 1077017372 /nfs/dbraw/zinc/01/73/72/1077017372.db2.gz HDTJYONFDMOHMT-OALUTQOASA-N 0 3 405.539 2.071 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C)N1CCC(C)CC1 ZINC000743414822 1077049625 /nfs/dbraw/zinc/04/96/25/1077049625.db2.gz XPKHEWOSCZZEKS-CQSZACIVSA-N 0 3 408.930 2.217 20 0 HEADHN CN(C)c1ccc(N2CCC(NC(=O)NCCCCN3CCN(C)CC3)CC2)cc1 ZINC000743535321 1077064970 /nfs/dbraw/zinc/06/49/70/1077064970.db2.gz FSCYTKZMUFZYRY-UHFFFAOYSA-N 0 3 416.614 2.048 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@](C)(O)c2ccco2)[C@H](c2ccccc2)C1 ZINC000743548264 1077066832 /nfs/dbraw/zinc/06/68/32/1077066832.db2.gz JNAZUMONGOHYKL-UGKGYDQZSA-N 0 3 400.523 2.165 20 0 HEADHN CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000743594014 1077077504 /nfs/dbraw/zinc/07/75/04/1077077504.db2.gz LFSGBEINTIDSNL-UXHICEINSA-N 0 3 401.555 2.193 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)c2c(c1)OCCO2 ZINC000743766264 1077119413 /nfs/dbraw/zinc/11/94/13/1077119413.db2.gz VYYNHHVWJPSIRC-OAQYLSRUSA-N 0 3 402.878 2.478 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000743855326 1077143723 /nfs/dbraw/zinc/14/37/23/1077143723.db2.gz LQKJRRPUZCRNBE-AZUAARDMSA-N 0 3 403.523 2.214 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)cccc1N1CCOC1=O ZINC000743876347 1077158974 /nfs/dbraw/zinc/15/89/74/1077158974.db2.gz DDTRVVXBDUFVKC-SFHVURJKSA-N 0 3 424.501 2.179 20 0 HEADHN Cc1nccn1-c1ccc(NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cn1 ZINC000743972328 1077275897 /nfs/dbraw/zinc/27/58/97/1077275897.db2.gz MPMCFQNGUSEFNI-FQEVSTJZSA-N 0 3 418.501 2.247 20 0 HEADHN CSC(C)(C)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000744000568 1077287798 /nfs/dbraw/zinc/28/77/98/1077287798.db2.gz WTGZMXCZEPEWFL-KRWDZBQOSA-N 0 3 420.579 2.049 20 0 HEADHN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743978660 1077291773 /nfs/dbraw/zinc/29/17/73/1077291773.db2.gz MOECPBUBHUDSFU-WMZOPIPTSA-N 0 3 414.550 2.406 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000743978339 1077291793 /nfs/dbraw/zinc/29/17/93/1077291793.db2.gz GHWVVQXHCXYHOC-SJORKVTESA-N 0 3 400.523 2.240 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000743979639 1077292293 /nfs/dbraw/zinc/29/22/93/1077292293.db2.gz UZWVSGZBLNCWSJ-HOCLYGCPSA-N 0 3 409.914 2.437 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000743979577 1077292634 /nfs/dbraw/zinc/29/26/34/1077292634.db2.gz UTXYIASIXZTZHT-JTQLQIEISA-N 0 3 407.364 2.428 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000743980680 1077293334 /nfs/dbraw/zinc/29/33/34/1077293334.db2.gz GSVOYDUZYUVRSJ-KRWDZBQOSA-N 0 3 408.502 2.156 20 0 HEADHN CCOC(=O)Nc1ccc2c(CN3CCN([C@@H](CC)CO)CC3)cc(=O)oc2c1 ZINC000744419923 1077378952 /nfs/dbraw/zinc/37/89/52/1077378952.db2.gz URWALTGTMGSQCH-KRWDZBQOSA-N 0 3 403.479 2.250 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)CC1 ZINC000744645993 1077519794 /nfs/dbraw/zinc/51/97/94/1077519794.db2.gz BSHWSLYBDPKULL-LJQANCHMSA-N 0 3 416.440 2.276 20 0 HEADHN CCN1CCCC[C@@H]1C(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000745087276 1077724909 /nfs/dbraw/zinc/72/49/09/1077724909.db2.gz QIYYANQXRQRJQB-OAQYLSRUSA-N 0 3 401.551 2.447 20 0 HEADHN COC(=O)CCCc1nc(COC(=O)C2CCN(c3cccc(Cl)c3)C2=O)no1 ZINC000745428880 1077823794 /nfs/dbraw/zinc/82/37/94/1077823794.db2.gz ACVTVIRQFCUVJG-AWEZNQCLSA-N 0 3 421.837 2.315 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@H]1C[C@H](O)c1ccccc1)c1ccccc1 ZINC000771762543 1079515405 /nfs/dbraw/zinc/51/54/05/1079515405.db2.gz MKVJBVMBFPVEDW-ZLNRFVROSA-N 0 3 411.546 2.230 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@H]1C[C@@H](O)c1cccs1)c1ccccc1 ZINC000771761864 1079516163 /nfs/dbraw/zinc/51/61/63/1079516163.db2.gz DZPSSMRQSQLETH-VAMGGRTRSA-N 0 3 417.575 2.292 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCCOCC1CCOCC1 ZINC000740898238 1079580416 /nfs/dbraw/zinc/58/04/16/1079580416.db2.gz JEXUVYBNURLTLT-MRXNPFEDSA-N 0 3 419.975 2.127 20 0 HEADHN C[C@H](CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001156993786 1079630749 /nfs/dbraw/zinc/63/07/49/1079630749.db2.gz WTMUAWKQALLENU-YRXWBPOGSA-N 0 3 409.571 2.327 20 0 HEADHN COc1cccc(CN2CCC(NC(=O)CCCNC(=O)c3cccnc3)CC2)c1 ZINC000772059193 1079679672 /nfs/dbraw/zinc/67/96/72/1079679672.db2.gz VEXFCGJLICIHDH-UHFFFAOYSA-N 0 3 410.518 2.381 20 0 HEADHN CC[C@H](c1ccccc1)n1cc(O)n(-c2ccc(Cc3[nH]c(O)nc3O)cc2)c1=O ZINC000772083788 1079692164 /nfs/dbraw/zinc/69/21/64/1079692164.db2.gz DROFPQYNYDYHKG-QZTJIDSGSA-N 0 3 406.442 2.357 20 0 HEADHN Cc1nc2c(cnn2-c2ccccc2)c(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)n1 ZINC000767262917 1079784180 /nfs/dbraw/zinc/78/41/80/1079784180.db2.gz QSEILUYEQOWHQI-LJQANCHMSA-N 0 3 405.506 2.042 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1cc(F)ccc1F ZINC000767361381 1079829176 /nfs/dbraw/zinc/82/91/76/1079829176.db2.gz OKKIRFAKZFXKLB-GHTZIAJQSA-N 0 3 401.413 2.195 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1c(F)cccc1F ZINC000767362287 1079829362 /nfs/dbraw/zinc/82/93/62/1079829362.db2.gz QZXUFJXQKPSLGY-LAUBAEHRSA-N 0 3 401.413 2.195 20 0 HEADHN C[C@@H]1C[C@H](NC(=O)NCCCCN2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000772343120 1079832448 /nfs/dbraw/zinc/83/24/48/1079832448.db2.gz GUZCHNSXTAHGPV-QZTJIDSGSA-N 0 3 411.591 2.101 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCO[C@@H](C(C)C)C3)cc2)CC1 ZINC000772349451 1079838749 /nfs/dbraw/zinc/83/87/49/1079838749.db2.gz WFWYJWLMTPQESO-AZUAARDMSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000767463303 1079866769 /nfs/dbraw/zinc/86/67/69/1079866769.db2.gz UXCGFGFQQIRSCZ-UTKZUKDTSA-N 0 3 413.566 2.028 20 0 HEADHN CN1CCN(CCCNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000767461126 1079884551 /nfs/dbraw/zinc/88/45/51/1079884551.db2.gz GBFUMLUBGGYMDK-JOCHJYFZSA-N 0 3 404.555 2.180 20 0 HEADHN Cn1nnnc1CCN[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000772464876 1079890193 /nfs/dbraw/zinc/89/01/93/1079890193.db2.gz GICMFNDUOJDKEG-IERDGZPVSA-N 0 3 414.510 2.246 20 0 HEADHN COC[C@@H]1CCCCN1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170043651 1079890221 /nfs/dbraw/zinc/89/02/21/1079890221.db2.gz OCZCQCJTORELGT-ULQDDVLXSA-N 0 3 413.584 2.398 20 0 HEADHN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000772475170 1079894176 /nfs/dbraw/zinc/89/41/76/1079894176.db2.gz ASHLRYXCLGVXCJ-DLBZAZTESA-N 0 3 413.584 2.099 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2ccc(OC)c(Cl)c2)CC1=O ZINC000785642093 1080089021 /nfs/dbraw/zinc/08/90/21/1080089021.db2.gz NJKQBQMRAQNZMV-CVEARBPZSA-N 0 3 422.909 2.407 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)CC1=O ZINC000785643694 1080092083 /nfs/dbraw/zinc/09/20/83/1080092083.db2.gz ANNDXNXPZPONEN-IIAWOOMASA-N 0 3 408.445 2.412 20 0 HEADHN O=C(COC(=O)c1cccc(-c2nnc[nH]2)c1)N1CCN(Cc2ccsc2)CC1 ZINC000767807423 1080093403 /nfs/dbraw/zinc/09/34/03/1080093403.db2.gz YHZXYTTZLNDNAY-UHFFFAOYSA-N 0 3 411.487 2.034 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](Cc2ccccc2F)C(C)=O)CC1=O ZINC000785656991 1080177448 /nfs/dbraw/zinc/17/74/48/1080177448.db2.gz WUSPCOBOIKCPEH-NSHGMRRFSA-N 0 3 404.482 2.202 20 0 HEADHN CCOC(=O)C1C(COC(=O)CN2[C@H](C)CC[C@@H]2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000785736331 1080208983 /nfs/dbraw/zinc/20/89/83/1080208983.db2.gz XYGHDNTUSMOSEF-QEEYODRMSA-N 0 3 415.490 2.274 20 0 HEADHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000767905748 1080222826 /nfs/dbraw/zinc/22/28/26/1080222826.db2.gz IGHCXGBQAGFXAU-VPKVUBIPSA-N 0 3 416.522 2.394 20 0 HEADHN CCC[C@H](C)[C@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000767907681 1080223510 /nfs/dbraw/zinc/22/35/10/1080223510.db2.gz RHIPRKZRHXIRHK-QXATTWAWSA-N 0 3 416.522 2.394 20 0 HEADHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@@]3(O)CCc4ccccc4C3)c2)CC1 ZINC000785881560 1080274204 /nfs/dbraw/zinc/27/42/04/1080274204.db2.gz MHITVFLJVRWTKQ-XMMPIXPASA-N 0 3 407.514 2.242 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1)N1CCCCC1 ZINC000768037691 1080278820 /nfs/dbraw/zinc/27/88/20/1080278820.db2.gz KNYAQSDFBYDOMV-JTQLQIEISA-N 0 3 403.708 2.427 20 0 HEADHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768178639 1080388552 /nfs/dbraw/zinc/38/85/52/1080388552.db2.gz VMQVKNZQEMHPDC-XWDNEUNKSA-N 0 3 407.555 2.247 20 0 HEADHN CN1CCN(CCCNC(=O)N[C@H]2CCCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000768201941 1080391315 /nfs/dbraw/zinc/39/13/15/1080391315.db2.gz MHPIVDVNDSQENJ-LEWJYISDSA-N 0 3 416.566 2.350 20 0 HEADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000768297009 1080468068 /nfs/dbraw/zinc/46/80/68/1080468068.db2.gz VZLYRPHNQNVRJG-LURJTMIESA-N 0 3 410.372 2.050 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)N1CCCCC1 ZINC000786197186 1080468256 /nfs/dbraw/zinc/46/82/56/1080468256.db2.gz MNRJKJBDCFSTTE-MRXNPFEDSA-N 0 3 412.490 2.139 20 0 HEADHN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C(=O)NCCO)CC1 ZINC000768319631 1080507145 /nfs/dbraw/zinc/50/71/45/1080507145.db2.gz UEZZJWRGLFSJCX-UHFFFAOYSA-N 0 3 421.339 2.264 20 0 HEADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768388180 1080537216 /nfs/dbraw/zinc/53/72/16/1080537216.db2.gz OLUPWMIIDBMFKB-LJQANCHMSA-N 0 3 403.523 2.128 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1)N1CCCCC1 ZINC000786306885 1080547446 /nfs/dbraw/zinc/54/74/46/1080547446.db2.gz DXLXDRIBTJTJKF-CQSZACIVSA-N 0 3 401.429 2.235 20 0 HEADHN Cc1cccc(-c2nnc(SCC(=O)NC[C@H](c3ccccc3)N(C)C)n2N)c1 ZINC000768442762 1080562803 /nfs/dbraw/zinc/56/28/03/1080562803.db2.gz OJRKXXGVLJDQRV-GOSISDBHSA-N 0 3 410.547 2.479 20 0 HEADHN CO[C@@H]1CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001170056992 1080570910 /nfs/dbraw/zinc/57/09/10/1080570910.db2.gz ULNWCTZTAPWRQD-TWMKSMIVSA-N 0 3 413.584 2.397 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)OC)cc2)CC1 ZINC000786444230 1080605533 /nfs/dbraw/zinc/60/55/33/1080605533.db2.gz KWSAYRQLMMZQGW-RBDMOPTHSA-N 0 3 414.550 2.041 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3n[nH]c4ccccc34)cc2)CC1 ZINC000746584926 1080640026 /nfs/dbraw/zinc/64/00/26/1080640026.db2.gz CMNQCZMIJNEOSY-UHFFFAOYSA-N 0 3 421.501 2.429 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3[nH]nc4ccccc43)cc2)CC1 ZINC000746584926 1080640032 /nfs/dbraw/zinc/64/00/32/1080640032.db2.gz CMNQCZMIJNEOSY-UHFFFAOYSA-N 0 3 421.501 2.429 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cnn(-c2ccccc2)c1 ZINC000768716484 1080732037 /nfs/dbraw/zinc/73/20/37/1080732037.db2.gz WXMKFMFMKUSFBC-UHFFFAOYSA-N 0 3 405.502 2.444 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 ZINC000786719298 1080771099 /nfs/dbraw/zinc/77/10/99/1080771099.db2.gz OOBUCEHNRWYGKV-ROUUACIJSA-N 0 3 419.551 2.193 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786774895 1080816514 /nfs/dbraw/zinc/81/65/14/1080816514.db2.gz BCKIINZPUKNOPA-WBVHZDCISA-N 0 3 411.543 2.023 20 0 HEADHN C[C@@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000786826128 1080826699 /nfs/dbraw/zinc/82/66/99/1080826699.db2.gz QDBUFGUHFOGKHA-YLJYHZDGSA-N 0 3 424.497 2.323 20 0 HEADHN C[C@@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786800908 1080834343 /nfs/dbraw/zinc/83/43/43/1080834343.db2.gz PUBZSVLJBSSJDW-OAHLLOKOSA-N 0 3 402.520 2.317 20 0 HEADHN C[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(N2CCNC2=O)cc1 ZINC000786803478 1080834972 /nfs/dbraw/zinc/83/49/72/1080834972.db2.gz FSWKDXSWCPNSKM-CQSZACIVSA-N 0 3 422.938 2.499 20 0 HEADHN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786803426 1080835053 /nfs/dbraw/zinc/83/50/53/1080835053.db2.gz DPRFJSAJVMXIHD-MRXNPFEDSA-N 0 3 402.520 2.154 20 0 HEADHN CN(C)S(=O)(=O)c1ccc(COC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786822060 1080845390 /nfs/dbraw/zinc/84/53/90/1080845390.db2.gz SJUQQNSWNGRPJN-UHFFFAOYSA-N 0 3 402.516 2.429 20 0 HEADHN Cn1cc(-c2cc(CON=C(N)c3ccccc3CN3CCC(O)CC3)on2)cn1 ZINC000768921612 1080858599 /nfs/dbraw/zinc/85/85/99/1080858599.db2.gz AZXOGDZJYKONHN-UHFFFAOYSA-N 0 3 410.478 2.079 20 0 HEADHN C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786911533 1080880415 /nfs/dbraw/zinc/88/04/15/1080880415.db2.gz ALNVLUDWXMVRAI-PGRDOPGGSA-N 0 3 422.529 2.337 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000769097552 1080907140 /nfs/dbraw/zinc/90/71/40/1080907140.db2.gz JJZIXITYICKTSW-BPQIPLTHSA-N 0 3 415.456 2.019 20 0 HEADHN Cc1nccn1CCCN(C)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746627983 1080957254 /nfs/dbraw/zinc/95/72/54/1080957254.db2.gz RMYWVQZGJKHIRD-QHCPKHFHSA-N 0 3 424.549 2.058 20 0 HEADHN CN(CC(=O)OCC1CCN(Cc2ccco2)CC1)S(=O)(=O)c1ccccc1 ZINC000772692932 1080962084 /nfs/dbraw/zinc/96/20/84/1080962084.db2.gz XVEQHMIBDLQIGZ-UHFFFAOYSA-N 0 3 406.504 2.356 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2cnn3ccccc23)C1 ZINC000769192680 1080966390 /nfs/dbraw/zinc/96/63/90/1080966390.db2.gz QUXBRLXBXCWNNN-MRXNPFEDSA-N 0 3 401.511 2.187 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2cccc3c2OCO3)C1 ZINC000769192801 1080968039 /nfs/dbraw/zinc/96/80/39/1080968039.db2.gz PGXGDRYWWQSASR-INIZCTEOSA-N 0 3 405.495 2.268 20 0 HEADHN CCCCCCNC(=O)[C@@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769202161 1081000704 /nfs/dbraw/zinc/00/07/04/1081000704.db2.gz QSLPCRHHQAZPEP-HXUWFJFHSA-N 0 3 402.587 2.137 20 0 HEADHN CC1(C)CC(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)CC(C)(C)N1O ZINC001170002828 1081002188 /nfs/dbraw/zinc/00/21/88/1081002188.db2.gz VRHNNMLNHBFVHP-QHCPKHFHSA-N 0 3 418.582 2.396 20 0 HEADHN CC(C)(C)OC(=O)c1ccccc1OCCN1CCC(O)(CN2CCOCC2)CC1 ZINC000769216075 1081005314 /nfs/dbraw/zinc/00/53/14/1081005314.db2.gz FZNUSXOSPSBIFU-UHFFFAOYSA-N 0 3 420.550 2.180 20 0 HEADHN NC(=O)c1c2c(sc1NC(=O)CCN1CCOC3(CCOCC3)CC1)CCCC2 ZINC000769231132 1081010395 /nfs/dbraw/zinc/01/03/95/1081010395.db2.gz YHYAIDNUSMPNBG-UHFFFAOYSA-N 0 3 421.563 2.326 20 0 HEADHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc2c(c1)CC(=O)N2C ZINC000787175198 1081045367 /nfs/dbraw/zinc/04/53/67/1081045367.db2.gz VZFGMUJBHJAUGP-CVEARBPZSA-N 0 3 400.523 2.161 20 0 HEADHN O=C1C[C@H](c2cc(F)c(F)c(F)c2)CN1CN1CCN(CC2CCOCC2)CC1 ZINC000787219722 1081052996 /nfs/dbraw/zinc/05/29/96/1081052996.db2.gz KBQPMLBWDCWVAN-KRWDZBQOSA-N 0 3 411.468 2.422 20 0 HEADHN O=C1C[C@@H](c2cc(F)c(F)c(F)c2)CN1CN1CCN(CC2CCOCC2)CC1 ZINC000787219724 1081053111 /nfs/dbraw/zinc/05/31/11/1081053111.db2.gz KBQPMLBWDCWVAN-QGZVFWFLSA-N 0 3 411.468 2.422 20 0 HEADHN CC(C)[C@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000787243832 1081067390 /nfs/dbraw/zinc/06/73/90/1081067390.db2.gz RABSXYRQIKCUTC-AEFFLSMTSA-N 0 3 412.575 2.430 20 0 HEADHN C[C@H](NC1(CNS(=O)(=O)c2cnc(Cl)n2C)CCOCC1)c1ccccc1 ZINC000769421460 1081068435 /nfs/dbraw/zinc/06/84/35/1081068435.db2.gz UIVIJDWBIONHKD-AWEZNQCLSA-N 0 3 412.943 2.252 20 0 HEADHN COCCN(CCC(=O)OC)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000769424476 1081069561 /nfs/dbraw/zinc/06/95/61/1081069561.db2.gz DKIVXIGXKXAIAB-UHFFFAOYSA-N 0 3 403.479 2.260 20 0 HEADHN CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000769450477 1081084089 /nfs/dbraw/zinc/08/40/89/1081084089.db2.gz DHTMRFOYJOFUDW-WFASDCNBSA-N 0 3 405.442 2.292 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1ccnc(OCc2ccccc2)c1)N1CCCCC1 ZINC000787280740 1081089316 /nfs/dbraw/zinc/08/93/16/1081089316.db2.gz QWXDZYZYUBZRJL-GOSISDBHSA-N 0 3 410.518 2.267 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(C4CCOCC4)C[C@H]3C)C2=O)cc1 ZINC000787268229 1081101964 /nfs/dbraw/zinc/10/19/64/1081101964.db2.gz WLXDFUGGGMMJCW-NQIIRXRSSA-N 0 3 414.550 2.385 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(CCOCC(F)F)C1 ZINC000787272534 1081103534 /nfs/dbraw/zinc/10/35/34/1081103534.db2.gz UCDBTIORNIRBLI-HZPDHXFCSA-N 0 3 419.513 2.496 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(CCOCC(F)F)C1 ZINC000787272530 1081103544 /nfs/dbraw/zinc/10/35/44/1081103544.db2.gz UCDBTIORNIRBLI-HOTGVXAUSA-N 0 3 419.513 2.496 20 0 HEADHN CCN(CC)CCNS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000769615796 1081173933 /nfs/dbraw/zinc/17/39/33/1081173933.db2.gz CZKPTMFYZYLYIX-UHFFFAOYSA-N 0 3 411.568 2.296 20 0 HEADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001164636693 719137930 /nfs/dbraw/zinc/13/79/30/719137930.db2.gz ZUWWABTYEMAAQD-OAHLLOKOSA-N 0 3 412.824 2.302 20 0 HEADHN CCOC(=O)c1c(C)cc(Cl)nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164685288 719710468 /nfs/dbraw/zinc/71/04/68/719710468.db2.gz ULTWHNMTDVNJOK-UHFFFAOYSA-N 0 3 408.930 2.401 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)N3CCC[C@H](C)C3)cn1)CC2 ZINC001164689873 719739751 /nfs/dbraw/zinc/73/97/51/719739751.db2.gz MXCJZOWVVRLZAN-SFHVURJKSA-N 0 3 413.566 2.135 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ncc(C(N)=S)c3ccsc31)CC2 ZINC001164692000 719757688 /nfs/dbraw/zinc/75/76/88/719757688.db2.gz QRICETOMJMGUKV-UHFFFAOYSA-N 0 3 403.577 2.111 20 0 HEADHN CCOC(=O)N1CCc2nnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164727676 720441496 /nfs/dbraw/zinc/44/14/96/720441496.db2.gz DWOKODQGAPEGPI-PMACEKPBSA-N 0 3 408.506 2.239 20 0 HEADHN CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164727679 720442862 /nfs/dbraw/zinc/44/28/62/720442862.db2.gz DWOKODQGAPEGPI-UXHICEINSA-N 0 3 408.506 2.239 20 0 HEADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738240 720608721 /nfs/dbraw/zinc/60/87/21/720608721.db2.gz BDBYEAVOUUDPKY-GHMZBOCLSA-N 0 3 406.277 2.397 20 0 HEADHN COCc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccccc2)n1 ZINC001164740886 720625164 /nfs/dbraw/zinc/62/51/64/720625164.db2.gz JPBHZYPKAOTGTH-UXHICEINSA-N 0 3 418.501 2.422 20 0 HEADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745743 720628028 /nfs/dbraw/zinc/62/80/28/720628028.db2.gz WHBGMSRMHYRQLG-RTBURBONSA-N 0 3 422.533 2.276 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164743176 720709639 /nfs/dbraw/zinc/70/96/39/720709639.db2.gz WQKMXSZRBNUEMY-RYUDHWBXSA-N 0 3 403.899 2.180 20 0 HEADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164740087 720710469 /nfs/dbraw/zinc/71/04/69/720710469.db2.gz PSAAZHLOQVZLTR-KGLIPLIRSA-N 0 3 412.881 2.424 20 0 HEADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739036 720737591 /nfs/dbraw/zinc/73/75/91/720737591.db2.gz HXCQBLXJHSFGLT-UONOGXRCSA-N 0 3 414.901 2.193 20 0 HEADHN CCOC(=O)c1nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ccc1Cl ZINC001164745362 720741105 /nfs/dbraw/zinc/74/11/05/720741105.db2.gz VHTVUVWROXGSKD-UONOGXRCSA-N 0 3 403.870 2.044 20 0 HEADHN COC(=O)c1ccc2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncc2c1 ZINC001164739913 720751407 /nfs/dbraw/zinc/75/14/07/720751407.db2.gz JSPTUAVEBHAXCV-RTBURBONSA-N 0 3 405.458 2.153 20 0 HEADHN c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCCC3)nc2c1 ZINC001164745870 720753469 /nfs/dbraw/zinc/75/34/69/720753469.db2.gz WBTTWPRRFLAEFD-MSOLQXFVSA-N 0 3 417.517 2.362 20 0 HEADHN COc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740947 720758340 /nfs/dbraw/zinc/75/83/40/720758340.db2.gz LLCYHHXWMFFIIQ-IEBWSBKVSA-N 0 3 404.474 2.284 20 0 HEADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)C1 ZINC001164744178 720758567 /nfs/dbraw/zinc/75/85/67/720758567.db2.gz RJPCPALNXHMETL-YZGWKJHDSA-N 0 3 422.533 2.086 20 0 HEADHN COc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740949 720759062 /nfs/dbraw/zinc/75/90/62/720759062.db2.gz LLCYHHXWMFFIIQ-PKOBYXMFSA-N 0 3 404.474 2.284 20 0 HEADHN COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]2C1 ZINC001164860913 720869432 /nfs/dbraw/zinc/86/94/32/720869432.db2.gz XHMGDARGILAERZ-RYUDHWBXSA-N 0 3 408.902 2.137 20 0 HEADHN COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@H]2C1 ZINC001164860913 720869435 /nfs/dbraw/zinc/86/94/35/720869435.db2.gz XHMGDARGILAERZ-RYUDHWBXSA-N 0 3 408.902 2.137 20 0 HEADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868011 721045931 /nfs/dbraw/zinc/04/59/31/721045931.db2.gz MAAYNIVIAVULMQ-CVEARBPZSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869111 721052028 /nfs/dbraw/zinc/05/20/28/721052028.db2.gz RPXDSNRMWIEYQB-DLBZAZTESA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164866580 721052641 /nfs/dbraw/zinc/05/26/41/721052641.db2.gz FRXQLHQWXIOFIF-HZPDHXFCSA-N 0 3 402.882 2.396 20 0 HEADHN CCOC(=O)c1nnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865938 721080963 /nfs/dbraw/zinc/08/09/63/721080963.db2.gz QCLNLEXYXUVHSL-CVEARBPZSA-N 0 3 417.897 2.181 20 0 HEADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865713 721099981 /nfs/dbraw/zinc/09/99/81/721099981.db2.gz OUQXCTFSIKLSBN-ZWKOTPCHSA-N 0 3 412.490 2.142 20 0 HEADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864336 721106137 /nfs/dbraw/zinc/10/61/37/721106137.db2.gz FLDRZSIIJLUAHL-UXHICEINSA-N 0 3 418.501 2.422 20 0 HEADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865128 721119795 /nfs/dbraw/zinc/11/97/95/721119795.db2.gz INOSHPPSDDGGIP-VQTJNVASSA-N 0 3 409.534 2.485 20 0 HEADHN COC(=O)c1cc2c(OC)[nH]c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)cc-2n1 ZINC001164769874 721125876 /nfs/dbraw/zinc/12/58/76/721125876.db2.gz PSDUMQYZGZQVSV-HZPDHXFCSA-N 0 3 424.505 2.050 20 0 HEADHN CCOC(=O)c1cnc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)cc1OCC ZINC001164766399 721127008 /nfs/dbraw/zinc/12/70/08/721127008.db2.gz KZOJDVFPGCPXSG-ZWKOTPCHSA-N 0 3 413.522 2.349 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)[nH]c-2n1 ZINC001164764035 721167705 /nfs/dbraw/zinc/16/77/05/721167705.db2.gz GCKFFUAKZPLBBE-QZTJIDSGSA-N 0 3 408.506 2.431 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nc2[nH]1 ZINC001164764035 721167718 /nfs/dbraw/zinc/16/77/18/721167718.db2.gz GCKFFUAKZPLBBE-QZTJIDSGSA-N 0 3 408.506 2.431 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889446 721400017 /nfs/dbraw/zinc/40/00/17/721400017.db2.gz QNWKYPOWFVUXED-QRWLVFNGSA-N 0 3 419.961 2.080 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)c1 ZINC001164898260 721495453 /nfs/dbraw/zinc/49/54/53/721495453.db2.gz GFXQJZPPCIAENG-IPMKNSEASA-N 0 3 424.578 2.365 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)c1 ZINC001164898254 721495596 /nfs/dbraw/zinc/49/55/96/721495596.db2.gz GFXQJZPPCIAENG-GBESFXJTSA-N 0 3 424.578 2.365 20 0 HEADHN COC(=O)c1cc(OC)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902165 721524215 /nfs/dbraw/zinc/52/42/15/721524215.db2.gz ZUCQYVXXLYDRLJ-CRAIPNDOSA-N 0 3 401.438 2.358 20 0 HEADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900146 721526039 /nfs/dbraw/zinc/52/60/39/721526039.db2.gz OPBGXXCJRUZACM-HOCLYGCPSA-N 0 3 420.872 2.327 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CNCC3)[C@H]2CCCO[C@H]12 ZINC001164795700 721526628 /nfs/dbraw/zinc/52/66/28/721526628.db2.gz RSKITCGAZXEYKB-OTWHNJEPSA-N 0 3 414.941 2.039 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909904 721542288 /nfs/dbraw/zinc/54/22/88/721542288.db2.gz SKNKAVDENGCRTN-HIFRSBDPSA-N 0 3 402.857 2.459 20 0 HEADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907794 721546628 /nfs/dbraw/zinc/54/66/28/721546628.db2.gz OOPCMLZOWQMPBI-SJLPKXTDSA-N 0 3 400.454 2.196 20 0 HEADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902984 721547138 /nfs/dbraw/zinc/54/71/38/721547138.db2.gz BPYCCLMQDJMBGK-HKUYNNGSSA-N 0 3 417.481 2.346 20 0 HEADHN O=c1ccccn1-c1nccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903145 721557364 /nfs/dbraw/zinc/55/73/64/721557364.db2.gz AZXOONIORAFGMM-PKOBYXMFSA-N 0 3 407.449 2.109 20 0 HEADHN COCCOC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164903590 721564672 /nfs/dbraw/zinc/56/46/72/721564672.db2.gz CVTPYJHQPRWONA-ICSRJNTNSA-N 0 3 415.465 2.366 20 0 HEADHN CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CCN(C)CC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164808863 721565035 /nfs/dbraw/zinc/56/50/35/721565035.db2.gz WBINLRIYAUZEGI-AWRGLXIESA-N 0 3 422.577 2.097 20 0 HEADHN O=C1CSc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2N1 ZINC001164911430 721566345 /nfs/dbraw/zinc/56/63/45/721566345.db2.gz ZEDRCEZQBHSBKS-UKRRQHHQSA-N 0 3 401.467 2.002 20 0 HEADHN O=C(CO[C@@H]1CO[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)N1CCCC1 ZINC001164939554 721918625 /nfs/dbraw/zinc/91/86/25/721918625.db2.gz UPSZYWVIVRFRHF-NZQKXSOJSA-N 0 3 414.550 2.054 20 0 HEADHN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@@H]21 ZINC001164944392 721953934 /nfs/dbraw/zinc/95/39/34/721953934.db2.gz JXMMXUCOTQFGNQ-OALUTQOASA-N 0 3 403.914 2.075 20 0 HEADHN O=C([C@H]1COc2ccccc2O1)N1CCN(c2ccc(CN3CCCC3)cn2)CC1 ZINC001165049145 721981512 /nfs/dbraw/zinc/98/15/12/721981512.db2.gz HCJPMIJNZBARDS-OAQYLSRUSA-N 0 3 408.502 2.166 20 0 HEADHN CN(Cc1ccc(N2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)nc1)C1CC1 ZINC001164950672 722002845 /nfs/dbraw/zinc/00/28/45/722002845.db2.gz DYNQJXBVFPELCY-UHFFFAOYSA-N 0 3 421.545 2.469 20 0 HEADHN CC(=O)N1[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164969341 722081068 /nfs/dbraw/zinc/08/10/68/722081068.db2.gz JDYDWYQNAPLQIC-BHIFYINESA-N 0 3 408.550 2.390 20 0 HEADHN O=C(c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1)N1CCCC1 ZINC001164981427 722099397 /nfs/dbraw/zinc/09/93/97/722099397.db2.gz LLVVLQIKZOWVDZ-IRLDBZIGSA-N 0 3 421.545 2.440 20 0 HEADHN C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164975608 722120813 /nfs/dbraw/zinc/12/08/13/722120813.db2.gz JZASBJGFCDKGLM-NXHRZFHOSA-N 0 3 408.506 2.045 20 0 HEADHN O=c1cc2[nH]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164983086 722121517 /nfs/dbraw/zinc/12/15/17/722121517.db2.gz YDKZQOMDFLCXAY-DNVCBOLYSA-N 0 3 413.909 2.352 20 0 HEADHN CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979776 722126189 /nfs/dbraw/zinc/12/61/89/722126189.db2.gz PXLVEPZRPGRORV-MOPGFXCFSA-N 0 3 411.554 2.183 20 0 HEADHN CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000769735036 1078553254 /nfs/dbraw/zinc/55/32/54/1078553254.db2.gz FZCZDZZPXBLZOV-HKUYNNGSSA-N 0 3 404.511 2.362 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(CCO[C@H]3CCCCO3)C2)C(=O)C1 ZINC000769787941 1078566769 /nfs/dbraw/zinc/56/67/69/1078566769.db2.gz FYQBSLBXVAOTKN-HKUYNNGSSA-N 0 3 411.543 2.073 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000745862927 1078678303 /nfs/dbraw/zinc/67/83/03/1078678303.db2.gz QGSSEEXQMRIKKC-DENIHFKCSA-N 0 3 402.583 2.415 20 0 HEADHN COC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cn1C ZINC000745937147 1078703876 /nfs/dbraw/zinc/70/38/76/1078703876.db2.gz DBAGRIGFHBFAJI-QGZVFWFLSA-N 0 3 405.520 2.002 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)n(C)c1 ZINC000770050324 1078704851 /nfs/dbraw/zinc/70/48/51/1078704851.db2.gz QESCQSWTVHCVIA-UZLBHIALSA-N 0 3 420.579 2.477 20 0 HEADHN C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@@H](c1ccccc1)N(C)C ZINC000770050425 1078705333 /nfs/dbraw/zinc/70/53/33/1078705333.db2.gz REYPAQKPFIXDFB-LIRRHRJNSA-N 0 3 407.511 2.497 20 0 HEADHN CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@H](c3ccccc3)N(C)C)cc2S1(=O)=O ZINC000770053156 1078706742 /nfs/dbraw/zinc/70/67/42/1078706742.db2.gz YTYFLWCJXGVVPE-AUUYWEPGSA-N 0 3 415.515 2.272 20 0 HEADHN Cc1cc(C)c(N2C[C@@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2=O)c(C)c1 ZINC000770172175 1078768561 /nfs/dbraw/zinc/76/85/61/1078768561.db2.gz GRASXZOMXJNLPD-UXHICEINSA-N 0 3 400.567 2.107 20 0 HEADHN Cc1ccc(N2C[C@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)CCC2=O)cc1C ZINC000770171499 1078767271 /nfs/dbraw/zinc/76/72/71/1078767271.db2.gz BIYRFONXHSZMLO-WOJBJXKFSA-N 0 3 400.567 2.189 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cn(C(C)(C)C)nc1Br ZINC000770173141 1078769279 /nfs/dbraw/zinc/76/92/79/1078769279.db2.gz LTXOMZNJSSEFEV-ZDUSSCGKSA-N 0 3 400.365 2.156 20 0 HEADHN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000746113452 1078792480 /nfs/dbraw/zinc/79/24/80/1078792480.db2.gz KCTPHFKKXLDREO-INIZCTEOSA-N 0 3 424.501 2.296 20 0 HEADHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1cccc(N2CCOC2=O)c1 ZINC000746133777 1078801475 /nfs/dbraw/zinc/80/14/75/1078801475.db2.gz ZOOVJYMKKSWRBB-UHFFFAOYSA-N 0 3 408.502 2.472 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1=O ZINC000746213217 1078823527 /nfs/dbraw/zinc/82/35/27/1078823527.db2.gz NYXHXICTTYHRBG-MRXNPFEDSA-N 0 3 413.449 2.394 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1=O ZINC000746261724 1078827636 /nfs/dbraw/zinc/82/76/36/1078827636.db2.gz YDOXLWVECGMFJG-CYBMUJFWSA-N 0 3 403.870 2.271 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000770361943 1078830530 /nfs/dbraw/zinc/83/05/30/1078830530.db2.gz LVSXLNBRBIAOOV-IRXDYDNUSA-N 0 3 403.527 2.029 20 0 HEADHN CN1CCN(CCCCNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766350873 1078899912 /nfs/dbraw/zinc/89/99/12/1078899912.db2.gz KZLADOIPKYPPJL-NRFANRHFSA-N 0 3 416.566 2.179 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000770592144 1078900064 /nfs/dbraw/zinc/90/00/64/1078900064.db2.gz BGSZWXYWIPRDDW-DYVFJYSZSA-N 0 3 403.354 2.352 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770602123 1078903191 /nfs/dbraw/zinc/90/31/91/1078903191.db2.gz QSABTRLCZHZLLY-FPOVZHCZSA-N 0 3 416.566 2.035 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000770605495 1078913123 /nfs/dbraw/zinc/91/31/23/1078913123.db2.gz LSOIGMHPZKPREX-ROUUACIJSA-N 0 3 411.591 2.101 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)C3=NN(CC(C)C)C(=O)CC3)cc2)CC1 ZINC000766357587 1078913701 /nfs/dbraw/zinc/91/37/01/1078913701.db2.gz ZAJRBAVBQQLZIN-UHFFFAOYSA-N 0 3 413.566 2.075 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000770607282 1078913770 /nfs/dbraw/zinc/91/37/70/1078913770.db2.gz PLXDQNXMQZURRF-KZNAEPCWSA-N 0 3 411.591 2.052 20 0 HEADHN CCC[C@@H]1CN(Cn2ncn(-c3ccc(OC)nc3)c2=S)CCN1CCOC ZINC000766383395 1078933884 /nfs/dbraw/zinc/93/38/84/1078933884.db2.gz YNMXPNQIURDUIX-QGZVFWFLSA-N 0 3 406.556 2.197 20 0 HEADHN C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(C)(C)CN(C)C ZINC000770692419 1078960362 /nfs/dbraw/zinc/96/03/62/1078960362.db2.gz KNOGVKNFVRYRMX-SECBINFHSA-N 0 3 402.991 2.060 20 0 HEADHN COC(=O)C[C@@]1(NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCOC1 ZINC000770701732 1078970008 /nfs/dbraw/zinc/97/00/08/1078970008.db2.gz SGOPGGBXQGUMOK-KRWDZBQOSA-N 0 3 414.384 2.222 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3COc4ccccc4C3)c2)CC1 ZINC000770712886 1078980404 /nfs/dbraw/zinc/98/04/04/1078980404.db2.gz QUSHWDRKBXVOTD-GOSISDBHSA-N 0 3 422.529 2.135 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[C@H](O)c3ccccc3)c2)CC1 ZINC000770749243 1079004225 /nfs/dbraw/zinc/00/42/25/1079004225.db2.gz LXLBECNRIGQXFJ-AVRDEDQJSA-N 0 3 424.545 2.395 20 0 HEADHN CCOC(=O)C1=C(CN[C@@](C)(CO)C2CCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000746469828 1079019147 /nfs/dbraw/zinc/01/91/47/1079019147.db2.gz DVAIFKNSZGFOGK-NQIIRXRSSA-N 0 3 405.495 2.372 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC(F)F ZINC000770801427 1079023364 /nfs/dbraw/zinc/02/33/64/1079023364.db2.gz NAPRNFUMFPCJSW-ZDUSSCGKSA-N 0 3 400.495 2.082 20 0 HEADHN NC(=O)c1ccc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000766489134 1079027423 /nfs/dbraw/zinc/02/74/23/1079027423.db2.gz VPCBRVSUTOIQTH-UHFFFAOYSA-N 0 3 402.394 2.248 20 0 HEADHN Cc1ccncc1CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170018164 1079030220 /nfs/dbraw/zinc/03/02/20/1079030220.db2.gz GAIKORYFYFVMDT-IRXDYDNUSA-N 0 3 406.552 2.391 20 0 HEADHN C[C@@H]1C[C@@H](N2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168858767 1079055142 /nfs/dbraw/zinc/05/51/42/1079055142.db2.gz QZTHJKMLGPEPMT-CWQOZTLDSA-N 0 3 409.527 2.028 20 0 HEADHN C[C@@H]1C[C@@H](N2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168854577 1079053528 /nfs/dbraw/zinc/05/35/28/1079053528.db2.gz HKOHFDUZWYWWPM-QTUASDBPSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@@H]1C[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168861133 1079055997 /nfs/dbraw/zinc/05/59/97/1079055997.db2.gz WTGVLUZJINNDIO-VINWQNLFSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@@H]1C[C@@H](N2CCC3(C[C@@H]3C(=O)N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168865050 1079057377 /nfs/dbraw/zinc/05/73/77/1079057377.db2.gz LSNYCSOWWJHVBR-KZNAEPCWSA-N 0 3 407.555 2.345 20 0 HEADHN COC(=O)c1ccc([C@H](CO)N[C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cc1 ZINC001168920114 1079075739 /nfs/dbraw/zinc/07/57/39/1079075739.db2.gz LQMJLADWICOYRO-FPOVZHCZSA-N 0 3 412.486 2.296 20 0 HEADHN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771040476 1079112942 /nfs/dbraw/zinc/11/29/42/1079112942.db2.gz QAOCZWZAQFUVAX-VQTJNVASSA-N 0 3 417.550 2.492 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](NCc2cccc(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170021194 1079122770 /nfs/dbraw/zinc/12/27/70/1079122770.db2.gz WYPFHBKEPSQCJS-WBVHZDCISA-N 0 3 407.536 2.393 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N[C@@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072634 1079124899 /nfs/dbraw/zinc/12/48/99/1079124899.db2.gz LSZMILFEUVPIMS-XYJFISCASA-N 0 3 420.506 2.079 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280244 1079128769 /nfs/dbraw/zinc/12/87/69/1079128769.db2.gz NWDNMURDCLQKCF-PXNSSMCTSA-N 0 3 407.942 2.022 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149869 1079166745 /nfs/dbraw/zinc/16/67/45/1079166745.db2.gz OXIMTKKHUABEGK-PMACEKPBSA-N 0 3 416.566 2.237 20 0 HEADHN CC[C@H](C)[C@H](Nc1nc(CN2CC[C@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(N)=O ZINC001169150480 1079166772 /nfs/dbraw/zinc/16/67/72/1079166772.db2.gz WSNMUHBYLVDJHA-MPGHIAIKSA-N 0 3 419.570 2.192 20 0 HEADHN O[C@@H](CN1CCC(Oc2cccc(Br)c2)CC1)C[C@@]1(O)CCOC1 ZINC001169154804 1079168176 /nfs/dbraw/zinc/16/81/76/1079168176.db2.gz ZANDYDGQCBUGQA-QAPCUYQASA-N 0 3 400.313 2.195 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c2ccccc2nc1[C@H](C)N ZINC001169161475 1079170509 /nfs/dbraw/zinc/17/05/09/1079170509.db2.gz DDMZNENUIFRQDW-CABCVRRESA-N 0 3 423.521 2.235 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCC(F)(F)[C@H](F)C1 ZINC001169194049 1079181755 /nfs/dbraw/zinc/18/17/55/1079181755.db2.gz YDDYBTHLMQKCMA-UONOGXRCSA-N 0 3 415.460 2.062 20 0 HEADHN CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000771195084 1079198042 /nfs/dbraw/zinc/19/80/42/1079198042.db2.gz SNWTYRVWERYGSA-UHFFFAOYSA-N 0 3 414.510 2.144 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000771289199 1079242435 /nfs/dbraw/zinc/24/24/35/1079242435.db2.gz JKQUCRKZNPHROP-UHFFFAOYSA-N 0 3 415.582 2.138 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510735 1079253332 /nfs/dbraw/zinc/25/33/32/1079253332.db2.gz FDMWMRXJPMUDPP-XWSJACJDSA-N 0 3 423.602 2.100 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CO1 ZINC001169393539 1079265030 /nfs/dbraw/zinc/26/50/30/1079265030.db2.gz SSOAWVFYAJPEPM-ALOGGSCOSA-N 0 3 420.575 2.476 20 0 HEADHN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(CN(C)C)c2)C1=O ZINC000771273581 1079261428 /nfs/dbraw/zinc/26/14/28/1079261428.db2.gz GAANSHSISJESIK-HSZRJFAPSA-N 0 3 424.501 2.471 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000771293126 1079268216 /nfs/dbraw/zinc/26/82/16/1079268216.db2.gz ZDKIVLAPCNCFRB-UHFFFAOYSA-N 0 3 411.591 2.101 20 0 HEADHN CCOC(=O)N1CC[C@@H](NC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000771319768 1079285023 /nfs/dbraw/zinc/28/50/23/1079285023.db2.gz LMZXYXTXAIFWFN-QGZVFWFLSA-N 0 3 410.559 2.330 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O ZINC001169537842 1079325344 /nfs/dbraw/zinc/32/53/44/1079325344.db2.gz BQJHRMVQECZEBE-WSUBETFTSA-N 0 3 421.541 2.420 20 0 HEADHN CN(C[C@H](O)CN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001169687643 1079369259 /nfs/dbraw/zinc/36/92/59/1079369259.db2.gz UXQFWFLJNACIEK-YWZLYKJASA-N 0 3 401.548 2.451 20 0 HEADHN COc1cncc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170028377 1079379804 /nfs/dbraw/zinc/37/98/04/1079379804.db2.gz CDJBYXOXLTVGQC-RDJZCZTQSA-N 0 3 422.551 2.091 20 0 HEADHN CN(CC(=O)NC1CCN([C@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000771581547 1079380089 /nfs/dbraw/zinc/38/00/89/1079380089.db2.gz GGGVVWFFHDWDIL-KRWDZBQOSA-N 0 3 413.440 2.324 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@H](N2CCc3ncc(Cn4cccn4)n3CC2)C1 ZINC001169769203 1079402525 /nfs/dbraw/zinc/40/25/25/1079402525.db2.gz DXMUYDYQMSZRSU-FQEVSTJZSA-N 0 3 404.518 2.291 20 0 HEADHN CCCCCCN(C)CC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771657607 1079428480 /nfs/dbraw/zinc/42/84/80/1079428480.db2.gz FPUMGFWUKYWCHY-KRWDZBQOSA-N 0 3 401.507 2.022 20 0 HEADHN Cc1cc(=O)oc2cc(OCC(=O)NC(C)(C)CCN3CCN(C)CC3)ccc12 ZINC000771663267 1079432088 /nfs/dbraw/zinc/43/20/88/1079432088.db2.gz JZKQVSWIKPZCRM-UHFFFAOYSA-N 0 3 401.507 2.013 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)CC1 ZINC001169881910 1079456209 /nfs/dbraw/zinc/45/62/09/1079456209.db2.gz YFNRQXIBWGQNQI-UHFFFAOYSA-N 0 3 405.564 2.366 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2ncn(-c3cccc(Cl)c3)c2=S)CC1 ZINC000738161012 1075971441 /nfs/dbraw/zinc/97/14/41/1075971441.db2.gz LQNYIEHLFLDAPD-UHFFFAOYSA-N 0 3 420.970 2.254 20 0 HEADHN CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738316793 1075988230 /nfs/dbraw/zinc/98/82/30/1075988230.db2.gz GRWYLBUJOPMBRQ-IBGZPJMESA-N 0 3 416.566 2.198 20 0 HEADHN CN(CCc1nc2ccccc2c(=O)[nH]1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326203 1075990560 /nfs/dbraw/zinc/99/05/60/1075990560.db2.gz KETGVBWKTTXUOH-UHFFFAOYSA-N 0 3 415.538 2.362 20 0 HEADHN Cc1c(C(=O)NC[C@@](C)(O)c2cccs2)nnn1-c1cccc2c1CCN(C)C2 ZINC000740158724 1076114572 /nfs/dbraw/zinc/11/45/72/1076114572.db2.gz OQENSKCIJSMYHD-OAQYLSRUSA-N 0 3 411.531 2.263 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1OCCC(C)C ZINC000740493149 1076172320 /nfs/dbraw/zinc/17/23/20/1076172320.db2.gz ALORDZKIULQEDF-OALUTQOASA-N 0 3 403.523 2.338 20 0 HEADHN CCCN(CCN(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O ZINC000740695582 1076225940 /nfs/dbraw/zinc/22/59/40/1076225940.db2.gz VQITZGOXGFNNEE-HSZRJFAPSA-N 0 3 410.518 2.407 20 0 HEADHN CCCN(CCN(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O ZINC000740695583 1076226103 /nfs/dbraw/zinc/22/61/03/1076226103.db2.gz VQITZGOXGFNNEE-QHCPKHFHSA-N 0 3 410.518 2.407 20 0 HEADHN Cc1cccc(C2N=NC(=S)N2CCC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000740748241 1076233075 /nfs/dbraw/zinc/23/30/75/1076233075.db2.gz ZSNRUGIDFWTZCT-UHFFFAOYSA-N 0 3 416.595 2.028 20 0 HEADHN C[C@@H]1NC(C(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)=NN(c2ccccc2)C1=O ZINC000740847052 1076266581 /nfs/dbraw/zinc/26/65/81/1076266581.db2.gz MDXHVNSRQBTWML-MOPGFXCFSA-N 0 3 419.529 2.448 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000741328591 1076478055 /nfs/dbraw/zinc/47/80/55/1076478055.db2.gz ISCNNFWYMFICET-UHFFFAOYSA-N 0 3 410.470 2.487 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN3CCc4ccccc43)cc2)CC1 ZINC000741333984 1076479966 /nfs/dbraw/zinc/47/99/66/1076479966.db2.gz YLUQBVKXORUSAS-UHFFFAOYSA-N 0 3 422.529 2.373 20 0 HEADHN CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000741333882 1076480393 /nfs/dbraw/zinc/48/03/93/1076480393.db2.gz XNXTVYSARHWNAJ-HXUWFJFHSA-N 0 3 416.518 2.386 20 0 HEADHN COC(=O)c1cc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000741394360 1076509622 /nfs/dbraw/zinc/50/96/22/1076509622.db2.gz XGWQFEVEDHUBIN-NRFANRHFSA-N 0 3 401.438 2.371 20 0 HEADHN O=C(NCc1ccc(-n2ccnc2)cc1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000741410617 1076513541 /nfs/dbraw/zinc/51/35/41/1076513541.db2.gz KQPKEIXCTBEBPG-QHCPKHFHSA-N 0 3 405.502 2.309 20 0 HEADHN CC(C)c1ccc(N2CC[C@@H](C(=O)N(C)CCCN3CCN(C)CC3)C2=O)cc1 ZINC000741690132 1076587797 /nfs/dbraw/zinc/58/77/97/1076587797.db2.gz HCCDGRCXADCBAF-NRFANRHFSA-N 0 3 400.567 2.259 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000741693446 1076588567 /nfs/dbraw/zinc/58/85/67/1076588567.db2.gz QYXKANYPRCOAEK-WIYYLYMNSA-N 0 3 400.567 2.305 20 0 HEADHN C[C@@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742164464 1076761022 /nfs/dbraw/zinc/76/10/22/1076761022.db2.gz ZZHXQRAWRDKVNS-XLIONFOSSA-N 0 3 418.335 2.369 20 0 HEADHN S=c1n(CN2CC[C@H](N3CC=CC3)C2)nc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC000742164253 1076761087 /nfs/dbraw/zinc/76/10/87/1076761087.db2.gz YSSFITWMBZYEIT-OALUTQOASA-N 0 3 418.611 2.487 20 0 HEADHN S=c1n(CN2CC[C@H](N3CC=CC3)C2)nc(N2CCCCC2)n1C[C@H]1CCCO1 ZINC000742164256 1076761238 /nfs/dbraw/zinc/76/12/38/1076761238.db2.gz YSSFITWMBZYEIT-RBUKOAKNSA-N 0 3 418.611 2.487 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NCc3ccc(-n4ccnc4)nc3)CC2)c1 ZINC000742243774 1076804457 /nfs/dbraw/zinc/80/44/57/1076804457.db2.gz DZJRYMBQMIALDY-UHFFFAOYSA-N 0 3 404.518 2.404 20 0 HEADHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742297079 1076820937 /nfs/dbraw/zinc/82/09/37/1076820937.db2.gz VJZABIKXELMQGX-WOJBJXKFSA-N 0 3 423.579 2.391 20 0 HEADHN CN(CC[C@@H]1CCCCN1C)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000742323192 1076823823 /nfs/dbraw/zinc/82/38/23/1076823823.db2.gz ZTTYIWVLPBZXDS-SFHVURJKSA-N 0 3 409.552 2.143 20 0 HEADHN NC(=O)COc1ccc(CN[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000742378659 1076835073 /nfs/dbraw/zinc/83/50/73/1076835073.db2.gz IXVCOTJUBWHGJP-GOSISDBHSA-N 0 3 419.428 2.437 20 0 HEADHN CCCCc1nnc(SCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)n1N ZINC000742456741 1076843725 /nfs/dbraw/zinc/84/37/25/1076843725.db2.gz RXVDOIHYZVYPHV-UHFFFAOYSA-N 0 3 417.583 2.207 20 0 HEADHN O=C(Nc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1)OCC(F)(F)F ZINC000742599478 1076855038 /nfs/dbraw/zinc/85/50/38/1076855038.db2.gz WAOGMCKXVFYTJY-CABCVRRESA-N 0 3 401.385 2.390 20 0 HEADHN C[C@@H]1NC(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742791040 1076879685 /nfs/dbraw/zinc/87/96/85/1076879685.db2.gz JTOUMGPTQZICAB-FXAWDEMLSA-N 0 3 405.502 2.058 20 0 HEADHN Cc1c(C(=O)NCC[C@@H](O)c2ccccc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000742823116 1076883441 /nfs/dbraw/zinc/88/34/41/1076883441.db2.gz LFKIBLXIHDHONZ-OAQYLSRUSA-N 0 3 405.502 2.417 20 0 HEADHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc2c1COC2=O ZINC000743049657 1076938721 /nfs/dbraw/zinc/93/87/21/1076938721.db2.gz RYLQSQMLFQDUAP-KRWDZBQOSA-N 0 3 400.500 2.500 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)NCc3cccc(OCC(N)=O)c3)cc2)CC1 ZINC000743079569 1076945523 /nfs/dbraw/zinc/94/55/23/1076945523.db2.gz QPEHQTXVCDBDDB-UHFFFAOYSA-N 0 3 411.506 2.014 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)N1CCC[C@H](C)C1 ZINC000743885566 1077174924 /nfs/dbraw/zinc/17/49/24/1077174924.db2.gz WRIOGPPSYUQVBK-DLBZAZTESA-N 0 3 404.580 2.415 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000743885753 1077177464 /nfs/dbraw/zinc/17/74/64/1077177464.db2.gz ZVSMXGDLNSPHJL-JKSUJKDBSA-N 0 3 402.495 2.269 20 0 HEADHN Cc1c(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cccc1N1CCOC1=O ZINC000743905593 1077218011 /nfs/dbraw/zinc/21/80/11/1077218011.db2.gz AMVHGWJMZQPFNI-GJZGRUSLSA-N 0 3 402.495 2.269 20 0 HEADHN COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743979179 1077293272 /nfs/dbraw/zinc/29/32/72/1077293272.db2.gz DDTJPSQQGPFYJZ-CYBMUJFWSA-N 0 3 417.428 2.270 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000743980371 1077293683 /nfs/dbraw/zinc/29/36/83/1077293683.db2.gz ZDAKOTSQRAFDFF-SFHVURJKSA-N 0 3 422.529 2.431 20 0 HEADHN CC(C)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1Cl ZINC000743981896 1077295035 /nfs/dbraw/zinc/29/50/35/1077295035.db2.gz VDHDNZGSMULBLJ-CQSZACIVSA-N 0 3 408.930 2.265 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000743982012 1077295088 /nfs/dbraw/zinc/29/50/88/1077295088.db2.gz NLGGAYXVVBGOKC-MRXNPFEDSA-N 0 3 410.522 2.211 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743983643 1077295376 /nfs/dbraw/zinc/29/53/76/1077295376.db2.gz XZCZCPQZRNCRIW-FGTMMUONSA-N 0 3 414.550 2.344 20 0 HEADHN CCN1C(=O)c2ccc(C(=O)N(CCN(C)C)Cc3ccccc3)cc2S1(=O)=O ZINC000744098461 1077322554 /nfs/dbraw/zinc/32/25/54/1077322554.db2.gz MGOORARLJOANGD-UHFFFAOYSA-N 0 3 415.515 2.055 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3nc(C)ncc3Cl)cc2)CC1 ZINC000745376699 1077817418 /nfs/dbraw/zinc/81/74/18/1077817418.db2.gz APMMCIKNDLKOLW-UHFFFAOYSA-N 0 3 417.897 2.376 20 0 HEADHN CN(C)c1ccc(N2CCC(NC(=O)NCC(C)(C)N3CCN(C)CC3)CC2)cc1 ZINC000745429626 1077824082 /nfs/dbraw/zinc/82/40/82/1077824082.db2.gz PAUHIZZYOCDBFF-UHFFFAOYSA-N 0 3 416.614 2.047 20 0 HEADHN CCN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771763576 1079519615 /nfs/dbraw/zinc/51/96/15/1079519615.db2.gz SYHGSOAQFKZFGK-HXUWFJFHSA-N 0 3 405.506 2.468 20 0 HEADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nc2ccccc2s1 ZINC000767018625 1079591054 /nfs/dbraw/zinc/59/10/54/1079591054.db2.gz NMRVJIGVWKCRSL-GOEBONIOSA-N 0 3 401.536 2.305 20 0 HEADHN C[C@H](CNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000767081539 1079652814 /nfs/dbraw/zinc/65/28/14/1079652814.db2.gz RCOVSUALCFMKPL-HZPDHXFCSA-N 0 3 403.589 2.426 20 0 HEADHN Cc1c(-c2cc(CON=C(N)c3ccccc3CN3CCC(O)CC3)on2)cnn1C ZINC000767099601 1079656167 /nfs/dbraw/zinc/65/61/67/1079656167.db2.gz ZGBIJGWMGJLKIU-UHFFFAOYSA-N 0 3 424.505 2.387 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@H]3CN4CCN3CC4)C2=O)cc1C ZINC000746522007 1079657025 /nfs/dbraw/zinc/65/70/25/1079657025.db2.gz JFASNFIITABBRX-QFVADWCQSA-N 0 3 416.525 2.421 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000767095390 1079675269 /nfs/dbraw/zinc/67/52/69/1079675269.db2.gz HDUZIGLFGSAHHM-RBUKOAKNSA-N 0 3 412.534 2.381 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000767163282 1079701339 /nfs/dbraw/zinc/70/13/39/1079701339.db2.gz GAZHWYIELQSNDJ-LSDHHAIUSA-N 0 3 414.597 2.326 20 0 HEADHN COC(=O)/C=C/c1ccc(OCCN2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000767297170 1079798193 /nfs/dbraw/zinc/79/81/93/1079798193.db2.gz SSKODBGPSLBBIU-MZEUMTGBSA-N 0 3 410.536 2.045 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCCC3(COC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170046821 1080009766 /nfs/dbraw/zinc/00/97/66/1080009766.db2.gz ZPWQQHONPVORIO-HOTGVXAUSA-N 0 3 411.568 2.010 20 0 HEADHN CC[C@]1(C)CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCO1 ZINC000785509675 1080027614 /nfs/dbraw/zinc/02/76/14/1080027614.db2.gz DWYABLJLQINDOG-FGZHOGPDSA-N 0 3 400.523 2.031 20 0 HEADHN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000767773133 1080080774 /nfs/dbraw/zinc/08/07/74/1080080774.db2.gz BDMBMFGUJLZSDQ-SPEDKVCISA-N 0 3 403.523 2.406 20 0 HEADHN COc1ccc(-c2ncc(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)s2)cc1OC ZINC000767777496 1080083319 /nfs/dbraw/zinc/08/33/19/1080083319.db2.gz UIGJMXYCDOFBIW-LSDHHAIUSA-N 0 3 403.504 2.420 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](Cc2ccc(F)cc2F)C(C)=O)CC1=O ZINC000785647561 1080097051 /nfs/dbraw/zinc/09/70/51/1080097051.db2.gz LEMWSDQKZNQJDP-YVWKXTFCSA-N 0 3 422.472 2.341 20 0 HEADHN CCOC1CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170048474 1080097876 /nfs/dbraw/zinc/09/78/76/1080097876.db2.gz NZINSTMHJNIGQF-WBVHZDCISA-N 0 3 413.584 2.398 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)c2cc(F)ccc2F)CC1=O ZINC000785654955 1080174233 /nfs/dbraw/zinc/17/42/33/1080174233.db2.gz UQZQRBUEXYOPDE-IJEWVQPXSA-N 0 3 408.445 2.412 20 0 HEADHN CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(CN3CCCC3)c2)cc1 ZINC000785721430 1080194325 /nfs/dbraw/zinc/19/43/25/1080194325.db2.gz PZUUEYMBDJTJJC-UHFFFAOYSA-N 0 3 416.499 2.481 20 0 HEADHN CCOC(=O)C1C(COC(=O)CN2[C@H](C)CC[C@H]2C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000785736332 1080208769 /nfs/dbraw/zinc/20/87/69/1080208769.db2.gz XYGHDNTUSMOSEF-STXHMFSFSA-N 0 3 415.490 2.274 20 0 HEADHN Cc1ccc(CN2CCCN(C(=O)COC(=O)CN3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000785736948 1080209700 /nfs/dbraw/zinc/20/97/00/1080209700.db2.gz XYQHOAZQPTUTTQ-WOJBJXKFSA-N 0 3 401.551 2.445 20 0 HEADHN CC[C@]1(C)CC(=O)N(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000767972837 1080243655 /nfs/dbraw/zinc/24/36/55/1080243655.db2.gz SEQBWXXPEBLDKC-AUSIDOKSSA-N 0 3 413.566 2.048 20 0 HEADHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767980075 1080247066 /nfs/dbraw/zinc/24/70/66/1080247066.db2.gz BDCRIAVORUIZBZ-SNVBAGLBSA-N 0 3 403.708 2.427 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CCCC(=O)NC(C)C)CC1 ZINC000785843233 1080264503 /nfs/dbraw/zinc/26/45/03/1080264503.db2.gz XHQNQNONUFQULR-UHFFFAOYSA-N 0 3 417.550 2.267 20 0 HEADHN O=C(NCCN1CCCC1)c1ccc(NC(=O)[C@@]2(O)CCc3ccccc3C2)cc1 ZINC000786144642 1080420539 /nfs/dbraw/zinc/42/05/39/1080420539.db2.gz PYUDMLPQFLMFTL-XMMPIXPASA-N 0 3 407.514 2.371 20 0 HEADHN COc1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)ccc1OC(=O)C1CC1 ZINC000768233886 1080434448 /nfs/dbraw/zinc/43/44/48/1080434448.db2.gz APUVTJAQVWYFQO-GOSISDBHSA-N 0 3 402.491 2.081 20 0 HEADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)ccc1F ZINC000786200770 1080469379 /nfs/dbraw/zinc/46/93/79/1080469379.db2.gz OWFOSJUFRBLSAL-UHFFFAOYSA-N 0 3 423.514 2.228 20 0 HEADHN C[C@H]1[C@@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000786172811 1080478428 /nfs/dbraw/zinc/47/84/28/1080478428.db2.gz CSQRHEOCWFWPOB-HOTGVXAUSA-N 0 3 413.559 2.364 20 0 HEADHN CC(C)N1CCCN(C(=O)C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCC2)CC1 ZINC000786392897 1080583843 /nfs/dbraw/zinc/58/38/43/1080583843.db2.gz OTEWUFQEOUOYIN-UHFFFAOYSA-N 0 3 424.586 2.273 20 0 HEADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394905 1080584848 /nfs/dbraw/zinc/58/48/48/1080584848.db2.gz YDHIVJKGSQQCDD-KRWDZBQOSA-N 0 3 424.586 2.321 20 0 HEADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786407518 1080588577 /nfs/dbraw/zinc/58/85/77/1080588577.db2.gz CLWGMSNNTKWJSX-UHFFFAOYSA-N 0 3 412.575 2.129 20 0 HEADHN COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)c1 ZINC000786423763 1080595387 /nfs/dbraw/zinc/59/53/87/1080595387.db2.gz JNSSRZXDCDYDSO-IBGZPJMESA-N 0 3 401.507 2.208 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000746600216 1080767915 /nfs/dbraw/zinc/76/79/15/1080767915.db2.gz QOLWJUKXHLXSHF-INIZCTEOSA-N 0 3 423.970 2.456 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)NCCC3CCS(=O)(=O)CC3)cc2)CC1 ZINC000768844146 1080821479 /nfs/dbraw/zinc/82/14/79/1080821479.db2.gz BWDWEKUBKBMTBN-UHFFFAOYSA-N 0 3 408.568 2.165 20 0 HEADHN C[C@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000786826124 1080826613 /nfs/dbraw/zinc/82/66/13/1080826613.db2.gz QDBUFGUHFOGKHA-PXNSSMCTSA-N 0 3 424.497 2.323 20 0 HEADHN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000768897547 1080837263 /nfs/dbraw/zinc/83/72/63/1080837263.db2.gz OEXXMCFUSWGVFI-GOTSBHOMSA-N 0 3 423.557 2.467 20 0 HEADHN CCc1ccccc1NC(=O)CNC(=O)COC(=O)CCN1CCc2ccccc2C1 ZINC000786814351 1080840056 /nfs/dbraw/zinc/84/00/56/1080840056.db2.gz MYLSBIBBQQTAEL-UHFFFAOYSA-N 0 3 423.513 2.295 20 0 HEADHN CN(Cc1cnc(N2CCN(C)CC2)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768862780 1080843904 /nfs/dbraw/zinc/84/39/04/1080843904.db2.gz GBDFKIIYHAATDU-UHFFFAOYSA-N 0 3 404.559 2.060 20 0 HEADHN Cc1csc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1I ZINC000786852084 1080851641 /nfs/dbraw/zinc/85/16/41/1080851641.db2.gz VGQRFPWVPFPKES-QWRGUYRKSA-N 0 3 406.289 2.254 20 0 HEADHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(N3CCNC3=O)cc2)s1 ZINC000786869498 1080861596 /nfs/dbraw/zinc/86/15/96/1080861596.db2.gz HDFCQGVLEMJEAK-AWEZNQCLSA-N 0 3 408.549 2.215 20 0 HEADHN CCN1CCN([C@H](C)CNS(=O)(=O)/C=C\c2cccc(Br)c2)CC1 ZINC000786869685 1080862685 /nfs/dbraw/zinc/86/26/85/1080862685.db2.gz ZBVVVPZVAVJYFS-WASHYIJTSA-N 0 3 416.385 2.365 20 0 HEADHN C[C@@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(N2CCNC2=O)cc1 ZINC000786871869 1080863553 /nfs/dbraw/zinc/86/35/53/1080863553.db2.gz OQNXLIMUVXLGSK-CQSZACIVSA-N 0 3 408.549 2.249 20 0 HEADHN O=C(COC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000786881523 1080884751 /nfs/dbraw/zinc/88/47/51/1080884751.db2.gz GKRYTPVADHCDHZ-MRXNPFEDSA-N 0 3 410.417 2.495 20 0 HEADHN O=C(COC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000786881523 1080884752 /nfs/dbraw/zinc/88/47/52/1080884752.db2.gz GKRYTPVADHCDHZ-MRXNPFEDSA-N 0 3 410.417 2.495 20 0 HEADHN O=C(Nc1ccn(Cc2ccccn2)n1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000768996522 1080894780 /nfs/dbraw/zinc/89/47/80/1080894780.db2.gz RQNJCIDCDVUYNC-FPOVZHCZSA-N 0 3 420.517 2.331 20 0 HEADHN COc1ccc(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1O ZINC000769192568 1080967677 /nfs/dbraw/zinc/96/76/77/1080967677.db2.gz NJHXQXOOADPYAB-MRXNPFEDSA-N 0 3 407.511 2.254 20 0 HEADHN CN(C)c1ccc(NC(=O)CCCN2CCN(c3ccccc3)CC2)c(C(N)=O)c1 ZINC000769176967 1080991346 /nfs/dbraw/zinc/99/13/46/1080991346.db2.gz DAKBXRIEGZLXSZ-UHFFFAOYSA-N 0 3 409.534 2.392 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769214810 1081004358 /nfs/dbraw/zinc/00/43/58/1081004358.db2.gz VIRODMGVYFQGKR-IBGZPJMESA-N 0 3 417.550 2.259 20 0 HEADHN CNC(=O)COc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1OC ZINC000772695788 1081035805 /nfs/dbraw/zinc/03/58/05/1081035805.db2.gz BVACXWALOHTDQB-UHFFFAOYSA-N 0 3 416.474 2.482 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000787164425 1081040858 /nfs/dbraw/zinc/04/08/58/1081040858.db2.gz SIHCBTQGSWMVQG-MRXNPFEDSA-N 0 3 410.559 2.281 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000769337728 1081047503 /nfs/dbraw/zinc/04/75/03/1081047503.db2.gz OEBFQMIMURSQDN-DOMZBBRYSA-N 0 3 407.383 2.312 20 0 HEADHN CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000746660791 1081054789 /nfs/dbraw/zinc/05/47/89/1081054789.db2.gz ACPXSEXUDSRSKU-INIZCTEOSA-N 0 3 411.543 2.119 20 0 HEADHN COc1cc(CNC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)ccc1OC(C)C ZINC000787239438 1081085775 /nfs/dbraw/zinc/08/57/75/1081085775.db2.gz LPZBHVZRYHCDGT-DLBZAZTESA-N 0 3 405.539 2.335 20 0 HEADHN O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000787270656 1081102419 /nfs/dbraw/zinc/10/24/19/1081102419.db2.gz JXCDTBCZZNQLRQ-JKSUJKDBSA-N 0 3 421.567 2.284 20 0 HEADHN O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000787270654 1081102487 /nfs/dbraw/zinc/10/24/87/1081102487.db2.gz JXCDTBCZZNQLRQ-HZPDHXFCSA-N 0 3 421.567 2.284 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1cc(NC(=O)OC(C)(C)C)ncn1)CC2 ZINC001164686054 719704992 /nfs/dbraw/zinc/70/49/92/719704992.db2.gz WHWXPCJBZQPANX-UHFFFAOYSA-N 0 3 404.515 2.004 20 0 HEADHN CC(C)N1[C@@H]2CCN(c3ncccc3S(C)(=O)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834429 720525097 /nfs/dbraw/zinc/52/50/97/720525097.db2.gz GIUCVTWBMIGNCF-OKZBNKHCSA-N 0 3 403.552 2.059 20 0 HEADHN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736280 720583606 /nfs/dbraw/zinc/58/36/06/720583606.db2.gz GMJBWOQCQJKVFF-UHFFFAOYSA-N 0 3 422.871 2.358 20 0 HEADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164738148 720635562 /nfs/dbraw/zinc/63/55/62/720635562.db2.gz ALACVPUNYCEAFG-JKSUJKDBSA-N 0 3 409.881 2.324 20 0 HEADHN COc1cc2nc(C)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164738981 720698840 /nfs/dbraw/zinc/69/88/40/720698840.db2.gz LSXGTBYNENFALZ-JKSUJKDBSA-N 0 3 422.489 2.087 20 0 HEADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1)C1CC1 ZINC001164737928 720752103 /nfs/dbraw/zinc/75/21/03/720752103.db2.gz DMUSPLCQAFSWKH-ZJOUEHCJSA-N 0 3 423.517 2.270 20 0 HEADHN COC(=O)c1cc2ccccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739909 720771090 /nfs/dbraw/zinc/77/10/90/720771090.db2.gz JPOHETLICUOERJ-SJORKVTESA-N 0 3 405.458 2.153 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164751157 720791432 /nfs/dbraw/zinc/79/14/32/720791432.db2.gz XCRICPXBHHQHAW-JKSUJKDBSA-N 0 3 405.458 2.153 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]3OCC[C@H]32)c1 ZINC001164763568 721016523 /nfs/dbraw/zinc/01/65/23/721016523.db2.gz YEQGLEOFJXOPRK-HMXCVIKNSA-N 0 3 409.534 2.181 20 0 HEADHN COC(=O)c1ccc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2c1 ZINC001164869954 721056861 /nfs/dbraw/zinc/05/68/61/721056861.db2.gz USSQXPXTZZXMAJ-PMACEKPBSA-N 0 3 419.485 2.291 20 0 HEADHN CCOC(=O)c1nnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865940 721080065 /nfs/dbraw/zinc/08/00/65/721080065.db2.gz QCLNLEXYXUVHSL-HZPDHXFCSA-N 0 3 417.897 2.181 20 0 HEADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865126 721119010 /nfs/dbraw/zinc/11/90/10/721119010.db2.gz INOSHPPSDDGGIP-PMACEKPBSA-N 0 3 409.534 2.485 20 0 HEADHN COC(=O)/C=C\c1cc(C)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880964 721122367 /nfs/dbraw/zinc/12/23/67/721122367.db2.gz YIUSZKAYWWNQME-JVRGAZCGSA-N 0 3 408.502 2.451 20 0 HEADHN CCOC(=O)c1cnc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cc1OCC ZINC001164766397 721127288 /nfs/dbraw/zinc/12/72/88/721127288.db2.gz KZOJDVFPGCPXSG-QZTJIDSGSA-N 0 3 413.522 2.349 20 0 HEADHN CCOC(=O)c1cnc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)cc1OCC ZINC001164766396 721128778 /nfs/dbraw/zinc/12/87/78/721128778.db2.gz KZOJDVFPGCPXSG-MSOLQXFVSA-N 0 3 413.522 2.349 20 0 HEADHN CN(Cc1ccc(N2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164879021 721309156 /nfs/dbraw/zinc/30/91/56/721309156.db2.gz MKQQZGHWSRTTSB-OALUTQOASA-N 0 3 412.559 2.433 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164890889 721379209 /nfs/dbraw/zinc/37/92/09/721379209.db2.gz OWNYUTGUZVWQLE-SIKLNZKXSA-N 0 3 402.587 2.371 20 0 HEADHN CC(=O)Nc1c(C)ccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164889555 721429078 /nfs/dbraw/zinc/42/90/78/721429078.db2.gz BNXRVMKBLPULDP-UGKGYDQZSA-N 0 3 401.555 2.114 20 0 HEADHN O=C([C@@H]1CCO[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12)N1CCCO1 ZINC001164789053 721482071 /nfs/dbraw/zinc/48/20/71/721482071.db2.gz AISSSIVKGIRLBS-AQNXPRMDSA-N 0 3 400.523 2.073 20 0 HEADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164791871 721482759 /nfs/dbraw/zinc/48/27/59/721482759.db2.gz KCXIVWGSULWLBA-ZCNNSNEGSA-N 0 3 400.523 2.071 20 0 HEADHN Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912373 721526973 /nfs/dbraw/zinc/52/69/73/721526973.db2.gz ZHYPVIAECWRDES-HIFRSBDPSA-N 0 3 402.861 2.498 20 0 HEADHN COC(=O)c1nc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909809 721536751 /nfs/dbraw/zinc/53/67/51/721536751.db2.gz RXIAGBBHEYYUSZ-HIFRSBDPSA-N 0 3 406.845 2.398 20 0 HEADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905218 721540715 /nfs/dbraw/zinc/54/07/15/721540715.db2.gz GUUVAMCUHSJBHO-RDJZCZTQSA-N 0 3 423.448 2.292 20 0 HEADHN CCOC(=O)Cc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164909166 721546357 /nfs/dbraw/zinc/54/63/57/721546357.db2.gz QUWDCKJLERGSQU-HKUYNNGSSA-N 0 3 400.454 2.063 20 0 HEADHN COC(=O)CSc1cncc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909670 721558746 /nfs/dbraw/zinc/55/87/46/721558746.db2.gz UNUYALASVZOFKR-NVXWUHKLSA-N 0 3 418.494 2.223 20 0 HEADHN COCCOC(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164903593 721564540 /nfs/dbraw/zinc/56/45/40/721564540.db2.gz CVTPYJHQPRWONA-UYAOXDASSA-N 0 3 415.465 2.366 20 0 HEADHN Cc1cnc2n1CC[N@@H+](C)C21CCN(C(F)(F)c2nc(Cl)nc3[n-]cnc32)CC1 ZINC001164917636 721819254 /nfs/dbraw/zinc/81/92/54/721819254.db2.gz GQRIUGDGPYPWIZ-UHFFFAOYSA-N 0 3 422.871 2.449 20 0 HEADHN Cc1cnc2n1CC[N@H+](C)C21CCN(C(F)(F)c2nc(Cl)nc3[n-]cnc32)CC1 ZINC001164917636 721819257 /nfs/dbraw/zinc/81/92/57/721819257.db2.gz GQRIUGDGPYPWIZ-UHFFFAOYSA-N 0 3 422.871 2.449 20 0 HEADHN O=C(CO[C@H]1CO[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)N1CCCC1 ZINC001164939557 721918725 /nfs/dbraw/zinc/91/87/25/721918725.db2.gz UPSZYWVIVRFRHF-OFNKIYASSA-N 0 3 414.550 2.054 20 0 HEADHN c1cn(-c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nn2)cn1 ZINC001164959999 722057929 /nfs/dbraw/zinc/05/79/29/722057929.db2.gz CCZSCUVOGYFAFC-UHFFFAOYSA-N 0 3 405.506 2.176 20 0 HEADHN NC(=S)Nc1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164962198 722061421 /nfs/dbraw/zinc/06/14/21/722061421.db2.gz POQWEDWDZRMUTL-UHFFFAOYSA-N 0 3 412.563 2.251 20 0 HEADHN C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164975604 722120493 /nfs/dbraw/zinc/12/04/93/722120493.db2.gz JZASBJGFCDKGLM-KBAYOESNSA-N 0 3 408.506 2.045 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983758 722127280 /nfs/dbraw/zinc/12/72/80/722127280.db2.gz ZYFSJIUTYQHDFJ-YJBOKZPZSA-N 0 3 413.909 2.101 20 0 HEADHN c1coc(CN=c2ccnc([C@@H]3COCCN3)n2-c2ncccc2CN2CCCC2)c1 ZINC001164983011 722173488 /nfs/dbraw/zinc/17/34/88/722173488.db2.gz AWYXKVNHJKGRBU-FQEVSTJZSA-N 0 3 420.517 2.218 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)[C@H]2CCN(CC)[C@H](C)C2)c(=O)[nH]c1=O ZINC000769655479 1078491707 /nfs/dbraw/zinc/49/17/07/1078491707.db2.gz ANJHEVXFLQBPBY-CVEARBPZSA-N 0 3 414.572 2.023 20 0 HEADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000769895785 1078617284 /nfs/dbraw/zinc/61/72/84/1078617284.db2.gz GXCZFUKKLNPVAM-MRXNPFEDSA-N 0 3 417.959 2.304 20 0 HEADHN C[C@H](NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919586 1078635016 /nfs/dbraw/zinc/63/50/16/1078635016.db2.gz ACSNJHSZHSJZBZ-WMZOPIPTSA-N 0 3 424.586 2.177 20 0 HEADHN COCCN1CCC(NC(=O)N[C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000745780009 1078639737 /nfs/dbraw/zinc/63/97/37/1078639737.db2.gz GWQHIFFPTUOUGQ-FUHWJXTLSA-N 0 3 412.575 2.480 20 0 HEADHN CCCN(CCN(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O ZINC000769959666 1078652468 /nfs/dbraw/zinc/65/24/68/1078652468.db2.gz QJKYWFZDVAYVGP-IBGZPJMESA-N 0 3 412.893 2.046 20 0 HEADHN CN(C)C(=O)C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c2ccc(Cl)cc21 ZINC000745803234 1078653418 /nfs/dbraw/zinc/65/34/18/1078653418.db2.gz QNUZUAAAJQPNRQ-DJIMGWMZSA-N 0 3 420.941 2.295 20 0 HEADHN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000745803812 1078654034 /nfs/dbraw/zinc/65/40/34/1078654034.db2.gz WMSWHNSWWBMPQK-KBPBESRZSA-N 0 3 413.421 2.021 20 0 HEADHN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000770047387 1078703485 /nfs/dbraw/zinc/70/34/85/1078703485.db2.gz JDEQDNYCMPXAMI-BEFAXECRSA-N 0 3 405.520 2.290 20 0 HEADHN CC(=O)Nc1ccc(OC[C@H](O)CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745944126 1078708622 /nfs/dbraw/zinc/70/86/22/1078708622.db2.gz PGRKNRMSCAOCCB-QZTJIDSGSA-N 0 3 407.511 2.326 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000746036217 1078737959 /nfs/dbraw/zinc/73/79/59/1078737959.db2.gz MFIJSFLSMGDIQK-LSDHHAIUSA-N 0 3 417.901 2.178 20 0 HEADHN CCOC(=O)C1C(CNC(C)(C)CC(=O)OC)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000770191046 1078753610 /nfs/dbraw/zinc/75/36/10/1078753610.db2.gz KWTALCQFDHSQSM-KRWDZBQOSA-N 0 3 423.897 2.442 20 0 HEADHN COc1ccc(OC)c([C@@H](O)CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746045199 1078755450 /nfs/dbraw/zinc/75/54/50/1078755450.db2.gz HUSJHIBJLODYIV-KUHUBIRLSA-N 0 3 408.520 2.338 20 0 HEADHN COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049466 1078758132 /nfs/dbraw/zinc/75/81/32/1078758132.db2.gz QARQQWGFDIPBAI-VLIAUNLRSA-N 0 3 408.520 2.338 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000770172101 1078767793 /nfs/dbraw/zinc/76/77/93/1078767793.db2.gz FXMWMIYRFDZPMT-ICSRJNTNSA-N 0 3 418.582 2.437 20 0 HEADHN COC(=O)c1cc(F)c(Br)c(S(=O)(=O)N2CCC[C@H](N(C)C)C2)c1 ZINC000770247965 1078810525 /nfs/dbraw/zinc/81/05/25/1078810525.db2.gz XECBIUFCEZFXAI-NSHDSACASA-N 0 3 423.304 2.090 20 0 HEADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC000746224825 1078826259 /nfs/dbraw/zinc/82/62/59/1078826259.db2.gz JPDMIFKCAFMGFG-PKTZIBPZSA-N 0 3 421.541 2.217 20 0 HEADHN COc1ccc(NC(=O)OC(C)(C)C)c(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000746209943 1078819225 /nfs/dbraw/zinc/81/92/25/1078819225.db2.gz FRBRQENRLFRGDC-CQSZACIVSA-N 0 3 420.510 2.391 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(Br)cc1F ZINC000770405270 1078843751 /nfs/dbraw/zinc/84/37/51/1078843751.db2.gz ZKLAYZCOKCJQCL-CYBMUJFWSA-N 0 3 401.324 2.413 20 0 HEADHN COC(=O)C1(C)CCC(N2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccco3)C2)CC1 ZINC001168779196 1078856970 /nfs/dbraw/zinc/85/69/70/1078856970.db2.gz BCHQTOKLJKYSHE-MONMSZEFSA-N 0 3 404.507 2.499 20 0 HEADHN CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746359021 1078874034 /nfs/dbraw/zinc/87/40/34/1078874034.db2.gz IDQRFDKOUIWZNO-QGZVFWFLSA-N 0 3 408.506 2.125 20 0 HEADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)Cc1cccc(F)c1 ZINC000053778831 1078878973 /nfs/dbraw/zinc/87/89/73/1078878973.db2.gz WTURYROUBOQMBY-UHFFFAOYSA-N 0 3 408.495 2.357 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](NC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000770522709 1078883500 /nfs/dbraw/zinc/88/35/00/1078883500.db2.gz PHYXDXWXSSGECP-BZSNNMDCSA-N 0 3 410.559 2.232 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000770588272 1078898242 /nfs/dbraw/zinc/89/82/42/1078898242.db2.gz OAMLGRQIZHXJJA-KRWDZBQOSA-N 0 3 413.607 2.205 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000770589329 1078898644 /nfs/dbraw/zinc/89/86/44/1078898644.db2.gz HZVTUGLTUKZAJZ-ROUUACIJSA-N 0 3 411.591 2.101 20 0 HEADHN CCN1CCN(CCCNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766351159 1078898769 /nfs/dbraw/zinc/89/87/69/1078898769.db2.gz NXQZGAXQWPFBGC-NRFANRHFSA-N 0 3 416.566 2.179 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000770603215 1078912151 /nfs/dbraw/zinc/91/21/51/1078912151.db2.gz HECZLMJTMGNMMU-PGRDOPGGSA-N 0 3 423.602 2.055 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000770607280 1078913533 /nfs/dbraw/zinc/91/35/33/1078913533.db2.gz PLXDQNXMQZURRF-KURKYZTESA-N 0 3 411.591 2.052 20 0 HEADHN COC(=O)/C=C1\SCC(=O)N1CCCNC(C)(C)c1nc2ccccc2n1C ZINC000770663470 1078924279 /nfs/dbraw/zinc/92/42/79/1078924279.db2.gz FWVNVFZYMFMPSR-ATVHPVEESA-N 0 3 402.520 2.378 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CCN1CCOC ZINC000766381189 1078930072 /nfs/dbraw/zinc/93/00/72/1078930072.db2.gz RRDPLVJEVPNPMW-UGKGYDQZSA-N 0 3 402.539 2.234 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)CCN1CCOC ZINC000766383167 1078931777 /nfs/dbraw/zinc/93/17/77/1078931777.db2.gz WZACKDYILOJTBX-NFBKMPQASA-N 0 3 401.551 2.402 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)CCN1CCOC ZINC000766383351 1078933266 /nfs/dbraw/zinc/93/32/66/1078933266.db2.gz YHJVXLUHEXJNQC-CTDFXDFQSA-N 0 3 400.523 2.312 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CCN1CCOC ZINC000766372961 1078938619 /nfs/dbraw/zinc/93/86/19/1078938619.db2.gz DSSDWTNRHFXERL-RXVVDRJESA-N 0 3 422.957 2.497 20 0 HEADHN C[C@@H]1CN(Cn2nc(N3CCOCC3)n(C)c2=S)[C@H](C)CN1Cc1ccccc1 ZINC000766373260 1078941123 /nfs/dbraw/zinc/94/11/23/1078941123.db2.gz FQKZJYGUUPSXKW-QZTJIDSGSA-N 0 3 416.595 2.340 20 0 HEADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766402932 1078954214 /nfs/dbraw/zinc/95/42/14/1078954214.db2.gz AEENFFYBCPZLSD-OAQYLSRUSA-N 0 3 416.566 2.131 20 0 HEADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC[C@H](c3nncn3C(C)C)C2)cc1 ZINC000746452355 1078981904 /nfs/dbraw/zinc/98/19/04/1078981904.db2.gz STXHTGRUJOYHFR-ROUUACIJSA-N 0 3 402.495 2.265 20 0 HEADHN Cn1ncc(NC(=O)C(=O)N2CCCN(CCCc3ccccc3)CC2)c1C1CC1 ZINC000770733570 1078994323 /nfs/dbraw/zinc/99/43/23/1078994323.db2.gz IUCJQAMYLHQFJC-UHFFFAOYSA-N 0 3 409.534 2.403 20 0 HEADHN CC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H](O)c1ccccc1 ZINC000770749582 1079005381 /nfs/dbraw/zinc/00/53/81/1079005381.db2.gz FZNCGOYNDITYOL-FGZHOGPDSA-N 0 3 424.545 2.395 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000746476165 1079029973 /nfs/dbraw/zinc/02/99/73/1079029973.db2.gz RSKJSJYDWVYJDD-SJORKVTESA-N 0 3 401.573 2.133 20 0 HEADHN COC(=O)[C@H](CN[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168818903 1079051726 /nfs/dbraw/zinc/05/17/26/1079051726.db2.gz UFGXHTORNHAHTI-MJBXVCDLSA-N 0 3 401.504 2.040 20 0 HEADHN C[C@@H]1C[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168862072 1079056820 /nfs/dbraw/zinc/05/68/20/1079056820.db2.gz COCMOMUHMIBXKE-HIFRSBDPSA-N 0 3 403.527 2.239 20 0 HEADHN COc1ccc(CN2CC[C@@H](NCc3ccc(N4CCCNC4=O)nc3)CC2=O)cc1 ZINC001168913922 1079074730 /nfs/dbraw/zinc/07/47/30/1079074730.db2.gz BNBYYCQCOOWXSR-LJQANCHMSA-N 0 3 423.517 2.291 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(CC(=O)OC(C)(C)C)CC3)CC2=O)cc1 ZINC001168943575 1079081777 /nfs/dbraw/zinc/08/17/77/1079081777.db2.gz XDSLTFWIXAVWRS-LJQANCHMSA-N 0 3 417.550 2.146 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCC[C@@H](NC(=O)c4ccccn4)C3)CC2=O)cc1 ZINC001168952008 1079085192 /nfs/dbraw/zinc/08/51/92/1079085192.db2.gz BSPKVDZIADKUJC-WOJBJXKFSA-N 0 3 422.529 2.476 20 0 HEADHN CSc1ccc([C@H](O)[C@H](CO)Nc2cncc(OCCN3CCCC3)n2)cc1 ZINC001169087515 1079137224 /nfs/dbraw/zinc/13/72/24/1079137224.db2.gz AYVBSSURPRLEBC-PXNSSMCTSA-N 0 3 404.536 2.180 20 0 HEADHN CC(C)[N@@H+]1CC[C@@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@@H](c2cnn(C)c2)C1 ZINC001169084517 1079133724 /nfs/dbraw/zinc/13/37/24/1079133724.db2.gz NGWQNICYDBSCHM-RTBURBONSA-N 0 3 412.538 2.314 20 0 HEADHN CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@@H](c2cnn(C)c2)C1 ZINC001169084517 1079133730 /nfs/dbraw/zinc/13/37/30/1079133730.db2.gz NGWQNICYDBSCHM-RTBURBONSA-N 0 3 412.538 2.314 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nc(C4CC4)cs3)cc2)CC1 ZINC000766598863 1079145637 /nfs/dbraw/zinc/14/56/37/1079145637.db2.gz VRLZPVZCVIMUEG-UHFFFAOYSA-N 0 3 413.547 2.417 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 ZINC001169112203 1079159834 /nfs/dbraw/zinc/15/98/34/1079159834.db2.gz NKSDAHQOOHLAKU-LJQANCHMSA-N 0 3 413.522 2.381 20 0 HEADHN COC(=O)[C@](C)(N)Cc1cn(-c2ccc(C(=O)N3CCNCC3)cc2)c2ccccc12 ZINC001169114589 1079162262 /nfs/dbraw/zinc/16/22/62/1079162262.db2.gz DAKAPBHFCFCRJM-XMMPIXPASA-N 0 3 420.513 2.109 20 0 HEADHN COc1ccc(CNC(=O)Cc2noc([C@@]3(O)CCN(Cc4ccccc4)C3)n2)cc1 ZINC000771164475 1079179883 /nfs/dbraw/zinc/17/98/83/1079179883.db2.gz ZNADWZPQRCDDPJ-HSZRJFAPSA-N 0 3 422.485 2.031 20 0 HEADHN Cc1nc([C@H](C)N[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169961 1079185481 /nfs/dbraw/zinc/18/54/81/1079185481.db2.gz QQEIWQYTEVGIPQ-STQMWFEESA-N 0 3 404.540 2.108 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000771136057 1079187417 /nfs/dbraw/zinc/18/74/17/1079187417.db2.gz YSVWRVRXLVSCKE-GBESFXJTSA-N 0 3 403.571 2.448 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1nc2ccccc2o1 ZINC001169206244 1079195831 /nfs/dbraw/zinc/19/58/31/1079195831.db2.gz HXPLHOFJZPZPNN-OAHLLOKOSA-N 0 3 424.505 2.266 20 0 HEADHN CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000804314008 1079221565 /nfs/dbraw/zinc/22/15/65/1079221565.db2.gz DXAWMVMGKOAVMY-PMACEKPBSA-N 0 3 414.550 2.027 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N[C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169346056 1079233521 /nfs/dbraw/zinc/23/35/21/1079233521.db2.gz DACWCZZWWGFUSO-YSVLISHTSA-N 0 3 402.447 2.129 20 0 HEADHN CCOC(=O)N1CC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000771287008 1079241014 /nfs/dbraw/zinc/24/10/14/1079241014.db2.gz KJULLPOVCGGLJC-HKUYNNGSSA-N 0 3 404.511 2.362 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)CO1 ZINC001169388780 1079259011 /nfs/dbraw/zinc/25/90/11/1079259011.db2.gz QFINJPBJNQTPDD-ROUUACIJSA-N 0 3 421.563 2.377 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169398944 1079272570 /nfs/dbraw/zinc/27/25/70/1079272570.db2.gz UBLCGOOKGUXZTD-BMQTXXJKSA-N 0 3 422.547 2.212 20 0 HEADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(CCN(C)C)c2ccccc2)C1=O ZINC000771312514 1079279480 /nfs/dbraw/zinc/27/94/80/1079279480.db2.gz OHYSZGUKSJXCMA-QHCPKHFHSA-N 0 3 424.501 2.057 20 0 HEADHN CCN(CC)C(=O)C[C@H](C)N1CC[C@H]2C(=O)N(Cc3csc(C)n3)CCO[C@H]2C1 ZINC001169473975 1079312026 /nfs/dbraw/zinc/31/20/26/1079312026.db2.gz HOFDQQIYAHCBCE-IPELMVKDSA-N 0 3 422.595 2.148 20 0 HEADHN CC(=O)N1CCC[C@H](N2CCOC[C@@]3(C[C@H](CNc4cccc(F)c4)CO3)C2)C1 ZINC001169605568 1079342633 /nfs/dbraw/zinc/34/26/33/1079342633.db2.gz LBGIJLYZYGWLRJ-BVYCBKJFSA-N 0 3 405.514 2.356 20 0 HEADHN CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC001169603690 1079341649 /nfs/dbraw/zinc/34/16/49/1079341649.db2.gz DCPDBEVFMQADIB-QUCCMNQESA-N 0 3 408.564 2.119 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1sccc1NC(=O)c1ccncc1 ZINC000771580993 1079379505 /nfs/dbraw/zinc/37/95/05/1079379505.db2.gz ACQCLQPSAKBJST-MRXNPFEDSA-N 0 3 400.504 2.379 20 0 HEADHN O=C(CCNS(=O)(=O)c1ccc(F)cc1)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771600286 1079391772 /nfs/dbraw/zinc/39/17/72/1079391772.db2.gz WVRHJSVFHPPQPH-GOSISDBHSA-N 0 3 406.479 2.312 20 0 HEADHN O=C(NC1CCC1)c1nn([C@@H]2CCCN(C(=O)c3ccccc3)C2)c2c1CNCC2 ZINC001169775173 1079396532 /nfs/dbraw/zinc/39/65/32/1079396532.db2.gz ZZCQWRFWKODLRR-GOSISDBHSA-N 0 3 407.518 2.288 20 0 HEADHN O=C(CCNS(=O)(=O)c1ccc(F)cc1)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000771614806 1079398149 /nfs/dbraw/zinc/39/81/49/1079398149.db2.gz WVRHJSVFHPPQPH-SFHVURJKSA-N 0 3 406.479 2.312 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@@H](N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)C1 ZINC001169771270 1079404844 /nfs/dbraw/zinc/40/48/44/1079404844.db2.gz GZCZBFTZUKPPMM-OAQYLSRUSA-N 0 3 411.546 2.395 20 0 HEADHN O=C(N[C@@H]1CN([C@@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001169773079 1079408778 /nfs/dbraw/zinc/40/87/78/1079408778.db2.gz UTZXNAVFUDVPDI-CBPXPLCBSA-N 0 3 411.546 2.297 20 0 HEADHN CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C ZINC000771655951 1079426194 /nfs/dbraw/zinc/42/61/94/1079426194.db2.gz TVHHMDQXDSDENC-JTSKRJEESA-N 0 3 424.586 2.225 20 0 HEADHN Cc1cccc(C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1NC(=O)c1ccncc1 ZINC000771656701 1079427539 /nfs/dbraw/zinc/42/75/39/1079427539.db2.gz GGBPHMNIYQHCFH-SFHVURJKSA-N 0 3 409.534 2.398 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000771658336 1079427794 /nfs/dbraw/zinc/42/77/94/1079427794.db2.gz RGNKBQZPKRJQOJ-HNNXBMFYSA-N 0 3 414.472 2.096 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771659471 1079430608 /nfs/dbraw/zinc/43/06/08/1079430608.db2.gz GDQBAYXTFNXHSB-QFIPXVFZSA-N 0 3 424.586 2.179 20 0 HEADHN Cc1cccc(C2N=NC(=S)N2CC(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000771661223 1079430892 /nfs/dbraw/zinc/43/08/92/1079430892.db2.gz OFCQHFBWJFIZBL-UHFFFAOYSA-N 0 3 416.595 2.075 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000771662964 1079432820 /nfs/dbraw/zinc/43/28/20/1079432820.db2.gz IGLGVPXNSGJPKO-UHFFFAOYSA-N 0 3 421.485 2.126 20 0 HEADHN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169884148 1079457824 /nfs/dbraw/zinc/45/78/24/1079457824.db2.gz YIZSMAUQDWNHRA-NYLDSWQDSA-N 0 3 421.607 2.493 20 0 HEADHN COCCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(S(C)(=O)=O)CC1 ZINC001169897243 1079468283 /nfs/dbraw/zinc/46/82/83/1079468283.db2.gz MXLGEFFTGCNJEF-AQFXKWCLSA-N 0 3 404.573 2.300 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)c2nc(-c3ccccc3F)oc2C)CC1 ZINC000737837804 1075935696 /nfs/dbraw/zinc/93/56/96/1075935696.db2.gz KQQTWXHSFSPNSE-UHFFFAOYSA-N 0 3 402.470 2.415 20 0 HEADHN CCN(CC)C(=O)c1cccnc1N1CCN([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169956930 1079493259 /nfs/dbraw/zinc/49/32/59/1079493259.db2.gz AZLWWXZSURYXEP-GOSISDBHSA-N 0 3 402.539 2.371 20 0 HEADHN CCCN(Cn1cc(S(=O)(=O)N(C)C)cn1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000738041803 1075955773 /nfs/dbraw/zinc/95/57/73/1075955773.db2.gz PBCWWQUNCDWUTM-FQEVSTJZSA-N 0 3 419.595 2.468 20 0 HEADHN Cn1c(=O)cc(Nc2nc(CN)ccc2NC(=O)C(C)(C)C)n(-c2ccccc2)c1=O ZINC001169958821 1079494575 /nfs/dbraw/zinc/49/45/75/1079494575.db2.gz SNASRHBGMLLYON-UHFFFAOYSA-N 0 3 422.489 2.118 20 0 HEADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H](n2ccnc2)C1 ZINC000738147954 1075968692 /nfs/dbraw/zinc/96/86/92/1075968692.db2.gz HEWOHIXYDOOOMP-REWPJTCUSA-N 0 3 422.533 2.064 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1Cn1c2cc(S(=O)(=O)N(C)C)ccc2oc1=S ZINC000738285725 1075979409 /nfs/dbraw/zinc/97/94/09/1075979409.db2.gz NOHNFHCSQBATOL-MRXNPFEDSA-N 0 3 412.581 2.444 20 0 HEADHN Cc1ccc(OC[C@H](O)CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000738326851 1075980560 /nfs/dbraw/zinc/98/05/60/1075980560.db2.gz POMLWHOKCSQKRD-LJQANCHMSA-N 0 3 407.555 2.219 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN(C)CC(=O)NCc3ccccc3)cc2)CC1 ZINC000738335929 1075984083 /nfs/dbraw/zinc/98/40/83/1075984083.db2.gz VFGXKRWDIPQDFJ-UHFFFAOYSA-N 0 3 423.561 2.015 20 0 HEADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739090306 1076043490 /nfs/dbraw/zinc/04/34/90/1076043490.db2.gz UAOXECFPZXERGP-KSZLIROESA-N 0 3 402.539 2.229 20 0 HEADHN NC(=O)[C@@H]1CC(C(=O)N(CCN2CCCC2)c2ccccc2)=NN1c1ccccc1 ZINC000739648766 1076069214 /nfs/dbraw/zinc/06/92/14/1076069214.db2.gz HXAYYRDUWSTTIA-NRFANRHFSA-N 0 3 405.502 2.236 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@](C)(O)c3cccs3)cc2)CC1 ZINC000740032947 1076097542 /nfs/dbraw/zinc/09/75/42/1076097542.db2.gz JCDVYFYTQJQHOR-OAQYLSRUSA-N 0 3 402.564 2.202 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccsc2)CC1 ZINC000740032977 1076097813 /nfs/dbraw/zinc/09/78/13/1076097813.db2.gz JNTQKKSYYRTIRY-HXUWFJFHSA-N 0 3 402.564 2.418 20 0 HEADHN CCN1C[C@@H](C)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@H]1C ZINC000766250693 1076150921 /nfs/dbraw/zinc/15/09/21/1076150921.db2.gz AKLFUIGKWSHBRJ-IAGOWNOFSA-N 0 3 404.530 2.091 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OCCC(C)C ZINC000740493150 1076172337 /nfs/dbraw/zinc/17/23/37/1076172337.db2.gz ALORDZKIULQEDF-RBUKOAKNSA-N 0 3 403.523 2.338 20 0 HEADHN COC(=O)Nc1ccc(CNC(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)cc1 ZINC000766255442 1076228201 /nfs/dbraw/zinc/22/82/01/1076228201.db2.gz AUSUJSRWJQWZKP-MRXNPFEDSA-N 0 3 412.494 2.356 20 0 HEADHN CC(C)OCCCN(C)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000740856224 1076269152 /nfs/dbraw/zinc/26/91/52/1076269152.db2.gz BOIZQSDBQZIGOW-QFIPXVFZSA-N 0 3 402.539 2.277 20 0 HEADHN Cc1c(C(=O)NC[C@@](C)(O)c2ccsc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000740936106 1076314809 /nfs/dbraw/zinc/31/48/09/1076314809.db2.gz HFGRJANIUJVLHA-OAQYLSRUSA-N 0 3 411.531 2.263 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@H](O)c1ccccc1Cl ZINC000741104228 1076377166 /nfs/dbraw/zinc/37/71/66/1076377166.db2.gz GNTUTRJBLYWUNQ-KRWDZBQOSA-N 0 3 405.882 2.199 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2cccc(OC)c2)N(CC)CC)CCO1 ZINC000741268140 1076437924 /nfs/dbraw/zinc/43/79/24/1076437924.db2.gz DNKCYENEBGBHGF-RTBURBONSA-N 0 3 407.511 2.052 20 0 HEADHN Cc1ccc([C@H](O)CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)o1 ZINC000741272497 1076439600 /nfs/dbraw/zinc/43/96/00/1076439600.db2.gz ZVSWZLSCEWCLPI-HXUWFJFHSA-N 0 3 400.523 2.129 20 0 HEADHN O=C(NCc1nc(Cc2ccccc2)no1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000741412482 1076514529 /nfs/dbraw/zinc/51/45/29/1076514529.db2.gz PLWMYNMULRPLFG-QHCPKHFHSA-N 0 3 421.501 2.097 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3)C[C@H](C)O)cc2)CC1 ZINC000741424651 1076534302 /nfs/dbraw/zinc/53/43/02/1076534302.db2.gz GJEDBCWFOIWTGE-IBGZPJMESA-N 0 3 424.545 2.177 20 0 HEADHN COC(=O)N(C)CCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000741611630 1076565626 /nfs/dbraw/zinc/56/56/26/1076565626.db2.gz NAWGBTZBLDDETM-SFHVURJKSA-N 0 3 404.511 2.270 20 0 HEADHN CCc1nc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)nn1-c1ccccc1F ZINC000741691601 1076588243 /nfs/dbraw/zinc/58/82/43/1076588243.db2.gz AUVGYTQATGBRQF-MRXNPFEDSA-N 0 3 401.486 2.342 20 0 HEADHN C[C@]1(c2ccc(Br)cc2)CC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742164462 1076761205 /nfs/dbraw/zinc/76/12/05/1076761205.db2.gz ZZHXQRAWRDKVNS-FXAWDEMLSA-N 0 3 418.335 2.369 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)C1 ZINC000742275276 1076808285 /nfs/dbraw/zinc/80/82/85/1076808285.db2.gz MRKJYVSLLBWLRS-QUCCMNQESA-N 0 3 421.563 2.191 20 0 HEADHN COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000742304547 1076812935 /nfs/dbraw/zinc/81/29/35/1076812935.db2.gz IKPIQRSHYORVPT-BXUZGUMPSA-N 0 3 419.341 2.196 20 0 HEADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000742304390 1076813116 /nfs/dbraw/zinc/81/31/16/1076813116.db2.gz FPVYDQCJTAXERA-YLJYHZDGSA-N 0 3 423.579 2.389 20 0 HEADHN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000742598110 1076854669 /nfs/dbraw/zinc/85/46/69/1076854669.db2.gz DEAAJFHEDNNNJV-HOTGVXAUSA-N 0 3 411.531 2.448 20 0 HEADHN C[C@@H](CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000742671761 1076863515 /nfs/dbraw/zinc/86/35/15/1076863515.db2.gz YFNWIQUSBSNWIZ-ICSRJNTNSA-N 0 3 418.582 2.295 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000742834076 1076885413 /nfs/dbraw/zinc/88/54/13/1076885413.db2.gz JEOVLHWFDRBHOI-SFHVURJKSA-N 0 3 410.603 2.413 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)cc2)CC1 ZINC000743079589 1076945417 /nfs/dbraw/zinc/94/54/17/1076945417.db2.gz QWRRBNKSLSRZPR-LJQANCHMSA-N 0 3 411.554 2.353 20 0 HEADHN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000743235758 1077010500 /nfs/dbraw/zinc/01/05/00/1077010500.db2.gz CHPOYYHMPMJEHO-OAHLLOKOSA-N 0 3 413.927 2.241 20 0 HEADHN CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000743271636 1077021305 /nfs/dbraw/zinc/02/13/05/1077021305.db2.gz JDNZTPJPRWAXMF-NRFANRHFSA-N 0 3 415.582 2.100 20 0 HEADHN CC(=O)Nc1cc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)c(F)cc1F ZINC000743382730 1077037612 /nfs/dbraw/zinc/03/76/12/1077037612.db2.gz YWHIROXIGZUGDH-UHFFFAOYSA-N 0 3 418.444 2.452 20 0 HEADHN Cc1nccn1-c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)cn1 ZINC000743414440 1077049993 /nfs/dbraw/zinc/04/99/93/1077049993.db2.gz XHPJCIMFGGBVFK-LJQANCHMSA-N 0 3 406.490 2.242 20 0 HEADHN CCOC(=O)N1CCC(NC(=O)CN2CC[C@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000743872468 1077156521 /nfs/dbraw/zinc/15/65/21/1077156521.db2.gz YHMWLQBOXDLSGG-IBGZPJMESA-N 0 3 416.566 2.320 20 0 HEADHN Cc1c(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)cccc1N1CCOC1=O ZINC000743877821 1077161195 /nfs/dbraw/zinc/16/11/95/1077161195.db2.gz VARLYNXFQDLUHS-UHFFFAOYSA-N 0 3 402.495 2.271 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3sc(C)nc3C)cc2)CC1 ZINC000743940980 1077234806 /nfs/dbraw/zinc/23/48/06/1077234806.db2.gz OSHQYYAORMPRSO-UHFFFAOYSA-N 0 3 401.536 2.157 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000743979611 1077292399 /nfs/dbraw/zinc/29/23/99/1077292399.db2.gz HTDQKOJEBLZSJQ-MRXNPFEDSA-N 0 3 410.522 2.211 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000743979444 1077292475 /nfs/dbraw/zinc/29/24/75/1077292475.db2.gz UADYUQBKFMCCQZ-CYBMUJFWSA-N 0 3 409.412 2.430 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 ZINC000743982835 1077295304 /nfs/dbraw/zinc/29/53/04/1077295304.db2.gz QTRAYSMLCHGDOB-CQSZACIVSA-N 0 3 406.914 2.115 20 0 HEADHN CNC(=O)[C@]12CN(Cc3cc(OC)ccc3Cl)C[C@H]1N(c1ncccn1)CCC2 ZINC001137263414 1077398306 /nfs/dbraw/zinc/39/83/06/1077398306.db2.gz NPNODYSMLFBQDX-WIYYLYMNSA-N 0 3 415.925 2.356 20 0 HEADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)CSc1nncn1C ZINC000771787416 1079506196 /nfs/dbraw/zinc/50/61/96/1079506196.db2.gz UEASATRQHFALHK-QGZVFWFLSA-N 0 3 411.535 2.498 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@H]1C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000771762541 1079515605 /nfs/dbraw/zinc/51/56/05/1079515605.db2.gz MKVJBVMBFPVEDW-DNVJHFABSA-N 0 3 411.546 2.230 20 0 HEADHN O=C(NC[C@H]1CCCO1)Nc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000771843638 1079533519 /nfs/dbraw/zinc/53/35/19/1079533519.db2.gz ODCXQMGLXZUTQY-CHWSQXEVSA-N 0 3 400.357 2.364 20 0 HEADHN CCOC(=O)C1=C(CN[C@@H](CCO)C2CC2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000771802918 1079537437 /nfs/dbraw/zinc/53/74/37/1079537437.db2.gz YVHICGWXMPZDJN-MAUKXSAKSA-N 0 3 407.898 2.262 20 0 HEADHN CCO[C@H]1C[C@@]2(NC(=O)N(c3ccc(N4CCN(CC)CC4)cc3)C2=O)C1(C)C ZINC000771828925 1079550917 /nfs/dbraw/zinc/55/09/17/1079550917.db2.gz SWQNWDGJZPBXDB-AVRDEDQJSA-N 0 3 400.523 2.459 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N1CCc2sc(Br)cc2C1 ZINC000771975683 1079618743 /nfs/dbraw/zinc/61/87/43/1079618743.db2.gz DYPCDHCDTWBENO-STQMWFEESA-N 0 3 400.342 2.442 20 0 HEADHN CCCCC[C@H](C)NC(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767144215 1079678986 /nfs/dbraw/zinc/67/89/86/1079678986.db2.gz OOXICKRKEIHUDP-JTSKRJEESA-N 0 3 400.523 2.268 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(I)c(F)cc1F ZINC000772068794 1079707079 /nfs/dbraw/zinc/70/70/79/1079707079.db2.gz CCNDQQVUMWCSIG-UWVGGRQHSA-N 0 3 422.213 2.162 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)c3cc(C)ccc3S(N)(=O)=O)cc2)CC1 ZINC000767197588 1079732269 /nfs/dbraw/zinc/73/22/69/1079732269.db2.gz RHIWYJSGKSMTKJ-UHFFFAOYSA-N 0 3 402.520 2.037 20 0 HEADHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000772353930 1079813419 /nfs/dbraw/zinc/81/34/19/1079813419.db2.gz FVHCQRAVSPZHSP-HOJAQTOUSA-N 0 3 409.534 2.318 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C2CC2)C1 ZINC000772602120 1080003245 /nfs/dbraw/zinc/00/32/45/1080003245.db2.gz SUPIZIYUYIMDGX-RCCFBDPRSA-N 0 3 408.543 2.033 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CNC(C)(C)C(=O)NCC(C)(C)C)cc2)CC1 ZINC000767670259 1080018052 /nfs/dbraw/zinc/01/80/52/1080018052.db2.gz BDLCLPRTJMPHKD-UHFFFAOYSA-N 0 3 417.598 2.298 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000746485601 1080038246 /nfs/dbraw/zinc/03/82/46/1080038246.db2.gz YVLTYUHXPUIASM-MRXNPFEDSA-N 0 3 412.559 2.481 20 0 HEADHN C[C@@H](CNC(=O)C(=O)N[C@H](c1nccn1C)c1ccc(Cl)cc1)N1CCCCC1 ZINC000785581858 1080059769 /nfs/dbraw/zinc/05/97/69/1080059769.db2.gz BPTHLDFNAXOMIE-YJBOKZPZSA-N 0 3 417.941 2.270 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)c(F)cc2F)CC1=O ZINC000785650017 1080099108 /nfs/dbraw/zinc/09/91/08/1080099108.db2.gz ACYGVHKYCPPTDE-LSDHHAIUSA-N 0 3 408.445 2.332 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1=O ZINC000785652787 1080109592 /nfs/dbraw/zinc/10/95/92/1080109592.db2.gz NQNCGOAEUDAGIQ-HRCADAONSA-N 0 3 412.490 2.010 20 0 HEADHN CN(CCc1ccncc1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170048651 1080120989 /nfs/dbraw/zinc/12/09/89/1080120989.db2.gz RJKCAWCVPSILDE-MSOLQXFVSA-N 0 3 420.579 2.467 20 0 HEADHN Cc1ccc(CN2CCCN(C(=O)COC(=O)CN3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736933 1080209502 /nfs/dbraw/zinc/20/95/02/1080209502.db2.gz XYQHOAZQPTUTTQ-BGYRXZFFSA-N 0 3 401.551 2.445 20 0 HEADHN C[C@H]1CCCN(CCNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000767982193 1080247550 /nfs/dbraw/zinc/24/75/50/1080247550.db2.gz KQZNRLZADXULEO-JTQLQIEISA-N 0 3 403.708 2.284 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000785808963 1080253065 /nfs/dbraw/zinc/25/30/65/1080253065.db2.gz MTCSDLBQBBOLAF-RXVVDRJESA-N 0 3 415.534 2.499 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000785828847 1080262556 /nfs/dbraw/zinc/26/25/56/1080262556.db2.gz XRXDKKBFIZJBGW-MRXNPFEDSA-N 0 3 416.497 2.016 20 0 HEADHN O=C(CCN1CCC(Oc2cnccn2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000785896144 1080298411 /nfs/dbraw/zinc/29/84/11/1080298411.db2.gz FHKINJHRNIOHNV-UHFFFAOYSA-N 0 3 411.506 2.185 20 0 HEADHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)N(C)C ZINC000786026165 1080340101 /nfs/dbraw/zinc/34/01/01/1080340101.db2.gz SIWGKOADMICUNH-OXJNMPFZSA-N 0 3 406.490 2.322 20 0 HEADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)N(C)C ZINC000786025490 1080340125 /nfs/dbraw/zinc/34/01/25/1080340125.db2.gz OMDLZIQXDPJPPJ-UTKZUKDTSA-N 0 3 420.517 2.381 20 0 HEADHN O=C(NCCN1CCC2(CCCCC2)CC1)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000785988975 1080350512 /nfs/dbraw/zinc/35/05/12/1080350512.db2.gz VAEMBYVBFFKJGO-UHFFFAOYSA-N 0 3 424.549 2.046 20 0 HEADHN C[C@H]1C[C@H](N(C)C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CCN1C ZINC000768175058 1080386994 /nfs/dbraw/zinc/38/69/94/1080386994.db2.gz HRNBJJGKFWTTOG-XWDNEUNKSA-N 0 3 407.555 2.390 20 0 HEADHN CC(=O)N1CCC(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)CC1 ZINC000768215776 1080418695 /nfs/dbraw/zinc/41/86/95/1080418695.db2.gz YHKJRGXBTCADRF-UHFFFAOYSA-N 0 3 403.552 2.359 20 0 HEADHN C[C@@H]1[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164864 1080435299 /nfs/dbraw/zinc/43/52/99/1080435299.db2.gz BIZMKGPBYDATCX-CVEARBPZSA-N 0 3 403.527 2.417 20 0 HEADHN O=C([C@H]1CCCN(Cc2cc3ccccc3nc2N2CCOCC2)C1)N1CCOCC1 ZINC000768234462 1080435578 /nfs/dbraw/zinc/43/55/78/1080435578.db2.gz LMEXOIKBGCZOSC-FQEVSTJZSA-N 0 3 424.545 2.142 20 0 HEADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768271795 1080453723 /nfs/dbraw/zinc/45/37/23/1080453723.db2.gz LSACFIGWNNGXME-IEBWSBKVSA-N 0 3 420.554 2.351 20 0 HEADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@@]2(O)CCc3ccccc3C2)cc1 ZINC000786138076 1080460325 /nfs/dbraw/zinc/46/03/25/1080460325.db2.gz PKBSTRKCZLBBES-RUZDIDTESA-N 0 3 421.541 2.048 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000786257409 1080497377 /nfs/dbraw/zinc/49/73/77/1080497377.db2.gz PIWAIRQHRASOJK-UHFFFAOYSA-N 0 3 402.543 2.062 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@@H]2CC23CCOCC3)CC1 ZINC000786444879 1080607471 /nfs/dbraw/zinc/60/74/71/1080607471.db2.gz FPHBAYNMEQIBRU-FQEVSTJZSA-N 0 3 400.519 2.389 20 0 HEADHN C[C@@H](CN(C)S(C)(=O)=O)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000786599030 1080701827 /nfs/dbraw/zinc/70/18/27/1080701827.db2.gz GUGRITYOBBRABJ-JQWIXIFHSA-N 0 3 423.318 2.169 20 0 HEADHN C[C@@H](CN(C)S(C)(=O)=O)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000786599029 1080701861 /nfs/dbraw/zinc/70/18/61/1080701861.db2.gz GUGRITYOBBRABJ-CMPLNLGQSA-N 0 3 423.318 2.169 20 0 HEADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786604122 1080704128 /nfs/dbraw/zinc/70/41/28/1080704128.db2.gz XEVMJIMPSOURJO-GOSISDBHSA-N 0 3 415.925 2.259 20 0 HEADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786604123 1080704260 /nfs/dbraw/zinc/70/42/60/1080704260.db2.gz XEVMJIMPSOURJO-SFHVURJKSA-N 0 3 415.925 2.259 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000768726058 1080755046 /nfs/dbraw/zinc/75/50/46/1080755046.db2.gz BAOGOELMRINJEN-ZDUSSCGKSA-N 0 3 409.412 2.430 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)n1 ZINC000786719598 1080799257 /nfs/dbraw/zinc/79/92/57/1080799257.db2.gz BDOJAYXENSDMEI-QGZVFWFLSA-N 0 3 421.567 2.268 20 0 HEADHN COc1ncc(Br)cc1COC(=O)C1CC[C@@H](C(F)(F)F)NC1=O ZINC000768824780 1080813800 /nfs/dbraw/zinc/81/38/00/1080813800.db2.gz HYVVMJALTPGCTF-UWVGGRQHSA-N 0 3 411.174 2.353 20 0 HEADHN CS(=O)(=O)NCCc1ccc(C(=O)OCC2CCN(Cc3ccco3)CC2)cc1 ZINC000772688749 1080829328 /nfs/dbraw/zinc/82/93/28/1080829328.db2.gz GIJFGJYEVJAFPY-UHFFFAOYSA-N 0 3 420.531 2.440 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786939652 1080898618 /nfs/dbraw/zinc/89/86/18/1080898618.db2.gz CUSNCVPJUBQXIH-MRXNPFEDSA-N 0 3 410.559 2.281 20 0 HEADHN CN1CCN(CCCNC(=O)c2ncc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000786994863 1080906556 /nfs/dbraw/zinc/90/65/56/1080906556.db2.gz IWKJLDYOVQKXPB-KRWDZBQOSA-N 0 3 418.339 2.348 20 0 HEADHN C[C@H](CNC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)CN1CCN(C)CC1 ZINC000786978432 1080935184 /nfs/dbraw/zinc/93/51/84/1080935184.db2.gz YSHODHCNWCIOIO-QGZVFWFLSA-N 0 3 404.555 2.325 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000787035762 1080958594 /nfs/dbraw/zinc/95/85/94/1080958594.db2.gz NUNXCMIBOUJNAP-MRXNPFEDSA-N 0 3 402.495 2.038 20 0 HEADHN CCN(CC)CC(=O)N1CCN(Cc2ccccc2I)CC1 ZINC000769316607 1081040467 /nfs/dbraw/zinc/04/04/67/1081040467.db2.gz KQYCFZFRZNGTKO-UHFFFAOYSA-N 0 3 415.319 2.277 20 0 HEADHN CN(CC(=O)NC(=O)NCc1cccs1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746662172 1081054651 /nfs/dbraw/zinc/05/46/51/1081054651.db2.gz VOFKVVIQSQWGMI-UHFFFAOYSA-N 0 3 410.540 2.405 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000769336465 1081061790 /nfs/dbraw/zinc/06/17/90/1081061790.db2.gz AQTCTKGLHMZGKP-ZFWWWQNUSA-N 0 3 407.383 2.312 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)ccc1OC(C)C ZINC000787232813 1081080667 /nfs/dbraw/zinc/08/06/67/1081080667.db2.gz GXFFLDHBEUMOMG-KRWDZBQOSA-N 0 3 405.539 2.335 20 0 HEADHN COC(=O)C1=NOC2(C1)CCN([C@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 ZINC000787292325 1081095658 /nfs/dbraw/zinc/09/56/58/1081095658.db2.gz FHYJIIVDGZTXKT-SFHVURJKSA-N 0 3 421.444 2.240 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787265364 1081099469 /nfs/dbraw/zinc/09/94/69/1081099469.db2.gz ZLDNVTWCISCOPL-MAUKXSAKSA-N 0 3 410.559 2.184 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787267488 1081100642 /nfs/dbraw/zinc/10/06/42/1081100642.db2.gz UCVRJXIHRPKGIG-KSSFIOAISA-N 0 3 400.926 2.085 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(CCOCC(F)F)C1 ZINC000787272527 1081103515 /nfs/dbraw/zinc/10/35/15/1081103515.db2.gz UCDBTIORNIRBLI-CVEARBPZSA-N 0 3 419.513 2.496 20 0 HEADHN CN1CCN(c2ncc(CN(C3CC3)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530322 1081110221 /nfs/dbraw/zinc/11/02/21/1081110221.db2.gz JWDOGPHWMYHREW-LJQANCHMSA-N 0 3 416.570 2.202 20 0 HEADHN CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769590347 1081140073 /nfs/dbraw/zinc/14/00/73/1081140073.db2.gz CISGBKKVYVYVEY-QGZVFWFLSA-N 0 3 424.586 2.035 20 0 HEADHN COCCOc1cc2ncnc(N3CCN(CC(C)C)CC3)c2cc1OCCOC ZINC001164651642 719330691 /nfs/dbraw/zinc/33/06/91/719330691.db2.gz GRLXAEPSFZSRIU-UHFFFAOYSA-N 0 3 418.538 2.458 20 0 HEADHN CC(C)N(C)Cc1nn(C(F)(F)COc2cncc(Cl)n2)c2c1CCNC2 ZINC001164679641 719641447 /nfs/dbraw/zinc/64/14/47/719641447.db2.gz JTEKWELNJUMTIO-UHFFFAOYSA-N 0 3 400.861 2.441 20 0 HEADHN c1nc2c(nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2N2CCOCC2)s1 ZINC001164729268 720360686 /nfs/dbraw/zinc/36/06/86/720360686.db2.gz XSKBGWDBTBDDHO-IAGOWNOFSA-N 0 3 423.546 2.171 20 0 HEADHN CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164734757 720422227 /nfs/dbraw/zinc/42/22/27/720422227.db2.gz UEHJROMYPDVECX-MSOLQXFVSA-N 0 3 406.490 2.393 20 0 HEADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738328 720665646 /nfs/dbraw/zinc/66/56/46/720665646.db2.gz IYLHEPKYFGNXGU-HUUCEWRRSA-N 0 3 417.897 2.352 20 0 HEADHN COc1cc2nc(C)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164738979 720699933 /nfs/dbraw/zinc/69/99/33/720699933.db2.gz LSXGTBYNENFALZ-HZPDHXFCSA-N 0 3 422.489 2.087 20 0 HEADHN COc1ccccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164737197 720764084 /nfs/dbraw/zinc/76/40/84/720764084.db2.gz ANNHVMBQXJEFLG-SJORKVTESA-N 0 3 404.474 2.284 20 0 HEADHN COc1ccccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164737196 720765239 /nfs/dbraw/zinc/76/52/39/720765239.db2.gz ANNHVMBQXJEFLG-IRXDYDNUSA-N 0 3 404.474 2.284 20 0 HEADHN COC(=O)c1cc2ccccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739908 720770053 /nfs/dbraw/zinc/77/00/53/720770053.db2.gz JPOHETLICUOERJ-IRXDYDNUSA-N 0 3 405.458 2.153 20 0 HEADHN c1cc(-c2nc3c(c(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)n2)CCC3)ccn1 ZINC001164743527 720789156 /nfs/dbraw/zinc/78/91/56/720789156.db2.gz GMTXKSZVTYSYPD-QZTJIDSGSA-N 0 3 415.501 2.159 20 0 HEADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741643 720802019 /nfs/dbraw/zinc/80/20/19/720802019.db2.gz BPFAHEMEEJGBRD-HOTGVXAUSA-N 0 3 409.881 2.324 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@@H]3C2)c1 ZINC001164759375 721022554 /nfs/dbraw/zinc/02/25/54/721022554.db2.gz MACLGMBFYRVHGI-ACRUOGEOSA-N 0 3 409.534 2.086 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3C(=O)N(C)C[C@H](COCC4CC4)[C@@H]3CC2)c1 ZINC001164861049 721029723 /nfs/dbraw/zinc/02/97/23/721029723.db2.gz NIXOTOQEONPOGB-HKBOAZHASA-N 0 3 400.567 2.491 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164869115 721053618 /nfs/dbraw/zinc/05/36/18/721053618.db2.gz RPXDSNRMWIEYQB-IRXDYDNUSA-N 0 3 402.882 2.396 20 0 HEADHN CCOC(=O)c1nc2ccccc2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164763542 721083452 /nfs/dbraw/zinc/08/34/52/721083452.db2.gz FWHYOOPCMPXLBS-MSOLQXFVSA-N 0 3 420.517 2.498 20 0 HEADHN COC(=O)c1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164867620 721084267 /nfs/dbraw/zinc/08/42/67/721084267.db2.gz YUGNZRKHVQFPJU-HZPDHXFCSA-N 0 3 402.882 2.396 20 0 HEADHN COCc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164867243 721085251 /nfs/dbraw/zinc/08/52/51/721085251.db2.gz XLMBQHNHCVXFOS-QZTJIDSGSA-N 0 3 401.536 2.220 20 0 HEADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865517 721097325 /nfs/dbraw/zinc/09/73/25/721097325.db2.gz MEWVPKJQJMWIFM-RTBURBONSA-N 0 3 419.485 2.291 20 0 HEADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865712 721100850 /nfs/dbraw/zinc/10/08/50/721100850.db2.gz OUQXCTFSIKLSBN-ROUUACIJSA-N 0 3 412.490 2.142 20 0 HEADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865528 721103647 /nfs/dbraw/zinc/10/36/47/721103647.db2.gz MLBWFKGZCYVDKI-ROUUACIJSA-N 0 3 411.506 2.307 20 0 HEADHN COc1cc2ncc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164771768 721120951 /nfs/dbraw/zinc/12/09/51/721120951.db2.gz SZULIGDKZCXKSW-IRXDYDNUSA-N 0 3 408.506 2.339 20 0 HEADHN CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164767302 721141198 /nfs/dbraw/zinc/14/11/98/721141198.db2.gz MLEOUKAJGLDGPP-RDJZCZTQSA-N 0 3 418.929 2.060 20 0 HEADHN COc1cc(OC)c2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164760188 721242012 /nfs/dbraw/zinc/24/20/12/721242012.db2.gz CZBCRGMPTAWPPD-IAGOWNOFSA-N 0 3 408.506 2.339 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164766641 721258097 /nfs/dbraw/zinc/25/80/97/721258097.db2.gz VCYDBFSEMZMNQK-HLAWJBBLSA-N 0 3 410.518 2.286 20 0 HEADHN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001164874257 721309057 /nfs/dbraw/zinc/30/90/57/721309057.db2.gz BRQHEBAKNWLVNG-PMACEKPBSA-N 0 3 412.559 2.434 20 0 HEADHN CCN(C)c1cc(C)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164887854 721378592 /nfs/dbraw/zinc/37/85/92/721378592.db2.gz IRBLOXYCBNOUPG-DENIHFKCSA-N 0 3 402.587 2.007 20 0 HEADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164887706 721408853 /nfs/dbraw/zinc/40/88/53/721408853.db2.gz MMWKNZKGMLHDJX-AUSIDOKSSA-N 0 3 416.566 2.250 20 0 HEADHN COc1cc2cnc(N3CCn4cc(CN5CCN(C)CC5)nc4C3)cc2cc1OC ZINC001164796445 721520113 /nfs/dbraw/zinc/52/01/13/721520113.db2.gz YRUHAGRKVKFHRE-UHFFFAOYSA-N 0 3 422.533 2.216 20 0 HEADHN Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164912375 721526607 /nfs/dbraw/zinc/52/66/07/721526607.db2.gz ZHYPVIAECWRDES-UKRRQHHQSA-N 0 3 402.861 2.498 20 0 HEADHN COC(=O)CSc1cncc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909674 721558440 /nfs/dbraw/zinc/55/84/40/721558440.db2.gz UNUYALASVZOFKR-WBVHZDCISA-N 0 3 418.494 2.223 20 0 HEADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908044 721567590 /nfs/dbraw/zinc/56/75/90/721567590.db2.gz PMKZRUXCKIJNLF-GDBMZVCRSA-N 0 3 419.888 2.361 20 0 HEADHN CN(Cc1ccc(N2CC[C@@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164939522 721919098 /nfs/dbraw/zinc/91/90/98/721919098.db2.gz UNOFBBLRAKUNCA-NFBKMPQASA-N 0 3 414.550 2.053 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164948724 722001371 /nfs/dbraw/zinc/00/13/71/722001371.db2.gz AWDZWVFZVLZFLR-IMFGXOCKSA-N 0 3 413.547 2.300 20 0 HEADHN COc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1NC(C)C ZINC001164980671 722098987 /nfs/dbraw/zinc/09/89/87/722098987.db2.gz JXHDWFHVSZHZLP-AZUAARDMSA-N 0 3 412.538 2.428 20 0 HEADHN COC(=O)c1cc(F)c(C)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971392 722118138 /nfs/dbraw/zinc/11/81/38/722118138.db2.gz BVNMDLISAXCDSQ-XLIONFOSSA-N 0 3 414.481 2.438 20 0 HEADHN CC(C)c1nc(N(C)C)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979778 722126372 /nfs/dbraw/zinc/12/63/72/722126372.db2.gz PXLVEPZRPGRORV-RBUKOAKNSA-N 0 3 411.554 2.183 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984669 722149043 /nfs/dbraw/zinc/14/90/43/722149043.db2.gz YINWBSJNHYFQPO-HZPDHXFCSA-N 0 3 417.897 2.039 20 0 HEADHN CCOC(=O)Cc1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977105 722156281 /nfs/dbraw/zinc/15/62/81/722156281.db2.gz XAUDCWISJGBWJT-LEWJYISDSA-N 0 3 410.518 2.310 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)c1 ZINC001164989137 722187243 /nfs/dbraw/zinc/18/72/43/722187243.db2.gz HXJJWSYDFPKTEY-IRLDBZIGSA-N 0 3 414.575 2.325 20 0 HEADHN CN(CC1CCN(C)CC1)S(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000769756422 1078541497 /nfs/dbraw/zinc/54/14/97/1078541497.db2.gz SMHDPCAHMMRUKW-FQEVSTJZSA-N 0 3 423.579 2.391 20 0 HEADHN COC1CCN(C(C)(C)CNC(=O)c2nccn3c(Br)cnc23)CC1 ZINC000769783110 1078563509 /nfs/dbraw/zinc/56/35/09/1078563509.db2.gz CUYFAWLVJXROJJ-UHFFFAOYSA-N 0 3 410.316 2.111 20 0 HEADHN C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769947107 1078648587 /nfs/dbraw/zinc/64/85/87/1078648587.db2.gz SGSQYSXYOHOXHD-SJLPKXTDSA-N 0 3 424.586 2.068 20 0 HEADHN C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769947110 1078648604 /nfs/dbraw/zinc/64/86/04/1078648604.db2.gz SGSQYSXYOHOXHD-WMZOPIPTSA-N 0 3 424.586 2.068 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2)cc1 ZINC000745796495 1078651176 /nfs/dbraw/zinc/65/11/76/1078651176.db2.gz TZLHJTRPWKOJSV-FPOVZHCZSA-N 0 3 415.582 2.206 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745811613 1078656840 /nfs/dbraw/zinc/65/68/40/1078656840.db2.gz YFRSZJIXTIOJAJ-ZWKOTPCHSA-N 0 3 412.575 2.386 20 0 HEADHN C[C@H](CNC(=O)NCc1ccc(Br)cc1F)CN1CCN(C)CC1 ZINC000745813601 1078657507 /nfs/dbraw/zinc/65/75/07/1078657507.db2.gz DHSQCVPVOGXODD-CYBMUJFWSA-N 0 3 401.324 2.271 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000745861761 1078677643 /nfs/dbraw/zinc/67/76/43/1078677643.db2.gz FFQUGYHGZWQKFZ-TZIWHRDSSA-N 0 3 415.582 2.063 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000745861759 1078677661 /nfs/dbraw/zinc/67/76/61/1078677661.db2.gz PDDSNMZGSMJPJQ-WMLDXEAASA-N 0 3 400.926 2.085 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000745862928 1078678135 /nfs/dbraw/zinc/67/81/35/1078678135.db2.gz QGSSEEXQMRIKKC-KNQAVFIVSA-N 0 3 402.583 2.415 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cnc(NC)s3)cc2)CC1 ZINC000770035226 1078698875 /nfs/dbraw/zinc/69/88/75/1078698875.db2.gz HGHZYJWHKGVFNE-UHFFFAOYSA-N 0 3 403.508 2.122 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H](c4nccn4C)C3)cc2)CC1 ZINC000770037581 1078699406 /nfs/dbraw/zinc/69/94/06/1078699406.db2.gz ABLVWBYUNQROQJ-LJQANCHMSA-N 0 3 410.566 2.380 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745945196 1078709622 /nfs/dbraw/zinc/70/96/22/1078709622.db2.gz SSJGDLOGQNFFQO-DLBZAZTESA-N 0 3 408.495 2.154 20 0 HEADHN COc1ccc(OC)c([C@H](O)CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746045197 1078755332 /nfs/dbraw/zinc/75/53/32/1078755332.db2.gz HUSJHIBJLODYIV-IFXJQAMLSA-N 0 3 408.520 2.338 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000770172618 1078767896 /nfs/dbraw/zinc/76/78/96/1078767896.db2.gz IRGBJKWPYSCFIC-KRWDZBQOSA-N 0 3 419.547 2.009 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000770174610 1078769935 /nfs/dbraw/zinc/76/99/35/1078769935.db2.gz UONNVSLKEBRNLJ-CQSZACIVSA-N 0 3 406.918 2.091 20 0 HEADHN CCCc1ccc(N2C[C@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2=O)cc1 ZINC000770174106 1078769998 /nfs/dbraw/zinc/76/99/98/1078769998.db2.gz RYEISCSNTBURSJ-AZUAARDMSA-N 0 3 400.567 2.134 20 0 HEADHN CCCN(C)CC(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)c(OC)c2)C1=O ZINC000746171557 1078809687 /nfs/dbraw/zinc/80/96/87/1078809687.db2.gz BXWGZZMGEIMDKU-ATVHPVEESA-N 0 3 421.519 2.198 20 0 HEADHN COC(=O)c1csc(NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)c1 ZINC000770256189 1078815272 /nfs/dbraw/zinc/81/52/72/1078815272.db2.gz CQBUQVNDMFXUKF-UHFFFAOYSA-N 0 3 403.504 2.106 20 0 HEADHN O=C(C[C@H](c1ccccc1)N1CCOC1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746217707 1078824170 /nfs/dbraw/zinc/82/41/70/1078824170.db2.gz AGUSXMSEGGKXQB-FGZHOGPDSA-N 0 3 423.513 2.105 20 0 HEADHN COc1cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000770319764 1078827677 /nfs/dbraw/zinc/82/76/77/1078827677.db2.gz BZBWIMYIEOXFBE-HZPDHXFCSA-N 0 3 404.463 2.249 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000770362831 1078830789 /nfs/dbraw/zinc/83/07/89/1078830789.db2.gz NWCUQTJOFPZDHA-IRXDYDNUSA-N 0 3 403.527 2.029 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000770336968 1078835737 /nfs/dbraw/zinc/83/57/37/1078835737.db2.gz PHMZIIDSZFCWQA-KNQAVFIVSA-N 0 3 412.534 2.367 20 0 HEADHN CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746274757 1078841023 /nfs/dbraw/zinc/84/10/23/1078841023.db2.gz DMHFXIXSIVDVHV-OAHLLOKOSA-N 0 3 411.543 2.364 20 0 HEADHN CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746274757 1078841031 /nfs/dbraw/zinc/84/10/31/1078841031.db2.gz DMHFXIXSIVDVHV-OAHLLOKOSA-N 0 3 411.543 2.364 20 0 HEADHN Cc1cc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)ccn1 ZINC001170015261 1078881204 /nfs/dbraw/zinc/88/12/04/1078881204.db2.gz VEFXGDYTIKWJHJ-IRXDYDNUSA-N 0 3 406.552 2.391 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F ZINC000770590679 1078899534 /nfs/dbraw/zinc/89/95/34/1078899534.db2.gz OEFANWSNOUSCSX-RHSMWYFYSA-N 0 3 402.461 2.064 20 0 HEADHN CN1CCN(CCCCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766350875 1078899798 /nfs/dbraw/zinc/89/97/98/1078899798.db2.gz KZLADOIPKYPPJL-OAQYLSRUSA-N 0 3 416.566 2.179 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(Cl)c3)C2=O)CCN1CCOC ZINC000766372947 1078938737 /nfs/dbraw/zinc/93/87/37/1078938737.db2.gz DSSDWTNRHFXERL-GHTZIAJQSA-N 0 3 422.957 2.497 20 0 HEADHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCc1ncn(-c2ccccc2)n1 ZINC000770693800 1078962960 /nfs/dbraw/zinc/96/29/60/1078962960.db2.gz WTNMBBXTDDLCOZ-UHFFFAOYSA-N 0 3 419.533 2.474 20 0 HEADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770697746 1078966466 /nfs/dbraw/zinc/96/64/66/1078966466.db2.gz CPYZWXWFGHLCAV-UYRXBGFRSA-N 0 3 422.522 2.175 20 0 HEADHN C[C@@H]1CN(c2ccc(NC(=O)CN(CC(C)(C)O)C3CCOCC3)cc2)C[C@@H](C)O1 ZINC000746461927 1079015372 /nfs/dbraw/zinc/01/53/72/1079015372.db2.gz GJDICDDHDSCUTO-QZTJIDSGSA-N 0 3 419.566 2.491 20 0 HEADHN CNS(=O)(=O)c1ccc([C@@H](C)NC[C@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC001168800372 1079040799 /nfs/dbraw/zinc/04/07/99/1079040799.db2.gz CNWPYWXDYDMKMI-PBHICJAKSA-N 0 3 403.504 2.167 20 0 HEADHN CCN1C[C@H]2CCN([C@@H]3C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001168852419 1079052320 /nfs/dbraw/zinc/05/23/20/1079052320.db2.gz BYLZUOQKGQCRGO-QBPKDAKJSA-N 0 3 401.573 2.130 20 0 HEADHN COCCO[C@H]1CCN([C@@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1Cc1cnn(C)c1 ZINC001168870156 1079059317 /nfs/dbraw/zinc/05/93/17/1079059317.db2.gz ZVCFTEXHHRSLCC-LMCOJAPRSA-N 0 3 422.570 2.466 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCC[C@@H](NC(=O)c4ccccn4)C3)CC2=O)cc1 ZINC001168952005 1079085219 /nfs/dbraw/zinc/08/52/19/1079085219.db2.gz BSPKVDZIADKUJC-UXHICEINSA-N 0 3 422.529 2.476 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(c4cc(OC)ccn4)CC3)CC2=O)cc1 ZINC001168955539 1079090762 /nfs/dbraw/zinc/09/07/62/1079090762.db2.gz QFVMMKOLBDKZCA-LJQANCHMSA-N 0 3 410.518 2.412 20 0 HEADHN COc1ccc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170021125 1079117058 /nfs/dbraw/zinc/11/70/58/1079117058.db2.gz VSBAZGAOHCXEJO-HOTGVXAUSA-N 0 3 422.551 2.091 20 0 HEADHN Cc1cccc(CN2CC[C@@H](NC(=O)Cc3cccc(NS(C)(=O)=O)c3)C2)c1 ZINC001169149313 1079165979 /nfs/dbraw/zinc/16/59/79/1079165979.db2.gz JPQMMNCAJLMROR-HXUWFJFHSA-N 0 3 401.532 2.300 20 0 HEADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2cccc(C)c2)C1 ZINC001169151049 1079167315 /nfs/dbraw/zinc/16/73/15/1079167315.db2.gz ZGCYFUQDOVYALO-MSOLQXFVSA-N 0 3 419.522 2.142 20 0 HEADHN Cc1cccc(C)c1CNC(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000766625220 1079201234 /nfs/dbraw/zinc/20/12/34/1079201234.db2.gz RVRZSYVOGORXQF-UHFFFAOYSA-N 0 3 422.529 2.256 20 0 HEADHN Cc1c(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cccc1N1CCOC1=O ZINC000771167380 1079205381 /nfs/dbraw/zinc/20/53/81/1079205381.db2.gz HEVAZSRLMKRWLE-UHFFFAOYSA-N 0 3 403.527 2.489 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389888 1079260327 /nfs/dbraw/zinc/26/03/27/1079260327.db2.gz UBLCGOOKGUXZTD-RYLXDESZSA-N 0 3 422.547 2.212 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391798 1079261656 /nfs/dbraw/zinc/26/16/56/1079261656.db2.gz KDNJDDXLMAGQMQ-ZWCUEREDSA-N 0 3 421.513 2.250 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CO1 ZINC001169400189 1079274004 /nfs/dbraw/zinc/27/40/04/1079274004.db2.gz YLYIBTOITLOWHT-ROWPZFDLSA-N 0 3 408.470 2.334 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)CO1 ZINC001169395384 1079267617 /nfs/dbraw/zinc/26/76/17/1079267617.db2.gz IBQXURUXNPSXNP-GJYPPUQNSA-N 0 3 410.465 2.125 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CO1 ZINC001169396147 1079268583 /nfs/dbraw/zinc/26/85/83/1079268583.db2.gz KYSRUKRSFJDNDJ-FXAWDEMLSA-N 0 3 416.518 2.124 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)NC(C)(C)CCN3CCN(C)CC3)C2=O)cc1 ZINC000771326741 1079288303 /nfs/dbraw/zinc/28/83/03/1079288303.db2.gz LDBDSOOSLCBFSB-HXUWFJFHSA-N 0 3 415.582 2.206 20 0 HEADHN CCN(CC)C(=O)C[C@@H](C)N1CCN(c2ncnc3cc(OC)c(OC)cc32)CC1 ZINC001169477416 1079303694 /nfs/dbraw/zinc/30/36/94/1079303694.db2.gz AFPCZJMDNFEHDH-MRXNPFEDSA-N 0 3 415.538 2.416 20 0 HEADHN C[C@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC001169540907 1079326180 /nfs/dbraw/zinc/32/61/80/1079326180.db2.gz SCSRSUYSCMDXIK-STQMWFEESA-N 0 3 402.308 2.304 20 0 HEADHN C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C1=CCN(C)CC1 ZINC000771450420 1079329551 /nfs/dbraw/zinc/32/95/51/1079329551.db2.gz FOLKFHWAWZTLIM-MPBGBICISA-N 0 3 422.888 2.013 20 0 HEADHN CC(=O)N1CCC[C@H](N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C1 ZINC001169577165 1079335797 /nfs/dbraw/zinc/33/57/97/1079335797.db2.gz FNTBESUHMJRRHP-OALUTQOASA-N 0 3 415.534 2.277 20 0 HEADHN CC(=O)N1CCC[C@H](N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)C1 ZINC001169610223 1079350887 /nfs/dbraw/zinc/35/08/87/1079350887.db2.gz MTZRWKUQBAPHHM-SFHVURJKSA-N 0 3 412.559 2.485 20 0 HEADHN CC(=O)N1CCC[C@@H](N2CCc3nc(C(=O)NCc4ccccc4)sc3CC2)C1 ZINC001169610222 1079351039 /nfs/dbraw/zinc/35/10/39/1079351039.db2.gz MTZRWKUQBAPHHM-GOSISDBHSA-N 0 3 412.559 2.485 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000771578129 1079378391 /nfs/dbraw/zinc/37/83/91/1079378391.db2.gz FZNBHPMYIFBTAL-ODAUKNCYSA-N 0 3 420.513 2.222 20 0 HEADHN COc1ccccc1[C@H](Nc1nc(NCCO)nc(NC(C)C)n1)c1nccn1C ZINC000804336917 1079385111 /nfs/dbraw/zinc/38/51/11/1079385111.db2.gz RSKUAWFBABBEOT-INIZCTEOSA-N 0 3 412.498 2.040 20 0 HEADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CC[C@@H](OCc3ccncc3)C1)OC2=O ZINC001169716293 1079383312 /nfs/dbraw/zinc/38/33/12/1079383312.db2.gz SYVYESUZVUFYBX-QZTJIDSGSA-N 0 3 417.506 2.225 20 0 HEADHN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000804337510 1079390689 /nfs/dbraw/zinc/39/06/89/1079390689.db2.gz CZAOUDMPFGKEMQ-OGWOLHLISA-N 0 3 418.513 2.093 20 0 HEADHN O=C(NCC1CC1)c1nn([C@@H]2CCCN(C(=O)c3ccccc3)C2)c2c1CNCC2 ZINC001169774820 1079396100 /nfs/dbraw/zinc/39/61/00/1079396100.db2.gz XJYQEGZNBBQDBP-GOSISDBHSA-N 0 3 407.518 2.146 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@@H](N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)C1 ZINC001169771231 1079405163 /nfs/dbraw/zinc/40/51/63/1079405163.db2.gz GSGNFQHQJVFNHQ-YPAWHYETSA-N 0 3 421.545 2.309 20 0 HEADHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)N2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000766815375 1079404500 /nfs/dbraw/zinc/40/45/00/1079404500.db2.gz HHIUIWPRKPCRFW-QUCCMNQESA-N 0 3 423.579 2.055 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(CN3CCCCC3=O)cc2)CC1 ZINC000771661718 1079432094 /nfs/dbraw/zinc/43/20/94/1079432094.db2.gz RDWSNJSWLMTIDW-UHFFFAOYSA-N 0 3 400.567 2.345 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000771664351 1079432864 /nfs/dbraw/zinc/43/28/64/1079432864.db2.gz XIJXKMBZNATRSE-AWEZNQCLSA-N 0 3 406.518 2.067 20 0 HEADHN COC(=O)c1cccc(NC(=O)CN[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)n1 ZINC001169822121 1079434591 /nfs/dbraw/zinc/43/45/91/1079434591.db2.gz RPLUCIVAEIWBFX-INIZCTEOSA-N 0 3 420.510 2.480 20 0 HEADHN CCOC(Cn1cc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)nn1)OCC ZINC000771635887 1079443676 /nfs/dbraw/zinc/44/36/76/1079443676.db2.gz JCDIJBFHWACFAW-UHFFFAOYSA-N 0 3 416.526 2.071 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC3(CCN(C(=O)c4cscn4)C3)CC2)CC1 ZINC001169881444 1079455999 /nfs/dbraw/zinc/45/59/99/1079455999.db2.gz VALWTCAVQNXHQH-UHFFFAOYSA-N 0 3 411.593 2.427 20 0 HEADHN O=C(C[N@@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864770 1079462426 /nfs/dbraw/zinc/46/24/26/1079462426.db2.gz UJMHUAVPZZIJPY-CYBMUJFWSA-N 0 3 414.384 2.212 20 0 HEADHN O=C(C[N@H+]1CCC[C@@H](c2n[n-]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864770 1079462430 /nfs/dbraw/zinc/46/24/30/1079462430.db2.gz UJMHUAVPZZIJPY-CYBMUJFWSA-N 0 3 414.384 2.212 20 0 HEADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC[C@H](n2ccnc2)C1 ZINC000738147952 1075968861 /nfs/dbraw/zinc/96/88/61/1075968861.db2.gz HEWOHIXYDOOOMP-NZQKXSOJSA-N 0 3 422.533 2.064 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2nc(Cc3cccs3)oc2=S)CC1 ZINC000738156706 1075969769 /nfs/dbraw/zinc/96/97/69/1075969769.db2.gz QABJJLACOOXNDJ-UHFFFAOYSA-N 0 3 407.565 2.055 20 0 HEADHN CN1CCC2(CC1)NC(=O)N(CN1CCSC[C@H]1c1ccc(Cl)cc1)C2=O ZINC000738256197 1075977099 /nfs/dbraw/zinc/97/70/99/1075977099.db2.gz QQAZYXWHCRNXFT-INIZCTEOSA-N 0 3 408.955 2.404 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000738284820 1075978842 /nfs/dbraw/zinc/97/88/42/1075978842.db2.gz DMALZDYBJBGAIT-IBGZPJMESA-N 0 3 416.595 2.469 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1Cn1nc(-c2cccs2)n(CCC(N)=O)c1=S ZINC000738286522 1075979314 /nfs/dbraw/zinc/97/93/14/1075979314.db2.gz XESLCQQBEMELJZ-AWEZNQCLSA-N 0 3 408.597 2.247 20 0 HEADHN CN(CCn1cc(Br)cn1)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738329282 1075982627 /nfs/dbraw/zinc/98/26/27/1075982627.db2.gz OSOFFQXXAUKTRU-UHFFFAOYSA-N 0 3 416.364 2.130 20 0 HEADHN COc1ccc2c(CN3CCC(CNC(=O)c4cnn(C)c4)CC3)cc(=O)oc2c1 ZINC000738311673 1075987310 /nfs/dbraw/zinc/98/73/10/1075987310.db2.gz HRPNSWBBBWRXHV-UHFFFAOYSA-N 0 3 410.474 2.177 20 0 HEADHN COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000738317755 1075988990 /nfs/dbraw/zinc/98/89/90/1075988990.db2.gz NCYZAXLGQNSOLO-MRXNPFEDSA-N 0 3 409.552 2.277 20 0 HEADHN CCc1cc(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)[nH]n1 ZINC000738483714 1076005084 /nfs/dbraw/zinc/00/50/84/1076005084.db2.gz ZOBOFBFNEIFRPS-GOSISDBHSA-N 0 3 411.554 2.111 20 0 HEADHN CCc1cc(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n[nH]1 ZINC000738483714 1076005090 /nfs/dbraw/zinc/00/50/90/1076005090.db2.gz ZOBOFBFNEIFRPS-GOSISDBHSA-N 0 3 411.554 2.111 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)N1CCC[C@@H](C)C1 ZINC000739066961 1076036320 /nfs/dbraw/zinc/03/63/20/1076036320.db2.gz JZAFCQUTRVKGTH-KURKYZTESA-N 0 3 402.539 2.087 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)N(C)Cc1ccccc1 ZINC000739091267 1076044014 /nfs/dbraw/zinc/04/40/14/1076044014.db2.gz YBGCLEJQHOWDPN-MOPGFXCFSA-N 0 3 424.545 2.487 20 0 HEADHN O=C(Nc1ccc(CN2CCOC2=O)cc1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739119680 1076046381 /nfs/dbraw/zinc/04/63/81/1076046381.db2.gz LZPXENZXDYVOBB-UHFFFAOYSA-N 0 3 414.506 2.054 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1)CN1CCN(C)CC1 ZINC000740493518 1076172981 /nfs/dbraw/zinc/17/29/81/1076172981.db2.gz DSVXZDZHZMOQRK-LJQANCHMSA-N 0 3 424.545 2.204 20 0 HEADHN C[C@H](CNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)CN1CCN(C)CC1 ZINC000740756609 1076227662 /nfs/dbraw/zinc/22/76/62/1076227662.db2.gz NDPNUKFYZMNTDG-GUDVDZBRSA-N 0 3 403.571 2.305 20 0 HEADHN CS(=O)(=O)[C@H]1CCC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000740770231 1076236066 /nfs/dbraw/zinc/23/60/66/1076236066.db2.gz IEEGKTPCFKTDNB-OALUTQOASA-N 0 3 409.621 2.471 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000740847095 1076266424 /nfs/dbraw/zinc/26/64/24/1076266424.db2.gz NBMCIZKXMAZAKQ-OAHLLOKOSA-N 0 3 405.495 2.210 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H](C(C)C)N3CCCC3)cc2)CC1 ZINC000741012017 1076328601 /nfs/dbraw/zinc/32/86/01/1076328601.db2.gz SQOIBXKUXISHEA-JOCHJYFZSA-N 0 3 416.566 2.431 20 0 HEADHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741099939 1076370380 /nfs/dbraw/zinc/37/03/80/1076370380.db2.gz PJPPEEGTIMRUIO-YJBOKZPZSA-N 0 3 418.538 2.448 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CCO1 ZINC000741267754 1076437429 /nfs/dbraw/zinc/43/74/29/1076437429.db2.gz ALOSEAFYZUGMGE-UXHICEINSA-N 0 3 403.523 2.433 20 0 HEADHN CN(C)Cc1cccc(C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000741281911 1076452790 /nfs/dbraw/zinc/45/27/90/1076452790.db2.gz DVEJRMFUCMCAON-UHFFFAOYSA-N 0 3 404.555 2.373 20 0 HEADHN O=C(NCc1ccc(N2CCCC2=O)cc1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000741404447 1076512104 /nfs/dbraw/zinc/51/21/04/1076512104.db2.gz CLECQEBDVQXYLH-XMMPIXPASA-N 0 3 422.529 2.250 20 0 HEADHN COCC(=O)Nc1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000741394518 1076520271 /nfs/dbraw/zinc/52/02/71/1076520271.db2.gz MVQIWYFFUSGDEK-QFIPXVFZSA-N 0 3 412.490 2.030 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN[C@@H](C)c3nnc4ccccn43)cc2)CC1 ZINC000741716027 1076590628 /nfs/dbraw/zinc/59/06/28/1076590628.db2.gz UNTJDNXQXNGZBT-KRWDZBQOSA-N 0 3 407.522 2.161 20 0 HEADHN CN(C)CCN(C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C1CCCC1 ZINC000742074800 1076735757 /nfs/dbraw/zinc/73/57/57/1076735757.db2.gz NAAKBZQVDQYKFT-UHFFFAOYSA-N 0 3 420.579 2.180 20 0 HEADHN O=C(NC1CCN(C[C@H]2CCCO2)CC1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000742075293 1076736163 /nfs/dbraw/zinc/73/61/63/1076736163.db2.gz UGKRWUCBJQGIDW-QGZVFWFLSA-N 0 3 413.474 2.486 20 0 HEADHN CCC1N=NC(=S)N1CCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000742189000 1076777202 /nfs/dbraw/zinc/77/72/02/1076777202.db2.gz ZLDAQHAVPPAAKR-UHFFFAOYSA-N 0 3 402.568 2.090 20 0 HEADHN CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000742243478 1076804681 /nfs/dbraw/zinc/80/46/81/1076804681.db2.gz GEBOMIBKWNWYEZ-UHFFFAOYSA-N 0 3 402.539 2.278 20 0 HEADHN CN1C(=S)N=NC1[C@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000742250810 1076806490 /nfs/dbraw/zinc/80/64/90/1076806490.db2.gz KRPLGXHKKNYPHA-KRWDZBQOSA-N 0 3 414.579 2.022 20 0 HEADHN CSC1(CNCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2Cl)CCOCC1 ZINC000742378800 1076835064 /nfs/dbraw/zinc/83/50/64/1076835064.db2.gz YWBCRKXTICOBBM-ZDUSSCGKSA-N 0 3 407.989 2.206 20 0 HEADHN CN1CCN(CCCNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742489487 1076844266 /nfs/dbraw/zinc/84/42/66/1076844266.db2.gz LEUFIVYKATWFGK-IBGZPJMESA-N 0 3 404.555 2.049 20 0 HEADHN NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)ccc1F ZINC000742484163 1076846591 /nfs/dbraw/zinc/84/65/91/1076846591.db2.gz ASRZIEADSZGUHO-KRWDZBQOSA-N 0 3 405.495 2.258 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000742599142 1076854821 /nfs/dbraw/zinc/85/48/21/1076854821.db2.gz SHXMHDFIWOEHIX-FHWLQOOXSA-N 0 3 403.523 2.274 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000742669798 1076862976 /nfs/dbraw/zinc/86/29/76/1076862976.db2.gz BVBXIZKOYFOFLW-MRXNPFEDSA-N 0 3 408.543 2.308 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000743240637 1077012015 /nfs/dbraw/zinc/01/20/15/1077012015.db2.gz MAWSWATUJKIVAK-GOSISDBHSA-N 0 3 417.510 2.016 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000743282199 1077016116 /nfs/dbraw/zinc/01/61/16/1077016116.db2.gz JMARQEQHEWHOAL-UHFFFAOYSA-N 0 3 402.445 2.475 20 0 HEADHN CC(C)CN1CCO[C@H](CNc2ccnc(NC[C@H]3CN(CC(C)C)CCO3)n2)C1 ZINC000743300808 1077022281 /nfs/dbraw/zinc/02/22/81/1077022281.db2.gz YFBLVBXTJJIRAY-UXHICEINSA-N 0 3 420.602 2.014 20 0 HEADHN CCN1CCN(c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)cc3)cc2)CC1 ZINC000743306927 1077023238 /nfs/dbraw/zinc/02/32/38/1077023238.db2.gz OUMZWAOJIQYCRJ-UHFFFAOYSA-N 0 3 407.518 2.017 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)N(C)C)cc1 ZINC000743329787 1077029280 /nfs/dbraw/zinc/02/92/80/1077029280.db2.gz KBMZPJXDYJBYPO-HXUWFJFHSA-N 0 3 418.563 2.017 20 0 HEADHN CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cc(C(=O)OC(C)(C)C)nn1C ZINC001545680340 1077071837 /nfs/dbraw/zinc/07/18/37/1077071837.db2.gz ZSAOPZIZEMFMAL-UHFFFAOYSA-N 0 3 402.495 2.285 20 0 HEADHN CN(C[C@@H]1CCCN1CCOc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C ZINC000743867283 1077152235 /nfs/dbraw/zinc/15/22/35/1077152235.db2.gz SJPIPXLAWGJDEE-HNNXBMFYSA-N 0 3 413.540 2.044 20 0 HEADHN CCOC(=O)C1=C(CN(CC)CC2CCN(c3ccccn3)CC2)NC(=O)N[C@@H]1C ZINC000743874696 1077157995 /nfs/dbraw/zinc/15/79/95/1077157995.db2.gz ZQHLHROLPIIXNV-MRXNPFEDSA-N 0 3 415.538 2.138 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000743897145 1077209349 /nfs/dbraw/zinc/20/93/49/1077209349.db2.gz NMARJZPIWNEWDU-ZBFHGGJFSA-N 0 3 402.495 2.127 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCN1[C@@H](C)CCC[C@@H]1C ZINC000743906567 1077219014 /nfs/dbraw/zinc/21/90/14/1077219014.db2.gz IVEFVJPOHROHHP-HOTGVXAUSA-N 0 3 402.495 2.269 20 0 HEADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](SC)C3)cc2)CC1 ZINC000743968792 1077273033 /nfs/dbraw/zinc/27/30/33/1077273033.db2.gz SMDLYDODZOYPSY-RTBURBONSA-N 0 3 404.580 2.163 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](SC)C3)c(C)c2)CC1 ZINC000743969639 1077273719 /nfs/dbraw/zinc/27/37/19/1077273719.db2.gz XCRSULFRWCTWRF-SJLPKXTDSA-N 0 3 404.580 2.476 20 0 HEADHN CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1Cl ZINC000743978598 1077291588 /nfs/dbraw/zinc/29/15/88/1077291588.db2.gz LFGGKGWWPMOXCI-CQSZACIVSA-N 0 3 408.930 2.361 20 0 HEADHN COc1ccccc1NC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743978003 1077291996 /nfs/dbraw/zinc/29/19/96/1077291996.db2.gz CLXJAYXFLGFTBV-MRXNPFEDSA-N 0 3 424.501 2.487 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743983644 1077295346 /nfs/dbraw/zinc/29/53/46/1077295346.db2.gz XZCZCPQZRNCRIW-KSZLIROESA-N 0 3 414.550 2.344 20 0 HEADHN O=C(CN1CCC2(CCCC2)C1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000744421806 1077385650 /nfs/dbraw/zinc/38/56/50/1077385650.db2.gz GGYOZUBPPMGPAU-IUXPMGMMSA-N 0 3 417.575 2.397 20 0 HEADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CC[C@@H](C)C2)c1 ZINC000744798931 1077597358 /nfs/dbraw/zinc/59/73/58/1077597358.db2.gz RUBQATVEYMQUHJ-CQSZACIVSA-N 0 3 401.960 2.442 20 0 HEADHN CCN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000771763575 1079519698 /nfs/dbraw/zinc/51/96/98/1079519698.db2.gz SYHGSOAQFKZFGK-FQEVSTJZSA-N 0 3 405.506 2.468 20 0 HEADHN CC(C)(C)OC(=O)NC[C@](C)(NCC(=O)NC[C@H]1Cc2ccccc2O1)C1CC1 ZINC000766938005 1079527923 /nfs/dbraw/zinc/52/79/23/1079527923.db2.gz FFOYOJXPNPKNAL-VGSWGCGISA-N 0 3 403.523 2.389 20 0 HEADHN C[C@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000766968932 1079564811 /nfs/dbraw/zinc/56/48/11/1079564811.db2.gz IRPONBABKCVXDF-CJNGLKHVSA-N 0 3 412.458 2.376 20 0 HEADHN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000771952937 1079600898 /nfs/dbraw/zinc/60/08/98/1079600898.db2.gz KUMDRCLREDKLDE-ROUUACIJSA-N 0 3 411.591 2.101 20 0 HEADHN C[C@@H](CNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@@H](C)C1 ZINC000767081535 1079652519 /nfs/dbraw/zinc/65/25/19/1079652519.db2.gz RCOVSUALCFMKPL-CVEARBPZSA-N 0 3 403.589 2.426 20 0 HEADHN COC(=O)c1n[nH]c2ccc(NC(=O)NC3CCN(CCOC(C)C)CC3)cc21 ZINC000772299193 1079800704 /nfs/dbraw/zinc/80/07/04/1079800704.db2.gz RTXKKDXWXNGYMD-UHFFFAOYSA-N 0 3 403.483 2.360 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1cc(F)ccc1F ZINC000767361387 1079829329 /nfs/dbraw/zinc/82/93/29/1079829329.db2.gz OKKIRFAKZFXKLB-NQIIRXRSSA-N 0 3 401.413 2.195 20 0 HEADHN Cn1nnnc1CCN[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000772464879 1079890151 /nfs/dbraw/zinc/89/01/51/1079890151.db2.gz GICMFNDUOJDKEG-IIBYNOLFSA-N 0 3 414.510 2.246 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CC[C@@]3(CCCO3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170044284 1079916602 /nfs/dbraw/zinc/91/66/02/1079916602.db2.gz PZXRSTQSRIAHEU-FTRWYGJKSA-N 0 3 411.568 2.152 20 0 HEADHN CC[C@@]1(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000772633147 1079992055 /nfs/dbraw/zinc/99/20/55/1079992055.db2.gz PTALGESZMSAVPX-JTSKRJEESA-N 0 3 422.570 2.107 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCN3CCCC[C@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047450 1080046353 /nfs/dbraw/zinc/04/63/53/1080046353.db2.gz DRBOFZKXDMKQAY-KSZLIROESA-N 0 3 424.611 2.067 20 0 HEADHN C[C@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)N1CCCCC1 ZINC000785581855 1080059677 /nfs/dbraw/zinc/05/96/77/1080059677.db2.gz BPTHLDFNAXOMIE-CRAIPNDOSA-N 0 3 417.941 2.270 20 0 HEADHN COc1ccc(-c2ncc(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)s2)cc1OC ZINC000767777485 1080083366 /nfs/dbraw/zinc/08/33/66/1080083366.db2.gz UIGJMXYCDOFBIW-CABCVRRESA-N 0 3 403.504 2.420 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](Cc2c(F)cccc2F)C(C)=O)CC1=O ZINC000785650146 1080098389 /nfs/dbraw/zinc/09/83/89/1080098389.db2.gz QEGLBPSTFGAUGY-YRNRMSPPSA-N 0 3 422.472 2.341 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)NCCCN1CCCCCC1=O ZINC000785731501 1080205481 /nfs/dbraw/zinc/20/54/81/1080205481.db2.gz XMIUVBBVGGVVDJ-UHFFFAOYSA-N 0 3 415.534 2.348 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=S)NCCCN3CCOCC3)c2)CC1 ZINC000767917609 1080214983 /nfs/dbraw/zinc/21/49/83/1080214983.db2.gz ZIQZCAZWVARYJP-UHFFFAOYSA-N 0 3 405.612 2.226 20 0 HEADHN CCC[C@H](C)[C@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(c2cccc(OC)c2)C1=O ZINC000767905747 1080222777 /nfs/dbraw/zinc/22/27/77/1080222777.db2.gz IGHCXGBQAGFXAU-REDKUUPNSA-N 0 3 416.522 2.394 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC000785814685 1080255515 /nfs/dbraw/zinc/25/55/15/1080255515.db2.gz DPCKPILWRJDPIQ-FXAWDEMLSA-N 0 3 401.507 2.282 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1ccc(COCC(F)(F)F)cc1)N1CCCCC1 ZINC000785880306 1080273248 /nfs/dbraw/zinc/27/32/48/1080273248.db2.gz LLDDEURPIPXQKK-OAHLLOKOSA-N 0 3 415.456 2.372 20 0 HEADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767984824 1080275092 /nfs/dbraw/zinc/27/50/92/1080275092.db2.gz YLNHLDLWUWFDKF-SNVBAGLBSA-N 0 3 403.708 2.427 20 0 HEADHN CCN1CCCC[C@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768168412 1080381849 /nfs/dbraw/zinc/38/18/49/1080381849.db2.gz YTMWTMLEJLTKNH-NSHDSACASA-N 0 3 403.708 2.427 20 0 HEADHN CC(C)CN1N=C(C(=O)NC2CCN(CCOc3ccc(F)cc3)CC2)CCC1=O ZINC000768170964 1080382941 /nfs/dbraw/zinc/38/29/41/1080382941.db2.gz LKYHNVAHZXXCFY-UHFFFAOYSA-N 0 3 418.513 2.420 20 0 HEADHN COCCN(C)CCOc1cccc(CNC(=O)[C@]2(O)CCc3ccccc3C2)c1 ZINC000786084425 1080387605 /nfs/dbraw/zinc/38/76/05/1080387605.db2.gz XHQTWGCQAFMDLL-DEOSSOPVSA-N 0 3 412.530 2.180 20 0 HEADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768178637 1080388627 /nfs/dbraw/zinc/38/86/27/1080388627.db2.gz VMQVKNZQEMHPDC-VGUREELVSA-N 0 3 407.555 2.247 20 0 HEADHN C[C@@H](NCc1ccc(-n2cncn2)nc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203093 1080394096 /nfs/dbraw/zinc/39/40/96/1080394096.db2.gz YWEAVCQFEHHIQH-XLIONFOSSA-N 0 3 422.489 2.178 20 0 HEADHN C[C@H](CC(F)(F)F)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000768270801 1080452218 /nfs/dbraw/zinc/45/22/18/1080452218.db2.gz CXBXCPFILPIOCH-MNOVXSKESA-N 0 3 402.460 2.404 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768427668 1080549291 /nfs/dbraw/zinc/54/92/91/1080549291.db2.gz XPPBVRUZXDVUGZ-SFHVURJKSA-N 0 3 406.534 2.424 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786604026 1080704166 /nfs/dbraw/zinc/70/41/66/1080704166.db2.gz TZTBRNXZCMYHQO-UHFFFAOYSA-N 0 3 410.852 2.220 20 0 HEADHN C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCS(=O)(=O)c1ccccc1 ZINC000768689052 1080748497 /nfs/dbraw/zinc/74/84/97/1080748497.db2.gz PIUFFABBLGFPMZ-DLBZAZTESA-N 0 3 412.552 2.464 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](O)c3cccc(C)c3)c(C)c2)CC1 ZINC000768742081 1080766253 /nfs/dbraw/zinc/76/62/53/1080766253.db2.gz TVZJCBOKCFCFCK-QFIPXVFZSA-N 0 3 424.545 2.234 20 0 HEADHN COc1ncc(Br)cc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000768824779 1080813762 /nfs/dbraw/zinc/81/37/62/1080813762.db2.gz HYVVMJALTPGCTF-NXEZZACHSA-N 0 3 411.174 2.353 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786774887 1080816587 /nfs/dbraw/zinc/81/65/87/1080816587.db2.gz BCKIINZPUKNOPA-DOTOQJQBSA-N 0 3 411.543 2.023 20 0 HEADHN C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CCN1CCc2ccccc2C1 ZINC000786814951 1080840805 /nfs/dbraw/zinc/84/08/05/1080840805.db2.gz DUIJTHDHZLVTDL-VQIMIIECSA-N 0 3 401.507 2.383 20 0 HEADHN CCN1CCN([C@H](C)CNS(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000786868828 1080862190 /nfs/dbraw/zinc/86/21/90/1080862190.db2.gz JAZUDFJQOHDJER-XETPBLJFSA-N 0 3 416.385 2.365 20 0 HEADHN COCCNC(=O)[C@H](Cc1ccccc1)N[C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786889746 1080870913 /nfs/dbraw/zinc/87/09/13/1080870913.db2.gz PJUXBKUDIACCDF-UWJYYQICSA-N 0 3 410.518 2.241 20 0 HEADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000768953528 1080881419 /nfs/dbraw/zinc/88/14/19/1080881419.db2.gz WBAWDSVGKWDIPD-WOJBJXKFSA-N 0 3 405.539 2.364 20 0 HEADHN C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOCCc1ccccc1 ZINC001109416540 1080898810 /nfs/dbraw/zinc/89/88/10/1080898810.db2.gz KFYMLXIAOPDTKP-KVEDYDLGSA-N 0 3 402.535 2.161 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000769098311 1080908147 /nfs/dbraw/zinc/90/81/47/1080908147.db2.gz KVKJKUJUKWAJPN-PVAVHDDUSA-N 0 3 415.456 2.019 20 0 HEADHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000787009212 1080927233 /nfs/dbraw/zinc/92/72/33/1080927233.db2.gz VQSWFFLCRILWPG-CVEARBPZSA-N 0 3 424.567 2.014 20 0 HEADHN Cc1cccc2ncc(CN3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)n21 ZINC000769192627 1080967387 /nfs/dbraw/zinc/96/73/87/1080967387.db2.gz OJHMBKOPHWPMSH-KRWDZBQOSA-N 0 3 415.538 2.496 20 0 HEADHN C[C@@H]1[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CCN1C(=O)OC(C)(C)C ZINC000787119514 1081008326 /nfs/dbraw/zinc/00/83/26/1081008326.db2.gz FRDXGJGWBFHWID-AHRSYUTCSA-N 0 3 417.550 2.167 20 0 HEADHN CC1(C)CC(N2CCN(c3nc(Br)cnc3N)CC2)CC(C)(C)N1O ZINC001170003696 1081017044 /nfs/dbraw/zinc/01/70/44/1081017044.db2.gz WWDMDMKSZVHATM-UHFFFAOYSA-N 0 3 413.364 2.354 20 0 HEADHN CN(CC(=O)NC[C@H]1Cc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661855 1081055221 /nfs/dbraw/zinc/05/52/21/1081055221.db2.gz QTCPCZORQAPVMN-GOSISDBHSA-N 0 3 403.523 2.438 20 0 HEADHN CN(CC(=O)NCc1ccc2c(c1)OCO2)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661590 1081056161 /nfs/dbraw/zinc/05/61/61/1081056161.db2.gz JSJKKDSEBNRVIY-UHFFFAOYSA-N 0 3 405.495 2.363 20 0 HEADHN COC(=O)Nc1ccc(CCNC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1 ZINC000787258655 1081075190 /nfs/dbraw/zinc/07/51/90/1081075190.db2.gz HAEBFDXPQDWEIU-MRXNPFEDSA-N 0 3 404.511 2.302 20 0 HEADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000769537886 1081114409 /nfs/dbraw/zinc/11/44/09/1081114409.db2.gz NUCUHNCCOPAWAK-NZSAHSFTSA-N 0 3 420.554 2.082 20 0 HEADHN O=C1NCCN(C(F)(F)c2ccc(OCc3ccc(Cl)nc3)cc2)C12CNC2 ZINC001164413441 718879485 /nfs/dbraw/zinc/87/94/85/718879485.db2.gz IITZAYRUNVLRHJ-UHFFFAOYSA-N 0 3 408.836 2.137 20 0 HEADHN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164687278 719692615 /nfs/dbraw/zinc/69/26/15/719692615.db2.gz RQKDQKDLGIXJCS-GOSISDBHSA-N 0 3 424.549 2.202 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ncccc1C(=O)NCc1ccccc1)CC2 ZINC001164685301 719703113 /nfs/dbraw/zinc/70/31/13/719703113.db2.gz UOMAIJBPUVDQQL-UHFFFAOYSA-N 0 3 421.545 2.192 20 0 HEADHN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164736528 720583414 /nfs/dbraw/zinc/58/34/14/720583414.db2.gz MUZMHIGKRIKQCP-UHFFFAOYSA-N 0 3 422.871 2.358 20 0 HEADHN COc1cc2nc(C)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164738970 720699522 /nfs/dbraw/zinc/69/95/22/720699522.db2.gz LSXGTBYNENFALZ-CVEARBPZSA-N 0 3 422.489 2.087 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164743175 720709216 /nfs/dbraw/zinc/70/92/16/720709216.db2.gz WQKMXSZRBNUEMY-NWDGAFQWSA-N 0 3 403.899 2.180 20 0 HEADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868012 721046308 /nfs/dbraw/zinc/04/63/08/721046308.db2.gz MAAYNIVIAVULMQ-HOTGVXAUSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1c(Cl)ccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868636 721053286 /nfs/dbraw/zinc/05/32/86/721053286.db2.gz OXOXYWHHRFEGSD-CVEARBPZSA-N 0 3 402.882 2.396 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164763674 721067495 /nfs/dbraw/zinc/06/74/95/721067495.db2.gz GOBOTTLLJXYWIO-NNMXDRDESA-N 0 3 409.534 2.181 20 0 HEADHN CCOC(=O)c1nc2ccccc2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164763547 721082557 /nfs/dbraw/zinc/08/25/57/721082557.db2.gz FWHYOOPCMPXLBS-QZTJIDSGSA-N 0 3 420.517 2.498 20 0 HEADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865526 721103247 /nfs/dbraw/zinc/10/32/47/721103247.db2.gz MLBWFKGZCYVDKI-MSOLQXFVSA-N 0 3 411.506 2.307 20 0 HEADHN CN(Cc1ccc(N2CC[C@@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871136 721216028 /nfs/dbraw/zinc/21/60/28/721216028.db2.gz IERYMLRATJEGCH-MBSDFSHPSA-N 0 3 422.533 2.024 20 0 HEADHN COc1ccc2c(ccnc2N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)c1 ZINC001164869863 721266972 /nfs/dbraw/zinc/26/69/72/721266972.db2.gz QZUQLWURWFWRAR-UHFFFAOYSA-N 0 3 412.534 2.250 20 0 HEADHN Cc1cc(N2CCCC2)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164894470 721378747 /nfs/dbraw/zinc/37/87/47/721378747.db2.gz YHGFDWNIKPCEHZ-NFBKMPQASA-N 0 3 414.598 2.151 20 0 HEADHN CN(Cc1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]3C2)nc1)C1CC1 ZINC001164786093 721381881 /nfs/dbraw/zinc/38/18/81/721381881.db2.gz SLPDFEHJCSVHFY-WPYKKVEZSA-N 0 3 421.545 2.485 20 0 HEADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164887709 721408674 /nfs/dbraw/zinc/40/86/74/721408674.db2.gz MMWKNZKGMLHDJX-XXBNENTESA-N 0 3 416.566 2.250 20 0 HEADHN O=C([C@@H]1CCO[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]21)N1CCCO1 ZINC001164789054 721482112 /nfs/dbraw/zinc/48/21/12/721482112.db2.gz AISSSIVKGIRLBS-HSALFYBXSA-N 0 3 400.523 2.073 20 0 HEADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)N4CCCO4)[C@H]3C2)nc1)C1CC1 ZINC001164791869 721482475 /nfs/dbraw/zinc/48/24/75/721482475.db2.gz KCXIVWGSULWLBA-AQNXPRMDSA-N 0 3 400.523 2.071 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)c1 ZINC001164898250 721495646 /nfs/dbraw/zinc/49/56/46/721495646.db2.gz GFXQJZPPCIAENG-CEXWTWQISA-N 0 3 424.578 2.365 20 0 HEADHN CCOC(=O)c1cnc(C)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900023 721524461 /nfs/dbraw/zinc/52/44/61/721524461.db2.gz NDQJRMHJGQIHLC-SJLPKXTDSA-N 0 3 400.454 2.443 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909907 721542170 /nfs/dbraw/zinc/54/21/70/721542170.db2.gz SKNKAVDENGCRTN-ZFWWWQNUSA-N 0 3 402.857 2.459 20 0 HEADHN CCOC(=O)Cc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909168 721546140 /nfs/dbraw/zinc/54/61/40/721546140.db2.gz QUWDCKJLERGSQU-IEBWSBKVSA-N 0 3 400.454 2.063 20 0 HEADHN COC(OC)c1c(CO)ccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902989 721547129 /nfs/dbraw/zinc/54/71/29/721547129.db2.gz BPYCCLMQDJMBGK-PKOBYXMFSA-N 0 3 417.481 2.346 20 0 HEADHN O=C1CSc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2N1 ZINC001164911421 721566237 /nfs/dbraw/zinc/56/62/37/721566237.db2.gz ZEDRCEZQBHSBKS-DZGCQCFKSA-N 0 3 401.467 2.002 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(CN(C)C5CC5)cn4)C[C@@H]32)cc1 ZINC001165027457 721796994 /nfs/dbraw/zinc/79/69/94/721796994.db2.gz VUWOVKCVMIPSMJ-FCHUYYIVSA-N 0 3 422.529 2.301 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncccc4CN4CCCC4)C[C@H]32)cc1 ZINC001165020480 721797016 /nfs/dbraw/zinc/79/70/16/721797016.db2.gz FTGPOMWFMGDRLU-YADHBBJMSA-N 0 3 422.529 2.302 20 0 HEADHN Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001164944378 721954014 /nfs/dbraw/zinc/95/40/14/721954014.db2.gz JXMMXUCOTQFGNQ-MOPGFXCFSA-N 0 3 403.914 2.075 20 0 HEADHN CC(=O)N1[C@@H]2CCN(c3ccc(CN(C)C4CC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968755 722081082 /nfs/dbraw/zinc/08/10/82/722081082.db2.gz DWFKFXGJSZMYTO-ILWGZMRPSA-N 0 3 408.550 2.388 20 0 HEADHN Cn1c(=O)ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164982028 722119933 /nfs/dbraw/zinc/11/99/33/722119933.db2.gz VTRQDRCLZQFVIY-UXHICEINSA-N 0 3 405.502 2.056 20 0 HEADHN Cn1c(=O)ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164982031 722119984 /nfs/dbraw/zinc/11/99/84/722119984.db2.gz VTRQDRCLZQFVIY-WOJBJXKFSA-N 0 3 405.502 2.056 20 0 HEADHN COC(=O)c1cc2c[nH]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc-2n1 ZINC001164980279 722134790 /nfs/dbraw/zinc/13/47/90/722134790.db2.gz MKPOZQCXGRTHOB-UWJYYQICSA-N 0 3 421.501 2.472 20 0 HEADHN CCCNC(=O)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164981039 722143068 /nfs/dbraw/zinc/14/30/68/722143068.db2.gz OKHWXROGJSQSMC-RTWAWAEBSA-N 0 3 409.534 2.344 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984668 722148661 /nfs/dbraw/zinc/14/86/61/722148661.db2.gz YINWBSJNHYFQPO-HOTGVXAUSA-N 0 3 417.897 2.039 20 0 HEADHN C[C@H]1CCN(CCNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769662264 1078500969 /nfs/dbraw/zinc/50/09/69/1078500969.db2.gz XANICIQJBRBCKC-SFHVURJKSA-N 0 3 423.579 2.296 20 0 HEADHN Cc1cccc(N2CCN(CCCCNC(=O)N3CCC4(C3)OCCO4)CC2)c1 ZINC000745519773 1078521335 /nfs/dbraw/zinc/52/13/35/1078521335.db2.gz VSDXDLPCOWCAGT-UHFFFAOYSA-N 0 3 402.539 2.056 20 0 HEADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000769830576 1078592379 /nfs/dbraw/zinc/59/23/79/1078592379.db2.gz RLSQDHAHPABFFI-PKOBYXMFSA-N 0 3 414.531 2.088 20 0 HEADHN Cc1oc(-c2ccccc2F)nc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000766334589 1078625616 /nfs/dbraw/zinc/62/56/16/1078625616.db2.gz VMBVXUHJCQSQMN-KRWDZBQOSA-N 0 3 400.454 2.168 20 0 HEADHN CC(=O)N1CCN(C(=O)[C@H](C)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC000769942925 1078647212 /nfs/dbraw/zinc/64/72/12/1078647212.db2.gz KEOYMKWCSDJYEC-KRWDZBQOSA-N 0 3 424.586 2.035 20 0 HEADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000769967427 1078657724 /nfs/dbraw/zinc/65/77/24/1078657724.db2.gz BSDCBOQRSAIGTO-NHCUHLMSSA-N 0 3 411.550 2.324 20 0 HEADHN CCOC(=O)N1CC[C@H](N[C@@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)C1 ZINC000769987390 1078675215 /nfs/dbraw/zinc/67/52/15/1078675215.db2.gz LYJFKYITNOODFX-OALUTQOASA-N 0 3 422.957 2.399 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861612 1078676584 /nfs/dbraw/zinc/67/65/84/1078676584.db2.gz CTZPPTLPPCHLNY-YJBOKZPZSA-N 0 3 416.488 2.312 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000745861758 1078677734 /nfs/dbraw/zinc/67/77/34/1078677734.db2.gz FFQUGYHGZWQKFZ-PZJWPPBQSA-N 0 3 415.582 2.063 20 0 HEADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)ccc2NC1=O ZINC000745933580 1078701227 /nfs/dbraw/zinc/70/12/27/1078701227.db2.gz VOHJSBPCNKBDRQ-ZDRJDWQYSA-N 0 3 402.495 2.020 20 0 HEADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000770049585 1078704537 /nfs/dbraw/zinc/70/45/37/1078704537.db2.gz OICIFBHEYBLIIO-BEFAXECRSA-N 0 3 405.520 2.290 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H](C)O[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000745946291 1078705246 /nfs/dbraw/zinc/70/52/46/1078705246.db2.gz RTUMXVOMYOPCNQ-QAPCUYQASA-N 0 3 414.472 2.419 20 0 HEADHN CN1CCN(Cc2cccc(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c2)CC1 ZINC000746014395 1078733858 /nfs/dbraw/zinc/73/38/58/1078733858.db2.gz CIODPOLETKAIAK-UHFFFAOYSA-N 0 3 407.562 2.438 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC(=O)OC(C)(C)C)N1CCCCC1 ZINC000746037537 1078738920 /nfs/dbraw/zinc/73/89/20/1078738920.db2.gz HGSBJSJITBULDH-INIZCTEOSA-N 0 3 403.523 2.500 20 0 HEADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)C1 ZINC000746046687 1078756058 /nfs/dbraw/zinc/75/60/58/1078756058.db2.gz QAZCPHPUCWWDKM-ZDUSSCGKSA-N 0 3 403.870 2.319 20 0 HEADHN COC(=O)c1c(NC(=O)C(=O)NCCN2CCC[C@@H]2C)sc2c1CCCCC2 ZINC000746040982 1078748090 /nfs/dbraw/zinc/74/80/90/1078748090.db2.gz IYLPFIVUPRFWHR-ZDUSSCGKSA-N 0 3 407.536 2.343 20 0 HEADHN COc1cc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)ccn1 ZINC001170013359 1078763048 /nfs/dbraw/zinc/76/30/48/1078763048.db2.gz FZLHNEJJMZQSTR-CVEARBPZSA-N 0 3 422.551 2.091 20 0 HEADHN CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746054769 1078763463 /nfs/dbraw/zinc/76/34/63/1078763463.db2.gz JKIIXKFAJGDCDM-GOSISDBHSA-N 0 3 402.520 2.462 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000770171675 1078766745 /nfs/dbraw/zinc/76/67/45/1078766745.db2.gz CQEDKTGZDBMLAQ-IBDYFIJFSA-N 0 3 412.578 2.081 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000770173115 1078769160 /nfs/dbraw/zinc/76/91/60/1078769160.db2.gz LFAURKYKIJHYAZ-TZIWHRDSSA-N 0 3 416.566 2.320 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C=C/c1ccc(I)o1 ZINC000770173662 1078769421 /nfs/dbraw/zinc/76/94/21/1078769421.db2.gz IDCYWJYPXSYUCX-DIECRNLCSA-N 0 3 417.291 2.040 20 0 HEADHN COc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000746113453 1078792646 /nfs/dbraw/zinc/79/26/46/1078792646.db2.gz KCTPHFKKXLDREO-MRXNPFEDSA-N 0 3 424.501 2.296 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000770274697 1078802560 /nfs/dbraw/zinc/80/25/60/1078802560.db2.gz QMMRFNQLKHFRKX-RDJZCZTQSA-N 0 3 405.470 2.065 20 0 HEADHN Cc1nccn1-c1ncccc1CNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000746155961 1078808344 /nfs/dbraw/zinc/80/83/44/1078808344.db2.gz SNHVAVUOOHWQKU-UHFFFAOYSA-N 0 3 404.518 2.404 20 0 HEADHN CCN1CCN(CCC(=O)N(C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000746193494 1078821453 /nfs/dbraw/zinc/82/14/53/1078821453.db2.gz SZTYQISIBVSUGY-UHFFFAOYSA-N 0 3 408.587 2.405 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CC1=O ZINC000746229859 1078822248 /nfs/dbraw/zinc/82/22/48/1078822248.db2.gz UQXIDPYCYPDQJE-IBGZPJMESA-N 0 3 409.486 2.392 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1=O ZINC000746213215 1078823639 /nfs/dbraw/zinc/82/36/39/1078823639.db2.gz NYXHXICTTYHRBG-INIZCTEOSA-N 0 3 413.449 2.394 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NCCC3N=NC(=S)N3C(C)C)CC2)c1 ZINC000746238767 1078828953 /nfs/dbraw/zinc/82/89/53/1078828953.db2.gz SXCSXWSNENYLRU-UHFFFAOYSA-N 0 3 416.595 2.327 20 0 HEADHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000770361948 1078830435 /nfs/dbraw/zinc/83/04/35/1078830435.db2.gz LWOJVWZQHRSFHS-ZWKOTPCHSA-N 0 3 401.555 2.200 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)CC2)c1 ZINC000746303741 1078848128 /nfs/dbraw/zinc/84/81/28/1078848128.db2.gz UEXDBUSHSKSFMO-LJQANCHMSA-N 0 3 415.607 2.143 20 0 HEADHN Cc1nn(C)c(N2CCOCC2)c1CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000770386245 1078849383 /nfs/dbraw/zinc/84/93/83/1078849383.db2.gz MDRWWLVXFUDBIA-RDJZCZTQSA-N 0 3 407.559 2.300 20 0 HEADHN O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000746309167 1078849656 /nfs/dbraw/zinc/84/96/56/1078849656.db2.gz HUIYHEDRWXCWEZ-KRWDZBQOSA-N 0 3 412.456 2.211 20 0 HEADHN C[C@H]1NC(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000746361233 1078874642 /nfs/dbraw/zinc/87/46/42/1078874642.db2.gz XZLIZUAWGNRTEQ-NQIIRXRSSA-N 0 3 419.529 2.448 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000746378967 1078884150 /nfs/dbraw/zinc/88/41/50/1078884150.db2.gz HKJDHOQTAADPHR-UHFFFAOYSA-N 0 3 405.449 2.100 20 0 HEADHN C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)OCCN2CCCCC2)C1=O ZINC000770583284 1078896425 /nfs/dbraw/zinc/89/64/25/1078896425.db2.gz IZMIHGJVJUALHR-LJQANCHMSA-N 0 3 411.861 2.275 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000770593274 1078899915 /nfs/dbraw/zinc/89/99/15/1078899915.db2.gz ZHZCAKBUMIHRRL-FGTMMUONSA-N 0 3 411.591 2.100 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000770592720 1078900470 /nfs/dbraw/zinc/90/04/70/1078900470.db2.gz WRWPTEMNBQKFQF-KRWDZBQOSA-N 0 3 411.591 2.053 20 0 HEADHN COc1cccc(/C=C(\C(=O)N2CCN(C3CCCCC3)CC2)n2nnnc2C)c1 ZINC000766366009 1078920660 /nfs/dbraw/zinc/92/06/60/1078920660.db2.gz PQKJLXMSCVTFAS-LTGZKZEYSA-N 0 3 410.522 2.465 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CCN1CCOC ZINC000766381188 1078930260 /nfs/dbraw/zinc/93/02/60/1078930260.db2.gz RRDPLVJEVPNPMW-SIKLNZKXSA-N 0 3 402.539 2.234 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)CCN1CCOC ZINC000766378036 1078944971 /nfs/dbraw/zinc/94/49/71/1078944971.db2.gz VPDAMPZIVPQWDP-AVRDEDQJSA-N 0 3 402.539 2.152 20 0 HEADHN COC1CCN(CCNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766411750 1078965044 /nfs/dbraw/zinc/96/50/44/1078965044.db2.gz LNHJPESKLQEPRE-IBGZPJMESA-N 0 3 403.523 2.262 20 0 HEADHN CC[C@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H](O)c1ccccc1 ZINC000770749579 1079005512 /nfs/dbraw/zinc/00/55/12/1079005512.db2.gz FZNCGOYNDITYOL-FCHUYYIVSA-N 0 3 424.545 2.395 20 0 HEADHN C[C@@H]1CN(c2ccc(NC(=O)CN(CC(C)(C)O)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000746461925 1079015461 /nfs/dbraw/zinc/01/54/61/1079015461.db2.gz GJDICDDHDSCUTO-HDICACEKSA-N 0 3 419.566 2.491 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000770800501 1079022728 /nfs/dbraw/zinc/02/27/28/1079022728.db2.gz LEVFWYBPGWQPPY-ZDUSSCGKSA-N 0 3 400.495 2.082 20 0 HEADHN COC(=O)c1cc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c[nH]1 ZINC000766490044 1079029121 /nfs/dbraw/zinc/02/91/21/1079029121.db2.gz SVNYZDRZOCZRTH-UHFFFAOYSA-N 0 3 406.382 2.263 20 0 HEADHN COCOc1ccc(OC)cc1CNCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000766469780 1079021479 /nfs/dbraw/zinc/02/14/79/1079021479.db2.gz LLOIYMALUOOAJD-UHFFFAOYSA-N 0 3 419.566 2.492 20 0 HEADHN C[C@@H]1C[C@H](N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)CN1C(=O)OC(C)(C)C ZINC001168868789 1079058545 /nfs/dbraw/zinc/05/85/45/1079058545.db2.gz UYVTZVVASSBWTG-AEFFLSMTSA-N 0 3 407.555 2.488 20 0 HEADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766516368 1079059341 /nfs/dbraw/zinc/05/93/41/1079059341.db2.gz WXGKWQZHLPSZPG-UHFFFAOYSA-N 0 3 411.325 2.435 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](NCC2(F)CCOCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170018858 1079062042 /nfs/dbraw/zinc/06/20/42/1079062042.db2.gz AXCASLKEMCXOQI-CABCVRRESA-N 0 3 417.547 2.006 20 0 HEADHN CCN(Cc1ccncc1)C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC ZINC001168941766 1079081345 /nfs/dbraw/zinc/08/13/45/1079081345.db2.gz UHOWGBZPHNOAMW-LJQANCHMSA-N 0 3 410.474 2.316 20 0 HEADHN COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN(C)[C@H](C)c1ccncc1 ZINC001168951253 1079085319 /nfs/dbraw/zinc/08/53/19/1079085319.db2.gz YRNZNDBDNIUVRT-VQIMIIECSA-N 0 3 410.474 2.487 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(Cc4ccccc4)[C@@H](CO)C3)CC2=O)cc1 ZINC001168927900 1079086637 /nfs/dbraw/zinc/08/66/37/1079086637.db2.gz VEGQEILNVQKMHW-XZOQPEGZSA-N 0 3 423.557 2.365 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(c4ccc(OC)cn4)CC3)CC2=O)cc1 ZINC001168956514 1079090902 /nfs/dbraw/zinc/09/09/02/1079090902.db2.gz UVCSFFYLEAJQHS-IBGZPJMESA-N 0 3 410.518 2.412 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000771038745 1079112554 /nfs/dbraw/zinc/11/25/54/1079112554.db2.gz JUZILLKCBAEGHF-KRWDZBQOSA-N 0 3 418.515 2.237 20 0 HEADHN CN(C[C@](C)(O)CN1CC[C@@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165879 1079174222 /nfs/dbraw/zinc/17/42/22/1079174222.db2.gz ZTRKCGFKLLOGKU-ZHRRBRCNSA-N 0 3 418.538 2.137 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000771135833 1079186373 /nfs/dbraw/zinc/18/63/73/1079186373.db2.gz QRVNJKRSHXRSDD-HNNXBMFYSA-N 0 3 419.551 2.030 20 0 HEADHN CCOC(=O)c1sc2[nH]c([C@H](C)N[C@H]3CCC[C@@H]3C(=O)NC)nc(=O)c2c1C ZINC001169274076 1079215199 /nfs/dbraw/zinc/21/51/99/1079215199.db2.gz WUACMDAFWBTHIA-SRVKXCTJSA-N 0 3 406.508 2.035 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)CO1 ZINC001169375134 1079246192 /nfs/dbraw/zinc/24/61/92/1079246192.db2.gz UMNUWLCNACGHHG-ZJPYXAASSA-N 0 3 412.527 2.055 20 0 HEADHN COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2CN(C)C)C1=O ZINC000771262903 1079252392 /nfs/dbraw/zinc/25/23/92/1079252392.db2.gz GPGSDIUJIXGHTF-HSZRJFAPSA-N 0 3 424.501 2.471 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CO1 ZINC001169384854 1079256913 /nfs/dbraw/zinc/25/69/13/1079256913.db2.gz HCDTVDRHMNWXBU-VQTJNVASSA-N 0 3 415.534 2.458 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CO1 ZINC001169400187 1079273925 /nfs/dbraw/zinc/27/39/25/1079273925.db2.gz YLYIBTOITLOWHT-JIYIMXKPSA-N 0 3 408.470 2.334 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CO1 ZINC001169396148 1079268822 /nfs/dbraw/zinc/26/88/22/1079268822.db2.gz KYSRUKRSFJDNDJ-PXNSSMCTSA-N 0 3 416.518 2.124 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)CO1 ZINC001169400425 1079274710 /nfs/dbraw/zinc/27/47/10/1079274710.db2.gz YXGKFQWWMLTLFD-QXUYBEEESA-N 0 3 400.519 2.362 20 0 HEADHN C[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000771307454 1079276984 /nfs/dbraw/zinc/27/69/84/1079276984.db2.gz HIQUEACLWCNOIO-KRWDZBQOSA-N 0 3 417.554 2.420 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000771322424 1079287226 /nfs/dbraw/zinc/28/72/26/1079287226.db2.gz CLOHLPQDOVOGKA-QGZVFWFLSA-N 0 3 411.591 2.101 20 0 HEADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CN1CCSC3(CCOCC3)C1)OC2=O ZINC001169464007 1079307194 /nfs/dbraw/zinc/30/71/94/1079307194.db2.gz XPSLOYJOPFTPAR-OAHLLOKOSA-N 0 3 412.552 2.137 20 0 HEADHN CCN(CC)C(=O)C[C@H](C)N1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001169468657 1079309019 /nfs/dbraw/zinc/30/90/19/1079309019.db2.gz YJNRBMXMPDXTJW-KSFYIVLOSA-N 0 3 418.513 2.310 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O ZINC001169537841 1079325278 /nfs/dbraw/zinc/32/52/78/1079325278.db2.gz BQJHRMVQECZEBE-MOADCYBESA-N 0 3 421.541 2.420 20 0 HEADHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000771437342 1079344512 /nfs/dbraw/zinc/34/45/12/1079344512.db2.gz RXSQAHCMRGDYNH-GUDVDZBRSA-N 0 3 405.539 2.289 20 0 HEADHN CCOC(=O)N1CCC[C@@H](n2nc(C(=O)N3CCC[C@@H]3C)c3c2CCNC3)CC1 ZINC001169694437 1079374877 /nfs/dbraw/zinc/37/48/77/1079374877.db2.gz QQKJDISZGKMBHF-JKSUJKDBSA-N 0 3 403.527 2.337 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000771578120 1079378308 /nfs/dbraw/zinc/37/83/08/1079378308.db2.gz FZNBHPMYIFBTAL-FLVGQNKLSA-N 0 3 420.513 2.222 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000771583971 1079381126 /nfs/dbraw/zinc/38/11/26/1079381126.db2.gz XRKJYDHWQDBYSA-DDNKWHRWSA-N 0 3 409.486 2.420 20 0 HEADHN CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000771610929 1079396183 /nfs/dbraw/zinc/39/61/83/1079396183.db2.gz NVRSDGIPPJIOSS-ROUUACIJSA-N 0 3 419.522 2.224 20 0 HEADHN CC[C@]1(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C ZINC000771655952 1079426365 /nfs/dbraw/zinc/42/63/65/1079426365.db2.gz TVHHMDQXDSDENC-VGOFRKELSA-N 0 3 424.586 2.225 20 0 HEADHN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CCN1 ZINC001169829940 1079424480 /nfs/dbraw/zinc/42/44/80/1079424480.db2.gz FOYYJKWQUSXARC-FQEVSTJZSA-N 0 3 407.518 2.399 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000771659141 1079429274 /nfs/dbraw/zinc/42/92/74/1079429274.db2.gz ZPUPSJWXWMJQGH-IEBWSBKVSA-N 0 3 404.555 2.395 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC[C@@]3(CCN(Cc4cccnc4)C3=O)C2)CC1 ZINC001169880576 1079454603 /nfs/dbraw/zinc/45/46/03/1079454603.db2.gz PHTICVPKMSNNOG-GZNCHQMQSA-N 0 3 405.564 2.252 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC[C@@]3(CCN(Cc4ccncc4)C3=O)C2)CC1 ZINC001169884542 1079458366 /nfs/dbraw/zinc/45/83/66/1079458366.db2.gz GSFVANWVEDGQIF-GZNCHQMQSA-N 0 3 405.564 2.252 20 0 HEADHN Cn1c(=O)cc(Nc2cccc3cc([C@@H]4CNCCO4)cn32)n(-c2ccccc2)c1=O ZINC001169959693 1079495012 /nfs/dbraw/zinc/49/50/12/1079495012.db2.gz BQAOOJKKWHMUOD-IBGZPJMESA-N 0 3 417.469 2.193 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2nc(Cc3ccccc3F)oc2=S)CC1 ZINC000738162108 1075971324 /nfs/dbraw/zinc/97/13/24/1075971324.db2.gz WZGHVQQZVPMYDY-UHFFFAOYSA-N 0 3 419.526 2.133 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)N1CCC[C@@H](C)C1 ZINC000739066965 1076036358 /nfs/dbraw/zinc/03/63/58/1076036358.db2.gz JZAFCQUTRVKGTH-SQNIBIBYSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCCC[C@@H]1C ZINC000739073419 1076038154 /nfs/dbraw/zinc/03/81/54/1076038154.db2.gz ZVAGXXDORYYHNS-RCCFBDPRSA-N 0 3 402.539 2.229 20 0 HEADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739086295 1076042323 /nfs/dbraw/zinc/04/23/23/1076042323.db2.gz LFPSPRWFYVPLQE-PKOBYXMFSA-N 0 3 402.539 2.231 20 0 HEADHN CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739122461 1076047737 /nfs/dbraw/zinc/04/77/37/1076047737.db2.gz ZDHYKUYBPNMBBE-UHFFFAOYSA-N 0 3 420.941 2.457 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739696517 1076072914 /nfs/dbraw/zinc/07/29/14/1076072914.db2.gz JARGOQKHBUHZMD-IRXDYDNUSA-N 0 3 411.543 2.071 20 0 HEADHN C[C@H]1NC(C(=O)N(CCN2CCCC2)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000739799850 1076076128 /nfs/dbraw/zinc/07/61/28/1076076128.db2.gz HAMCWRIHMWONCR-GOSISDBHSA-N 0 3 405.502 2.454 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@](C)(O)c3cccs3)cc2)CC1 ZINC000740032945 1076097790 /nfs/dbraw/zinc/09/77/90/1076097790.db2.gz JCDVYFYTQJQHOR-NRFANRHFSA-N 0 3 402.564 2.202 20 0 HEADHN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000766253569 1076173041 /nfs/dbraw/zinc/17/30/41/1076173041.db2.gz YKYHTITXDJYAOF-QGZVFWFLSA-N 0 3 410.522 2.337 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000740804218 1076243857 /nfs/dbraw/zinc/24/38/57/1076243857.db2.gz ZZEKDPYLQVWPBA-INIZCTEOSA-N 0 3 408.506 2.125 20 0 HEADHN C[C@@H]1CN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740885222 1076284598 /nfs/dbraw/zinc/28/45/98/1076284598.db2.gz ZDBKFLJGGPQSSZ-BFYDXBDKSA-N 0 3 408.495 2.390 20 0 HEADHN CC[C@@H]1CN(CCCC(=O)NC(N)=O)[C@@H](CC)CN1C(=O)OCc1ccccc1 ZINC000740888078 1076289036 /nfs/dbraw/zinc/28/90/36/1076289036.db2.gz MLARARQLEMONJC-ZWKOTPCHSA-N 0 3 404.511 2.473 20 0 HEADHN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CN1[C@H](C)CC[C@H]1C ZINC000741139286 1076383100 /nfs/dbraw/zinc/38/31/00/1076383100.db2.gz KVHUBRBOBOHAFA-QZTJIDSGSA-N 0 3 402.539 2.183 20 0 HEADHN COC(=O)C1(C)CCC(N[C@@H](CO)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC1 ZINC001168772454 1076463871 /nfs/dbraw/zinc/46/38/71/1076463871.db2.gz KKZRNUPKXXDMAV-QQHGCPPCSA-N 0 3 416.474 2.112 20 0 HEADHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000741410297 1076513352 /nfs/dbraw/zinc/51/33/52/1076513352.db2.gz IUGVIPVHIWMHSU-UHFFFAOYSA-N 0 3 419.533 2.435 20 0 HEADHN CN(CCN1CCN(c2ccccc2)CC1)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000741410297 1076513357 /nfs/dbraw/zinc/51/33/57/1076513357.db2.gz IUGVIPVHIWMHSU-UHFFFAOYSA-N 0 3 419.533 2.435 20 0 HEADHN C[C@H](NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000741414730 1076515255 /nfs/dbraw/zinc/51/52/55/1076515255.db2.gz VFUIMUNSPLPGEM-BXKMTCNYSA-N 0 3 422.529 2.203 20 0 HEADHN COCC(=O)Nc1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000741394515 1076520222 /nfs/dbraw/zinc/52/02/22/1076520222.db2.gz MVQIWYFFUSGDEK-JOCHJYFZSA-N 0 3 412.490 2.030 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 ZINC000766271964 1076542038 /nfs/dbraw/zinc/54/20/38/1076542038.db2.gz WPPFTLCOXVMTFC-IBGZPJMESA-N 0 3 422.595 2.088 20 0 HEADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(N2CCOC2=O)ccc1F ZINC000741685305 1076585209 /nfs/dbraw/zinc/58/52/09/1076585209.db2.gz REZRURPDJPIVFE-UHFFFAOYSA-N 0 3 409.458 2.128 20 0 HEADHN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CC[C@H](N2CC=CC2)C1 ZINC000742163130 1076760796 /nfs/dbraw/zinc/76/07/96/1076760796.db2.gz QCZVKHTXKPYHAS-NRFANRHFSA-N 0 3 402.498 2.386 20 0 HEADHN CCN1C(=O)c2ccc(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)cc2S1(=O)=O ZINC000742397064 1076834084 /nfs/dbraw/zinc/83/40/84/1076834084.db2.gz LHBKCMSTECXAFY-GOSISDBHSA-N 0 3 415.515 2.192 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000742599146 1076854790 /nfs/dbraw/zinc/85/47/90/1076854790.db2.gz SHXMHDFIWOEHIX-QRVBRYPASA-N 0 3 403.523 2.274 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000743098087 1076953109 /nfs/dbraw/zinc/95/31/09/1076953109.db2.gz LQYXRJSIDPFLPU-QGZVFWFLSA-N 0 3 403.527 2.034 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000743141221 1076975037 /nfs/dbraw/zinc/97/50/37/1076975037.db2.gz XVVPAOXNCZZRLN-QGZVFWFLSA-N 0 3 407.534 2.057 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 ZINC000743243789 1077012979 /nfs/dbraw/zinc/01/29/79/1077012979.db2.gz MUUXBFUQEUUVFQ-MRXNPFEDSA-N 0 3 403.527 2.347 20 0 HEADHN CCN(CC)C(=O)[C@H]1CCCN1CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000743271637 1077021172 /nfs/dbraw/zinc/02/11/72/1077021172.db2.gz JDNZTPJPRWAXMF-OAQYLSRUSA-N 0 3 415.582 2.100 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCC(C4N=NC(=S)N4C)CC3)cc2)CC1 ZINC000743336106 1077029853 /nfs/dbraw/zinc/02/98/53/1077029853.db2.gz DFESVGZBWIIOIF-UHFFFAOYSA-N 0 3 414.579 2.266 20 0 HEADHN CCOC(=O)N(C)c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000743413222 1077048785 /nfs/dbraw/zinc/04/87/85/1077048785.db2.gz CCAAITXVBREQJU-MRXNPFEDSA-N 0 3 404.511 2.454 20 0 HEADHN CC(C)(C)OC(=O)N[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000743594209 1077077468 /nfs/dbraw/zinc/07/74/68/1077077468.db2.gz QYLOAOOFWVHRQA-GUDVDZBRSA-N 0 3 418.538 2.415 20 0 HEADHN C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)Oc1cccc(Br)c1 ZINC000743594663 1077077988 /nfs/dbraw/zinc/07/79/88/1077077988.db2.gz VVNBQEWBRLXQGK-FRFSOERESA-N 0 3 412.328 2.379 20 0 HEADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](Cc1ccccc1)N(C)C ZINC000743714737 1077095287 /nfs/dbraw/zinc/09/52/87/1077095287.db2.gz PZHCXAAUMGLPMY-ROUUACIJSA-N 0 3 424.998 2.467 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(N2CCOC2=O)ccc1F ZINC000743765328 1077117630 /nfs/dbraw/zinc/11/76/30/1077117630.db2.gz IADLZROQXSBLRJ-QFIPXVFZSA-N 0 3 413.449 2.149 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000743882942 1077171857 /nfs/dbraw/zinc/17/18/57/1077171857.db2.gz GGODDNFTANGPBS-HOCLYGCPSA-N 0 3 402.495 2.127 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000743885750 1077176845 /nfs/dbraw/zinc/17/68/45/1077176845.db2.gz ZVSMXGDLNSPHJL-CVEARBPZSA-N 0 3 402.495 2.269 20 0 HEADHN CCOC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@@H](C)N1CCCCC1)CCC2 ZINC000743894837 1077207372 /nfs/dbraw/zinc/20/73/72/1077207372.db2.gz BJYHINGICJEAQL-CYBMUJFWSA-N 0 3 407.536 2.343 20 0 HEADHN Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743897702 1077208800 /nfs/dbraw/zinc/20/88/00/1077208800.db2.gz SAOCKNYATODSAW-LSDHHAIUSA-N 0 3 402.495 2.127 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000743939142 1077232479 /nfs/dbraw/zinc/23/24/79/1077232479.db2.gz JCOHVYYYMCWTNA-XUVXKRRUSA-N 0 3 414.550 2.087 20 0 HEADHN CCOC(=O)Nc1ccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000743924421 1077248773 /nfs/dbraw/zinc/24/87/73/1077248773.db2.gz MXOXHIPWJAHWOO-UHFFFAOYSA-N 0 3 424.501 2.409 20 0 HEADHN CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000743972742 1077275293 /nfs/dbraw/zinc/27/52/93/1077275293.db2.gz VDGRQUVVRIYAFG-SFHVURJKSA-N 0 3 408.502 2.060 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCOC4(CCCCC4)C3)cc2)CC1 ZINC000743949393 1077278774 /nfs/dbraw/zinc/27/87/74/1077278774.db2.gz KKCASTAPTQFYOB-UHFFFAOYSA-N 0 3 414.550 2.329 20 0 HEADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)cc2)CC1 ZINC000743976902 1077291271 /nfs/dbraw/zinc/29/12/71/1077291271.db2.gz BPCYPTWCBFDBLH-JOCHJYFZSA-N 0 3 424.545 2.003 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000743977973 1077292081 /nfs/dbraw/zinc/29/20/81/1077292081.db2.gz BTHLFFGPNGNYNU-QGZVFWFLSA-N 0 3 424.501 2.243 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)c(C)c2)CC1 ZINC000743978106 1077292098 /nfs/dbraw/zinc/29/20/98/1077292098.db2.gz WKFMWLMMHASCEE-QFIPXVFZSA-N 0 3 424.545 2.315 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000743978838 1077292440 /nfs/dbraw/zinc/29/24/40/1077292440.db2.gz PMOBCJHMIBLKAB-ZDUSSCGKSA-N 0 3 403.870 2.461 20 0 HEADHN Cc1cc(I)ccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743978854 1077292532 /nfs/dbraw/zinc/29/25/32/1077292532.db2.gz QFERTTGPHZIQFE-LBPRGKRZSA-N 0 3 415.275 2.139 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000743981087 1077294079 /nfs/dbraw/zinc/29/40/79/1077294079.db2.gz IWTKEMWAGSOLQQ-CYBMUJFWSA-N 0 3 420.311 2.174 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000743980842 1077294165 /nfs/dbraw/zinc/29/41/65/1077294165.db2.gz MYYLPFBRNGVVGL-OAHLLOKOSA-N 0 3 420.469 2.026 20 0 HEADHN Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743982682 1077294388 /nfs/dbraw/zinc/29/43/88/1077294388.db2.gz XTVJVOOSXYIRKL-INIZCTEOSA-N 0 3 400.523 2.206 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000743983645 1077295488 /nfs/dbraw/zinc/29/54/88/1077295488.db2.gz XZCZCPQZRNCRIW-KURKYZTESA-N 0 3 414.550 2.344 20 0 HEADHN CCC[C@@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)CCN1CCOC ZINC000766320009 1077442166 /nfs/dbraw/zinc/44/21/66/1077442166.db2.gz LJVNFDNGLZPQHE-LJQANCHMSA-N 0 3 403.571 2.403 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CCNC(=O)CC(C)C)CC1 ZINC000745203784 1077774220 /nfs/dbraw/zinc/77/42/20/1077774220.db2.gz PVRQBCSRKSNHCO-UHFFFAOYSA-N 0 3 417.550 2.125 20 0 HEADHN COc1ccccc1[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1nccn1C ZINC000745401207 1077818325 /nfs/dbraw/zinc/81/83/25/1077818325.db2.gz QTFMWFFJVIUPAP-YLJYHZDGSA-N 0 3 415.538 2.270 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000745429479 1077824066 /nfs/dbraw/zinc/82/40/66/1077824066.db2.gz URBATDVOBXBXCX-FQEVSTJZSA-N 0 3 402.539 2.175 20 0 HEADHN NC(=O)c1ccsc1NC(=O)CCN1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000771792340 1079509308 /nfs/dbraw/zinc/50/93/08/1079509308.db2.gz VHZLRBJJQNPHIG-AWEZNQCLSA-N 0 3 416.551 2.373 20 0 HEADHN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CN[C@@H](CCO)C1CC1 ZINC000771794661 1079511479 /nfs/dbraw/zinc/51/14/79/1079511479.db2.gz HDOFDWCFOHLPMO-SFHVURJKSA-N 0 3 423.579 2.329 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@](C)(NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000766940738 1079528876 /nfs/dbraw/zinc/52/88/76/1079528876.db2.gz CDHRPKPNIMQXTH-HXUWFJFHSA-N 0 3 403.483 2.490 20 0 HEADHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NCCCCN1CCN(C)CC1 ZINC000771918465 1079570546 /nfs/dbraw/zinc/57/05/46/1079570546.db2.gz IYFFRYFMZKTEDO-MSOLQXFVSA-N 0 3 411.591 2.053 20 0 HEADHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nc2ccccc2s1 ZINC000767018626 1079590931 /nfs/dbraw/zinc/59/09/31/1079590931.db2.gz NMRVJIGVWKCRSL-HOCLYGCPSA-N 0 3 401.536 2.305 20 0 HEADHN O=C1C[C@@H](NCc2ccc(SC(F)(F)F)cc2)CN1CCN1CCOCC1 ZINC000771957049 1079603553 /nfs/dbraw/zinc/60/35/53/1079603553.db2.gz GEPXPWXQRJYLNW-OAHLLOKOSA-N 0 3 403.470 2.321 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000772049380 1079670659 /nfs/dbraw/zinc/67/06/59/1079670659.db2.gz HRJJDPDJUXCDMD-UHFFFAOYSA-N 0 3 411.550 2.188 20 0 HEADHN C[C@@H]1CC[C@H](C)N1CC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000767124712 1079691210 /nfs/dbraw/zinc/69/12/10/1079691210.db2.gz JKAASZCMANFOQQ-BETUJISGSA-N 0 3 408.442 2.348 20 0 HEADHN CCNc1nc(NCC[C@](O)(c2nccn2C)C(F)(F)F)nc(NC(C)(C)C)n1 ZINC000804349036 1079730954 /nfs/dbraw/zinc/73/09/54/1079730954.db2.gz IIBPMUSFOUSWAZ-INIZCTEOSA-N 0 3 416.452 2.499 20 0 HEADHN C[C@@H]1C[C@@H](NC(=O)NCCCCN2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000772343119 1079832517 /nfs/dbraw/zinc/83/25/17/1079832517.db2.gz GUZCHNSXTAHGPV-MSOLQXFVSA-N 0 3 411.591 2.101 20 0 HEADHN NC(=O)c1cc(OC2CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)CC2)ccn1 ZINC000772419864 1079866283 /nfs/dbraw/zinc/86/62/83/1079866283.db2.gz BPLQLFBDPBOEML-SFHVURJKSA-N 0 3 423.517 2.008 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2[C@@H]3CC[C@H]2CC(=O)C3)C[C@H]1C(=O)N1CCSC1 ZINC001170042996 1079873095 /nfs/dbraw/zinc/87/30/95/1079873095.db2.gz LWWTVTDHKJKJEV-DLTWYDFYSA-N 0 3 409.552 2.093 20 0 HEADHN COC[C@H]1CCCCN1[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170043650 1079890139 /nfs/dbraw/zinc/89/01/39/1079890139.db2.gz OCZCQCJTORELGT-IKGGRYGDSA-N 0 3 413.584 2.398 20 0 HEADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772633497 1079993948 /nfs/dbraw/zinc/99/39/48/1079993948.db2.gz QDIWHCQDZISFGL-IAGOWNOFSA-N 0 3 414.333 2.358 20 0 HEADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)O[C@@H](C)C2 ZINC000785497861 1080020650 /nfs/dbraw/zinc/02/06/50/1080020650.db2.gz AWDCLRAIPXTHRD-CVEARBPZSA-N 0 3 403.523 2.016 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)n(CC)c2C)CC1=O ZINC000785639675 1080086544 /nfs/dbraw/zinc/08/65/44/1080086544.db2.gz DMYBWKKMZULJJE-ZWKOTPCHSA-N 0 3 403.523 2.184 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000767781464 1080089466 /nfs/dbraw/zinc/08/94/66/1080089466.db2.gz YXLVNIDSJNIECS-JOCHJYFZSA-N 0 3 414.525 2.496 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NC[C@H]3CCN(C4CC4)C3)C[C@@H](C1)C2=O ZINC000767867195 1080190003 /nfs/dbraw/zinc/19/00/03/1080190003.db2.gz BFCDDLHHESCYRV-MGNMYUMUSA-N 0 3 405.539 2.049 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCC[C@]23CCOC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049606 1080213209 /nfs/dbraw/zinc/21/32/09/1080213209.db2.gz CIWUBEMDRQUAPQ-GQIGUUNPSA-N 0 3 411.568 2.152 20 0 HEADHN CCOC(=O)CN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)C1CCC1 ZINC000767876684 1080213540 /nfs/dbraw/zinc/21/35/40/1080213540.db2.gz RGWZPXNJDXAOTL-UHFFFAOYSA-N 0 3 402.539 2.185 20 0 HEADHN CNC(=O)[C@H](NC(=O)COC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000785709485 1080216472 /nfs/dbraw/zinc/21/64/72/1080216472.db2.gz QTODSAWNUUYKES-OAQYLSRUSA-N 0 3 409.486 2.043 20 0 HEADHN COCc1ccc([C@H]2CCCN2CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000767934852 1080230714 /nfs/dbraw/zinc/23/07/14/1080230714.db2.gz RBIULVGAQFLSLR-MRXNPFEDSA-N 0 3 418.494 2.239 20 0 HEADHN COc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1N1CCOC1=O ZINC000785838518 1080265814 /nfs/dbraw/zinc/26/58/14/1080265814.db2.gz OAWQKPNEPCSMQY-OAHLLOKOSA-N 0 3 418.494 2.369 20 0 HEADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CCCC2(C1)OCCO2 ZINC000768042015 1080308989 /nfs/dbraw/zinc/30/89/89/1080308989.db2.gz WMXMJAHKAOGZNI-UHFFFAOYSA-N 0 3 416.566 2.133 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCc4cccc(F)c4C3)cc2)CC1 ZINC000768126177 1080361263 /nfs/dbraw/zinc/36/12/63/1080361263.db2.gz CSGQYZXRSVYRKI-UHFFFAOYSA-N 0 3 410.493 2.491 20 0 HEADHN Cc1c(C(=O)N2CCC[C@@H](c3nccn3C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000768158580 1080377063 /nfs/dbraw/zinc/37/70/63/1080377063.db2.gz XHBRVOFMHIVPPN-GOSISDBHSA-N 0 3 419.533 2.317 20 0 HEADHN CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000768169316 1080382240 /nfs/dbraw/zinc/38/22/40/1080382240.db2.gz YQFZAYRJFIZJCT-OLZOCXBDSA-N 0 3 416.305 2.310 20 0 HEADHN C[C@@H]1C[C@H](N(C)C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CCN1C ZINC000768175040 1080386789 /nfs/dbraw/zinc/38/67/89/1080386789.db2.gz HRNBJJGKFWTTOG-AJYUKVHDSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@H]1[C@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164867 1080435183 /nfs/dbraw/zinc/43/51/83/1080435183.db2.gz BIZMKGPBYDATCX-JKSUJKDBSA-N 0 3 403.527 2.417 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768253641 1080443235 /nfs/dbraw/zinc/44/32/35/1080443235.db2.gz MLNZMNWXCCAIRN-TZIWHRDSSA-N 0 3 415.534 2.405 20 0 HEADHN O=C(NCCO)C1CCN(Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000768321594 1080484557 /nfs/dbraw/zinc/48/45/57/1080484557.db2.gz XDQVNKZOXWNAPG-UHFFFAOYSA-N 0 3 405.502 2.255 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001169991111 1080515020 /nfs/dbraw/zinc/51/50/20/1080515020.db2.gz SDPNFQPGODEOPY-OAQYLSRUSA-N 0 3 419.541 2.302 20 0 HEADHN COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000804368211 1080532914 /nfs/dbraw/zinc/53/29/14/1080532914.db2.gz AFWRCBSCXJWRJZ-IBGZPJMESA-N 0 3 413.440 2.153 20 0 HEADHN C[C@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000768765392 1080753233 /nfs/dbraw/zinc/75/32/33/1080753233.db2.gz DMRFHEQMRNRXJY-CVDCTZTESA-N 0 3 408.546 2.260 20 0 HEADHN CS(=O)(=O)c1ccc(NC(=O)COC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786828473 1080827318 /nfs/dbraw/zinc/82/73/18/1080827318.db2.gz NJXZXRCDNWQFPG-UHFFFAOYSA-N 0 3 416.499 2.020 20 0 HEADHN COC(=O)c1ccccc1N(C)C(=O)COC(=O)CCN1CCc2ccccc2C1 ZINC000786815638 1080841513 /nfs/dbraw/zinc/84/15/13/1080841513.db2.gz GEVCPYKDZJDLQN-UHFFFAOYSA-N 0 3 410.470 2.428 20 0 HEADHN C[C@H](NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786855092 1080853267 /nfs/dbraw/zinc/85/32/67/1080853267.db2.gz XVYBYGTVZXQJLO-IBGZPJMESA-N 0 3 421.545 2.211 20 0 HEADHN O=C(OCC1CCN(Cc2ccco2)CC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000772692230 1080885620 /nfs/dbraw/zinc/88/56/20/1080885620.db2.gz VCEIKZZEMGCRNI-UHFFFAOYSA-N 0 3 424.457 2.494 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1cccc(N2CCOC2=O)c1 ZINC000787035754 1080958791 /nfs/dbraw/zinc/95/87/91/1080958791.db2.gz NUNXCMIBOUJNAP-INIZCTEOSA-N 0 3 402.495 2.038 20 0 HEADHN CCNC(=O)COc1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1OC ZINC000769192916 1080966529 /nfs/dbraw/zinc/96/65/29/1080966529.db2.gz VUWDKACDKPAECK-IBGZPJMESA-N 0 3 406.523 2.370 20 0 HEADHN CCn1nc(C)c(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1C ZINC000769193292 1080968670 /nfs/dbraw/zinc/96/86/70/1080968670.db2.gz VRXVDFBRRIOCKM-KRWDZBQOSA-N 0 3 407.559 2.373 20 0 HEADHN CCN(CCO)CCNC(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 ZINC000769222497 1081007076 /nfs/dbraw/zinc/00/70/76/1081007076.db2.gz MJRGCRNBOQLMTL-UHFFFAOYSA-N 0 3 419.551 2.082 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cn(C)nc1-c1cccnc1 ZINC000769335675 1081046693 /nfs/dbraw/zinc/04/66/93/1081046693.db2.gz WMJQWVRZCQSFJT-UHFFFAOYSA-N 0 3 414.554 2.467 20 0 HEADHN COC(=O)C1=NOC2(C1)CCN([C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)CC2 ZINC000787292324 1081095580 /nfs/dbraw/zinc/09/55/80/1081095580.db2.gz FHYJIIVDGZTXKT-GOSISDBHSA-N 0 3 421.444 2.240 20 0 HEADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000787269284 1081102454 /nfs/dbraw/zinc/10/24/54/1081102454.db2.gz CMQNFTGJHRPOCR-SJORKVTESA-N 0 3 423.439 2.247 20 0 HEADHN CN1CCN(c2ncc(CN(C3CC3)[C@H]3CCN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000769530321 1081110200 /nfs/dbraw/zinc/11/02/00/1081110200.db2.gz JWDOGPHWMYHREW-IBGZPJMESA-N 0 3 416.570 2.202 20 0 HEADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000769537884 1081114647 /nfs/dbraw/zinc/11/46/47/1081114647.db2.gz NUCUHNCCOPAWAK-NEWSRXKRSA-N 0 3 420.554 2.082 20 0 HEADHN CCN(CCO)CCNC(=O)c1ccc(NS(=O)(=O)/C=C\c2ccccc2)cc1 ZINC000769635299 1081152432 /nfs/dbraw/zinc/15/24/32/1081152432.db2.gz HXMBMJGYFSOXCX-ATVHPVEESA-N 0 3 417.531 2.143 20 0 HEADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164633798 719138786 /nfs/dbraw/zinc/13/87/86/719138786.db2.gz SUVLYPRYIZGAFD-AWEZNQCLSA-N 0 3 400.788 2.432 20 0 HEADHN COc1nc(Cl)ncc1C(F)(F)n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164680566 719634494 /nfs/dbraw/zinc/63/44/94/719634494.db2.gz WFXLPFGHYJYXSX-UHFFFAOYSA-N 0 3 400.861 2.419 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nnc(Cl)cc1-c1ccncc1)CC2 ZINC001164685017 719702267 /nfs/dbraw/zinc/70/22/67/719702267.db2.gz PXFJLLWISPLHFR-UHFFFAOYSA-N 0 3 400.914 2.373 20 0 HEADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738145 720635555 /nfs/dbraw/zinc/63/55/55/720635555.db2.gz ALACVPUNYCEAFG-HZPDHXFCSA-N 0 3 409.881 2.324 20 0 HEADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741396 720714276 /nfs/dbraw/zinc/71/42/76/720714276.db2.gz SXAKCBBYLFQFNK-QZTJIDSGSA-N 0 3 414.941 2.463 20 0 HEADHN c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164745876 720754457 /nfs/dbraw/zinc/75/44/57/720754457.db2.gz WBTTWPRRFLAEFD-ZWKOTPCHSA-N 0 3 417.517 2.362 20 0 HEADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2)C1 ZINC001164744176 720758945 /nfs/dbraw/zinc/75/89/45/720758945.db2.gz RJPCPALNXHMETL-RLLQIKCJSA-N 0 3 422.533 2.086 20 0 HEADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164749910 720785746 /nfs/dbraw/zinc/78/57/46/720785746.db2.gz USRBTRMVZNLIEO-ZWKOTPCHSA-N 0 3 403.490 2.287 20 0 HEADHN c1cc(-c2nc(C3CC3)no2)cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742734 720797836 /nfs/dbraw/zinc/79/78/36/720797836.db2.gz DEOCLMJUJIMRQV-IAGOWNOFSA-N 0 3 405.462 2.141 20 0 HEADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870939 721044923 /nfs/dbraw/zinc/04/49/23/721044923.db2.gz XNFZDGMEQDOYEN-HOTGVXAUSA-N 0 3 402.882 2.396 20 0 HEADHN Cc1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C(N)=O ZINC001164867066 721050586 /nfs/dbraw/zinc/05/05/86/721050586.db2.gz HFJRPSGVGLIOFN-JKSUJKDBSA-N 0 3 401.898 2.017 20 0 HEADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866259 721051649 /nfs/dbraw/zinc/05/16/49/721051649.db2.gz DIJAERXGGPGNEN-IRXDYDNUSA-N 0 3 402.882 2.396 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164864982 721087141 /nfs/dbraw/zinc/08/71/41/721087141.db2.gz HWIUCXQAKNQBPP-MSOLQXFVSA-N 0 3 410.522 2.336 20 0 HEADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)C[C@@H]3C2)cn1 ZINC001164770476 721090041 /nfs/dbraw/zinc/09/00/41/721090041.db2.gz QMNYVYDSAYPNCB-SJORKVTESA-N 0 3 406.490 2.093 20 0 HEADHN COc1cc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164772648 721091764 /nfs/dbraw/zinc/09/17/64/721091764.db2.gz VJHNURRRXLHWPN-SJORKVTESA-N 0 3 408.506 2.339 20 0 HEADHN CC(C)(C)NC(=O)c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865127 721118105 /nfs/dbraw/zinc/11/81/05/721118105.db2.gz INOSHPPSDDGGIP-UXHICEINSA-N 0 3 409.534 2.485 20 0 HEADHN CCOC(=O)c1ccc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164762713 721133763 /nfs/dbraw/zinc/13/37/63/721133763.db2.gz DHXQXOZHRDYTGF-RTBURBONSA-N 0 3 420.517 2.498 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]c-2n1 ZINC001164764029 721167544 /nfs/dbraw/zinc/16/75/44/721167544.db2.gz GCKFFUAKZPLBBE-MSOLQXFVSA-N 0 3 408.506 2.431 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2[nH]1 ZINC001164764029 721167548 /nfs/dbraw/zinc/16/75/48/721167548.db2.gz GCKFFUAKZPLBBE-MSOLQXFVSA-N 0 3 408.506 2.431 20 0 HEADHN CN(Cc1ccc(N2CCn3cc(CNC(=O)c4cccn4C)nc3C2)nc1)C1CC1 ZINC001164870560 721200634 /nfs/dbraw/zinc/20/06/34/721200634.db2.gz VQQCOMCLUFEYQZ-UHFFFAOYSA-N 0 3 419.533 2.161 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1N1CCCC1 ZINC001164887202 721378574 /nfs/dbraw/zinc/37/85/74/721378574.db2.gz HIBXTJDVMFVVCB-NFBKMPQASA-N 0 3 414.598 2.151 20 0 HEADHN CCN(C)c1cc(C)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164887857 721378837 /nfs/dbraw/zinc/37/88/37/721378837.db2.gz IRBLOXYCBNOUPG-KNQAVFIVSA-N 0 3 402.587 2.007 20 0 HEADHN COc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164888534 721378936 /nfs/dbraw/zinc/37/89/36/721378936.db2.gz JZGOSPVYFFVWRL-AVRDEDQJSA-N 0 3 418.586 2.071 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NC1CC1 ZINC001164890869 721379229 /nfs/dbraw/zinc/37/92/29/721379229.db2.gz OSJHMCGSHFKGJW-DENIHFKCSA-N 0 3 400.571 2.125 20 0 HEADHN Cc1cc(N2CCCC2)nc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1 ZINC001164894475 721379387 /nfs/dbraw/zinc/37/93/87/721379387.db2.gz YHGFDWNIKPCEHZ-OFNKIYASSA-N 0 3 414.598 2.151 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887142 721407153 /nfs/dbraw/zinc/40/71/53/721407153.db2.gz LDMHXCGPYIAFCF-QRWLVFNGSA-N 0 3 404.946 2.377 20 0 HEADHN CCN(CC)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164885609 721424333 /nfs/dbraw/zinc/42/43/33/721424333.db2.gz GSTBQLYEDVCQHU-KNQAVFIVSA-N 0 3 402.587 2.088 20 0 HEADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164900016 721514265 /nfs/dbraw/zinc/51/42/65/721514265.db2.gz NBUNWNPQXREPFE-UNMCSNQZSA-N 0 3 412.509 2.395 20 0 HEADHN CCOC(=O)c1cnc(OC)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903994 721530267 /nfs/dbraw/zinc/53/02/67/721530267.db2.gz DTQAQYGDNUNRLN-DOTOQJQBSA-N 0 3 416.453 2.143 20 0 HEADHN O=C(CO[C@@H]1CO[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)N1CCCC1 ZINC001164939560 721918752 /nfs/dbraw/zinc/91/87/52/721918752.db2.gz UPSZYWVIVRFRHF-REWPJTCUSA-N 0 3 414.550 2.054 20 0 HEADHN O=C1COC2(CCN(c3ncccc3CN3CCCC3)CC2)CN1Cc1cccnc1 ZINC001164951816 722003156 /nfs/dbraw/zinc/00/31/56/722003156.db2.gz JHRNVDYOKONRKK-UHFFFAOYSA-N 0 3 421.545 2.470 20 0 HEADHN COc1cnc(SC)nc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984362 722102382 /nfs/dbraw/zinc/10/23/82/722102382.db2.gz SUFITKBBKVFUSS-WMZOPIPTSA-N 0 3 401.536 2.329 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164978244 722109287 /nfs/dbraw/zinc/10/92/87/722109287.db2.gz OAMRASXJOREFNI-HZPDHXFCSA-N 0 3 413.913 2.437 20 0 HEADHN C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164975602 722120797 /nfs/dbraw/zinc/12/07/97/722120797.db2.gz JZASBJGFCDKGLM-BPQIPLTHSA-N 0 3 408.506 2.045 20 0 HEADHN F[C@H](Oc1ccc(Cl)nn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975313 722156976 /nfs/dbraw/zinc/15/69/76/722156976.db2.gz SCZNALNGQSVXOM-MDZRGWNJSA-N 0 3 407.877 2.380 20 0 HEADHN CCOC(=O)c1ccc(N2CC(N[C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331399 1078492366 /nfs/dbraw/zinc/49/23/66/1078492366.db2.gz LWIHTXJDZVEXQF-DLBZAZTESA-N 0 3 404.511 2.482 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000766333190 1078596751 /nfs/dbraw/zinc/59/67/51/1078596751.db2.gz HWWZOCDLVZOYQK-GOSISDBHSA-N 0 3 424.586 2.227 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000766334660 1078615969 /nfs/dbraw/zinc/61/59/69/1078615969.db2.gz YRELUMAYKLQOKA-OAQYLSRUSA-N 0 3 408.502 2.039 20 0 HEADHN CCC[C@@]1(CO)CCCN1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000769914283 1078632450 /nfs/dbraw/zinc/63/24/50/1078632450.db2.gz YIAIICAIMCEWKK-KNQAVFIVSA-N 0 3 401.507 2.485 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2)cc1 ZINC000745796494 1078651118 /nfs/dbraw/zinc/65/11/18/1078651118.db2.gz TZLHJTRPWKOJSV-CTNGQTDRSA-N 0 3 415.582 2.206 20 0 HEADHN CN(C)C(=O)C[C@@H]1CN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c2ccc(Cl)cc21 ZINC000745803235 1078653516 /nfs/dbraw/zinc/65/35/16/1078653516.db2.gz QNUZUAAAJQPNRQ-HYVNUMGLSA-N 0 3 420.941 2.295 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745811612 1078656329 /nfs/dbraw/zinc/65/63/29/1078656329.db2.gz YFRSZJIXTIOJAJ-ROUUACIJSA-N 0 3 412.575 2.386 20 0 HEADHN CCOC(=O)N1CC[C@H](N[C@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)C1 ZINC000769987400 1078675357 /nfs/dbraw/zinc/67/53/57/1078675357.db2.gz LYJFKYITNOODFX-RBUKOAKNSA-N 0 3 422.957 2.399 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863169 1078678152 /nfs/dbraw/zinc/67/81/52/1078678152.db2.gz RXQIEWAWGWVNQI-RXVVDRJESA-N 0 3 406.571 2.080 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)CC1 ZINC000745863167 1078678248 /nfs/dbraw/zinc/67/82/48/1078678248.db2.gz RXQIEWAWGWVNQI-GHTZIAJQSA-N 0 3 406.571 2.080 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N3CCC(S(=O)(=O)CC)CC3)cc2)CC1 ZINC000770058461 1078686558 /nfs/dbraw/zinc/68/65/58/1078686558.db2.gz ZIDSHDMIINEZHK-UHFFFAOYSA-N 0 3 408.568 2.260 20 0 HEADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@H]3CN4CCC[C@H]4CO3)ccc2NC1=O ZINC000745933576 1078701145 /nfs/dbraw/zinc/70/11/45/1078701145.db2.gz VOHJSBPCNKBDRQ-MBGYTDRXSA-N 0 3 402.495 2.020 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)[C@@H](c1ccccc1)N(C)C ZINC000770044070 1078702441 /nfs/dbraw/zinc/70/24/41/1078702441.db2.gz COEAMJRWCMVLSJ-GRWTVWFQSA-N 0 3 408.502 2.261 20 0 HEADHN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)[C@@H](c1ccccc1)N(C)C ZINC000770046413 1078702925 /nfs/dbraw/zinc/70/29/25/1078702925.db2.gz GMSGGAUOMJWNPI-GKCIPKSASA-N 0 3 411.481 2.053 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@H](C)O[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000745946292 1078705284 /nfs/dbraw/zinc/70/52/84/1078705284.db2.gz RTUMXVOMYOPCNQ-YJBOKZPZSA-N 0 3 414.472 2.419 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@H](c1ccccc1)N(C)C ZINC000770053332 1078706761 /nfs/dbraw/zinc/70/67/61/1078706761.db2.gz ZHBZHZHENTYAOU-VZDNWZCBSA-N 0 3 420.513 2.188 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN(CC(=O)N(C)C)c3ccccc3)cc2)CC1 ZINC000745986847 1078720254 /nfs/dbraw/zinc/72/02/54/1078720254.db2.gz RJJKOKSKMJGTDF-UHFFFAOYSA-N 0 3 423.561 2.362 20 0 HEADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2F)C[C@@H](C)O1 ZINC000746041160 1078748855 /nfs/dbraw/zinc/74/88/55/1078748855.db2.gz PVEUSMICDJHKAC-AHCXZYCDSA-N 0 3 418.513 2.073 20 0 HEADHN CC(C)N1CCC[C@@H](CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 ZINC000746185704 1078812294 /nfs/dbraw/zinc/81/22/94/1078812294.db2.gz XSUDDWPRJQOPJJ-AWEZNQCLSA-N 0 3 424.498 2.033 20 0 HEADHN Cc1occc1-c1cc(NC(=O)[C@]2(O)CCN(Cc3ccccc3)C2)n(CCO)n1 ZINC000746207540 1078818649 /nfs/dbraw/zinc/81/86/49/1078818649.db2.gz NWEWHXYEASCTLV-QFIPXVFZSA-N 0 3 410.474 2.019 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000770298936 1078821516 /nfs/dbraw/zinc/82/15/16/1078821516.db2.gz MOSIPBWZKGIKQT-ZWKOTPCHSA-N 0 3 408.587 2.166 20 0 HEADHN CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746274756 1078840940 /nfs/dbraw/zinc/84/09/40/1078840940.db2.gz DMHFXIXSIVDVHV-HNNXBMFYSA-N 0 3 411.543 2.364 20 0 HEADHN CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746274756 1078840943 /nfs/dbraw/zinc/84/09/43/1078840943.db2.gz DMHFXIXSIVDVHV-HNNXBMFYSA-N 0 3 411.543 2.364 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccc(Br)cc1F ZINC000770405915 1078843468 /nfs/dbraw/zinc/84/34/68/1078843468.db2.gz OUSFTZMPVJOYJA-CQSZACIVSA-N 0 3 415.351 2.456 20 0 HEADHN CCNC(=O)COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000770387393 1078849645 /nfs/dbraw/zinc/84/96/45/1078849645.db2.gz PSQOCCFLXMCSPM-RBUKOAKNSA-N 0 3 416.522 2.032 20 0 HEADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766343119 1078858797 /nfs/dbraw/zinc/85/87/97/1078858797.db2.gz LCSBJJURPYINBV-UHFFFAOYSA-N 0 3 405.296 2.373 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770520717 1078882869 /nfs/dbraw/zinc/88/28/69/1078882869.db2.gz GQXSHRXPTGYHGQ-UXHICEINSA-N 0 3 403.523 2.214 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770520719 1078882896 /nfs/dbraw/zinc/88/28/96/1078882896.db2.gz GQXSHRXPTGYHGQ-WOJBJXKFSA-N 0 3 403.523 2.214 20 0 HEADHN Cn1cc(N2CCN(Cn3ccc(=O)c4cccc(Br)c43)CC2)cn1 ZINC000746381328 1078887118 /nfs/dbraw/zinc/88/71/18/1078887118.db2.gz CPCSDTRWIUHWHR-UHFFFAOYSA-N 0 3 402.296 2.277 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000770605494 1078913191 /nfs/dbraw/zinc/91/31/91/1078913191.db2.gz LSOIGMHPZKPREX-QZTJIDSGSA-N 0 3 411.591 2.101 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000746423680 1078918599 /nfs/dbraw/zinc/91/85/99/1078918599.db2.gz XBRGESLJGFTGER-CYBMUJFWSA-N 0 3 409.412 2.430 20 0 HEADHN Cc1ccc([C@H](CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)N(C)C)cc1 ZINC000065469088 1078919565 /nfs/dbraw/zinc/91/95/65/1078919565.db2.gz KBMZPJXDYJBYPO-FQEVSTJZSA-N 0 3 418.563 2.017 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770625953 1078920861 /nfs/dbraw/zinc/92/08/61/1078920861.db2.gz NUUPUISHTCICDE-QUCCMNQESA-N 0 3 401.507 2.015 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770625957 1078920906 /nfs/dbraw/zinc/92/09/06/1078920906.db2.gz NUUPUISHTCICDE-UYAOXDASSA-N 0 3 401.507 2.015 20 0 HEADHN CCC[NH+]1CCC(C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770670555 1078926984 /nfs/dbraw/zinc/92/69/84/1078926984.db2.gz OUJLFHNPLKWCHA-UHFFFAOYSA-N 0 3 415.002 2.205 20 0 HEADHN CNC(=O)c1nn(CN2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c(=O)c2ccccc21 ZINC000766373256 1078941266 /nfs/dbraw/zinc/94/12/66/1078941266.db2.gz FPJPODADPQJHHP-QZTJIDSGSA-N 0 3 419.529 2.308 20 0 HEADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766402931 1078954163 /nfs/dbraw/zinc/95/41/63/1078954163.db2.gz AEENFFYBCPZLSD-NRFANRHFSA-N 0 3 416.566 2.131 20 0 HEADHN COC1CCN(CCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766411752 1078964791 /nfs/dbraw/zinc/96/47/91/1078964791.db2.gz LNHJPESKLQEPRE-LJQANCHMSA-N 0 3 403.523 2.262 20 0 HEADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000770697743 1078966629 /nfs/dbraw/zinc/96/66/29/1078966629.db2.gz CPYZWXWFGHLCAV-CPNJWEJPSA-N 0 3 422.522 2.175 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCCc3c(C)noc3C)c2)CC1 ZINC000770746236 1079002132 /nfs/dbraw/zinc/00/21/32/1079002132.db2.gz AJPUNQFSUCZSPK-UHFFFAOYSA-N 0 3 413.522 2.121 20 0 HEADHN CC(C)CNC(=O)c1ccccc1NC(=O)CN(CC(C)(C)O)C1CCOCC1 ZINC000746463522 1079022514 /nfs/dbraw/zinc/02/25/14/1079022514.db2.gz UMPCYAUAZIRWBT-UHFFFAOYSA-N 0 3 405.539 2.263 20 0 HEADHN COC(=O)[C@H](CN[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168818900 1079051691 /nfs/dbraw/zinc/05/16/91/1079051691.db2.gz UFGXHTORNHAHTI-IHRRRGAJSA-N 0 3 401.504 2.040 20 0 HEADHN CCN1C[C@H]2CCN([C@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001168852420 1079052233 /nfs/dbraw/zinc/05/22/33/1079052233.db2.gz BYLZUOQKGQCRGO-VVLHAWIVSA-N 0 3 401.573 2.130 20 0 HEADHN C[C@@H]1C[C@@H](N2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869891 1079059301 /nfs/dbraw/zinc/05/93/01/1079059301.db2.gz YUKDHBOUAMPYAS-KBAYOESNSA-N 0 3 417.554 2.256 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](NCC2(F)CCOCC2)C[C@H]1C(=O)N1CCSC1 ZINC001170018862 1079061951 /nfs/dbraw/zinc/06/19/51/1079061951.db2.gz AXCASLKEMCXOQI-GJZGRUSLSA-N 0 3 417.547 2.006 20 0 HEADHN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN[C@@H](CO)c2cnn(C)c2)cc1 ZINC001169043062 1079109207 /nfs/dbraw/zinc/10/92/07/1079109207.db2.gz CTBZSNJATSXFMY-LPHOPBHVSA-N 0 3 404.511 2.360 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3C[C@@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605324 1079155335 /nfs/dbraw/zinc/15/53/35/1079155335.db2.gz UMFIMEAOSSQEMJ-VQTJNVASSA-N 0 3 416.566 2.477 20 0 HEADHN COC(=O)[C@@](C)(N)Cc1cn(-c2ccc(N3CCN(C)CC3)cn2)c2ccccc12 ZINC001169112855 1079160307 /nfs/dbraw/zinc/16/03/07/1079160307.db2.gz MXOUKLNPUSCZQC-QHCPKHFHSA-N 0 3 407.518 2.210 20 0 HEADHN Cc1ccc(F)c(CN[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1F ZINC001169162186 1079171155 /nfs/dbraw/zinc/17/11/55/1079171155.db2.gz JUPCYPOGGPPLPN-AWEZNQCLSA-N 0 3 419.476 2.369 20 0 HEADHN CCOC(=O)c1sc2[nH]c([C@H](C)N[C@H]3CCC[C@H]3C(=O)NC)nc(=O)c2c1C ZINC001169274077 1079215066 /nfs/dbraw/zinc/21/50/66/1079215066.db2.gz WUACMDAFWBTHIA-TUAOUCFPSA-N 0 3 406.508 2.035 20 0 HEADHN O=C(OC1CCC(N2CCC(N3CCS(=O)(=O)CC3)CC2)CC1)c1ccccc1 ZINC001169304816 1079230654 /nfs/dbraw/zinc/23/06/54/1079230654.db2.gz NLALEPKKQXNPCT-UHFFFAOYSA-N 0 3 420.575 2.349 20 0 HEADHN C[C@@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000746505572 1079233774 /nfs/dbraw/zinc/23/37/74/1079233774.db2.gz KTLNCVYEHGIAKL-VGOFRKELSA-N 0 3 400.523 2.030 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391797 1079261578 /nfs/dbraw/zinc/26/15/78/1079261578.db2.gz KDNJDDXLMAGQMQ-LZNRXBQRSA-N 0 3 421.513 2.250 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CO1 ZINC001169383747 1079254999 /nfs/dbraw/zinc/25/49/99/1079254999.db2.gz BNNFOQMYUFSMNN-XAPVIXHLSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N(CCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169415938 1079276014 /nfs/dbraw/zinc/27/60/14/1079276014.db2.gz FVROOROMYRPTOB-BBWFWOEESA-N 0 3 400.516 2.055 20 0 HEADHN CCN(C[C@H]1CCCO1)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746507081 1079294438 /nfs/dbraw/zinc/29/44/38/1079294438.db2.gz SBKUMLIPRSMALT-KNQAVFIVSA-N 0 3 400.523 2.031 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001169528360 1079324062 /nfs/dbraw/zinc/32/40/62/1079324062.db2.gz VGDLWXHWBBXKPN-OXQOHEQNSA-N 0 3 401.532 2.116 20 0 HEADHN Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NCCCN2CCc3ccccc3C2)cn1 ZINC000766757566 1079337704 /nfs/dbraw/zinc/33/77/04/1079337704.db2.gz NIDODZFLHMNMGT-YADHBBJMSA-N 0 3 411.550 2.466 20 0 HEADHN CC(=O)N1CCC[C@@H](N[C@@H](CN)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001169594374 1079337801 /nfs/dbraw/zinc/33/78/01/1079337801.db2.gz NLRCYQBBWINECB-HXOBKFHXSA-N 0 3 407.514 2.270 20 0 HEADHN CCOC(=O)N1CCC[C@@H](N2CCN(c3ccnc(N4CCCC4)n3)CC2)CC1 ZINC001169706816 1079381017 /nfs/dbraw/zinc/38/10/17/1079381017.db2.gz NCPUJDLYKJHHJX-GOSISDBHSA-N 0 3 402.543 2.210 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CCN(c3ccnc(N4CCCC4)n3)CC2)CC1 ZINC001169706819 1079381249 /nfs/dbraw/zinc/38/12/49/1079381249.db2.gz NCPUJDLYKJHHJX-SFHVURJKSA-N 0 3 402.543 2.210 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(F)nc2)C[C@H]1C(=O)N1CCSC1 ZINC001170028849 1079386916 /nfs/dbraw/zinc/38/69/16/1079386916.db2.gz FMJLXDIIXIIIQM-GJZGRUSLSA-N 0 3 410.515 2.221 20 0 HEADHN c1ccc2c(c1)cc(N1CCOCC1)nc2NCc1ccc(N2CCOCC2)nn1 ZINC001169739328 1079393908 /nfs/dbraw/zinc/39/39/08/1079393908.db2.gz ZBFVOVICCBHYQU-UHFFFAOYSA-N 0 3 406.490 2.310 20 0 HEADHN Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000771657149 1079427283 /nfs/dbraw/zinc/42/72/83/1079427283.db2.gz JVIHZAUTQLENSE-KRWDZBQOSA-N 0 3 416.595 2.075 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000771660335 1079430042 /nfs/dbraw/zinc/43/00/42/1079430042.db2.gz GLGIXUBFMCURKN-IBGZPJMESA-N 0 3 402.539 2.102 20 0 HEADHN Cc1oc(-c2ccccc2F)nc1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000737829410 1075933824 /nfs/dbraw/zinc/93/38/24/1075933824.db2.gz CAVBQIOHKRFSKI-KRWDZBQOSA-N 0 3 402.470 2.462 20 0 HEADHN COc1cccc(-n2ccn(CN3CCN(C(=O)CN4CCCC4)CC3)c2=S)c1 ZINC000738161938 1075971268 /nfs/dbraw/zinc/97/12/68/1075971268.db2.gz WIOZIZACMYPQHT-UHFFFAOYSA-N 0 3 415.563 2.214 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000738285237 1075979330 /nfs/dbraw/zinc/97/93/30/1075979330.db2.gz HTCHNTWJAJFODV-CQSZACIVSA-N 0 3 422.521 2.042 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)COc1ccc(F)cc1 ZINC000738325456 1075990045 /nfs/dbraw/zinc/99/00/45/1075990045.db2.gz CIEZPNBVQCVWQF-SFHVURJKSA-N 0 3 411.518 2.050 20 0 HEADHN COCCN1CC[C@H](NC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000739034173 1076032049 /nfs/dbraw/zinc/03/20/49/1076032049.db2.gz FQQCMWWXMIERIM-GOEBONIOSA-N 0 3 409.836 2.110 20 0 HEADHN COC(=O)Nc1ccc(CCNC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC000739034704 1076032187 /nfs/dbraw/zinc/03/21/87/1076032187.db2.gz LJFRFOFWCKLTHZ-UHFFFAOYSA-N 0 3 404.511 2.161 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)cc1 ZINC000739068803 1076036305 /nfs/dbraw/zinc/03/63/05/1076036305.db2.gz HGWIQTFVBNVPFF-IBGZPJMESA-N 0 3 424.545 2.441 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000739077681 1076038454 /nfs/dbraw/zinc/03/84/54/1076038454.db2.gz BLINIABAOLPOOJ-QGZVFWFLSA-N 0 3 402.539 2.183 20 0 HEADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739078509 1076038533 /nfs/dbraw/zinc/03/85/33/1076038533.db2.gz CYEYOGITYMKVNO-FGTMMUONSA-N 0 3 402.539 2.087 20 0 HEADHN O=C(Nc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739120201 1076047014 /nfs/dbraw/zinc/04/70/14/1076047014.db2.gz PGNXDAATKRIMTE-UHFFFAOYSA-N 0 3 418.513 2.078 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCO[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000739921083 1076092854 /nfs/dbraw/zinc/09/28/54/1076092854.db2.gz MIZOOYPCQIRQIC-QGZVFWFLSA-N 0 3 400.445 2.030 20 0 HEADHN CS(=O)(=O)[C@@H]1CCC[C@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000740770232 1076236010 /nfs/dbraw/zinc/23/60/10/1076236010.db2.gz IEEGKTPCFKTDNB-RBUKOAKNSA-N 0 3 409.621 2.471 20 0 HEADHN C[C@](O)(CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000740907085 1076287348 /nfs/dbraw/zinc/28/73/48/1076287348.db2.gz JEXCDRJWNDLOHJ-QFIPXVFZSA-N 0 3 416.591 2.463 20 0 HEADHN CCn1c(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)nc2ccccc21 ZINC000741406759 1076512472 /nfs/dbraw/zinc/51/24/72/1076512472.db2.gz YVRKYDAAIKYSCI-QHCPKHFHSA-N 0 3 407.518 2.492 20 0 HEADHN CN(C(=O)c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1)[C@H]1CCCN(C)C1 ZINC000741713356 1076589420 /nfs/dbraw/zinc/58/94/20/1076589420.db2.gz ANBDHOGALZDMGS-SFHVURJKSA-N 0 3 414.531 2.217 20 0 HEADHN CCN1CCN(C(=O)CC2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)CC1 ZINC000741783477 1076625826 /nfs/dbraw/zinc/62/58/26/1076625826.db2.gz AXRXSPSBAFHZQY-NRFANRHFSA-N 0 3 414.550 2.278 20 0 HEADHN Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=S)NC3CCN(C)CC3)CC2)c(C)c1 ZINC000737451141 1076651451 /nfs/dbraw/zinc/65/14/51/1076651451.db2.gz JVJLSZUZPBVIJR-GOSISDBHSA-N 0 3 418.607 2.184 20 0 HEADHN C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742162974 1076772779 /nfs/dbraw/zinc/77/27/79/1076772779.db2.gz LLBZEQACVJRUFW-BEFAXECRSA-N 0 3 424.423 2.256 20 0 HEADHN COc1ccc(C(=O)NCCN2CCC[C@@H]2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000742242403 1076804489 /nfs/dbraw/zinc/80/44/89/1076804489.db2.gz UEDZAPQIDZSYOA-KRWDZBQOSA-N 0 3 423.579 2.474 20 0 HEADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)N1CCC(C)CC1 ZINC000742401869 1076837871 /nfs/dbraw/zinc/83/78/71/1076837871.db2.gz WUDSBHVQCZYTGK-AWEZNQCLSA-N 0 3 401.960 2.441 20 0 HEADHN CN1CCN(CCCNC(=O)NCCNC(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000742750759 1076876846 /nfs/dbraw/zinc/87/68/46/1076876846.db2.gz FTMXEYZYKAQRCM-LJQANCHMSA-N 0 3 419.570 2.189 20 0 HEADHN CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000742880727 1076888501 /nfs/dbraw/zinc/88/85/01/1076888501.db2.gz QAVIRSWCAHBRLN-CYBMUJFWSA-N 0 3 415.506 2.209 20 0 HEADHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000742880727 1076888503 /nfs/dbraw/zinc/88/85/03/1076888503.db2.gz QAVIRSWCAHBRLN-CYBMUJFWSA-N 0 3 415.506 2.209 20 0 HEADHN C[C@@H]1CCN(C(=O)CCc2nc3c(cnn3C)c(=O)[nH]2)CCN1Cc1ccccc1 ZINC000742959119 1076905520 /nfs/dbraw/zinc/90/55/20/1076905520.db2.gz NCHBTBFNGAZNKP-MRXNPFEDSA-N 0 3 408.506 2.125 20 0 HEADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743185903 1077001979 /nfs/dbraw/zinc/00/19/79/1077001979.db2.gz AYIYUFBEIZYUMA-LJQANCHMSA-N 0 3 419.595 2.304 20 0 HEADHN COCCOC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)c1 ZINC000743414269 1077049676 /nfs/dbraw/zinc/04/96/76/1077049676.db2.gz PLQMHRPDLSIWCL-MRXNPFEDSA-N 0 3 420.510 2.057 20 0 HEADHN C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)Oc1ccc(Br)cc1 ZINC000743593460 1077077565 /nfs/dbraw/zinc/07/75/65/1077077565.db2.gz DDHHEBITGPLMTL-UNEWFSDZSA-N 0 3 412.328 2.379 20 0 HEADHN C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)Oc1cccc(Br)c1 ZINC000743594666 1077077738 /nfs/dbraw/zinc/07/77/38/1077077738.db2.gz VVNBQEWBRLXQGK-KMFMINBZSA-N 0 3 412.328 2.379 20 0 HEADHN NC(=O)C1CCN(Cc2cccc(NC(=O)c3cnn(-c4ccc(F)cc4)n3)c2)CC1 ZINC000737507471 1077083685 /nfs/dbraw/zinc/08/36/85/1077083685.db2.gz JNKFNKBYAZPBIA-UHFFFAOYSA-N 0 3 422.464 2.356 20 0 HEADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CCC4(C3)CCOCC4)CC2)c(F)c1 ZINC000743872717 1077156906 /nfs/dbraw/zinc/15/69/06/1077156906.db2.gz ANAMNFFSLCRRQY-UHFFFAOYSA-N 0 3 403.498 2.179 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cccc1N1CCOC1=O ZINC000743885177 1077174860 /nfs/dbraw/zinc/17/48/60/1077174860.db2.gz TXKZMCGMXYOMJY-HUUCEWRRSA-N 0 3 402.495 2.269 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)N1CCC(C)CC1 ZINC000743899368 1077211735 /nfs/dbraw/zinc/21/17/35/1077211735.db2.gz TVSCKXPXYXDWTL-QGZVFWFLSA-N 0 3 404.580 2.415 20 0 HEADHN CCO[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C12CCC2 ZINC000743929994 1077255435 /nfs/dbraw/zinc/25/54/35/1077255435.db2.gz XQFCZOOLPRHUMV-PMACEKPBSA-N 0 3 414.550 2.231 20 0 HEADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[C@H](SC)C3)cc2)CC1 ZINC000743968789 1077273274 /nfs/dbraw/zinc/27/32/74/1077273274.db2.gz SMDLYDODZOYPSY-MOPGFXCFSA-N 0 3 404.580 2.163 20 0 HEADHN CN(C)C(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000743972741 1077275372 /nfs/dbraw/zinc/27/53/72/1077275372.db2.gz VDGRQUVVRIYAFG-GOSISDBHSA-N 0 3 408.502 2.060 20 0 HEADHN O=C(CN1CCC2(CCCC2)C1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000744421805 1077385733 /nfs/dbraw/zinc/38/57/33/1077385733.db2.gz GGYOZUBPPMGPAU-CAOOACKPSA-N 0 3 417.575 2.397 20 0 HEADHN CC[NH+](CC)[C@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[n-]2)C1 ZINC000744423693 1077387037 /nfs/dbraw/zinc/38/70/37/1077387037.db2.gz LOPBEVIRQUEHPQ-AWEZNQCLSA-N 0 3 422.551 2.012 20 0 HEADHN CN1CCC[C@@H](NC(=O)NNC(=O)[C@H]2Cc3ccccc3CN2Cc2ccccc2)C1 ZINC000065381641 1077398559 /nfs/dbraw/zinc/39/85/59/1077398559.db2.gz LGPOSVICZJFGLT-FGZHOGPDSA-N 0 3 421.545 2.038 20 0 HEADHN CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000744799516 1077597423 /nfs/dbraw/zinc/59/74/23/1077597423.db2.gz NCNZHCXUCFHLPW-AWEZNQCLSA-N 0 3 401.960 2.441 20 0 HEADHN Cc1c(C(=O)NCCN2CC[C@H](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744801690 1077598375 /nfs/dbraw/zinc/59/83/75/1077598375.db2.gz OFPBMJOLEHUNJH-HNNXBMFYSA-N 0 3 420.558 2.230 20 0 HEADHN CN(CCN1CCN(Cc2ccccc2)CC1)C(=O)c1nnc2ccccc2c1O ZINC000804345109 1079534948 /nfs/dbraw/zinc/53/49/48/1079534948.db2.gz JMDKFWPHNZNNAH-UHFFFAOYSA-N 0 3 405.502 2.225 20 0 HEADHN C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nc2ccccc2s1 ZINC000767018627 1079591124 /nfs/dbraw/zinc/59/11/24/1079591124.db2.gz NMRVJIGVWKCRSL-ZBFHGGJFSA-N 0 3 401.536 2.305 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000767018838 1079593773 /nfs/dbraw/zinc/59/37/73/1079593773.db2.gz ADLOHTCPOYNABF-LEWJYISDSA-N 0 3 414.550 2.102 20 0 HEADHN O=C(Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1)N1CCSCC1 ZINC000771962145 1079609120 /nfs/dbraw/zinc/60/91/20/1079609120.db2.gz NSIDRCMCASJKBJ-ZDUSSCGKSA-N 0 3 401.410 2.182 20 0 HEADHN C[C@H](CC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001156993782 1079631032 /nfs/dbraw/zinc/63/10/32/1079631032.db2.gz WTMUAWKQALLENU-XWSJACJDSA-N 0 3 409.571 2.327 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@H]3CN4CCN3CC4)C2=O)cc1 ZINC000746521643 1079663581 /nfs/dbraw/zinc/66/35/81/1079663581.db2.gz IZZOCENUZJLVMD-UQRWVXEISA-N 0 3 402.498 2.112 20 0 HEADHN CCCCC[C@@H](C)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767144218 1079679062 /nfs/dbraw/zinc/67/90/62/1079679062.db2.gz OOXICKRKEIHUDP-VGOFRKELSA-N 0 3 400.523 2.268 20 0 HEADHN Cc1c(-c2cc(CONC(=N)[C@H]3CN(Cc4ccccc4)CCO3)on2)cnn1C ZINC000767137471 1079699440 /nfs/dbraw/zinc/69/94/40/1079699440.db2.gz MHQHYCJFVBQKJW-HXUWFJFHSA-N 0 3 410.478 2.283 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000767164078 1079701756 /nfs/dbraw/zinc/70/17/56/1079701756.db2.gz OWHAMLSBSAOVQH-ROUUACIJSA-N 0 3 408.568 2.044 20 0 HEADHN CC1(C)OCC(C)(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CO1 ZINC000767173367 1079708821 /nfs/dbraw/zinc/70/88/21/1079708821.db2.gz IXATVQAMRQYYFE-IBGZPJMESA-N 0 3 416.566 2.231 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N3CCC(C)(C)S(=O)(=O)CC3)cc2)CC1 ZINC000772206325 1079739256 /nfs/dbraw/zinc/73/92/56/1079739256.db2.gz MLQYYGHHLDJJBX-UHFFFAOYSA-N 0 3 408.568 2.260 20 0 HEADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000772216538 1079743597 /nfs/dbraw/zinc/74/35/97/1079743597.db2.gz FRCMCSLYTGAMDQ-ZXMBATIKSA-N 0 3 407.540 2.018 20 0 HEADHN COC(=O)/C=C/c1ccc(OCCN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000767297171 1079798501 /nfs/dbraw/zinc/79/85/01/1079798501.db2.gz SSKODBGPSLBBIU-VEGGFIAOSA-N 0 3 410.536 2.045 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1ccc(F)c(F)c1 ZINC000767361236 1079829258 /nfs/dbraw/zinc/82/92/58/1079829258.db2.gz NZSQBAFBJZYWDD-RXVVDRJESA-N 0 3 401.413 2.195 20 0 HEADHN C[C@H]1C[C@H](NC(=O)NCCCCN2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000772343122 1079832457 /nfs/dbraw/zinc/83/24/57/1079832457.db2.gz GUZCHNSXTAHGPV-ZWKOTPCHSA-N 0 3 411.591 2.101 20 0 HEADHN COC[C@@H]1CCCCN1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170043649 1079890127 /nfs/dbraw/zinc/89/01/27/1079890127.db2.gz OCZCQCJTORELGT-BBWFWOEESA-N 0 3 413.584 2.398 20 0 HEADHN C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000772605380 1080004499 /nfs/dbraw/zinc/00/44/99/1080004499.db2.gz QKGGEIFTPVVHNQ-PKOBYXMFSA-N 0 3 423.602 2.053 20 0 HEADHN O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000772645222 1080009844 /nfs/dbraw/zinc/00/98/44/1080009844.db2.gz OZKPXZPXAMWVFJ-QGZVFWFLSA-N 0 3 414.333 2.184 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCCC3(COC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170046820 1080009920 /nfs/dbraw/zinc/00/99/20/1080009920.db2.gz ZPWQQHONPVORIO-CVEARBPZSA-N 0 3 411.568 2.010 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 ZINC000746485598 1080035964 /nfs/dbraw/zinc/03/59/64/1080035964.db2.gz YVLTYUHXPUIASM-INIZCTEOSA-N 0 3 412.559 2.481 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](Cc2ccc(F)cc2F)C(C)=O)CC1=O ZINC000785647555 1080097294 /nfs/dbraw/zinc/09/72/94/1080097294.db2.gz LEMWSDQKZNQJDP-HQRMLTQVSA-N 0 3 422.472 2.341 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2ccc(SC)cc2)CC1=O ZINC000785652408 1080104073 /nfs/dbraw/zinc/10/40/73/1080104073.db2.gz MMFPGPPFGIKSDU-IAGOWNOFSA-N 0 3 404.532 2.467 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000785719993 1080192791 /nfs/dbraw/zinc/19/27/91/1080192791.db2.gz IFFWEHOXQBTIHR-QGZVFWFLSA-N 0 3 417.506 2.128 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000767886642 1080202152 /nfs/dbraw/zinc/20/21/52/1080202152.db2.gz MCXANYNWLMQEQO-GOSISDBHSA-N 0 3 411.593 2.076 20 0 HEADHN CNC(=O)[C@H](Cc1ccccc1)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785709069 1080216453 /nfs/dbraw/zinc/21/64/53/1080216453.db2.gz HHAPJQBIBIKIKL-QFIPXVFZSA-N 0 3 410.514 2.405 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)NC[C@@H]1COc2ccccc2O1 ZINC000785710528 1080220358 /nfs/dbraw/zinc/22/03/58/1080220358.db2.gz XKQGHOHBEUOXSV-LJQANCHMSA-N 0 3 410.470 2.395 20 0 HEADHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767980073 1080246931 /nfs/dbraw/zinc/24/69/31/1080246931.db2.gz BDCRIAVORUIZBZ-JTQLQIEISA-N 0 3 403.708 2.427 20 0 HEADHN O=C(Nc1ccc2c(c1)OCCO2)N1CCC[C@H]1C(=O)OCCN1CCCCC1 ZINC000785981378 1080341815 /nfs/dbraw/zinc/34/18/15/1080341815.db2.gz CPDGHWOTPBYCJL-KRWDZBQOSA-N 0 3 403.479 2.483 20 0 HEADHN COCCOc1ccc(-n2nc(C)c(C(=O)NCCN3CCCC(C)(C)C3)n2)cc1 ZINC000768106602 1080341876 /nfs/dbraw/zinc/34/18/76/1080341876.db2.gz UUTPFTVTOVXQTL-UHFFFAOYSA-N 0 3 415.538 2.453 20 0 HEADHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000768177612 1080388334 /nfs/dbraw/zinc/38/83/34/1080388334.db2.gz ZYIHZVWRXJDVTG-ZDUSSCGKSA-N 0 3 424.427 2.134 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC001169989308 1080397428 /nfs/dbraw/zinc/39/74/28/1080397428.db2.gz GAHKFHWAZGJIPG-SFHVURJKSA-N 0 3 415.534 2.152 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768253638 1080442401 /nfs/dbraw/zinc/44/24/01/1080442401.db2.gz MLNZMNWXCCAIRN-CTNGQTDRSA-N 0 3 415.534 2.405 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CC[C@](C(=O)OC)(C(F)(F)F)C3)cc2)CC1 ZINC000804367039 1080494783 /nfs/dbraw/zinc/49/47/83/1080494783.db2.gz DWLWSRFNNRVYEN-IBGZPJMESA-N 0 3 413.440 2.396 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CC[C@@](C(=O)OC)(C(F)(F)F)C3)cc2)CC1 ZINC000804367040 1080496093 /nfs/dbraw/zinc/49/60/93/1080496093.db2.gz DWLWSRFNNRVYEN-LJQANCHMSA-N 0 3 413.440 2.396 20 0 HEADHN C[C@@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000746587406 1080617724 /nfs/dbraw/zinc/61/77/24/1080617724.db2.gz XWZGLNKZGMBINF-AEFFLSMTSA-N 0 3 406.486 2.428 20 0 HEADHN C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000746587406 1080617730 /nfs/dbraw/zinc/61/77/30/1080617730.db2.gz XWZGLNKZGMBINF-AEFFLSMTSA-N 0 3 406.486 2.428 20 0 HEADHN CCOC(=O)C1(C(=O)OCC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCC1 ZINC000768575009 1080640439 /nfs/dbraw/zinc/64/04/39/1080640439.db2.gz HBELKKAWKQAWHT-UHFFFAOYSA-N 0 3 417.506 2.044 20 0 HEADHN C[C@H](CN(C)S(C)(=O)=O)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000786599032 1080701684 /nfs/dbraw/zinc/70/16/84/1080701684.db2.gz GUGRITYOBBRABJ-ZYHUDNBSSA-N 0 3 423.318 2.169 20 0 HEADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)CCSC1 ZINC000768730971 1080758331 /nfs/dbraw/zinc/75/83/31/1080758331.db2.gz YXNKGZKGQXQBKR-GOSISDBHSA-N 0 3 407.927 2.018 20 0 HEADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000786799591 1080832729 /nfs/dbraw/zinc/83/27/29/1080832729.db2.gz GMXQSVHURAEWHR-CABCVRRESA-N 0 3 423.562 2.226 20 0 HEADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000786799594 1080832849 /nfs/dbraw/zinc/83/28/49/1080832849.db2.gz GMXQSVHURAEWHR-GJZGRUSLSA-N 0 3 423.562 2.226 20 0 HEADHN C[C@@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000786817133 1080841915 /nfs/dbraw/zinc/84/19/15/1080841915.db2.gz ZYUBOMQUGCMPMG-MRXNPFEDSA-N 0 3 407.470 2.352 20 0 HEADHN Cn1c2nnc(COC(=O)CCN3CCc4ccccc4C3)n2c2ccsc2c1=O ZINC000786824371 1080845770 /nfs/dbraw/zinc/84/57/70/1080845770.db2.gz HDEQHQCQMBLBJZ-UHFFFAOYSA-N 0 3 423.498 2.134 20 0 HEADHN CO[C@@H](CCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(F)(F)F ZINC000786824225 1080846397 /nfs/dbraw/zinc/84/63/97/1080846397.db2.gz TXAXRPSGGMOMCW-JQWIXIFHSA-N 0 3 403.854 2.262 20 0 HEADHN COc1cc(N[C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)cc(OC)c1 ZINC000769098465 1080907602 /nfs/dbraw/zinc/90/76/02/1080907602.db2.gz LUJPPHDFYQWMMO-MMOPVJDHSA-N 0 3 418.538 2.153 20 0 HEADHN CCn1nc(C)c(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)c1C ZINC000769193293 1080968317 /nfs/dbraw/zinc/96/83/17/1080968317.db2.gz VRXVDFBRRIOCKM-QGZVFWFLSA-N 0 3 407.559 2.373 20 0 HEADHN O=C(CSc1nnnn1CC(F)(F)F)OCC1CCN(Cc2ccco2)CC1 ZINC000772693978 1080981296 /nfs/dbraw/zinc/98/12/96/1080981296.db2.gz PMHDATXPGSTEIE-UHFFFAOYSA-N 0 3 419.429 2.376 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)CC1 ZINC001170001028 1080988548 /nfs/dbraw/zinc/98/85/48/1080988548.db2.gz ZZRARBYHHGHLLA-UHFFFAOYSA-N 0 3 416.497 2.412 20 0 HEADHN COC(=O)c1cn([C@H]2CCN(CCOc3ccccc3C(=O)OC(C)(C)C)C2)nn1 ZINC000769223608 1081007491 /nfs/dbraw/zinc/00/74/91/1081007491.db2.gz WNKQPNIWABGOSR-HNNXBMFYSA-N 0 3 416.478 2.346 20 0 HEADHN CC(=O)N1CCc2c1cccc2NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000769261262 1081020491 /nfs/dbraw/zinc/02/04/91/1081020491.db2.gz OFVAWAVZLOTYNP-UHFFFAOYSA-N 0 3 422.529 2.167 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000769337730 1081047719 /nfs/dbraw/zinc/04/77/19/1081047719.db2.gz OEBFQMIMURSQDN-IUODEOHRSA-N 0 3 407.383 2.312 20 0 HEADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372301 1081056003 /nfs/dbraw/zinc/05/60/03/1081056003.db2.gz UWGYFKOULQPXCA-HZPDHXFCSA-N 0 3 411.493 2.482 20 0 HEADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423996 1081068976 /nfs/dbraw/zinc/06/89/76/1081068976.db2.gz IKLMZYIHKQNKEI-HKUYNNGSSA-N 0 3 418.586 2.354 20 0 HEADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC([C@@H](O)c2nccn2C)CC1 ZINC000769436744 1081074072 /nfs/dbraw/zinc/07/40/72/1081074072.db2.gz XKDFEABGTSBVSV-HXUWFJFHSA-N 0 3 403.527 2.131 20 0 HEADHN COCCn1cc([C@H]2[C@H](C[NH2+]Cc3nc(C)ccc3[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000328606424 569418430 /nfs/dbraw/zinc/41/84/30/569418430.db2.gz RNDCBANLQXXCDN-HRAATJIYSA-N 0 3 415.538 2.416 20 0 HEADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2cccc(OC)c2)nnc1Cl ZINC001164636690 719137738 /nfs/dbraw/zinc/13/77/38/719137738.db2.gz ZUWWABTYEMAAQD-HNNXBMFYSA-N 0 3 412.824 2.302 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc3ccccc3nc1N1CCCC1)CC2 ZINC001164689656 719738134 /nfs/dbraw/zinc/73/81/34/719738134.db2.gz JXGFLCSJBYKQJJ-UHFFFAOYSA-N 0 3 408.550 2.411 20 0 HEADHN O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ncccc1CN1CCCC1)N1CCCC1 ZINC001164710920 720087051 /nfs/dbraw/zinc/08/70/51/720087051.db2.gz KIQOYJAJBSJADY-VWPQPMDRSA-N 0 3 414.550 2.053 20 0 HEADHN CC(C)N1[C@@H]2CCN(c3ncccc3S(C)(=O)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834428 720524708 /nfs/dbraw/zinc/52/47/08/720524708.db2.gz GIUCVTWBMIGNCF-FGTMMUONSA-N 0 3 403.552 2.059 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164743177 720710773 /nfs/dbraw/zinc/71/07/73/720710773.db2.gz WQKMXSZRBNUEMY-VXGBXAGGSA-N 0 3 403.899 2.180 20 0 HEADHN COc1cc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC ZINC001164743691 720722363 /nfs/dbraw/zinc/72/23/63/720722363.db2.gz XTKSHZZTJFHQKO-SJORKVTESA-N 0 3 407.474 2.384 20 0 HEADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc1-2 ZINC001164738324 720741553 /nfs/dbraw/zinc/74/15/53/720741553.db2.gz FTYRKVMTEJUGIJ-RBUKOAKNSA-N 0 3 400.486 2.374 20 0 HEADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc1-2 ZINC001164738327 720742026 /nfs/dbraw/zinc/74/20/26/720742026.db2.gz FTYRKVMTEJUGIJ-RTBURBONSA-N 0 3 400.486 2.374 20 0 HEADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1)C1CC1 ZINC001164737931 720752272 /nfs/dbraw/zinc/75/22/72/720752272.db2.gz DMUSPLCQAFSWKH-ZVDOUQERSA-N 0 3 423.517 2.270 20 0 HEADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1 ZINC001164740948 720757679 /nfs/dbraw/zinc/75/76/79/720757679.db2.gz LLCYHHXWMFFIIQ-MJGOQNOKSA-N 0 3 404.474 2.284 20 0 HEADHN c1cc(-c2nc3c(c(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)n2)CCC3)ccn1 ZINC001164743528 720788511 /nfs/dbraw/zinc/78/85/11/720788511.db2.gz GMTXKSZVTYSYPD-ROUUACIJSA-N 0 3 415.501 2.159 20 0 HEADHN c1cc(-c2nc(C3CC3)no2)cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164742737 720798410 /nfs/dbraw/zinc/79/84/10/720798410.db2.gz DEOCLMJUJIMRQV-SJORKVTESA-N 0 3 405.462 2.141 20 0 HEADHN CCOC(=O)c1cc(F)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870562 721058570 /nfs/dbraw/zinc/05/85/70/721058570.db2.gz WIIAWICTISPORC-QZTJIDSGSA-N 0 3 400.454 2.272 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164762301 721066823 /nfs/dbraw/zinc/06/68/23/721066823.db2.gz DVDRCBCYJCSTAV-XQBPLPMBSA-N 0 3 409.534 2.182 20 0 HEADHN CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2[nH]1 ZINC001164765575 721112039 /nfs/dbraw/zinc/11/20/39/721112039.db2.gz JIRSINMEOIGONA-ZWKOTPCHSA-N 0 3 408.506 2.431 20 0 HEADHN COc1cc2ncc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nc2cc1OC ZINC001164771767 721120406 /nfs/dbraw/zinc/12/04/06/721120406.db2.gz SZULIGDKZCXKSW-IAGOWNOFSA-N 0 3 408.506 2.339 20 0 HEADHN COC(=O)CSc1cccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880974 721125888 /nfs/dbraw/zinc/12/58/88/721125888.db2.gz YLGBUGACVBQTEI-ZWKOTPCHSA-N 0 3 414.531 2.221 20 0 HEADHN CON(C)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164767300 721142300 /nfs/dbraw/zinc/14/23/00/721142300.db2.gz MLEOUKAJGLDGPP-DOTOQJQBSA-N 0 3 418.929 2.060 20 0 HEADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869752 721172796 /nfs/dbraw/zinc/17/27/96/721172796.db2.gz AULBNJAHMLMLTB-ROUUACIJSA-N 0 3 411.506 2.090 20 0 HEADHN CCOC(=O)c1cnc2cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]cc1-2 ZINC001164766081 721186775 /nfs/dbraw/zinc/18/67/75/721186775.db2.gz IWMZGNGEPAWOEQ-IRXDYDNUSA-N 0 3 408.506 2.431 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@H]2OCC[C@H]21 ZINC001164878553 721305704 /nfs/dbraw/zinc/30/57/04/721305704.db2.gz LHJWSOFALQXXFT-BHDDXSALSA-N 0 3 421.545 2.230 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164890887 721379236 /nfs/dbraw/zinc/37/92/36/721379236.db2.gz OWNYUTGUZVWQLE-DENIHFKCSA-N 0 3 402.587 2.371 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1N1CCCC1 ZINC001164887219 721379305 /nfs/dbraw/zinc/37/93/05/721379305.db2.gz HIBXTJDVMFVVCB-OFNKIYASSA-N 0 3 414.598 2.151 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@H]2CCCO[C@@H]21)c1cccnc1 ZINC001164786945 721381349 /nfs/dbraw/zinc/38/13/49/721381349.db2.gz VKWIHGCALORXCF-XPNTWCBSSA-N 0 3 421.545 2.486 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(Cl)nc5nc[nH]c54)C3)O2)CC1 ZINC001164887145 721407233 /nfs/dbraw/zinc/40/72/33/721407233.db2.gz LDMHXCGPYIAFCF-YWZLYKJASA-N 0 3 404.946 2.377 20 0 HEADHN CC(=O)Nc1c(C)ccnc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164889552 721429026 /nfs/dbraw/zinc/42/90/26/721429026.db2.gz BNXRVMKBLPULDP-DENIHFKCSA-N 0 3 401.555 2.114 20 0 HEADHN COc1cc2ccnc(N3CCn4cc(CN5CCN(C)CC5)nc4C3)c2cc1OC ZINC001164798335 721514632 /nfs/dbraw/zinc/51/46/32/721514632.db2.gz SAEPNWCUGDPVNJ-UHFFFAOYSA-N 0 3 422.533 2.216 20 0 HEADHN COC(=O)CSc1cncc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909673 721558655 /nfs/dbraw/zinc/55/86/55/721558655.db2.gz UNUYALASVZOFKR-RDJZCZTQSA-N 0 3 418.494 2.223 20 0 HEADHN O=C1CSc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2N1 ZINC001164911425 721565993 /nfs/dbraw/zinc/56/59/93/721565993.db2.gz ZEDRCEZQBHSBKS-HIFRSBDPSA-N 0 3 401.467 2.002 20 0 HEADHN c1cncc(CN2CCOC[C@@]3(CN(c4ncccc4CN4CCCC4)CCO3)C2)c1 ZINC001164915658 721800354 /nfs/dbraw/zinc/80/03/54/721800354.db2.gz XGPGGLNFBVTIKO-DEOSSOPVSA-N 0 3 423.561 2.180 20 0 HEADHN Cc1nc(CN2CCOC[C@@]3(CN(c4cc(CN(C)C)ccn4)CCO3)C2)cs1 ZINC001164920160 721833249 /nfs/dbraw/zinc/83/32/49/721833249.db2.gz BOVAVYMTJROANP-NRFANRHFSA-N 0 3 417.579 2.016 20 0 HEADHN O=C([C@H]1COc2ccccc2O1)N1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001165050226 721981906 /nfs/dbraw/zinc/98/19/06/721981906.db2.gz REOFXILFSRYXQB-OAQYLSRUSA-N 0 3 408.502 2.166 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164948725 722001294 /nfs/dbraw/zinc/00/12/94/722001294.db2.gz AWDZWVFZVLZFLR-KPFFTGBYSA-N 0 3 413.547 2.300 20 0 HEADHN COc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1NC(C)C ZINC001164980677 722099160 /nfs/dbraw/zinc/09/91/60/722099160.db2.gz JXHDWFHVSZHZLP-QUCCMNQESA-N 0 3 412.538 2.428 20 0 HEADHN COCc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164983143 722115164 /nfs/dbraw/zinc/11/51/64/722115164.db2.gz YJYHUDITZCBPHK-IEBWSBKVSA-N 0 3 415.563 2.467 20 0 HEADHN COCCn1ccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978441 722123111 /nfs/dbraw/zinc/12/31/11/722123111.db2.gz OQBUVZGLQCETND-TZIWHRDSSA-N 0 3 422.533 2.200 20 0 HEADHN COC(=O)c1cc2c[nH]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc-2n1 ZINC001164980276 722135239 /nfs/dbraw/zinc/13/52/39/722135239.db2.gz MKPOZQCXGRTHOB-DYESRHJHSA-N 0 3 421.501 2.472 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)CC[C@H]2CCCCN2C)c(=O)[nH]c1=O ZINC000769659894 1078497945 /nfs/dbraw/zinc/49/79/45/1078497945.db2.gz JHPWYSBPWVEPKM-MRXNPFEDSA-N 0 3 414.572 2.024 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000769755979 1078541755 /nfs/dbraw/zinc/54/17/55/1078541755.db2.gz OQRVBGAPCCVJJU-PMACEKPBSA-N 0 3 421.563 2.191 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000745781405 1078640205 /nfs/dbraw/zinc/64/02/05/1078640205.db2.gz NXPRLNHRYGIFST-ROUUACIJSA-N 0 3 417.554 2.277 20 0 HEADHN C[C@H](CNC(=O)NCCc1ccc(Br)cc1F)CN1CCN(C)CC1 ZINC000745810719 1078656808 /nfs/dbraw/zinc/65/68/08/1078656808.db2.gz NDPAMSXTCLUGAK-CQSZACIVSA-N 0 3 415.351 2.313 20 0 HEADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN(CC3CCC3)C(C)C)C2=O)c1 ZINC000769928659 1078661763 /nfs/dbraw/zinc/66/17/63/1078661763.db2.gz UIMLWYATEQJWFI-OAQYLSRUSA-N 0 3 402.495 2.004 20 0 HEADHN CN(C)C[C@@H]1CN(C(=O)c2nccn3c(Br)cnc23)c2ccccc2O1 ZINC000769993254 1078677537 /nfs/dbraw/zinc/67/75/37/1078677537.db2.gz MTPIJHMWYOIMOK-GFCCVEGCSA-N 0 3 416.279 2.461 20 0 HEADHN C[C@@H](CNC(=O)NC[C@H](O)c1c(Cl)cccc1Cl)CN1CCN(C)CC1 ZINC000745862962 1078678756 /nfs/dbraw/zinc/67/87/56/1078678756.db2.gz QRQUNRKUTCLCES-BBRMVZONSA-N 0 3 403.354 2.210 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(CC4CCOCC4)CC3)C2=O)cc1 ZINC000745879496 1078682790 /nfs/dbraw/zinc/68/27/90/1078682790.db2.gz SNEJPJPAZIAGJK-OAQYLSRUSA-N 0 3 414.550 2.244 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](c4nccn4C)C3)cc2)CC1 ZINC000770037578 1078699382 /nfs/dbraw/zinc/69/93/82/1078699382.db2.gz ABLVWBYUNQROQJ-IBGZPJMESA-N 0 3 410.566 2.380 20 0 HEADHN CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@H](c3ccccc3)N(C)C)cc2S1(=O)=O ZINC000770053158 1078706777 /nfs/dbraw/zinc/70/67/77/1078706777.db2.gz YTYFLWCJXGVVPE-IFXJQAMLSA-N 0 3 415.515 2.272 20 0 HEADHN O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccccc1CN1CCC(O)CC1 ZINC000746010797 1078730340 /nfs/dbraw/zinc/73/03/40/1078730340.db2.gz CNZHOSHOMVNUKR-UHFFFAOYSA-N 0 3 422.481 2.445 20 0 HEADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)C1 ZINC000746046686 1078756182 /nfs/dbraw/zinc/75/61/82/1078756182.db2.gz QAZCPHPUCWWDKM-CYBMUJFWSA-N 0 3 403.870 2.319 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)CCNC(=O)OCC(F)(F)F)c2)CC1 ZINC000770146830 1078747064 /nfs/dbraw/zinc/74/70/64/1078747064.db2.gz IKSUINPMOVITIH-UHFFFAOYSA-N 0 3 402.417 2.446 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000770171803 1078766669 /nfs/dbraw/zinc/76/66/69/1078766669.db2.gz DVZXHTALXRHYFT-KRWDZBQOSA-N 0 3 404.555 2.467 20 0 HEADHN COc1cccc(CN2CCC(NC(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)c1 ZINC000746139936 1078803941 /nfs/dbraw/zinc/80/39/41/1078803941.db2.gz RSDYZWGNZOMKQX-UHFFFAOYSA-N 0 3 417.531 2.045 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000770298922 1078821533 /nfs/dbraw/zinc/82/15/33/1078821533.db2.gz MOSIPBWZKGIKQT-MSOLQXFVSA-N 0 3 408.587 2.166 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000770361947 1078830547 /nfs/dbraw/zinc/83/05/47/1078830547.db2.gz LWOJVWZQHRSFHS-ROUUACIJSA-N 0 3 401.555 2.200 20 0 HEADHN CCOC(=O)N1CC[C@H](NC(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000770342225 1078837117 /nfs/dbraw/zinc/83/71/17/1078837117.db2.gz FRGRBHKHZPTJAI-IBGZPJMESA-N 0 3 417.554 2.119 20 0 HEADHN Cc1ccc(N2CC[C@@H](NC(=O)CCN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000746298537 1078846372 /nfs/dbraw/zinc/84/63/72/1078846372.db2.gz FTTYRQOISLLRAK-JOCHJYFZSA-N 0 3 406.530 2.429 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000766341422 1078857709 /nfs/dbraw/zinc/85/77/09/1078857709.db2.gz AEILFQVZMIOCAY-HNNXBMFYSA-N 0 3 404.561 2.153 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000746339182 1078864571 /nfs/dbraw/zinc/86/45/71/1078864571.db2.gz KCUJGQUTGXVTNW-KRWDZBQOSA-N 0 3 414.472 2.356 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000770590463 1078899551 /nfs/dbraw/zinc/89/95/51/1078899551.db2.gz NHJQGHVHXIEJPH-XJKSGUPXSA-N 0 3 403.354 2.352 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000770592146 1078899980 /nfs/dbraw/zinc/89/99/80/1078899980.db2.gz BGSZWXYWIPRDDW-SUMWQHHRSA-N 0 3 403.354 2.352 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000770593281 1078900085 /nfs/dbraw/zinc/90/00/85/1078900085.db2.gz ZHZCAKBUMIHRRL-KZNAEPCWSA-N 0 3 411.591 2.100 20 0 HEADHN COC(=O)C1(C)CCC(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)CC1 ZINC001168782121 1078905463 /nfs/dbraw/zinc/90/54/63/1078905463.db2.gz KZFMVQKOQOCIGP-IQWMQGJTSA-N 0 3 417.550 2.107 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000770603208 1078912120 /nfs/dbraw/zinc/91/21/20/1078912120.db2.gz HECZLMJTMGNMMU-AVRDEDQJSA-N 0 3 423.602 2.055 20 0 HEADHN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000770607239 1078914244 /nfs/dbraw/zinc/91/42/44/1078914244.db2.gz PDRKDVBRNFJNNO-VQTJNVASSA-N 0 3 409.619 2.131 20 0 HEADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC000770658631 1078922653 /nfs/dbraw/zinc/92/26/53/1078922653.db2.gz NDCGAPPJXULVDJ-KRWDZBQOSA-N 0 3 422.547 2.440 20 0 HEADHN CCN(CC)[C@@H](CNC(=O)C(=O)Nc1cnn(C)c1C1CC1)c1cccc(OC)c1 ZINC000770725066 1078951169 /nfs/dbraw/zinc/95/11/69/1078951169.db2.gz JSZHMGIUFAENFZ-IBGZPJMESA-N 0 3 413.522 2.444 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)COc3ccccc3)c2)CC1 ZINC000770724631 1078951956 /nfs/dbraw/zinc/95/19/56/1078951956.db2.gz ICIXJYVKRHMCGW-SFHVURJKSA-N 0 3 410.518 2.351 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3COc4ccccc4C3)c2)CC1 ZINC000770712887 1078980360 /nfs/dbraw/zinc/98/03/60/1078980360.db2.gz QUSHWDRKBXVOTD-SFHVURJKSA-N 0 3 422.529 2.135 20 0 HEADHN COc1ccc([C@@H](NCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C(C)C)cc1 ZINC001168785827 1078990232 /nfs/dbraw/zinc/99/02/32/1078990232.db2.gz TZWRPHAENZBNJO-SFHVURJKSA-N 0 3 403.445 2.461 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000770799608 1079022353 /nfs/dbraw/zinc/02/23/53/1079022353.db2.gz IDFCKDBQYSEFBK-LJQANCHMSA-N 0 3 415.582 2.004 20 0 HEADHN CN(C)c1ncc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 ZINC000766490005 1079029220 /nfs/dbraw/zinc/02/92/20/1079029220.db2.gz YAPPILIJNWFQRD-UHFFFAOYSA-N 0 3 404.414 2.005 20 0 HEADHN COc1ccc(C(=O)N2CCN(C)C(C)(C)CC2)cc1S(=O)(=O)NC(C)(C)C ZINC001168799398 1079039796 /nfs/dbraw/zinc/03/97/96/1079039796.db2.gz SYFGMUBXPMATKT-UHFFFAOYSA-N 0 3 411.568 2.328 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000746482660 1079041272 /nfs/dbraw/zinc/04/12/72/1079041272.db2.gz JPGIJJPANXKWMI-LJQANCHMSA-N 0 3 401.532 2.235 20 0 HEADHN C[C@@H]1C[C@@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168862073 1079056852 /nfs/dbraw/zinc/05/68/52/1079056852.db2.gz COCMOMUHMIBXKE-UKRRQHHQSA-N 0 3 403.527 2.239 20 0 HEADHN COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)CN(C)[C@H](C)c1ccncc1 ZINC001168951250 1079085238 /nfs/dbraw/zinc/08/52/38/1079085238.db2.gz YRNZNDBDNIUVRT-APWZRJJASA-N 0 3 410.474 2.487 20 0 HEADHN CCOC(=O)[C@H](Nc1ccc2nc[nH]c2c1C)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169045696 1079114091 /nfs/dbraw/zinc/11/40/91/1079114091.db2.gz ZIHCGYKEFMORMC-MOPGFXCFSA-N 0 3 417.487 2.352 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@@H](OC)C3(CC)CC)cc2)CC1 ZINC000766605595 1079156765 /nfs/dbraw/zinc/15/67/65/1079156765.db2.gz UMFIMEAOSSQEMJ-WOJBJXKFSA-N 0 3 416.566 2.477 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1c(F)cccc1F ZINC001169161534 1079170391 /nfs/dbraw/zinc/17/03/91/1079170391.db2.gz PCGNMUSCUZVIBQ-ZDUSSCGKSA-N 0 3 405.449 2.061 20 0 HEADHN CN(C[C@@](C)(O)CN1CC[C@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165877 1079174147 /nfs/dbraw/zinc/17/41/47/1079174147.db2.gz ZTRKCGFKLLOGKU-KSFYIVLOSA-N 0 3 418.538 2.137 20 0 HEADHN Cc1cc([C@H]2CCCN2[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)no1 ZINC001169191366 1079179672 /nfs/dbraw/zinc/17/96/72/1079179672.db2.gz MPBNJKISQXDRJC-WMLDXEAASA-N 0 3 414.510 2.126 20 0 HEADHN O=C(Nc1c[nH]nc1[C@@H]1CCCN(C[C@@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187628 1079177212 /nfs/dbraw/zinc/17/72/12/1079177212.db2.gz JIDYBZHDVAHLFO-MSOLQXFVSA-N 0 3 420.554 2.010 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1c(F)cc(F)cc1F ZINC001169173062 1079188172 /nfs/dbraw/zinc/18/81/72/1079188172.db2.gz YIHKIBLEHDMZDK-LBPRGKRZSA-N 0 3 423.439 2.200 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1cccc(F)c1F ZINC001169213722 1079197368 /nfs/dbraw/zinc/19/73/68/1079197368.db2.gz SFQLOAUCRIWEBN-CQSZACIVSA-N 0 3 419.476 2.403 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1CC)C(C)C ZINC000771218520 1079232798 /nfs/dbraw/zinc/23/27/98/1079232798.db2.gz ZTUHRUJBFDRLRK-KRWDZBQOSA-N 0 3 402.539 2.486 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCc4cccnc4)CO3)C2)CO1 ZINC001169383743 1079254212 /nfs/dbraw/zinc/25/42/12/1079254212.db2.gz BNNFOQMYUFSMNN-FCIYXJNOSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376920 1079246720 /nfs/dbraw/zinc/24/67/20/1079246720.db2.gz ZISNRHRGRHIQJM-SJORKVTESA-N 0 3 412.527 2.199 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CO1 ZINC001169384185 1079254619 /nfs/dbraw/zinc/25/46/19/1079254619.db2.gz DVHHUNYOMDWCOT-BPBCIEFSSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CO1 ZINC001169384189 1079255679 /nfs/dbraw/zinc/25/56/79/1079255679.db2.gz DVHHUNYOMDWCOT-ITTUMRLJSA-N 0 3 404.507 2.332 20 0 HEADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(CN(C)C)c2)C1=O ZINC000771273584 1079261274 /nfs/dbraw/zinc/26/12/74/1079261274.db2.gz GAANSHSISJESIK-QHCPKHFHSA-N 0 3 424.501 2.471 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N(CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169415941 1079276051 /nfs/dbraw/zinc/27/60/51/1079276051.db2.gz FVROOROMYRPTOB-ZACQAIPSSA-N 0 3 400.516 2.055 20 0 HEADHN NC(=O)c1cc(Oc2cccc(OC(=O)C3CC[C@H](C(F)(F)F)NC3=O)c2)ccn1 ZINC000766723920 1079313232 /nfs/dbraw/zinc/31/32/32/1079313232.db2.gz HFLHCOJKQDPHAZ-DZGCQCFKSA-N 0 3 423.347 2.335 20 0 HEADHN CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CC[C@@]3(C2)OCc2ccccc23)CCC1 ZINC001169603689 1079341629 /nfs/dbraw/zinc/34/16/29/1079341629.db2.gz DCPDBEVFMQADIB-ICSRJNTNSA-N 0 3 408.564 2.119 20 0 HEADHN CC(=O)N1CCC[C@H](N2CCN(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169617565 1079354047 /nfs/dbraw/zinc/35/40/47/1079354047.db2.gz SDJGIVGSETWQQR-IBGZPJMESA-N 0 3 408.587 2.405 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CCO[C@H]3[C@H]2CC[C@H]3COc2ncccn2)CC1 ZINC001169692171 1079373442 /nfs/dbraw/zinc/37/34/42/1079373442.db2.gz HGGLSTXXLPYWKE-INDMIFKZSA-N 0 3 404.511 2.346 20 0 HEADHN CCOC(=O)N1CCC[C@@H](n2nc(C(=O)NC3CCCC3)c3c2CCNC3)CC1 ZINC001169692259 1079373453 /nfs/dbraw/zinc/37/34/53/1079373453.db2.gz JKLDSYPSYUEZLW-MRXNPFEDSA-N 0 3 403.527 2.385 20 0 HEADHN CCOC(=O)N1CCC[C@H](n2nc(C(=O)N3CCC[C@@H]3C)c3c2CCNC3)CC1 ZINC001169694432 1079374832 /nfs/dbraw/zinc/37/48/32/1079374832.db2.gz QQKJDISZGKMBHF-HOTGVXAUSA-N 0 3 403.527 2.337 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1sccc1NC(=O)c1ccncc1 ZINC000771580992 1079379588 /nfs/dbraw/zinc/37/95/88/1079379588.db2.gz ACQCLQPSAKBJST-INIZCTEOSA-N 0 3 400.504 2.379 20 0 HEADHN COc1ccccc1[C@@H](Nc1nc(NCCO)nc(NC(C)C)n1)c1nccn1C ZINC000804336919 1079385156 /nfs/dbraw/zinc/38/51/56/1079385156.db2.gz RSKUAWFBABBEOT-MRXNPFEDSA-N 0 3 412.498 2.040 20 0 HEADHN C[C@@H]1C[C@H](N(C)S(=O)(=O)N2CCC3(CC2)OCCO3)CCN1Cc1ccccc1 ZINC000766815378 1079404622 /nfs/dbraw/zinc/40/46/22/1079404622.db2.gz HHIUIWPRKPCRFW-UYAOXDASSA-N 0 3 423.579 2.055 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@H](N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)C1 ZINC001169771230 1079404736 /nfs/dbraw/zinc/40/47/36/1079404736.db2.gz GSGNFQHQJVFNHQ-BHIFYINESA-N 0 3 421.545 2.309 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771659468 1079429229 /nfs/dbraw/zinc/42/92/29/1079429229.db2.gz GDQBAYXTFNXHSB-JOCHJYFZSA-N 0 3 424.586 2.179 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 ZINC000771662346 1079431504 /nfs/dbraw/zinc/43/15/04/1079431504.db2.gz ZROBXSCQLDOULY-GOSISDBHSA-N 0 3 420.985 2.221 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)CC1 ZINC000771662903 1079432078 /nfs/dbraw/zinc/43/20/78/1079432078.db2.gz DTBQDQUWRDANLG-FQEVSTJZSA-N 0 3 412.578 2.061 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)c2)CC1 ZINC000771637654 1079445797 /nfs/dbraw/zinc/44/57/97/1079445797.db2.gz QULCSNMZDFWGEE-QGZVFWFLSA-N 0 3 420.517 2.105 20 0 HEADHN O=C(NCCS(=O)(=O)N1CCC[C@@H]1CN1CCCCC1)OCc1ccccc1 ZINC000771751504 1079481000 /nfs/dbraw/zinc/48/10/00/1079481000.db2.gz LUEYFANGDYTYFP-LJQANCHMSA-N 0 3 409.552 2.193 20 0 HEADHN CNC(=O)c1ccc(CN(CC(=O)NC[C@H](c2ccccc2)N(C)C)C2CC2)cc1 ZINC000771753934 1079484375 /nfs/dbraw/zinc/48/43/75/1079484375.db2.gz OEAQJLDNOPVRTJ-JOCHJYFZSA-N 0 3 408.546 2.430 20 0 HEADHN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000737830775 1075934988 /nfs/dbraw/zinc/93/49/88/1075934988.db2.gz LGMJNNLTLRKKTB-MRXNPFEDSA-N 0 3 410.559 2.011 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2nc(-c3ccccc3F)oc2=S)CC1 ZINC000738159790 1075970778 /nfs/dbraw/zinc/97/07/78/1075970778.db2.gz DBSMIJVFOCCAFE-UHFFFAOYSA-N 0 3 405.499 2.209 20 0 HEADHN Cc1ccc(-n2cnn(CN3CCN(C(=O)CN4CCCC4)CC3)c2=S)c(C)c1 ZINC000738161054 1075971312 /nfs/dbraw/zinc/97/13/12/1075971312.db2.gz MIQXGIUJBBFDBQ-UHFFFAOYSA-N 0 3 414.579 2.218 20 0 HEADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCCN(C4CCCC4)CC3)cc2)CCO1 ZINC000739121746 1076047392 /nfs/dbraw/zinc/04/73/92/1076047392.db2.gz XOVIWOGMPPKHGS-GOSISDBHSA-N 0 3 414.550 2.327 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@@H](O)c2ccsc2)[C@@H](c2ccccc2)C1 ZINC000740033661 1076097380 /nfs/dbraw/zinc/09/73/80/1076097380.db2.gz MQKNVHZDCXSDIW-WOJBJXKFSA-N 0 3 402.564 2.460 20 0 HEADHN Cc1c(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000740458922 1076181572 /nfs/dbraw/zinc/18/15/72/1076181572.db2.gz RKCVIEFLOOEUOT-HZPDHXFCSA-N 0 3 424.567 2.057 20 0 HEADHN CCN(CN1CC(=O)N(CC)C1=O)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000740855799 1076269195 /nfs/dbraw/zinc/26/91/95/1076269195.db2.gz JBUZBOZCIHFVEC-UHFFFAOYSA-N 0 3 402.543 2.441 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000740880857 1076281741 /nfs/dbraw/zinc/28/17/41/1076281741.db2.gz DSBLIWFSVRIPOC-KVSKMBFKSA-N 0 3 422.522 2.448 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](CCO)c1ccccc1 ZINC000740899167 1076296409 /nfs/dbraw/zinc/29/64/09/1076296409.db2.gz VEWJYDJGMJERRD-IAGOWNOFSA-N 0 3 411.955 2.460 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H](C(C)C)N3CCCC3)cc2)CC1 ZINC000741012018 1076328393 /nfs/dbraw/zinc/32/83/93/1076328393.db2.gz SQOIBXKUXISHEA-QFIPXVFZSA-N 0 3 416.566 2.431 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](O)c1ccccc1Cl ZINC000741104229 1076377242 /nfs/dbraw/zinc/37/72/42/1076377242.db2.gz GNTUTRJBLYWUNQ-QGZVFWFLSA-N 0 3 405.882 2.199 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000741328125 1076478120 /nfs/dbraw/zinc/47/81/20/1076478120.db2.gz AXNKECWKXIBKMH-HXUWFJFHSA-N 0 3 424.497 2.398 20 0 HEADHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 ZINC000741401237 1076511127 /nfs/dbraw/zinc/51/11/27/1076511127.db2.gz ZBVJEJZQTJYHPV-UHFFFAOYSA-N 0 3 416.913 2.298 20 0 HEADHN Cc1cccc(C2(O)CCN(CCOc3ccc(S(N)(=O)=O)cc3)CC2)c1C ZINC000741801535 1076641497 /nfs/dbraw/zinc/64/14/97/1076641497.db2.gz YCPPJORHGRLQKZ-UHFFFAOYSA-N 0 3 404.532 2.313 20 0 HEADHN CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000742134918 1076750752 /nfs/dbraw/zinc/75/07/52/1076750752.db2.gz AVNZVPQQSZGAQE-CQSZACIVSA-N 0 3 415.506 2.352 20 0 HEADHN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000742134918 1076750759 /nfs/dbraw/zinc/75/07/59/1076750759.db2.gz AVNZVPQQSZGAQE-CQSZACIVSA-N 0 3 415.506 2.352 20 0 HEADHN COc1ccc(C(=O)NCCN2CCC[C@H]2C)cc1S(=O)(=O)N1CCCCCC1 ZINC000742242404 1076804499 /nfs/dbraw/zinc/80/44/99/1076804499.db2.gz UEDZAPQIDZSYOA-QGZVFWFLSA-N 0 3 423.579 2.474 20 0 HEADHN COCc1nc(CON=C(N)CCN2CCN(Cc3ccccc3)CC2)cs1 ZINC000742358374 1076830396 /nfs/dbraw/zinc/83/03/96/1076830396.db2.gz CKIODLBRNHIFSI-UHFFFAOYSA-N 0 3 403.552 2.496 20 0 HEADHN CON(C)S(=O)(=O)c1cc(C(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1Cl ZINC000742401821 1076837848 /nfs/dbraw/zinc/83/78/48/1076837848.db2.gz VFNPKCMAFHPGMG-CQSZACIVSA-N 0 3 417.959 2.372 20 0 HEADHN CN1CCN(c2ccncc2NC(=O)CN(CC2CC2)C(=O)OC(C)(C)C)CC1 ZINC000742572460 1076852514 /nfs/dbraw/zinc/85/25/14/1076852514.db2.gz DFMUQUCIHBDDRI-UHFFFAOYSA-N 0 3 403.527 2.419 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000742669843 1076862988 /nfs/dbraw/zinc/86/29/88/1076862988.db2.gz DFVZARQEEMEZNH-IBGZPJMESA-N 0 3 400.567 2.272 20 0 HEADHN C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(CC3CCCCC3)CC2)C1=O ZINC000742910385 1076890965 /nfs/dbraw/zinc/89/09/65/1076890965.db2.gz GZSZVZWAZMEOEC-QHCPKHFHSA-N 0 3 412.534 2.178 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000743174860 1076989377 /nfs/dbraw/zinc/98/93/77/1076989377.db2.gz VMRKQDMJDDMWIK-OALUTQOASA-N 0 3 403.571 2.307 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)N2CCCC2)cc1 ZINC000743205523 1076996494 /nfs/dbraw/zinc/99/64/94/1076996494.db2.gz SCUAFRHMOFGSMP-GOSISDBHSA-N 0 3 419.551 2.195 20 0 HEADHN C[C@H]1CCN(C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CCN1Cc1ccccc1 ZINC000743209354 1077001109 /nfs/dbraw/zinc/00/11/09/1077001109.db2.gz VFRPBLQKCNTAPJ-KRWDZBQOSA-N 0 3 419.551 2.056 20 0 HEADHN CCCCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2CN(C)C)CC1 ZINC000743287123 1077016442 /nfs/dbraw/zinc/01/64/42/1077016442.db2.gz BRXFVRVNBLABAG-UHFFFAOYSA-N 0 3 400.523 2.169 20 0 HEADHN CC(C)C(=O)c1ccc2c(c1)oc(=O)n2CN1CCC(CN2CCOCC2)CC1 ZINC000743350744 1077036613 /nfs/dbraw/zinc/03/66/13/1077036613.db2.gz BFSGTXCZIPUQDL-UHFFFAOYSA-N 0 3 401.507 2.435 20 0 HEADHN Cc1cc([C@](C)(O)CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c(C)o1 ZINC000743549900 1077067521 /nfs/dbraw/zinc/06/75/21/1077067521.db2.gz DOABRYGQLXMWDU-HSZRJFAPSA-N 0 3 414.550 2.351 20 0 HEADHN O=C(NCCOC1CCC1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000743695266 1077091910 /nfs/dbraw/zinc/09/19/10/1077091910.db2.gz XZMIJOYYWUQDNA-IBGZPJMESA-N 0 3 401.555 2.194 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)c2c(c1)OCCO2 ZINC000743766263 1077119253 /nfs/dbraw/zinc/11/92/53/1077119253.db2.gz VYYNHHVWJPSIRC-NRFANRHFSA-N 0 3 402.878 2.478 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000743885751 1077177631 /nfs/dbraw/zinc/17/76/31/1077177631.db2.gz ZVSMXGDLNSPHJL-HOTGVXAUSA-N 0 3 402.495 2.269 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000743915633 1077193688 /nfs/dbraw/zinc/19/36/88/1077193688.db2.gz ZWIZGJXGGGHZRZ-WBVHZDCISA-N 0 3 405.470 2.065 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)N1CCCCC1 ZINC000743896051 1077208308 /nfs/dbraw/zinc/20/83/08/1077208308.db2.gz ZJRZQOMTGUYBHU-MRXNPFEDSA-N 0 3 403.523 2.500 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)c(C)c2)CC1 ZINC000743978105 1077292177 /nfs/dbraw/zinc/29/21/77/1077292177.db2.gz WKFMWLMMHASCEE-JOCHJYFZSA-N 0 3 424.545 2.315 20 0 HEADHN CCCN(CCC)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1 ZINC000743981809 1077294056 /nfs/dbraw/zinc/29/40/56/1077294056.db2.gz SAHWOJFMDQHBCK-QGZVFWFLSA-N 0 3 402.539 2.488 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000743981476 1077294412 /nfs/dbraw/zinc/29/44/12/1077294412.db2.gz RCPJAVUHRDMLKU-AWEZNQCLSA-N 0 3 410.971 2.432 20 0 HEADHN CC(C)(C)CCN1CCN(CN2CC3(CN(C(=O)OC(C)(C)C)C3)CC2=O)CC1 ZINC000744433306 1077392768 /nfs/dbraw/zinc/39/27/68/1077392768.db2.gz XQBYQWZAGZIQDX-UHFFFAOYSA-N 0 3 408.587 2.467 20 0 HEADHN O=C(CN[C@H](CCO)C1CC1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000771794702 1079511492 /nfs/dbraw/zinc/51/14/92/1079511492.db2.gz HXHXUGQDOBXBCZ-LJQANCHMSA-N 0 3 406.479 2.348 20 0 HEADHN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN[C@@H](CCO)C2CC2)cc1 ZINC000771798470 1079512775 /nfs/dbraw/zinc/51/27/75/1079512775.db2.gz AGPBVBAFCGYLNX-FQEVSTJZSA-N 0 3 423.579 2.329 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@@H]1C[C@H](O)c1ccccc1)c1ccccc1 ZINC000771762544 1079515363 /nfs/dbraw/zinc/51/53/63/1079515363.db2.gz MKVJBVMBFPVEDW-ZRBLBEILSA-N 0 3 411.546 2.230 20 0 HEADHN CC(C)(C)OC(=O)NC[C@](C)(NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000766940732 1079528914 /nfs/dbraw/zinc/52/89/14/1079528914.db2.gz CDHRPKPNIMQXTH-FQEVSTJZSA-N 0 3 403.483 2.490 20 0 HEADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@H]1C ZINC000766991287 1079553396 /nfs/dbraw/zinc/55/33/96/1079553396.db2.gz NRZKPYKVGFKJQB-MJIJOELWSA-N 0 3 405.564 2.109 20 0 HEADHN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NCCCCN1CCN(C)CC1 ZINC000771918801 1079571708 /nfs/dbraw/zinc/57/17/08/1079571708.db2.gz IYFFRYFMZKTEDO-QZTJIDSGSA-N 0 3 411.591 2.053 20 0 HEADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000767081515 1079653000 /nfs/dbraw/zinc/65/30/00/1079653000.db2.gz QQECFAHURKGQIK-CYBMUJFWSA-N 0 3 409.383 2.425 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C\NC[C@H]3CN4CCN3CC4)C2=O)cc1 ZINC000746521631 1079663140 /nfs/dbraw/zinc/66/31/40/1079663140.db2.gz IZZOCENUZJLVMD-OMNSNBSWSA-N 0 3 402.498 2.112 20 0 HEADHN CCCCCCN(C)CC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000767148595 1079714435 /nfs/dbraw/zinc/71/44/35/1079714435.db2.gz IJCPWLKHAWYHOU-SFTDATJTSA-N 0 3 400.567 2.214 20 0 HEADHN COC1(C)CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170040379 1079773611 /nfs/dbraw/zinc/77/36/11/1079773611.db2.gz ZYOVPZAORBHRQW-HOTGVXAUSA-N 0 3 413.584 2.398 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000767361230 1079828555 /nfs/dbraw/zinc/82/85/55/1079828555.db2.gz NZSQBAFBJZYWDD-NQIIRXRSSA-N 0 3 401.413 2.195 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000767361241 1079829241 /nfs/dbraw/zinc/82/92/41/1079829241.db2.gz NZSQBAFBJZYWDD-WIYYLYMNSA-N 0 3 401.413 2.195 20 0 HEADHN CN(C)[C@H](CNC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)c1ccccc1 ZINC000772411127 1079845768 /nfs/dbraw/zinc/84/57/68/1079845768.db2.gz BYXNZMNTEHKYTC-HXUWFJFHSA-N 0 3 411.506 2.036 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)NCCc3cn4c(n3)SCC4)cc2)CC1 ZINC000767533867 1079933766 /nfs/dbraw/zinc/93/37/66/1079933766.db2.gz RFHYRDMOJQWFPC-UHFFFAOYSA-N 0 3 400.552 2.495 20 0 HEADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCN1CCCC(C)(C)C1 ZINC000767741203 1080060396 /nfs/dbraw/zinc/06/03/96/1080060396.db2.gz ZJEMXNOVSBCZDV-HNNXBMFYSA-N 0 3 402.992 2.416 20 0 HEADHN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000767773129 1080080876 /nfs/dbraw/zinc/08/08/76/1080080876.db2.gz BDMBMFGUJLZSDQ-HMFYCAOWSA-N 0 3 403.523 2.406 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)c(F)cc2F)CC1=O ZINC000785650009 1080098343 /nfs/dbraw/zinc/09/83/43/1080098343.db2.gz ACYGVHKYCPPTDE-CABCVRRESA-N 0 3 408.445 2.332 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)COc2ccc(Cl)cc2)CC1=O ZINC000785656223 1080175628 /nfs/dbraw/zinc/17/56/28/1080175628.db2.gz SZKYKGAPZONYFK-WBVHZDCISA-N 0 3 422.909 2.164 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)COc2ccc(Cl)cc2)CC1=O ZINC000785656166 1080175706 /nfs/dbraw/zinc/17/57/06/1080175706.db2.gz SZKYKGAPZONYFK-DOTOQJQBSA-N 0 3 422.909 2.164 20 0 HEADHN CCC1(O)CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170049287 1080192043 /nfs/dbraw/zinc/19/20/43/1080192043.db2.gz ZOHBTNBJXFETNE-CVEARBPZSA-N 0 3 413.584 2.134 20 0 HEADHN CCC1(O)CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170049288 1080192203 /nfs/dbraw/zinc/19/22/03/1080192203.db2.gz ZOHBTNBJXFETNE-HOTGVXAUSA-N 0 3 413.584 2.134 20 0 HEADHN CCOC(=O)C1C(COC(=O)CN2[C@H](C)CC[C@@H]2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000785736328 1080209095 /nfs/dbraw/zinc/20/90/95/1080209095.db2.gz XYGHDNTUSMOSEF-MDOVXXIYSA-N 0 3 415.490 2.274 20 0 HEADHN C[C@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000767921543 1080216756 /nfs/dbraw/zinc/21/67/56/1080216756.db2.gz KAZUANGMJAZREM-WZONZLPQSA-N 0 3 418.582 2.426 20 0 HEADHN O=C(OCc1nnnn1Cc1ccccc1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785711259 1080219274 /nfs/dbraw/zinc/21/92/74/1080219274.db2.gz WPAPUAPVDKVZJT-UHFFFAOYSA-N 0 3 421.501 2.283 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N3CC[C@@H](N4CCCC4)C3)C[C@@H](C1)C2=O ZINC000767948353 1080237996 /nfs/dbraw/zinc/23/79/96/1080237996.db2.gz MSWUBHDYGVJIGM-HQSKLWIPSA-N 0 3 405.539 2.145 20 0 HEADHN Cc1cc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)ccc1N1C(=O)CCC1=O ZINC000785811176 1080254094 /nfs/dbraw/zinc/25/40/94/1080254094.db2.gz CMZMKIYFZHLVIF-MRXNPFEDSA-N 0 3 414.506 2.365 20 0 HEADHN Cn1ncc(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000785841913 1080267486 /nfs/dbraw/zinc/26/74/86/1080267486.db2.gz QUSUXLBNMJBLFS-UHFFFAOYSA-N 0 3 410.444 2.166 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3)c2)CC1 ZINC000768013457 1080282119 /nfs/dbraw/zinc/28/21/19/1080282119.db2.gz SAOCBPDSKYVRGD-NRFANRHFSA-N 0 3 410.518 2.005 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)c3ccsc3)c2)CC1 ZINC000768087256 1080321454 /nfs/dbraw/zinc/32/14/54/1080321454.db2.gz VWKRARVCTIMTGZ-LJQANCHMSA-N 0 3 416.547 2.067 20 0 HEADHN CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCN(C2CCOCC2)C[C@@H]1C ZINC000785974701 1080331430 /nfs/dbraw/zinc/33/14/30/1080331430.db2.gz CBODPNUMEPHRRM-SFHVURJKSA-N 0 3 416.566 2.196 20 0 HEADHN CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCN(C2CCOCC2)C[C@H]1C ZINC000785990788 1080351706 /nfs/dbraw/zinc/35/17/06/1080351706.db2.gz CBODPNUMEPHRRM-GOSISDBHSA-N 0 3 416.566 2.196 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)N(C)Cc1ccccc1 ZINC000768149785 1080355922 /nfs/dbraw/zinc/35/59/22/1080355922.db2.gz JEKNYDIBBSJLJZ-HNNXBMFYSA-N 0 3 414.481 2.103 20 0 HEADHN CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000768169313 1080382329 /nfs/dbraw/zinc/38/23/29/1080382329.db2.gz YQFZAYRJFIZJCT-CHWSQXEVSA-N 0 3 416.305 2.310 20 0 HEADHN CNC(=O)c1ccc(CON=C(N)CCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000786112733 1080404705 /nfs/dbraw/zinc/40/47/05/1080404705.db2.gz XOVCBICLCKJBOF-UHFFFAOYSA-N 0 3 409.534 2.253 20 0 HEADHN C[C@H]1[C@@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164865 1080435075 /nfs/dbraw/zinc/43/50/75/1080435075.db2.gz BIZMKGPBYDATCX-HOTGVXAUSA-N 0 3 403.527 2.417 20 0 HEADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000768297012 1080468342 /nfs/dbraw/zinc/46/83/42/1080468342.db2.gz VZLYRPHNQNVRJG-ZCFIWIBFSA-N 0 3 410.372 2.050 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000786280708 1080527019 /nfs/dbraw/zinc/52/70/19/1080527019.db2.gz BGYJTWBWYUWRGW-UHFFFAOYSA-N 0 3 420.517 2.054 20 0 HEADHN CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCCCC1 ZINC000786389608 1080582441 /nfs/dbraw/zinc/58/24/41/1080582441.db2.gz DENZWSXVKQVOSY-QGZVFWFLSA-N 0 3 422.570 2.027 20 0 HEADHN CC(C)[C@@H](CNC(=O)C(=O)NCC[S@@](=O)Cc1ccccc1)N1CCCCCC1 ZINC000786629152 1080723919 /nfs/dbraw/zinc/72/39/19/1080723919.db2.gz RILMBLCUFDEWHU-ACSYHNTCSA-N 0 3 421.607 2.068 20 0 HEADHN O=C(OCC1CCN(Cc2ccco2)CC1)c1cccc(CN2C(=O)CNC2=O)c1 ZINC000772688274 1080756585 /nfs/dbraw/zinc/75/65/85/1080756585.db2.gz DDUXTDXWERFGTK-UHFFFAOYSA-N 0 3 411.458 2.400 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@H](c2ccccc2)N(C)C)n1 ZINC000786732907 1080782433 /nfs/dbraw/zinc/78/24/33/1080782433.db2.gz NOWBDCMONDQNSI-QGZVFWFLSA-N 0 3 407.540 2.051 20 0 HEADHN NC(=NOCCOCC(F)(F)C(F)F)c1ccccc1CN1CCC(O)CC1 ZINC000786745025 1080790272 /nfs/dbraw/zinc/79/02/72/1080790272.db2.gz ZRRQZLOBSWEFJU-UHFFFAOYSA-N 0 3 407.408 2.407 20 0 HEADHN CN(C)S(=O)(=O)c1cccc(COC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786816534 1080840789 /nfs/dbraw/zinc/84/07/89/1080840789.db2.gz KVZLNCYRBILPJW-UHFFFAOYSA-N 0 3 402.516 2.429 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC001169997528 1080841375 /nfs/dbraw/zinc/84/13/75/1080841375.db2.gz AVOCKJAGVYNNPJ-HZPDHXFCSA-N 0 3 408.461 2.074 20 0 HEADHN CO[C@@H](CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(F)(F)F ZINC000786824228 1080846376 /nfs/dbraw/zinc/84/63/76/1080846376.db2.gz TXAXRPSGGMOMCW-PWSUYJOCSA-N 0 3 403.854 2.262 20 0 HEADHN CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)CCN2CCc3ccccc3C2)C1 ZINC000786824170 1080846390 /nfs/dbraw/zinc/84/63/90/1080846390.db2.gz DWTYIAOCFAXIAN-XLIONFOSSA-N 0 3 416.518 2.168 20 0 HEADHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 ZINC000786870367 1080862127 /nfs/dbraw/zinc/86/21/27/1080862127.db2.gz WIHYTWMKISCLBK-CYBMUJFWSA-N 0 3 414.934 2.332 20 0 HEADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000768953526 1080881357 /nfs/dbraw/zinc/88/13/57/1080881357.db2.gz WBAWDSVGKWDIPD-UXHICEINSA-N 0 3 405.539 2.364 20 0 HEADHN O=C(COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000786881522 1080884882 /nfs/dbraw/zinc/88/48/82/1080884882.db2.gz GKRYTPVADHCDHZ-INIZCTEOSA-N 0 3 410.417 2.495 20 0 HEADHN O=C(COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000786881522 1080884887 /nfs/dbraw/zinc/88/48/87/1080884887.db2.gz GKRYTPVADHCDHZ-INIZCTEOSA-N 0 3 410.417 2.495 20 0 HEADHN C[C@@H](N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000787012585 1080930043 /nfs/dbraw/zinc/93/00/43/1080930043.db2.gz HJASAORUEGLYCF-CKNLXJGOSA-N 0 3 406.504 2.438 20 0 HEADHN CCCCCCNC(=O)[C@@H]1CCCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000769202544 1081000893 /nfs/dbraw/zinc/00/08/93/1081000893.db2.gz WDIPPDCNJYHICJ-LJQANCHMSA-N 0 3 405.587 2.474 20 0 HEADHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc2c(c1)CC(=O)N2C ZINC000787175200 1081045437 /nfs/dbraw/zinc/04/54/37/1081045437.db2.gz VZFGMUJBHJAUGP-HZPDHXFCSA-N 0 3 400.523 2.161 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(OCc2ccccn2)cc1)N1CCCCC1 ZINC000787176424 1081045695 /nfs/dbraw/zinc/04/56/95/1081045695.db2.gz WGVPPZAIXFUXLE-SFHVURJKSA-N 0 3 410.518 2.267 20 0 HEADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(CCOCC(F)F)C2)CC1 ZINC000787186899 1081054736 /nfs/dbraw/zinc/05/47/36/1081054736.db2.gz STJHUSGRTKYUDP-OAHLLOKOSA-N 0 3 405.486 2.059 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1)N1CCCCC1 ZINC000787201034 1081060177 /nfs/dbraw/zinc/06/01/77/1081060177.db2.gz WXIBVLHLYKCXFT-GOSISDBHSA-N 0 3 401.555 2.069 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1OC(C)C ZINC000787233219 1081081963 /nfs/dbraw/zinc/08/19/63/1081081963.db2.gz VIDAULLOVMGRRL-IAGOWNOFSA-N 0 3 405.539 2.335 20 0 HEADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000787239307 1081086178 /nfs/dbraw/zinc/08/61/78/1081086178.db2.gz YSAOUVWJFNZMSQ-GOSISDBHSA-N 0 3 405.539 2.479 20 0 HEADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000787239314 1081086190 /nfs/dbraw/zinc/08/61/90/1081086190.db2.gz YSAOUVWJFNZMSQ-SFHVURJKSA-N 0 3 405.539 2.479 20 0 HEADHN CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746666871 1081099524 /nfs/dbraw/zinc/09/95/24/1081099524.db2.gz AYDGRDMAGZRWJP-OAQYLSRUSA-N 0 3 401.551 2.385 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3sc(C)nc3C)nn1)CC2 ZINC001164690058 719750033 /nfs/dbraw/zinc/75/00/33/719750033.db2.gz ROOLZBJQQUGEDJ-UHFFFAOYSA-N 0 3 400.552 2.398 20 0 HEADHN CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(S(C)(=O)=O)cn3)CC[C@@H]21 ZINC001164835637 720591604 /nfs/dbraw/zinc/59/16/04/720591604.db2.gz CCTOTUAOCMXOAK-AOIWGVFYSA-N 0 3 403.552 2.059 20 0 HEADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741903 720727336 /nfs/dbraw/zinc/72/73/36/720727336.db2.gz NIJVSYGEGGNQRQ-DLBZAZTESA-N 0 3 405.458 2.153 20 0 HEADHN Clc1nc2c(Cl)nccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737753 720753361 /nfs/dbraw/zinc/75/33/61/720753361.db2.gz CLRZBCBQAOXTGG-VXGBXAGGSA-N 0 3 418.288 2.464 20 0 HEADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)n1 ZINC001164750012 720787899 /nfs/dbraw/zinc/78/78/99/720787899.db2.gz UZUZEOWPBFNSNM-IAGOWNOFSA-N 0 3 407.478 2.387 20 0 HEADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741640 720802094 /nfs/dbraw/zinc/80/20/94/720802094.db2.gz BPFAHEMEEJGBRD-CVEARBPZSA-N 0 3 409.881 2.324 20 0 HEADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164747868 720805994 /nfs/dbraw/zinc/80/59/94/720805994.db2.gz PPXXEUFGFFHYQH-HUUCEWRRSA-N 0 3 405.437 2.382 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@@H]3OCC[C@@H]32)c1 ZINC001164763564 721016147 /nfs/dbraw/zinc/01/61/47/721016147.db2.gz YEQGLEOFJXOPRK-GIVPXCGWSA-N 0 3 409.534 2.181 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3[C@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)c1 ZINC001164861048 721029396 /nfs/dbraw/zinc/02/93/96/721029396.db2.gz NIXOTOQEONPOGB-HBMCJLEFSA-N 0 3 400.567 2.491 20 0 HEADHN COC(=O)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164866579 721053182 /nfs/dbraw/zinc/05/31/82/721053182.db2.gz FRXQLHQWXIOFIF-HOTGVXAUSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164769573 721087452 /nfs/dbraw/zinc/08/74/52/721087452.db2.gz OVOMECOTABEQDF-ROUUACIJSA-N 0 3 406.490 2.108 20 0 HEADHN O=C(c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1)N1CCCC1 ZINC001164866341 721117074 /nfs/dbraw/zinc/11/70/74/721117074.db2.gz SMAJIAPWSRZGIS-SFTDATJTSA-N 0 3 407.518 2.192 20 0 HEADHN COC(=O)c1cc2c(OC)[nH]c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)cc-2n1 ZINC001164769873 721125280 /nfs/dbraw/zinc/12/52/80/721125280.db2.gz PSDUMQYZGZQVSV-HOTGVXAUSA-N 0 3 424.505 2.050 20 0 HEADHN COc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c(OC)c1 ZINC001164773764 721146919 /nfs/dbraw/zinc/14/69/19/721146919.db2.gz YWCIFROHVNTJEL-DLBZAZTESA-N 0 3 408.506 2.339 20 0 HEADHN COc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c(OC)c1 ZINC001164773770 721147105 /nfs/dbraw/zinc/14/71/05/721147105.db2.gz YWCIFROHVNTJEL-IRXDYDNUSA-N 0 3 408.506 2.339 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)[nH]c-2n1 ZINC001164764044 721166461 /nfs/dbraw/zinc/16/64/61/721166461.db2.gz GCKFFUAKZPLBBE-ZWKOTPCHSA-N 0 3 408.506 2.431 20 0 HEADHN CCOC(=O)c1cc2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2[nH]1 ZINC001164764044 721166465 /nfs/dbraw/zinc/16/64/65/721166465.db2.gz GCKFFUAKZPLBBE-ZWKOTPCHSA-N 0 3 408.506 2.431 20 0 HEADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869750 721173814 /nfs/dbraw/zinc/17/38/14/721173814.db2.gz AULBNJAHMLMLTB-MSOLQXFVSA-N 0 3 411.506 2.090 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001164767209 721256354 /nfs/dbraw/zinc/25/63/54/721256354.db2.gz WFVBOTXNDWKASZ-HLAWJBBLSA-N 0 3 410.518 2.286 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@@H]3C2)nc1)C1CC1 ZINC001164766160 721256930 /nfs/dbraw/zinc/25/69/30/721256930.db2.gz SHIKWEAJWKMPRK-DUXKGJEZSA-N 0 3 410.518 2.284 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@H]3C2)nc1)C1CC1 ZINC001164766162 721257507 /nfs/dbraw/zinc/25/75/07/721257507.db2.gz SHIKWEAJWKMPRK-QMMLZNLJSA-N 0 3 410.518 2.284 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164766648 721257940 /nfs/dbraw/zinc/25/79/40/721257940.db2.gz VCYDBFSEMZMNQK-SESVDKBCSA-N 0 3 410.518 2.286 20 0 HEADHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]2C1 ZINC001164874254 721309166 /nfs/dbraw/zinc/30/91/66/721309166.db2.gz BRQHEBAKNWLVNG-BGYRXZFFSA-N 0 3 412.559 2.434 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5nc[nH]c5cc4Cl)C3)O2)CC1 ZINC001164890364 721420514 /nfs/dbraw/zinc/42/05/14/721420514.db2.gz SFJKTDVITCOQLZ-YWZLYKJASA-N 0 3 404.946 2.377 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164890057 721422165 /nfs/dbraw/zinc/42/21/65/721422165.db2.gz SBSDKRZGUNQHTB-NFBKMPQASA-N 0 3 414.598 2.232 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)c1 ZINC001164896969 721479258 /nfs/dbraw/zinc/47/92/58/721479258.db2.gz YTEQIALCTCZXKS-QWFCFKBJSA-N 0 3 404.530 2.193 20 0 HEADHN Cn1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164912371 721526918 /nfs/dbraw/zinc/52/69/18/721526918.db2.gz ZHYPVIAECWRDES-DZGCQCFKSA-N 0 3 402.861 2.498 20 0 HEADHN CCOC(=O)c1cnc(OC)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903997 721530006 /nfs/dbraw/zinc/53/00/06/721530006.db2.gz DTQAQYGDNUNRLN-WBVHZDCISA-N 0 3 416.453 2.143 20 0 HEADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903065 721544606 /nfs/dbraw/zinc/54/46/06/721544606.db2.gz BYSJUXFENQPXRN-ICSRJNTNSA-N 0 3 424.476 2.212 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(CN(C)C5CC5)cn4)C[C@H]32)cc1 ZINC001165027470 721797088 /nfs/dbraw/zinc/79/70/88/721797088.db2.gz VUWOVKCVMIPSMJ-YADHBBJMSA-N 0 3 422.529 2.301 20 0 HEADHN Cn1ccc(CN2CCOCC23CCN(c2ccc(CN4CCCC4)cn2)CC3)n1 ZINC001164935204 721907877 /nfs/dbraw/zinc/90/78/77/721907877.db2.gz CBDNOXZHSRGCSR-UHFFFAOYSA-N 0 3 410.566 2.282 20 0 HEADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001164952282 722002106 /nfs/dbraw/zinc/00/21/06/722002106.db2.gz RBWLVMWNZNRPOS-NEWSRXKRSA-N 0 3 413.547 2.300 20 0 HEADHN c1cn(-c2cncc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)cn1 ZINC001164960025 722058183 /nfs/dbraw/zinc/05/81/83/722058183.db2.gz DBIRWXBWYJTQMB-UHFFFAOYSA-N 0 3 405.506 2.176 20 0 HEADHN COCc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164983147 722115452 /nfs/dbraw/zinc/11/54/52/722115452.db2.gz YJYHUDITZCBPHK-PKOBYXMFSA-N 0 3 415.563 2.467 20 0 HEADHN COCc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164983145 722115800 /nfs/dbraw/zinc/11/58/00/722115800.db2.gz YJYHUDITZCBPHK-MJGOQNOKSA-N 0 3 415.563 2.467 20 0 HEADHN CCCNC(=O)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972822 722140353 /nfs/dbraw/zinc/14/03/53/722140353.db2.gz ATVHWMGRCNJMEU-FPOVZHCZSA-N 0 3 409.534 2.344 20 0 HEADHN c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ncccc2CN2CCCC2)c1 ZINC001164983012 722173417 /nfs/dbraw/zinc/17/34/17/722173417.db2.gz AWYXKVNHJKGRBU-HXUWFJFHSA-N 0 3 420.517 2.218 20 0 HEADHN CN1CCC[C@H](CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769649291 1078484311 /nfs/dbraw/zinc/48/43/11/1078484311.db2.gz QMHXUXGNHCBYGK-HXUWFJFHSA-N 0 3 423.579 2.296 20 0 HEADHN COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(Cc2ccccc2C)CC1 ZINC000745455485 1078490741 /nfs/dbraw/zinc/49/07/41/1078490741.db2.gz FLVHUKQASXRAGR-XSFVSMFZSA-N 0 3 403.548 2.093 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)[C@@H]2CCN(CC)[C@@H](C)C2)c(=O)[nH]c1=O ZINC000769655487 1078491545 /nfs/dbraw/zinc/49/15/45/1078491545.db2.gz ANJHEVXFLQBPBY-JKSUJKDBSA-N 0 3 414.572 2.023 20 0 HEADHN CON(C)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(C(C)C)C2)ccc1Cl ZINC000769658264 1078494677 /nfs/dbraw/zinc/49/46/77/1078494677.db2.gz XFOYURCGSSFCHC-CQSZACIVSA-N 0 3 403.932 2.125 20 0 HEADHN CON(C)S(=O)(=O)c1cc(C(=O)NCCN2CCCC(C)(C)C2)ccc1Cl ZINC000769707909 1078530362 /nfs/dbraw/zinc/53/03/62/1078530362.db2.gz QCVSRYZFKLDHEQ-UHFFFAOYSA-N 0 3 417.959 2.374 20 0 HEADHN CN(C)CCN(Cc1ccccn1)C(=O)c1nccn2c(Br)cnc12 ZINC000769783640 1078563914 /nfs/dbraw/zinc/56/39/14/1078563914.db2.gz ZWFAKDDYNOUSRD-UHFFFAOYSA-N 0 3 403.284 2.091 20 0 HEADHN C[C@H](CNC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)CN1CCN(C)CC1 ZINC000745861211 1078676446 /nfs/dbraw/zinc/67/64/46/1078676446.db2.gz AMYLJNDSNKAKCJ-UTKZUKDTSA-N 0 3 406.546 2.164 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(CC4CCOCC4)CC3)C2=O)cc1 ZINC000745879495 1078682915 /nfs/dbraw/zinc/68/29/15/1078682915.db2.gz SNEJPJPAZIAGJK-NRFANRHFSA-N 0 3 414.550 2.244 20 0 HEADHN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@@H](c1ccccc1)N(C)C ZINC000770046445 1078703434 /nfs/dbraw/zinc/70/34/34/1078703434.db2.gz GSFVYAQIPSNVGR-BEFAXECRSA-N 0 3 405.520 2.485 20 0 HEADHN C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@@H](c1ccccc1)N(C)C ZINC000770050423 1078705430 /nfs/dbraw/zinc/70/54/30/1078705430.db2.gz REYPAQKPFIXDFB-KUHUBIRLSA-N 0 3 407.511 2.497 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000746036215 1078738147 /nfs/dbraw/zinc/73/81/47/1078738147.db2.gz MFIJSFLSMGDIQK-GJZGRUSLSA-N 0 3 417.901 2.178 20 0 HEADHN COC(=O)c1c2c(sc1NC(=O)C(=O)NC[C@H](C)N1CCCCC1)CCCC2 ZINC000746037463 1078739333 /nfs/dbraw/zinc/73/93/33/1078739333.db2.gz FFEKSNOQWDDDNJ-ZDUSSCGKSA-N 0 3 407.536 2.343 20 0 HEADHN COc1cc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)ccc1NC(=O)OC(C)(C)C ZINC000746045964 1078756135 /nfs/dbraw/zinc/75/61/35/1078756135.db2.gz KTDLGGHOMNLJCQ-AWEZNQCLSA-N 0 3 420.510 2.439 20 0 HEADHN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@H](C)CCN3CCN(C)CC3)cc12 ZINC000770176012 1078748731 /nfs/dbraw/zinc/74/87/31/1078748731.db2.gz YWVQBFUPVVHVAQ-QGZVFWFLSA-N 0 3 406.534 2.485 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)cc1NC(=O)OC(C)(C)C ZINC000746045803 1078754969 /nfs/dbraw/zinc/75/49/69/1078754969.db2.gz KDIFVHSQARQAHW-CQSZACIVSA-N 0 3 420.510 2.439 20 0 HEADHN Cc1ncccc1CN[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013399 1078767297 /nfs/dbraw/zinc/76/72/97/1078767297.db2.gz GKGKJXOLNMAZOA-SJORKVTESA-N 0 3 406.552 2.391 20 0 HEADHN Cn1ccnc1[C@H](O)[C@H]1CCCN(Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000770336970 1078835617 /nfs/dbraw/zinc/83/56/17/1078835617.db2.gz PHMZIIDSZFCWQA-SIKLNZKXSA-N 0 3 412.534 2.367 20 0 HEADHN COC(=O)N1CC(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000770430392 1078852126 /nfs/dbraw/zinc/85/21/26/1078852126.db2.gz NEMSGHXFVAYABF-UHFFFAOYSA-N 0 3 402.417 2.229 20 0 HEADHN C[C@H](CNC(=O)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000746321579 1078858022 /nfs/dbraw/zinc/85/80/22/1078858022.db2.gz KSNJHYJUAOBNGC-JRGCBEDISA-N 0 3 406.546 2.307 20 0 HEADHN CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746357949 1078872829 /nfs/dbraw/zinc/87/28/29/1078872829.db2.gz UHWNGQIXVJMHLO-KRWDZBQOSA-N 0 3 405.495 2.210 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000770588498 1078899191 /nfs/dbraw/zinc/89/91/91/1078899191.db2.gz APZCPVYGTINPOD-ROUUACIJSA-N 0 3 411.591 2.053 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000770590681 1078899450 /nfs/dbraw/zinc/89/94/50/1078899450.db2.gz OEFANWSNOUSCSX-YOEHRIQHSA-N 0 3 402.461 2.064 20 0 HEADHN C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)OCCN2CCCCC2)C1=O ZINC000770583283 1078896451 /nfs/dbraw/zinc/89/64/51/1078896451.db2.gz IZMIHGJVJUALHR-IBGZPJMESA-N 0 3 411.861 2.275 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000770585759 1078897600 /nfs/dbraw/zinc/89/76/00/1078897600.db2.gz HBXVIXPKPLTXFM-KZNAEPCWSA-N 0 3 411.591 2.052 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000770594069 1078900392 /nfs/dbraw/zinc/90/03/92/1078900392.db2.gz IGUNUQIADYKNNZ-YOEHRIQHSA-N 0 3 402.461 2.064 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746407242 1078903421 /nfs/dbraw/zinc/90/34/21/1078903421.db2.gz PPNRDRMIUXCRHO-NWDGAFQWSA-N 0 3 416.703 2.020 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000746423682 1078918717 /nfs/dbraw/zinc/91/87/17/1078918717.db2.gz XBRGESLJGFTGER-ZDUSSCGKSA-N 0 3 409.412 2.430 20 0 HEADHN CN1CCN(c2ccncc2NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770682268 1078932162 /nfs/dbraw/zinc/93/21/62/1078932162.db2.gz MUTSVNTYBVJNDE-IBGZPJMESA-N 0 3 423.517 2.431 20 0 HEADHN C[NH+](C)CC1CCC([N-]S(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)CC1 ZINC000770699438 1078966576 /nfs/dbraw/zinc/96/65/76/1078966576.db2.gz OZFJXYJPOYONQO-UHFFFAOYSA-N 0 3 415.002 2.204 20 0 HEADHN CN(CCCN1CCN(C)CC1)C(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O ZINC000746449128 1078987142 /nfs/dbraw/zinc/98/71/42/1078987142.db2.gz NFEXDIGAVCJITC-UHFFFAOYSA-N 0 3 414.472 2.050 20 0 HEADHN Cc1[nH]nc(Br)c1C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001168790963 1078988799 /nfs/dbraw/zinc/98/87/99/1078988799.db2.gz APEIOGOCFOWOGO-GOSISDBHSA-N 0 3 407.312 2.190 20 0 HEADHN CCN(c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000770804401 1079025693 /nfs/dbraw/zinc/02/56/93/1079025693.db2.gz VMLAPGIHSBEULP-GOSISDBHSA-N 0 3 403.571 2.002 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000770805582 1079026630 /nfs/dbraw/zinc/02/66/30/1079026630.db2.gz ZKTSKUFSZLXNPH-OAHLLOKOSA-N 0 3 422.620 2.246 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)Nc2cccc(S(C)(=O)=O)c2)C1 ZINC000746482657 1079041153 /nfs/dbraw/zinc/04/11/53/1079041153.db2.gz JPGIJJPANXKWMI-IBGZPJMESA-N 0 3 401.532 2.235 20 0 HEADHN C[C@H]1C[C@@H](N2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168858770 1079055229 /nfs/dbraw/zinc/05/52/29/1079055229.db2.gz QZTHJKMLGPEPMT-QXDIGNSFSA-N 0 3 409.527 2.028 20 0 HEADHN C[C@@H]1C[C@H](N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168860599 1079055716 /nfs/dbraw/zinc/05/57/16/1079055716.db2.gz VZWORMLBADCAQY-OWSLCNJRSA-N 0 3 403.527 2.012 20 0 HEADHN C[C@H]1C[C@H](n2nc(C(=O)NCC3CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168862074 1079056875 /nfs/dbraw/zinc/05/68/75/1079056875.db2.gz COCMOMUHMIBXKE-ZFWWWQNUSA-N 0 3 403.527 2.239 20 0 HEADHN C[C@@H]1C[C@H](N2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844811 1079059895 /nfs/dbraw/zinc/05/98/95/1079059895.db2.gz DSCVBWAJAZRVNK-ICBNADEASA-N 0 3 407.555 2.486 20 0 HEADHN CN1CCC(NC(=O)c2ccc(N[C@H]3CCCN(C(=O)c4ccccc4)C3)nn2)CC1 ZINC001168895112 1079063820 /nfs/dbraw/zinc/06/38/20/1079063820.db2.gz BBMHWJSSKBLLCG-IBGZPJMESA-N 0 3 422.533 2.017 20 0 HEADHN COC(=O)c1nn(-c2ccccc2)cc1OC[C@H](O)CN(C)[C@@H](C)c1ccncc1 ZINC001168951252 1079085349 /nfs/dbraw/zinc/08/53/49/1079085349.db2.gz YRNZNDBDNIUVRT-QFBILLFUSA-N 0 3 410.474 2.487 20 0 HEADHN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N(C)S(=O)(=O)CCN)c23)C1 ZINC001156239534 1079093311 /nfs/dbraw/zinc/09/33/11/1079093311.db2.gz UFWCPKZPJDVSNF-CYBMUJFWSA-N 0 3 423.608 2.137 20 0 HEADHN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771040563 1079113005 /nfs/dbraw/zinc/11/30/05/1079113005.db2.gz REYIGQQWFASEHX-CVEARBPZSA-N 0 3 401.573 2.002 20 0 HEADHN Cc1cccc(CN2CC[C@@H](NC(=O)CNc3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC001169149874 1079166713 /nfs/dbraw/zinc/16/67/13/1079166713.db2.gz OYKUMHIUMGMUPG-LJQANCHMSA-N 0 3 401.532 2.201 20 0 HEADHN Cc1cc([C@@H]2CCCN2[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)no1 ZINC001169191368 1079179783 /nfs/dbraw/zinc/17/97/83/1079179783.db2.gz MPBNJKISQXDRJC-YOEHRIQHSA-N 0 3 414.510 2.126 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccccc2CO)C[C@H]1C(=O)N1CCSC1 ZINC001170022478 1079189845 /nfs/dbraw/zinc/18/98/45/1079189845.db2.gz QDCLTWDHOJPANB-ROUUACIJSA-N 0 3 421.563 2.179 20 0 HEADHN Cc1[nH]c(=O)c(CNc2ccc(C(=O)NC3CCN(C)CC3)nn2)c2c1CCCC2 ZINC001169400995 1079274566 /nfs/dbraw/zinc/27/45/66/1079274566.db2.gz KNWKENSDMIBLJR-UHFFFAOYSA-N 0 3 410.522 2.201 20 0 HEADHN CCCNC(=O)c1ccc(O[C@H]2CCN([C@H]3CC[C@@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416236 1079276574 /nfs/dbraw/zinc/27/65/74/1079276574.db2.gz BCBLITSGKKJUTR-IHPCNDPISA-N 0 3 404.507 2.390 20 0 HEADHN COC(=O)Nc1ccc(CCNC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000771328288 1079289924 /nfs/dbraw/zinc/28/99/24/1079289924.db2.gz SGJLHKNNZZSTBJ-UHFFFAOYSA-N 0 3 405.543 2.123 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(CCN1CCCCC1)C2=O ZINC000766710481 1079297438 /nfs/dbraw/zinc/29/74/38/1079297438.db2.gz FMGBPWMQQHLQSB-IIBYNOLFSA-N 0 3 408.543 2.478 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771343334 1079299446 /nfs/dbraw/zinc/29/94/46/1079299446.db2.gz GZDCOFDKCICUQI-QGZVFWFLSA-N 0 3 411.591 2.005 20 0 HEADHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC001169540904 1079326120 /nfs/dbraw/zinc/32/61/20/1079326120.db2.gz SCSRSUYSCMDXIK-CHWSQXEVSA-N 0 3 402.308 2.304 20 0 HEADHN CC(=O)N1CCC[C@@H](N[C@H](CN)C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC001169594376 1079337621 /nfs/dbraw/zinc/33/76/21/1079337621.db2.gz NLRCYQBBWINECB-UZUQRXQVSA-N 0 3 407.514 2.270 20 0 HEADHN C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC000771509863 1079366108 /nfs/dbraw/zinc/36/61/08/1079366108.db2.gz QFWOGYBUCGODJD-KUHUBIRLSA-N 0 3 407.511 2.497 20 0 HEADHN CCOC(=O)N1CCC[C@H](n2nc(C(=O)N3CCC[C@H]3C)c3c2CCNC3)CC1 ZINC001169694430 1079374843 /nfs/dbraw/zinc/37/48/43/1079374843.db2.gz QQKJDISZGKMBHF-CVEARBPZSA-N 0 3 403.527 2.337 20 0 HEADHN COC(=O)CCN1CCC[C@@H](N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C1=O ZINC001169705429 1079380897 /nfs/dbraw/zinc/38/08/97/1079380897.db2.gz SQEKHUVFCGZLOO-VGSWGCGISA-N 0 3 423.554 2.264 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C2)CC1 ZINC001169710198 1079381387 /nfs/dbraw/zinc/38/13/87/1079381387.db2.gz MSLSLPJJWFVJBY-YWZLYKJASA-N 0 3 413.515 2.140 20 0 HEADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN1CC[C@H](OCc3ccncc3)C1)OC2=O ZINC001169716297 1079383599 /nfs/dbraw/zinc/38/35/99/1079383599.db2.gz SYVYESUZVUFYBX-ROUUACIJSA-N 0 3 417.506 2.225 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000771657487 1079428377 /nfs/dbraw/zinc/42/83/77/1079428377.db2.gz NLMJPYQTDWZJGK-OAHLLOKOSA-N 0 3 402.470 2.427 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000771659142 1079429193 /nfs/dbraw/zinc/42/91/93/1079429193.db2.gz ZPUPSJWXWMJQGH-MJGOQNOKSA-N 0 3 404.555 2.395 20 0 HEADHN Cc1ccc(C2N=NC(=S)N2CC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000771664920 1079434276 /nfs/dbraw/zinc/43/42/76/1079434276.db2.gz ZNTQRVVQPNOCGU-UHFFFAOYSA-N 0 3 416.595 2.075 20 0 HEADHN COc1cccc(C2(NCCC(=O)NC(=O)NCC(F)(F)F)CCOCC2)c1F ZINC001169844213 1079443628 /nfs/dbraw/zinc/44/36/28/1079443628.db2.gz MEVOMRANJSKRCE-UHFFFAOYSA-N 0 3 421.391 2.208 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)COC3CN(C(=O)OC(C)(C)C)C3)c2)CC1 ZINC000771637036 1079444045 /nfs/dbraw/zinc/44/40/45/1079444045.db2.gz MWGPKIODSSIMIC-UHFFFAOYSA-N 0 3 418.538 2.403 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1NC[C@@H]1COC(C)(C)O1 ZINC001169909003 1079473193 /nfs/dbraw/zinc/47/31/93/1079473193.db2.gz OQXSPDDKMCJYJQ-DOTOQJQBSA-N 0 3 420.554 2.444 20 0 HEADHN O=C(NCCS(=O)(=O)N1CCC[C@H]1CN1CCCCC1)OCc1ccccc1 ZINC000771751501 1079480788 /nfs/dbraw/zinc/48/07/88/1079480788.db2.gz LUEYFANGDYTYFP-IBGZPJMESA-N 0 3 409.552 2.193 20 0 HEADHN Cc1cc(=O)oc2cc(NC(=O)[C@@H](N[C@@H]3CCCC4(C3)OCCO4)[C@@H](C)O)ccc12 ZINC001169935258 1079481419 /nfs/dbraw/zinc/48/14/19/1079481419.db2.gz KPZRUONNJQUUMR-KKVAFCGZSA-N 0 3 416.474 2.065 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000737821238 1075933291 /nfs/dbraw/zinc/93/32/91/1075933291.db2.gz REKASCNFGKDFGQ-CHWSQXEVSA-N 0 3 406.280 2.296 20 0 HEADHN Cc1ccccc1[C@@]1(C)NC(=O)N(CN2CCC(CCN3CCOCC3)CC2)C1=O ZINC000738111552 1075965636 /nfs/dbraw/zinc/96/56/36/1075965636.db2.gz NHAZWYYHIPFBIS-HSZRJFAPSA-N 0 3 414.550 2.154 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2[nH]c(-c3ccc(Cl)cc3)nc2=S)CC1 ZINC000738160438 1075970837 /nfs/dbraw/zinc/97/08/37/1075970837.db2.gz IXIJRNVLYYXHLR-UHFFFAOYSA-N 0 3 420.970 2.459 20 0 HEADHN CCn1c(-c2ccccc2)nn(CN2CCN(C(=O)CN3CCCC3)CC2)c1=S ZINC000738161195 1075970856 /nfs/dbraw/zinc/97/08/56/1075970856.db2.gz OUAPWDJDWDDHLU-UHFFFAOYSA-N 0 3 414.579 2.298 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=S)CC1 ZINC000738161651 1075970887 /nfs/dbraw/zinc/97/08/87/1075970887.db2.gz SGLUNQUSEKVURC-UHFFFAOYSA-N 0 3 405.499 2.209 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1Cn1nc(N2CCOCC2)n(CC(F)(F)F)c1=S ZINC000738285236 1075979242 /nfs/dbraw/zinc/97/92/42/1075979242.db2.gz HTCHNTWJAJFODV-AWEZNQCLSA-N 0 3 422.521 2.042 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000738286574 1075979662 /nfs/dbraw/zinc/97/96/62/1075979662.db2.gz XLOGAXKJNIRFBY-LPHOPBHVSA-N 0 3 423.355 2.446 20 0 HEADHN COCCN1CC[C@H](NC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)C1 ZINC000739034175 1076032170 /nfs/dbraw/zinc/03/21/70/1076032170.db2.gz FQQCMWWXMIERIM-HOCLYGCPSA-N 0 3 409.836 2.110 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000739067653 1076035645 /nfs/dbraw/zinc/03/56/45/1076035645.db2.gz LKCOYDVHMJHNBW-AVRDEDQJSA-N 0 3 424.545 2.139 20 0 HEADHN CN(c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1)C1CC[NH+](C)CC1 ZINC000739127952 1076048399 /nfs/dbraw/zinc/04/83/99/1076048399.db2.gz WBSNNPCOQHFZLK-UHFFFAOYSA-N 0 3 414.481 2.317 20 0 HEADHN NC(=O)[C@@H]1CC(C(=O)N(CCN2CCCC2)c2ccccc2)=NN1c1ccc(F)cc1 ZINC000739649257 1076069351 /nfs/dbraw/zinc/06/93/51/1076069351.db2.gz KDVNSXZRJSELAQ-NRFANRHFSA-N 0 3 423.492 2.375 20 0 HEADHN CS(=O)(=O)c1cc(C(=O)N2CC[C@H](CN3CCCC3)C2)ccc1Br ZINC000739788624 1076075281 /nfs/dbraw/zinc/07/52/81/1076075281.db2.gz QZHKMFUGFFDVKA-CYBMUJFWSA-N 0 3 415.353 2.411 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3ccsc3)cc2)CC1 ZINC000740033676 1076097327 /nfs/dbraw/zinc/09/73/27/1076097327.db2.gz NODMHRNZVZBXOY-FQEVSTJZSA-N 0 3 402.564 2.418 20 0 HEADHN COc1cccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000740743178 1076230784 /nfs/dbraw/zinc/23/07/84/1076230784.db2.gz UYGFLRQGGZQEIH-MRXNPFEDSA-N 0 3 424.501 2.296 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1ccc(F)c(S(N)(=O)=O)c1 ZINC000740847094 1076266533 /nfs/dbraw/zinc/26/65/33/1076266533.db2.gz NBMCIZKXMAZAKQ-HNNXBMFYSA-N 0 3 405.495 2.210 20 0 HEADHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NC3CCN(CCOC)CC3)ccc2NC1=O ZINC000466748647 1076349707 /nfs/dbraw/zinc/34/97/07/1076349707.db2.gz ANVPXSLBFQEACC-KDOFPFPSSA-N 0 3 404.511 2.267 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000741209392 1076404244 /nfs/dbraw/zinc/40/42/44/1076404244.db2.gz JIOFPOWBPUDGOC-WOJBJXKFSA-N 0 3 414.527 2.254 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CCO1 ZINC000741267043 1076436804 /nfs/dbraw/zinc/43/68/04/1076436804.db2.gz PYFWDPWEISWCIR-IRXDYDNUSA-N 0 3 409.552 2.495 20 0 HEADHN C[C@@H](NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000741414732 1076515431 /nfs/dbraw/zinc/51/54/31/1076515431.db2.gz VFUIMUNSPLPGEM-MZNJEOGPSA-N 0 3 422.529 2.203 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@H](NC(=O)N1CCN(CC2CCOCC2)CC1)C1CC1 ZINC000741431466 1076524581 /nfs/dbraw/zinc/52/45/81/1076524581.db2.gz GBVMLIBOXAINJB-GOSISDBHSA-N 0 3 410.559 2.044 20 0 HEADHN COC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1)C(C)C ZINC000741610484 1076565691 /nfs/dbraw/zinc/56/56/91/1076565691.db2.gz CMSHDOLTEHAKLC-ROUUACIJSA-N 0 3 404.511 2.172 20 0 HEADHN C[C@H](NC(=O)OC(C)(C)C)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000741786337 1076626863 /nfs/dbraw/zinc/62/68/63/1076626863.db2.gz VRIATEXCAKTIPK-HNNXBMFYSA-N 0 3 408.543 2.476 20 0 HEADHN S=c1n(CN2CC[C@@H](N3CC=CC3)C2)nc(N2CCCCC2)n1C[C@@H]1CCCO1 ZINC000742164243 1076761039 /nfs/dbraw/zinc/76/10/39/1076761039.db2.gz YSSFITWMBZYEIT-MOPGFXCFSA-N 0 3 418.611 2.487 20 0 HEADHN CCN1C(=S)N=NC1C1CCN(C(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000742253459 1076810148 /nfs/dbraw/zinc/81/01/48/1076810148.db2.gz QYEVCRXZJYSUDY-UHFFFAOYSA-N 0 3 407.584 2.328 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)N(C)C)cc1 ZINC000742396784 1076834212 /nfs/dbraw/zinc/83/42/12/1076834212.db2.gz GXNXMCUXGHTNAN-QGZVFWFLSA-N 0 3 405.520 2.405 20 0 HEADHN Cc1ncsc1-c1nc2ccccc2n1CC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000742598113 1076854700 /nfs/dbraw/zinc/85/47/00/1076854700.db2.gz DEAAJFHEDNNNJV-JKSUJKDBSA-N 0 3 411.531 2.448 20 0 HEADHN Cc1c(C(=O)NCC[C@H](O)c2ccccc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000742823113 1076883388 /nfs/dbraw/zinc/88/33/88/1076883388.db2.gz LFKIBLXIHDHONZ-NRFANRHFSA-N 0 3 405.502 2.417 20 0 HEADHN CC(C)[C@H](CNC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)N1CCN(C)CC1 ZINC000742833844 1076885427 /nfs/dbraw/zinc/88/54/27/1076885427.db2.gz IVQAZOCHTBBUEP-IBGZPJMESA-N 0 3 410.603 2.412 20 0 HEADHN COC(=O)CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)C1CCOCC1 ZINC000742962609 1076907977 /nfs/dbraw/zinc/90/79/77/1076907977.db2.gz LJZHAPAKMAZUKP-UHFFFAOYSA-N 0 3 417.550 2.160 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000743208732 1077000650 /nfs/dbraw/zinc/00/06/50/1077000650.db2.gz NNQLEDBYGBVCMI-QGZVFWFLSA-N 0 3 419.551 2.056 20 0 HEADHN COc1ccc(NC(=O)N2CCN(CC3CCOCC3)CC2)cc1N1CCOC1=O ZINC000743236657 1077011087 /nfs/dbraw/zinc/01/10/87/1077011087.db2.gz ORBWRQRTCRXXEH-UHFFFAOYSA-N 0 3 418.494 2.228 20 0 HEADHN Cc1c(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cccc1N1CCOC1=O ZINC000743244740 1077013206 /nfs/dbraw/zinc/01/32/06/1077013206.db2.gz LNYXUVNXVRVIHI-SFHVURJKSA-N 0 3 417.510 2.016 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000743375367 1077044407 /nfs/dbraw/zinc/04/44/07/1077044407.db2.gz GWBIKXZDPGMWEW-FQEVSTJZSA-N 0 3 406.486 2.141 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000743855329 1077143289 /nfs/dbraw/zinc/14/32/89/1077143289.db2.gz LQKJRRPUZCRNBE-UYAOXDASSA-N 0 3 403.523 2.214 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000743855328 1077143702 /nfs/dbraw/zinc/14/37/02/1077143702.db2.gz LQKJRRPUZCRNBE-QUCCMNQESA-N 0 3 403.523 2.214 20 0 HEADHN C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000743914316 1077192008 /nfs/dbraw/zinc/19/20/08/1077192008.db2.gz NAQLIYZUMXISTF-CQSZACIVSA-N 0 3 404.511 2.421 20 0 HEADHN COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000743899829 1077213415 /nfs/dbraw/zinc/21/34/15/1077213415.db2.gz JSPHRHOBCAYSJO-UHFFFAOYSA-N 0 3 403.523 2.409 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000743939143 1077232350 /nfs/dbraw/zinc/23/23/50/1077232350.db2.gz JCOHVYYYMCWTNA-ZCNNSNEGSA-N 0 3 414.550 2.087 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3cccc(CN(C)C)c3)C2=O)cc1 ZINC000743957039 1077265645 /nfs/dbraw/zinc/26/56/45/1077265645.db2.gz QKIODNUSVKQPBB-FQEVSTJZSA-N 0 3 408.502 2.307 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000743972082 1077275704 /nfs/dbraw/zinc/27/57/04/1077275704.db2.gz IZRUJQOJUXEZPO-JOCHJYFZSA-N 0 3 422.529 2.195 20 0 HEADHN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743978657 1077291252 /nfs/dbraw/zinc/29/12/52/1077291252.db2.gz MOECPBUBHUDSFU-AEFFLSMTSA-N 0 3 414.550 2.406 20 0 HEADHN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c1 ZINC000743978388 1077291687 /nfs/dbraw/zinc/29/16/87/1077291687.db2.gz HTYOQEKLEZHJRG-AWEZNQCLSA-N 0 3 408.930 2.359 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 ZINC000743978372 1077291753 /nfs/dbraw/zinc/29/17/53/1077291753.db2.gz HLCTYMODOAZYEI-CYBMUJFWSA-N 0 3 409.412 2.430 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000743978415 1077292057 /nfs/dbraw/zinc/29/20/57/1077292057.db2.gz IOCHVTVQEQLTKR-VIFPVBQESA-N 0 3 412.418 2.157 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000743979636 1077292582 /nfs/dbraw/zinc/29/25/82/1077292582.db2.gz UZWVSGZBLNCWSJ-GOEBONIOSA-N 0 3 409.914 2.437 20 0 HEADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)Nc3ccc(F)nc3)CC2)c1 ZINC000766320751 1077448329 /nfs/dbraw/zinc/44/83/29/1077448329.db2.gz IBOPLVRCSBKITA-UHFFFAOYSA-N 0 3 413.497 2.186 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cnc4n[nH]c(C)c4c3)cc2)CC1 ZINC000744786220 1077583406 /nfs/dbraw/zinc/58/34/06/1077583406.db2.gz YSAFRYBIWGTVQC-UHFFFAOYSA-N 0 3 422.489 2.204 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CCCCN3CC)cc2)CC1 ZINC000745082877 1077735266 /nfs/dbraw/zinc/73/52/66/1077735266.db2.gz JLUQBDBYQUKJKI-FQEVSTJZSA-N 0 3 402.539 2.185 20 0 HEADHN COc1cc2c(cc1OC)CCN(CCC(=O)Nc1sccc1C(N)=O)CC2 ZINC000771796760 1079512301 /nfs/dbraw/zinc/51/23/01/1079512301.db2.gz ZXSKCKDTWJMRCZ-UHFFFAOYSA-N 0 3 403.504 2.294 20 0 HEADHN CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN[C@H](CCO)C2CC2)cc1 ZINC000771798471 1079512883 /nfs/dbraw/zinc/51/28/83/1079512883.db2.gz AGPBVBAFCGYLNX-HXUWFJFHSA-N 0 3 423.579 2.329 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761371 1079514981 /nfs/dbraw/zinc/51/49/81/1079514981.db2.gz LBJVMVXRSLIEQH-OALUTQOASA-N 0 3 404.555 2.347 20 0 HEADHN CS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2CN2CCC(O)CC2)c1 ZINC000771842029 1079532990 /nfs/dbraw/zinc/53/29/90/1079532990.db2.gz SJIMUEXHDRUTPI-UHFFFAOYSA-N 0 3 420.506 2.116 20 0 HEADHN COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000771810233 1079541936 /nfs/dbraw/zinc/54/19/36/1079541936.db2.gz GEZRCGVOEZJYDA-UHFFFAOYSA-N 0 3 407.467 2.202 20 0 HEADHN C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000766968939 1079564882 /nfs/dbraw/zinc/56/48/82/1079564882.db2.gz IRPONBABKCVXDF-XJKSGUPXSA-N 0 3 412.458 2.376 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C\NC[C@@H]3CN4CCN3CC4)C2=O)cc1C ZINC000746522006 1079657337 /nfs/dbraw/zinc/65/73/37/1079657337.db2.gz JFASNFIITABBRX-KMUCBOENSA-N 0 3 416.525 2.421 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN(C)[C@H]2CCSC2)CC1 ZINC000767115787 1079683153 /nfs/dbraw/zinc/68/31/53/1079683153.db2.gz KKQXRDKIMIUOHM-FQEVSTJZSA-N 0 3 419.591 2.010 20 0 HEADHN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000767353554 1079826643 /nfs/dbraw/zinc/82/66/43/1079826643.db2.gz GFHMDWVQGDKQQH-AABGKKOBSA-N 0 3 403.523 2.307 20 0 HEADHN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000767463287 1079866264 /nfs/dbraw/zinc/86/62/64/1079866264.db2.gz UXCGFGFQQIRSCZ-LAUBAEHRSA-N 0 3 413.566 2.028 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000772487557 1079902818 /nfs/dbraw/zinc/90/28/18/1079902818.db2.gz IAAYCMMTTCRNDQ-SJORKVTESA-N 0 3 412.515 2.151 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CC[C@]3(CCCO3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170044285 1079916773 /nfs/dbraw/zinc/91/67/73/1079916773.db2.gz PZXRSTQSRIAHEU-GQIGUUNPSA-N 0 3 411.568 2.152 20 0 HEADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)C1=Cc2ccccc2OCC1 ZINC000772581927 1079942316 /nfs/dbraw/zinc/94/23/16/1079942316.db2.gz WFWSJIARJPSSEI-IBGZPJMESA-N 0 3 407.580 2.488 20 0 HEADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)O[C@H](C)C2 ZINC000785497864 1080020948 /nfs/dbraw/zinc/02/09/48/1080020948.db2.gz AWDCLRAIPXTHRD-JKSUJKDBSA-N 0 3 403.523 2.016 20 0 HEADHN CC[C@@]1(C)CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCO1 ZINC000785509674 1080027779 /nfs/dbraw/zinc/02/77/79/1080027779.db2.gz DWYABLJLQINDOG-FCHUYYIVSA-N 0 3 400.523 2.031 20 0 HEADHN CCO[C@@H]1CCCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170047713 1080059724 /nfs/dbraw/zinc/05/97/24/1080059724.db2.gz HBPAKGRNMZRTFT-ZACQAIPSSA-N 0 3 413.584 2.398 20 0 HEADHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000785582314 1080059892 /nfs/dbraw/zinc/05/98/92/1080059892.db2.gz GCDINQGLXYBOQA-QGZVFWFLSA-N 0 3 411.550 2.155 20 0 HEADHN CS(=O)(=O)Nc1ccc(N2CCN(CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000767745225 1080062498 /nfs/dbraw/zinc/06/24/98/1080062498.db2.gz IQIAGVFPMDQRAE-UHFFFAOYSA-N 0 3 401.532 2.358 20 0 HEADHN COc1ccc(-c2ncc(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)s2)cc1OC ZINC000767777489 1080083151 /nfs/dbraw/zinc/08/31/51/1080083151.db2.gz UIGJMXYCDOFBIW-GJZGRUSLSA-N 0 3 403.504 2.420 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)c(F)cc2F)CC1=O ZINC000785650011 1080098900 /nfs/dbraw/zinc/09/89/00/1080098900.db2.gz ACYGVHKYCPPTDE-GJZGRUSLSA-N 0 3 408.445 2.332 20 0 HEADHN CN(C[C@@H]1CCCCO1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170048920 1080161115 /nfs/dbraw/zinc/16/11/15/1080161115.db2.gz VJQWVFYQAJYABL-ULQDDVLXSA-N 0 3 413.584 2.398 20 0 HEADHN CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785708518 1080216550 /nfs/dbraw/zinc/21/65/50/1080216550.db2.gz JAXLCRUKGRCBDY-IBGZPJMESA-N 0 3 402.491 2.383 20 0 HEADHN COC(=O)c1n[nH]c2ccc(NC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)cc21 ZINC000785810211 1080253398 /nfs/dbraw/zinc/25/33/98/1080253398.db2.gz TWQNTFVVOJBZEA-ZDUSSCGKSA-N 0 3 401.467 2.067 20 0 HEADHN O=C(C[C@@H](O)c1cccc(F)c1)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000772674228 1080298947 /nfs/dbraw/zinc/29/89/47/1080298947.db2.gz BDIJCNQLBQPFFK-OAQYLSRUSA-N 0 3 413.493 2.391 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H](O)c3ccsc3)c2)CC1 ZINC000768087255 1080320658 /nfs/dbraw/zinc/32/06/58/1080320658.db2.gz VWKRARVCTIMTGZ-IBGZPJMESA-N 0 3 416.547 2.067 20 0 HEADHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccn(Cc2ccccn2)n1)N(C)C ZINC000786025489 1080340176 /nfs/dbraw/zinc/34/01/76/1080340176.db2.gz OMDLZIQXDPJPPJ-LAUBAEHRSA-N 0 3 420.517 2.381 20 0 HEADHN CN(C[C@@H]1CCCN(C)C1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768145294 1080353325 /nfs/dbraw/zinc/35/33/25/1080353325.db2.gz DVPAEIHYBDQRLU-CSNJMZFVSA-N 0 3 407.555 2.249 20 0 HEADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000768191774 1080406225 /nfs/dbraw/zinc/40/62/25/1080406225.db2.gz KBSSELYHABIOLN-UHFFFAOYSA-N 0 3 420.510 2.118 20 0 HEADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C1 ZINC000768271797 1080453888 /nfs/dbraw/zinc/45/38/88/1080453888.db2.gz LSACFIGWNNGXME-PKOBYXMFSA-N 0 3 420.554 2.351 20 0 HEADHN O=C(NCCO)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000768316117 1080502135 /nfs/dbraw/zinc/50/21/35/1080502135.db2.gz CXIYEUCJTOPFBM-UHFFFAOYSA-N 0 3 405.502 2.255 20 0 HEADHN CC(C)(C)OC(=O)N1CCc2cccc(CN3CCC(C(=O)NCCO)CC3)c21 ZINC000768318628 1080505952 /nfs/dbraw/zinc/50/59/52/1080505952.db2.gz MGNWRVDDQMGAOZ-UHFFFAOYSA-N 0 3 403.523 2.305 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000768368904 1080517315 /nfs/dbraw/zinc/51/73/15/1080517315.db2.gz VFWHTTQONNQDQN-NFBKMPQASA-N 0 3 414.550 2.088 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC000786274151 1080522487 /nfs/dbraw/zinc/52/24/87/1080522487.db2.gz YIFNMMHWEZBRQV-MRXNPFEDSA-N 0 3 401.511 2.242 20 0 HEADHN COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000804368212 1080533075 /nfs/dbraw/zinc/53/30/75/1080533075.db2.gz AFWRCBSCXJWRJZ-LJQANCHMSA-N 0 3 413.440 2.153 20 0 HEADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N[C@H]1CCCC2(C1)OCCO2 ZINC000768388176 1080537061 /nfs/dbraw/zinc/53/70/61/1080537061.db2.gz OLUPWMIIDBMFKB-IBGZPJMESA-N 0 3 403.523 2.128 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC000768428884 1080550395 /nfs/dbraw/zinc/55/03/95/1080550395.db2.gz KYLXSYYFJLTKTL-IEBWSBKVSA-N 0 3 420.554 2.036 20 0 HEADHN COC(=O)CCc1cccc(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)c1 ZINC000786345752 1080553485 /nfs/dbraw/zinc/55/34/85/1080553485.db2.gz XRGUUILGYZOLOB-OAQYLSRUSA-N 0 3 423.513 2.464 20 0 HEADHN C[C@H](NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)C1=CCN(C)CC1 ZINC000786414174 1080591674 /nfs/dbraw/zinc/59/16/74/1080591674.db2.gz PVPUMROIBDUCJR-INIZCTEOSA-N 0 3 422.570 2.097 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 ZINC000786719297 1080771172 /nfs/dbraw/zinc/77/11/72/1080771172.db2.gz OOBUCEHNRWYGKV-QZTJIDSGSA-N 0 3 419.551 2.193 20 0 HEADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1ccc2c(c1)OCO2 ZINC000743767791 1080792021 /nfs/dbraw/zinc/79/20/21/1080792021.db2.gz CTGZFXKNLLXKMJ-AWEZNQCLSA-N 0 3 411.911 2.266 20 0 HEADHN CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786828542 1080827336 /nfs/dbraw/zinc/82/73/36/1080827336.db2.gz OOOOZJWRKGQEIN-INIZCTEOSA-N 0 3 409.486 2.365 20 0 HEADHN O=C(COC(=O)CCN1CCc2ccccc2C1)NCCOc1ccc(F)cc1 ZINC000786815115 1080840483 /nfs/dbraw/zinc/84/04/83/1080840483.db2.gz RPDQJEUEOGNDNX-UHFFFAOYSA-N 0 3 400.450 2.312 20 0 HEADHN O=C(CCN1CCc2ccccc2C1)OCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000786815136 1080840500 /nfs/dbraw/zinc/84/05/00/1080840500.db2.gz AAOPSDXLCACBRH-UHFFFAOYSA-N 0 3 421.541 2.322 20 0 HEADHN COc1ccc(NC(=O)NC(=O)COC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786816484 1080840922 /nfs/dbraw/zinc/84/09/22/1080840922.db2.gz XOZOCKMFJRSAPR-UHFFFAOYSA-N 0 3 411.458 2.335 20 0 HEADHN CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000786822525 1080844964 /nfs/dbraw/zinc/84/49/64/1080844964.db2.gz ZWPRNCOQNBBAHY-KRWDZBQOSA-N 0 3 416.518 2.168 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000769000043 1080895779 /nfs/dbraw/zinc/89/57/79/1080895779.db2.gz ALPOUEDIKSKTDS-QWHCGFSZSA-N 0 3 410.400 2.271 20 0 HEADHN C[C@H](N[C@@H](C)[C@H](O)c1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000787012587 1080929979 /nfs/dbraw/zinc/92/99/79/1080929979.db2.gz HJASAORUEGLYCF-YRVVQQKDSA-N 0 3 406.504 2.438 20 0 HEADHN COc1ccc(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cc1O ZINC000769192566 1080967307 /nfs/dbraw/zinc/96/73/07/1080967307.db2.gz NJHXQXOOADPYAB-INIZCTEOSA-N 0 3 407.511 2.254 20 0 HEADHN Cc1cccn2c(CN3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)cnc12 ZINC000769192624 1080967617 /nfs/dbraw/zinc/96/76/17/1080967617.db2.gz MTFVWHBEOGDGOM-KRWDZBQOSA-N 0 3 415.538 2.496 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2C(=O)OC(C)(C)C)CC1 ZINC000769214811 1081004581 /nfs/dbraw/zinc/00/45/81/1081004581.db2.gz VIRODMGVYFQGKR-LJQANCHMSA-N 0 3 417.550 2.259 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000787189286 1081055860 /nfs/dbraw/zinc/05/58/60/1081055860.db2.gz ONQZGUKLZUZWGG-CGTJXYLNSA-N 0 3 423.355 2.190 20 0 HEADHN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H](N3CCCC3)C2)cc1 ZINC000769372818 1081055957 /nfs/dbraw/zinc/05/59/57/1081055957.db2.gz ITUINLQLPNTMMB-KRWDZBQOSA-N 0 3 409.477 2.332 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2OCCN2CCOCC2)C1 ZINC000769383612 1081059244 /nfs/dbraw/zinc/05/92/44/1081059244.db2.gz KBJBAGIEFHZJAC-LJQANCHMSA-N 0 3 405.539 2.497 20 0 HEADHN CN(C)CCN(Cc1ccco1)C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769387618 1081060614 /nfs/dbraw/zinc/06/06/14/1081060614.db2.gz WWOQADNXTGMNMV-UHFFFAOYSA-N 0 3 423.460 2.429 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000769336464 1081061407 /nfs/dbraw/zinc/06/14/07/1081061407.db2.gz AQTCTKGLHMZGKP-UKRRQHHQSA-N 0 3 407.383 2.312 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000769423007 1081068827 /nfs/dbraw/zinc/06/88/27/1081068827.db2.gz ITVVUHOCTRTUPD-VBQJREDUSA-N 0 3 420.000 2.349 20 0 HEADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423998 1081069079 /nfs/dbraw/zinc/06/90/79/1081069079.db2.gz IKLMZYIHKQNKEI-MJGOQNOKSA-N 0 3 418.586 2.354 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000787225093 1081078311 /nfs/dbraw/zinc/07/83/11/1081078311.db2.gz AVNMPJMRABXPKM-DLBZAZTESA-N 0 3 410.559 2.281 20 0 HEADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000769516819 1081104941 /nfs/dbraw/zinc/10/49/41/1081104941.db2.gz JFEKGWZSYYIJNJ-MRXNPFEDSA-N 0 3 420.554 2.356 20 0 HEADHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599808 1081137617 /nfs/dbraw/zinc/13/76/17/1081137617.db2.gz OHAZSRBIZAOTNL-NVXWUHKLSA-N 0 3 411.543 2.459 20 0 HEADHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599808 1081137621 /nfs/dbraw/zinc/13/76/21/1081137621.db2.gz OHAZSRBIZAOTNL-NVXWUHKLSA-N 0 3 411.543 2.459 20 0 HEADHN CCN(CCO)CCNC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000769635048 1081152918 /nfs/dbraw/zinc/15/29/18/1081152918.db2.gz APJUTTWKTHMDRG-UHFFFAOYSA-N 0 3 419.566 2.386 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)c1 ZINC001164654522 719322487 /nfs/dbraw/zinc/32/24/87/719322487.db2.gz QXXBWCQINLIGGQ-JOCHJYFZSA-N 0 3 411.481 2.324 20 0 HEADHN c1ccc(OCc2nnc3n2CCN(c2ccc(CN4CCCC4)cn2)CC3)nc1 ZINC001164683608 719687435 /nfs/dbraw/zinc/68/74/35/719687435.db2.gz GKIXGIDOTBZXDF-UHFFFAOYSA-N 0 3 405.506 2.306 20 0 HEADHN COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164815995 720156398 /nfs/dbraw/zinc/15/63/98/720156398.db2.gz JPSOTIMZDSMGSD-HNAYVOBHSA-N 0 3 413.971 2.323 20 0 HEADHN COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)CC1 ZINC001164722098 720405254 /nfs/dbraw/zinc/40/52/54/720405254.db2.gz BWWPDEHTHITKEY-UXHICEINSA-N 0 3 422.533 2.114 20 0 HEADHN CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164734759 720422010 /nfs/dbraw/zinc/42/20/10/720422010.db2.gz UEHJROMYPDVECX-ROUUACIJSA-N 0 3 406.490 2.393 20 0 HEADHN CCOC(=O)N1CCc2nnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164727687 720442253 /nfs/dbraw/zinc/44/22/53/720442253.db2.gz DWOKODQGAPEGPI-WOJBJXKFSA-N 0 3 408.506 2.239 20 0 HEADHN COCc1cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccccc2)n1 ZINC001164740884 720624002 /nfs/dbraw/zinc/62/40/02/720624002.db2.gz JPBHZYPKAOTGTH-PMACEKPBSA-N 0 3 418.501 2.422 20 0 HEADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164738323 720664837 /nfs/dbraw/zinc/66/48/37/720664837.db2.gz IYLHEPKYFGNXGU-CABCVRRESA-N 0 3 417.897 2.352 20 0 HEADHN COc1cc2nc(C)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164738977 720699861 /nfs/dbraw/zinc/69/98/61/720699861.db2.gz LSXGTBYNENFALZ-HOTGVXAUSA-N 0 3 422.489 2.087 20 0 HEADHN COc1cc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164737840 720707232 /nfs/dbraw/zinc/70/72/32/720707232.db2.gz HIRFFDCQKKBRDO-IAGOWNOFSA-N 0 3 407.474 2.384 20 0 HEADHN CCOC(=O)c1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccc1Cl ZINC001164745357 720741463 /nfs/dbraw/zinc/74/14/63/720741463.db2.gz VHTVUVWROXGSKD-KBPBESRZSA-N 0 3 403.870 2.044 20 0 HEADHN c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCCC3)nc2c1 ZINC001164745872 720754985 /nfs/dbraw/zinc/75/49/85/720754985.db2.gz WBTTWPRRFLAEFD-QZTJIDSGSA-N 0 3 417.517 2.362 20 0 HEADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)C1 ZINC001164744173 720757404 /nfs/dbraw/zinc/75/74/04/720757404.db2.gz RJPCPALNXHMETL-HOJAQTOUSA-N 0 3 422.533 2.086 20 0 HEADHN COC(=O)c1cc2ccccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164739906 720770570 /nfs/dbraw/zinc/77/05/70/720770570.db2.gz JPOHETLICUOERJ-DLBZAZTESA-N 0 3 405.458 2.153 20 0 HEADHN COc1cc2cnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)cc2cc1OC ZINC001164745324 720774046 /nfs/dbraw/zinc/77/40/46/720774046.db2.gz VCZPXTUTGXHLLH-ZWKOTPCHSA-N 0 3 407.474 2.384 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164762299 721066535 /nfs/dbraw/zinc/06/65/35/721066535.db2.gz DVDRCBCYJCSTAV-WOIUINJBSA-N 0 3 409.534 2.182 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@@H]12 ZINC001164773782 721067887 /nfs/dbraw/zinc/06/78/87/721067887.db2.gz YKJBSNISTNJFAC-DYXWJJEUSA-N 0 3 409.534 2.182 20 0 HEADHN COCc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(SC)n1 ZINC001164867242 721084391 /nfs/dbraw/zinc/08/43/91/721084391.db2.gz XLMBQHNHCVXFOS-MSOLQXFVSA-N 0 3 401.536 2.220 20 0 HEADHN COC(=O)c1ccc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164763688 721088875 /nfs/dbraw/zinc/08/88/75/721088875.db2.gz GRCXNJFVFQDVDC-QZTJIDSGSA-N 0 3 406.490 2.108 20 0 HEADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865508 721090502 /nfs/dbraw/zinc/09/05/02/721090502.db2.gz MDLUCHZTWWHELF-VQTJNVASSA-N 0 3 409.534 2.485 20 0 HEADHN CCOC(=O)c1cc2ccnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2[nH]1 ZINC001164765573 721111207 /nfs/dbraw/zinc/11/12/07/721111207.db2.gz JIRSINMEOIGONA-QZTJIDSGSA-N 0 3 408.506 2.431 20 0 HEADHN COc1cc2ncc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2cc1OC ZINC001164771769 721120032 /nfs/dbraw/zinc/12/00/32/721120032.db2.gz SZULIGDKZCXKSW-SJORKVTESA-N 0 3 408.506 2.339 20 0 HEADHN Cn1cccc1C(=O)NCc1cn2c(n1)CN(c1ncccc1CN1CCCC1)CC2 ZINC001164866502 721200258 /nfs/dbraw/zinc/20/02/58/721200258.db2.gz BPEWNAXMIZUJAO-UHFFFAOYSA-N 0 3 419.533 2.163 20 0 HEADHN CN(Cc1ccc(N2CC[C@]3(C2)C[C@H](NC(=O)c2cnccn2)CCO3)nc1)C1CC1 ZINC001164871137 721216357 /nfs/dbraw/zinc/21/63/57/721216357.db2.gz IERYMLRATJEGCH-WZONZLPQSA-N 0 3 422.533 2.024 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@H]2OCC[C@@H]21 ZINC001164878570 721305568 /nfs/dbraw/zinc/30/55/68/721305568.db2.gz LHJWSOFALQXXFT-YPAWHYETSA-N 0 3 421.545 2.230 20 0 HEADHN Cc1nc2cnc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)nc2[nH]1 ZINC001164787089 721360749 /nfs/dbraw/zinc/36/07/49/721360749.db2.gz YWRQEEBAYURSHP-NRFANRHFSA-N 0 3 411.510 2.337 20 0 HEADHN CN(C)Cc1ccnc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)c1 ZINC001164882405 721361874 /nfs/dbraw/zinc/36/18/74/721361874.db2.gz IVXMLQJCUTYWOW-UHFFFAOYSA-N 0 3 421.549 2.407 20 0 HEADHN COC(=O)c1c(C)cc(C)nc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164887707 721408420 /nfs/dbraw/zinc/40/84/20/721408420.db2.gz MMWKNZKGMLHDJX-CVDCTZTESA-N 0 3 416.566 2.250 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164890068 721422116 /nfs/dbraw/zinc/42/21/16/721422116.db2.gz SBSDKRZGUNQHTB-REWPJTCUSA-N 0 3 414.598 2.232 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccnc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164888781 721432508 /nfs/dbraw/zinc/43/25/08/721432508.db2.gz AVVWDOZLRKJZHD-NZQKXSOJSA-N 0 3 414.598 2.232 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)c1 ZINC001164896968 721479467 /nfs/dbraw/zinc/47/94/67/721479467.db2.gz YTEQIALCTCZXKS-NSHGMRRFSA-N 0 3 404.530 2.193 20 0 HEADHN COC(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1OC ZINC001164899181 721517189 /nfs/dbraw/zinc/51/71/89/721517189.db2.gz KQZKRJJVTYGNMD-WBVHZDCISA-N 0 3 401.438 2.358 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCNC3)[C@@H]2CCCO[C@H]12 ZINC001164803675 721536067 /nfs/dbraw/zinc/53/60/67/721536067.db2.gz IRUXBHUJYAKYCB-QRVBRYPASA-N 0 3 414.941 2.039 20 0 HEADHN COC(=O)c1nc(Cl)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909812 721536534 /nfs/dbraw/zinc/53/65/34/721536534.db2.gz RXIAGBBHEYYUSZ-ZFWWWQNUSA-N 0 3 406.845 2.398 20 0 HEADHN Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)nc4c3CCNC4)C[C@H]21 ZINC001164944402 721953895 /nfs/dbraw/zinc/95/38/95/721953895.db2.gz JXMMXUCOTQFGNQ-RTBURBONSA-N 0 3 403.914 2.075 20 0 HEADHN O=C([C@@H]1COc2ccccc2O1)N1CCN(c2ncccc2CN2CCCC2)CC1 ZINC001165050224 721981686 /nfs/dbraw/zinc/98/16/86/721981686.db2.gz REOFXILFSRYXQB-NRFANRHFSA-N 0 3 408.502 2.166 20 0 HEADHN Cn1c(=O)ccc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc21 ZINC001164962173 722056013 /nfs/dbraw/zinc/05/60/13/722056013.db2.gz AHYFJJQCXUSCAD-UHFFFAOYSA-N 0 3 419.529 2.448 20 0 HEADHN CC(C)C(=O)N1CCN(c2ccc(CN3CCCC3)cn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164970468 722088366 /nfs/dbraw/zinc/08/83/66/722088366.db2.gz FEKSYWSZZWANMC-QHCPKHFHSA-N 0 3 413.566 2.021 20 0 HEADHN COc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1NC(C)C ZINC001164980680 722099118 /nfs/dbraw/zinc/09/91/18/722099118.db2.gz JXHDWFHVSZHZLP-UYAOXDASSA-N 0 3 412.538 2.428 20 0 HEADHN Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C(N)=O ZINC001164985158 722102188 /nfs/dbraw/zinc/10/21/88/722102188.db2.gz VCGDMYBUDGHHQU-SJORKVTESA-N 0 3 415.925 2.265 20 0 HEADHN F[C@H](Oc1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971062 722152781 /nfs/dbraw/zinc/15/27/81/722152781.db2.gz AGQTYJPGPUHWSX-FCEWJHQRSA-N 0 3 407.877 2.380 20 0 HEADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)nc(C)n4)CC[C@H]32)cs1 ZINC001164991607 722176020 /nfs/dbraw/zinc/17/60/20/722176020.db2.gz YLHKJKCSONQZPT-QZTJIDSGSA-N 0 3 402.568 2.486 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)CC[C@@H]2CCCCN2C)c(=O)[nH]c1=O ZINC000769659893 1078497903 /nfs/dbraw/zinc/49/79/03/1078497903.db2.gz JHPWYSBPWVEPKM-INIZCTEOSA-N 0 3 414.572 2.024 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H]1CS(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000769755981 1078541922 /nfs/dbraw/zinc/54/19/22/1078541922.db2.gz OQRVBGAPCCVJJU-VQTJNVASSA-N 0 3 421.563 2.191 20 0 HEADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000769895784 1078617236 /nfs/dbraw/zinc/61/72/36/1078617236.db2.gz GXCZFUKKLNPVAM-INIZCTEOSA-N 0 3 417.959 2.304 20 0 HEADHN Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000769967422 1078657662 /nfs/dbraw/zinc/65/76/62/1078657662.db2.gz BSDCBOQRSAIGTO-LEWJYISDSA-N 0 3 411.550 2.324 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3cc(F)cc(OC)c3)cc2)CC1 ZINC000770061783 1078687547 /nfs/dbraw/zinc/68/75/47/1078687547.db2.gz GDXVVLYNPDVKIB-UHFFFAOYSA-N 0 3 414.481 2.231 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)[C@H](c1ccccc1)N(C)C ZINC000770044076 1078702551 /nfs/dbraw/zinc/70/25/51/1078702551.db2.gz COEAMJRWCMVLSJ-YBVWCTEOSA-N 0 3 408.502 2.261 20 0 HEADHN C[C@H]1CCN(CCNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942879 1078707588 /nfs/dbraw/zinc/70/75/88/1078707588.db2.gz UNLZRCNYCHPUEG-ICSRJNTNSA-N 0 3 423.579 2.296 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)n(C)c1 ZINC000770050323 1078704905 /nfs/dbraw/zinc/70/49/05/1078704905.db2.gz QESCQSWTVHCVIA-OXQOHEQNSA-N 0 3 420.579 2.477 20 0 HEADHN COC(=O)c1c(NC(=O)C(=O)NCCN2CCC[C@H]2C)sc2c1CCCCC2 ZINC000746040981 1078748057 /nfs/dbraw/zinc/74/80/57/1078748057.db2.gz IYLPFIVUPRFWHR-CYBMUJFWSA-N 0 3 407.536 2.343 20 0 HEADHN CCCc1ccc(N2C[C@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2=O)cc1 ZINC000770174110 1078770340 /nfs/dbraw/zinc/77/03/40/1078770340.db2.gz RYEISCSNTBURSJ-UYAOXDASSA-N 0 3 400.567 2.134 20 0 HEADHN O=C(CCN1CCN(c2ccccc2)CC1)NCC(=O)Nc1ccc(F)c(F)c1 ZINC000746097004 1078778876 /nfs/dbraw/zinc/77/88/76/1078778876.db2.gz KWGFBAVHYMTFCB-UHFFFAOYSA-N 0 3 402.445 2.232 20 0 HEADHN CC(C)CNC(=O)C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000746111237 1078791409 /nfs/dbraw/zinc/79/14/09/1078791409.db2.gz RDSJDEIGAQMVMV-UHFFFAOYSA-N 0 3 400.567 2.210 20 0 HEADHN CC(C)N(CCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(C)C ZINC000746101792 1078786589 /nfs/dbraw/zinc/78/65/89/1078786589.db2.gz DOIKCOLQESWMNA-UHFFFAOYSA-N 0 3 412.487 2.031 20 0 HEADHN Cc1cc(C(=O)N(CCc2ccccc2)CCN(C)C)cc(S(N)(=O)=O)c1C ZINC000746134085 1078802045 /nfs/dbraw/zinc/80/20/45/1078802045.db2.gz LCJFJERMDIICOI-UHFFFAOYSA-N 0 3 403.548 2.197 20 0 HEADHN CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)cc2s1 ZINC000746181376 1078811536 /nfs/dbraw/zinc/81/15/36/1078811536.db2.gz YLQLXVADCQGXFX-LBPRGKRZSA-N 0 3 419.507 2.213 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CC1=O ZINC000746164913 1078813234 /nfs/dbraw/zinc/81/32/34/1078813234.db2.gz KFYXTTIGDXUPSR-FUHWJXTLSA-N 0 3 422.367 2.393 20 0 HEADHN Cc1n[nH]cc1CN1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380102 1078834256 /nfs/dbraw/zinc/83/42/56/1078834256.db2.gz LKUCJDJJBVSSHB-FUHWJXTLSA-N 0 3 405.543 2.446 20 0 HEADHN C/C(=C\C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1OC(F)F ZINC000766341070 1078853145 /nfs/dbraw/zinc/85/31/45/1078853145.db2.gz RBECLVDEUCJYDB-ZWKQNVPVSA-N 0 3 407.461 2.456 20 0 HEADHN O=C(Nc1ccnn1CC1CC1)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000746390255 1078892298 /nfs/dbraw/zinc/89/22/98/1078892298.db2.gz AVIDTKZJMZKDHA-UHFFFAOYSA-N 0 3 409.534 2.399 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000770590678 1078899490 /nfs/dbraw/zinc/89/94/90/1078899490.db2.gz OEFANWSNOUSCSX-PBHICJAKSA-N 0 3 402.461 2.064 20 0 HEADHN Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000766350585 1078901653 /nfs/dbraw/zinc/90/16/53/1078901653.db2.gz ZSDPJYBPKWSSKT-UHFFFAOYSA-N 0 3 415.925 2.046 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746407244 1078905378 /nfs/dbraw/zinc/90/53/78/1078905378.db2.gz PPNRDRMIUXCRHO-VXGBXAGGSA-N 0 3 416.703 2.020 20 0 HEADHN COC(=O)/C=C1/SCC(=O)N1CCCNC(C)(C)c1nc2ccccc2n1C ZINC000770663471 1078923763 /nfs/dbraw/zinc/92/37/63/1078923763.db2.gz FWVNVFZYMFMPSR-SFQUDFHCSA-N 0 3 402.520 2.378 20 0 HEADHN C[C@H]1CN(Cn2nc(N3CCOCC3)n(C)c2=S)[C@@H](C)CN1Cc1ccccc1 ZINC000766373261 1078940940 /nfs/dbraw/zinc/94/09/40/1078940940.db2.gz FQKZJYGUUPSXKW-ROUUACIJSA-N 0 3 416.595 2.340 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)CCN1CCOC ZINC000766378043 1078945364 /nfs/dbraw/zinc/94/53/64/1078945364.db2.gz VPDAMPZIVPQWDP-XMSQKQJNSA-N 0 3 402.539 2.152 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(Cl)nc3)c2)CC1 ZINC000770718502 1078946582 /nfs/dbraw/zinc/94/65/82/1078946582.db2.gz ATNXTUCMPPXOJU-UHFFFAOYSA-N 0 3 401.898 2.132 20 0 HEADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(-n2ccnn2)ccc1F ZINC001168791442 1078992992 /nfs/dbraw/zinc/99/29/92/1078992992.db2.gz KKDFEWLLQDJSKK-QFIPXVFZSA-N 0 3 409.465 2.115 20 0 HEADHN COC(=O)Cc1sccc1C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001168792725 1078998506 /nfs/dbraw/zinc/99/85/06/1078998506.db2.gz VXTRFCLPMZRIEK-NRFANRHFSA-N 0 3 402.516 2.173 20 0 HEADHN NC(=O)c1cccc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC000766486149 1079035862 /nfs/dbraw/zinc/03/58/62/1079035862.db2.gz HVWNPKVPRYBDPH-UHFFFAOYSA-N 0 3 402.394 2.248 20 0 HEADHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000770849226 1079037466 /nfs/dbraw/zinc/03/74/66/1079037466.db2.gz HFDLEUPJRONOHS-FYYLOGMGSA-N 0 3 411.546 2.190 20 0 HEADHN C[C@H](C(=O)N1CCN(C)C(C)(C)CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001168798646 1079039526 /nfs/dbraw/zinc/03/95/26/1079039526.db2.gz CFAIFHRMYRVQHH-GFCCVEGCSA-N 0 3 422.323 2.376 20 0 HEADHN COC(=O)[C@H](CN[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168818901 1079051743 /nfs/dbraw/zinc/05/17/43/1079051743.db2.gz UFGXHTORNHAHTI-MCIONIFRSA-N 0 3 401.504 2.040 20 0 HEADHN C[C@@H]1C[C@H](N2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168854578 1079053635 /nfs/dbraw/zinc/05/36/35/1079053635.db2.gz HKOHFDUZWYWWPM-WRNCNIFXSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@@H]1C[C@@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168861132 1079056106 /nfs/dbraw/zinc/05/61/06/1079056106.db2.gz WTGVLUZJINNDIO-GYFISPQKSA-N 0 3 407.555 2.390 20 0 HEADHN COCCO[C@H]1CCN([C@@H]2C[C@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1Cc1cnn(C)c1 ZINC001168870157 1079059397 /nfs/dbraw/zinc/05/93/97/1079059397.db2.gz ZVCFTEXHHRSLCC-RNQOJCNYSA-N 0 3 422.570 2.466 20 0 HEADHN COc1ccc(CN2CC[C@H](N[C@@H]3COC[C@@H]3NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC001168879855 1079067484 /nfs/dbraw/zinc/06/74/84/1079067484.db2.gz ACGKOEUKWFKQPO-UHOSZYNNSA-N 0 3 419.522 2.068 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000766601960 1079149622 /nfs/dbraw/zinc/14/96/22/1079149622.db2.gz KKKNWYHGVVGREJ-OAQYLSRUSA-N 0 3 420.513 2.057 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@]3(CC(=O)OC)CCCOC3)cc2)CC1 ZINC000771097057 1079150472 /nfs/dbraw/zinc/15/04/72/1079150472.db2.gz NJFOXSLAQOLEPD-NRFANRHFSA-N 0 3 404.511 2.062 20 0 HEADHN CN(C[C@@](C)(O)CN1CC[C@@H](N2CC(=O)Nc3ccccc32)C1)C(=O)OC(C)(C)C ZINC001169165878 1079174318 /nfs/dbraw/zinc/17/43/18/1079174318.db2.gz ZTRKCGFKLLOGKU-OPAMFIHVSA-N 0 3 418.538 2.137 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCC(F)(F)[C@@H](F)C1 ZINC001169194048 1079181478 /nfs/dbraw/zinc/18/14/78/1079181478.db2.gz YDDYBTHLMQKCMA-KGLIPLIRSA-N 0 3 415.460 2.062 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)C(C)C ZINC000771217154 1079232195 /nfs/dbraw/zinc/23/21/95/1079232195.db2.gz XKLFURWYKXNDOT-SFHVURJKSA-N 0 3 414.550 2.486 20 0 HEADHN CCOC(=O)c1cnc2c(I)cccc2c1-n1nncc1CN ZINC001169310598 1079232373 /nfs/dbraw/zinc/23/23/73/1079232373.db2.gz JGXDKHFKQNEZTQ-UHFFFAOYSA-N 0 3 423.214 2.056 20 0 HEADHN CC(=O)N1CCOC[C@]2(CN(C3CCC(OC(=O)c4ccccc4)CC3)CCO2)C1 ZINC001169297295 1079227796 /nfs/dbraw/zinc/22/77/96/1079227796.db2.gz INQGOMYCYLTCEZ-YDPRHXJPSA-N 0 3 416.518 2.104 20 0 HEADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(SC(F)F)nc1 ZINC000771215475 1079231366 /nfs/dbraw/zinc/23/13/66/1079231366.db2.gz KCBOJYIGAVPGPJ-UHFFFAOYSA-N 0 3 409.462 2.320 20 0 HEADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2CN(C)C)C1=O ZINC000771262867 1079252438 /nfs/dbraw/zinc/25/24/38/1079252438.db2.gz GGNSRKFABKGAJM-JOCHJYFZSA-N 0 3 410.474 2.163 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000771271845 1079259779 /nfs/dbraw/zinc/25/97/79/1079259779.db2.gz JQIKMBGVHQSBEU-RBBKRZOGSA-N 0 3 412.534 2.435 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@H]3CN(C(=O)c4ccsc4)CCO[C@@H]3C2)CO1 ZINC001169392702 1079262845 /nfs/dbraw/zinc/26/28/45/1079262845.db2.gz BACYUPCYESTUNG-XGXHKWSGSA-N 0 3 422.547 2.022 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392779 1079263912 /nfs/dbraw/zinc/26/39/12/1079263912.db2.gz QRUGOUYMEIXNDV-VBSBHUPXSA-N 0 3 423.579 2.085 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)CO1 ZINC001169397948 1079269915 /nfs/dbraw/zinc/26/99/15/1079269915.db2.gz OPQATSVFLDEUCV-UFYCRDLUSA-N 0 3 400.519 2.435 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N(CCOC)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169415939 1079275813 /nfs/dbraw/zinc/27/58/13/1079275813.db2.gz FVROOROMYRPTOB-IKGGRYGDSA-N 0 3 400.516 2.055 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1NC[C@H](O)C(F)(F)F ZINC001169455150 1079298564 /nfs/dbraw/zinc/29/85/64/1079298564.db2.gz ZNOGIXCJVBIKDE-DOMZBBRYSA-N 0 3 418.460 2.216 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1NC[C@@H](O)C(F)(F)F ZINC001169455152 1079298623 /nfs/dbraw/zinc/29/86/23/1079298623.db2.gz ZNOGIXCJVBIKDE-SWLSCSKDSA-N 0 3 418.460 2.216 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@@H]3C[C@@H]4CCC[C@H]4O3)C2)C(=O)C1 ZINC001169475565 1079313292 /nfs/dbraw/zinc/31/32/92/1079313292.db2.gz ZUNNKIVSBCDKEI-ZSYWTGECSA-N 0 3 407.555 2.488 20 0 HEADHN CC(=O)N1CCC[C@H](N[C@H](C)C(=O)N[C@H](C)C(=O)Nc2ccc3ccccc3c2)C1 ZINC001169598217 1079340089 /nfs/dbraw/zinc/34/00/89/1079340089.db2.gz VQKFWZLSVNJVFJ-ZOCZFRKYSA-N 0 3 410.518 2.272 20 0 HEADHN Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)NCC2(N3CCSCC3)CCCC2)cn1 ZINC000766761629 1079345221 /nfs/dbraw/zinc/34/52/21/1079345221.db2.gz OITCEFBMAUPBBS-OALUTQOASA-N 0 3 421.611 2.379 20 0 HEADHN CCOC(=O)N1CCC[C@H](n2nc(C(=O)NC3CCCC3)c3c2CCNC3)CC1 ZINC001169692257 1079373472 /nfs/dbraw/zinc/37/34/72/1079373472.db2.gz JKLDSYPSYUEZLW-INIZCTEOSA-N 0 3 403.527 2.385 20 0 HEADHN COC(=O)CCN1CCC[C@H](N2CC[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C1=O ZINC001169705427 1079380938 /nfs/dbraw/zinc/38/09/38/1079380938.db2.gz SQEKHUVFCGZLOO-JTSKRJEESA-N 0 3 423.554 2.264 20 0 HEADHN O=C(N[C@@H]1CN([C@H]2CCCN(C(=O)c3ccccc3)C2)C[C@@H]2CCCO[C@H]12)C1CC1 ZINC001169773082 1079408629 /nfs/dbraw/zinc/40/86/29/1079408629.db2.gz UTZXNAVFUDVPDI-KJJMTIBFSA-N 0 3 411.546 2.297 20 0 HEADHN CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C ZINC000771655949 1079426417 /nfs/dbraw/zinc/42/64/17/1079426417.db2.gz TVHHMDQXDSDENC-HTAPYJJXSA-N 0 3 424.586 2.225 20 0 HEADHN Cc1cc(C)c(N2C[C@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)CC2=O)c(C)c1 ZINC000771659766 1079430653 /nfs/dbraw/zinc/43/06/53/1079430653.db2.gz DTRPHSLOEOPNJW-HXUWFJFHSA-N 0 3 414.594 2.497 20 0 HEADHN Cc1cc(C)c(N2C[C@@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)CC2=O)c(C)c1 ZINC000771659765 1079430720 /nfs/dbraw/zinc/43/07/20/1079430720.db2.gz DTRPHSLOEOPNJW-FQEVSTJZSA-N 0 3 414.594 2.497 20 0 HEADHN Cc1ccc(N2C[C@@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)CC2=O)cc1F ZINC000771661775 1079432359 /nfs/dbraw/zinc/43/23/59/1079432359.db2.gz UAWXGXJUBSVJRE-KRWDZBQOSA-N 0 3 404.530 2.019 20 0 HEADHN Cc1csc([C@](O)(CC(=O)NC(C)(C)CCN2CCN(C)CC2)C(F)(F)F)n1 ZINC000771664241 1079433610 /nfs/dbraw/zinc/43/36/10/1079433610.db2.gz VZXQZMAEOQSPLI-QGZVFWFLSA-N 0 3 422.517 2.124 20 0 HEADHN CS(=O)(=O)C1CCC(N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)CC1 ZINC001169884522 1079458434 /nfs/dbraw/zinc/45/84/34/1079458434.db2.gz GGGCACDHIFUQBZ-AEJJIKPWSA-N 0 3 420.531 2.200 20 0 HEADHN O=C(C[N@@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864771 1079462283 /nfs/dbraw/zinc/46/22/83/1079462283.db2.gz UJMHUAVPZZIJPY-ZDUSSCGKSA-N 0 3 414.384 2.212 20 0 HEADHN O=C(C[N@H+]1CCC[C@H](c2n[n-]c(=O)o2)C1)NCc1cccc(OCC(F)(F)F)c1 ZINC001169864771 1079462292 /nfs/dbraw/zinc/46/22/92/1079462292.db2.gz UJMHUAVPZZIJPY-ZDUSSCGKSA-N 0 3 414.384 2.212 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755524 1079484876 /nfs/dbraw/zinc/48/48/76/1079484876.db2.gz FOUARNOBRXPWEV-HKUYNNGSSA-N 0 3 404.555 2.252 20 0 HEADHN CCN(C(=O)Nc1ccn(CCS(C)(=O)=O)n1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000771753824 1079485016 /nfs/dbraw/zinc/48/50/16/1079485016.db2.gz MNGRMYMCUMSBTL-SFHVURJKSA-N 0 3 419.551 2.056 20 0 HEADHN Cc1nc(CN2CCOC[C@@]3(CN([C@@H]4CCCC5(C4)OCCO5)CCO3)C2)cs1 ZINC001169948954 1079490255 /nfs/dbraw/zinc/49/02/55/1079490255.db2.gz LMHBDDDBVQWMOQ-UXHICEINSA-N 0 3 423.579 2.040 20 0 HEADHN CCN1CCN(CCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737851482 1075932074 /nfs/dbraw/zinc/93/20/74/1075932074.db2.gz VTAHAUKAGSMCMH-JOCHJYFZSA-N 0 3 424.545 2.408 20 0 HEADHN Cc1nc(CN2CCO[C@H]3CN([C@H]4CCCC5(C4)OCCO5)CC[C@H]3C2=O)cs1 ZINC001169951742 1079492115 /nfs/dbraw/zinc/49/21/15/1079492115.db2.gz YOHKHEDAJIMVCI-OTWHNJEPSA-N 0 3 421.563 2.187 20 0 HEADHN CCN(CC)C(=O)c1cccnc1N1CCN([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169956933 1079493376 /nfs/dbraw/zinc/49/33/76/1079493376.db2.gz AZLWWXZSURYXEP-SFHVURJKSA-N 0 3 402.539 2.371 20 0 HEADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2ccnc2)C1 ZINC000738147951 1075968900 /nfs/dbraw/zinc/96/89/00/1075968900.db2.gz HEWOHIXYDOOOMP-NFBKMPQASA-N 0 3 422.533 2.064 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O ZINC000738285261 1075979342 /nfs/dbraw/zinc/97/93/42/1075979342.db2.gz IYLGRYGVGWKVDV-LPHOPBHVSA-N 0 3 423.355 2.446 20 0 HEADHN Cc1ccc(OC[C@@H](O)CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000738326850 1075980391 /nfs/dbraw/zinc/98/03/91/1075980391.db2.gz POMLWHOKCSQKRD-IBGZPJMESA-N 0 3 407.555 2.219 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)COc1ccccc1F ZINC000738880482 1076021356 /nfs/dbraw/zinc/02/13/56/1076021356.db2.gz AWIDVCVXDXCJGM-KRWDZBQOSA-N 0 3 411.518 2.050 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCC(C)CC1 ZINC000739083309 1076033150 /nfs/dbraw/zinc/03/31/50/1076033150.db2.gz XLVCBNJNWCLSPH-ZWKOTPCHSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000739084116 1076041427 /nfs/dbraw/zinc/04/14/27/1076041427.db2.gz YVGYGMSOSKLLNX-WIYYLYMNSA-N 0 3 424.545 2.139 20 0 HEADHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@@H]1C ZINC000766250695 1076150779 /nfs/dbraw/zinc/15/07/79/1076150779.db2.gz AKLFUIGKWSHBRJ-IRXDYDNUSA-N 0 3 404.530 2.091 20 0 HEADHN O=C(CNC(=O)OCC(F)(F)F)NC1CCN(CCOc2ccc(F)cc2)CC1 ZINC000740710455 1076214088 /nfs/dbraw/zinc/21/40/88/1076214088.db2.gz HAFBLYDPPQYTIZ-UHFFFAOYSA-N 0 3 421.391 2.074 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3ccc(C)o3)cc2)CC1 ZINC000741269388 1076438554 /nfs/dbraw/zinc/43/85/54/1076438554.db2.gz JONCKKSBYRYMLJ-FQEVSTJZSA-N 0 3 400.523 2.258 20 0 HEADHN Cc1ccc([C@@H](O)CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000741272398 1076439554 /nfs/dbraw/zinc/43/95/54/1076439554.db2.gz ZCSRRHHLDIPVNH-UXHICEINSA-N 0 3 400.523 2.299 20 0 HEADHN COC(=O)c1cc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000741394364 1076509724 /nfs/dbraw/zinc/50/97/24/1076509724.db2.gz XGWQFEVEDHUBIN-OAQYLSRUSA-N 0 3 401.438 2.371 20 0 HEADHN CCn1c(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)nc2ccccc21 ZINC000741406757 1076512445 /nfs/dbraw/zinc/51/24/45/1076512445.db2.gz YVRKYDAAIKYSCI-HSZRJFAPSA-N 0 3 407.518 2.492 20 0 HEADHN O=C(NCc1nc(-c2ccccc2)n[nH]1)N1CCN(CCOc2ccccc2)CC1 ZINC000741417251 1076515709 /nfs/dbraw/zinc/51/57/09/1076515709.db2.gz YDHMYXOAHDBNSY-UHFFFAOYSA-N 0 3 406.490 2.378 20 0 HEADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)Cc1ccccc1 ZINC000766280008 1076672166 /nfs/dbraw/zinc/67/21/66/1076672166.db2.gz QPYZDLNJDDBVHS-OAHLLOKOSA-N 0 3 405.296 2.072 20 0 HEADHN CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000742134917 1076750204 /nfs/dbraw/zinc/75/02/04/1076750204.db2.gz AVNZVPQQSZGAQE-AWEZNQCLSA-N 0 3 415.506 2.352 20 0 HEADHN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000742134917 1076750214 /nfs/dbraw/zinc/75/02/14/1076750214.db2.gz AVNZVPQQSZGAQE-AWEZNQCLSA-N 0 3 415.506 2.352 20 0 HEADHN CCCn1c2nn(CN3CC[C@H](N4CC=CC4)C3)c(=S)n2c2ccccc2c1=O ZINC000742163082 1076773335 /nfs/dbraw/zinc/77/33/35/1076773335.db2.gz PAKGPGVQQJRDED-INIZCTEOSA-N 0 3 410.547 2.494 20 0 HEADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742303850 1076812761 /nfs/dbraw/zinc/81/27/61/1076812761.db2.gz BLDKGKGIQAXJCX-HOJAQTOUSA-N 0 3 423.579 2.389 20 0 HEADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1Br ZINC000742305171 1076813406 /nfs/dbraw/zinc/81/34/06/1076813406.db2.gz PDFKPHAWQGUGKV-ABAIWWIYSA-N 0 3 419.341 2.196 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 ZINC000743238743 1077011866 /nfs/dbraw/zinc/01/18/66/1077011866.db2.gz DVBSKVDUKHWDRC-MRXNPFEDSA-N 0 3 403.527 2.347 20 0 HEADHN Cc1c(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cccc1N1CCOC1=O ZINC000743244739 1077013189 /nfs/dbraw/zinc/01/31/89/1077013189.db2.gz LNYXUVNXVRVIHI-GOSISDBHSA-N 0 3 417.510 2.016 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)cc2)CC1 ZINC000743293579 1077025762 /nfs/dbraw/zinc/02/57/62/1077025762.db2.gz RKUPVIGTLBFWRA-IBGZPJMESA-N 0 3 420.513 2.286 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)C1 ZINC000743377279 1077045179 /nfs/dbraw/zinc/04/51/79/1077045179.db2.gz PQBRWARJBIYYDW-KRWDZBQOSA-N 0 3 412.515 2.203 20 0 HEADHN C[C@@](O)(CNC(=O)NCCCCN1CCN(c2ccccc2)CC1)c1ccco1 ZINC000743557881 1077068590 /nfs/dbraw/zinc/06/85/90/1077068590.db2.gz PMPJSIWLUHAQQX-JOCHJYFZSA-N 0 3 400.523 2.389 20 0 HEADHN CCCCCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000743876202 1077158895 /nfs/dbraw/zinc/15/88/95/1077158895.db2.gz WCPKFLINVPUEKV-LJQANCHMSA-N 0 3 402.539 2.488 20 0 HEADHN Cc1[nH]nc(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)c1Br ZINC000743887157 1077179949 /nfs/dbraw/zinc/17/99/49/1077179949.db2.gz RGIFHAFCAVXDEG-UHFFFAOYSA-N 0 3 413.238 2.207 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000743914339 1077192564 /nfs/dbraw/zinc/19/25/64/1077192564.db2.gz NTPVBCDVRFXABK-VXKWHMMOSA-N 0 3 423.513 2.321 20 0 HEADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743896181 1077208005 /nfs/dbraw/zinc/20/80/05/1077208005.db2.gz BDTIBMUYVKJLAD-IRXDYDNUSA-N 0 3 404.580 2.415 20 0 HEADHN CCCOC(=O)c1ccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000743925467 1077249240 /nfs/dbraw/zinc/24/92/40/1077249240.db2.gz ZJDUTLYAINAPLW-UHFFFAOYSA-N 0 3 423.513 2.407 20 0 HEADHN COC(=O)Nc1ccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000743925148 1077249645 /nfs/dbraw/zinc/24/96/45/1077249645.db2.gz VUOCWQITJBTIKJ-UHFFFAOYSA-N 0 3 410.474 2.019 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)C1 ZINC000743972318 1077275683 /nfs/dbraw/zinc/27/56/83/1077275683.db2.gz MNYZNSSHDKDZSS-FQEVSTJZSA-N 0 3 422.485 2.315 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000743978712 1077291558 /nfs/dbraw/zinc/29/15/58/1077291558.db2.gz NIZSQMAQWWVKDD-NSHDSACASA-N 0 3 411.384 2.294 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OC(F)F)cc1OC(F)F ZINC000743979591 1077292319 /nfs/dbraw/zinc/29/23/19/1077292319.db2.gz UTXYIASIXZTZHT-SNVBAGLBSA-N 0 3 407.364 2.428 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1I ZINC000743982346 1077294613 /nfs/dbraw/zinc/29/46/13/1077294613.db2.gz WOZUHYXFDUDBPC-GFCCVEGCSA-N 0 3 415.275 2.139 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 ZINC000743983350 1077295745 /nfs/dbraw/zinc/29/57/45/1077295745.db2.gz WEPJLJUJBOWYMJ-KRWDZBQOSA-N 0 3 400.523 2.098 20 0 HEADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCC4(CCCC4)C3)c2)CC1 ZINC000743987624 1077297390 /nfs/dbraw/zinc/29/73/90/1077297390.db2.gz UDRYPVPWSWCGOX-UHFFFAOYSA-N 0 3 412.534 2.115 20 0 HEADHN CON(C)S(=O)(=O)c1cccc(C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000744251554 1077349958 /nfs/dbraw/zinc/34/99/58/1077349958.db2.gz FRWAGVYKTGSRSO-UHFFFAOYSA-N 0 3 405.520 2.073 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000766328431 1077812138 /nfs/dbraw/zinc/81/21/38/1077812138.db2.gz DQYDFMIMUFBIMQ-QZTJIDSGSA-N 0 3 417.554 2.319 20 0 HEADHN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN[C@H](CCO)C1CC1 ZINC000771798393 1079512932 /nfs/dbraw/zinc/51/29/32/1079512932.db2.gz HOJVXYKBNIXSFU-GOSISDBHSA-N 0 3 420.579 2.481 20 0 HEADHN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN[C@@H](CO)C1CC1 ZINC000771805717 1079538956 /nfs/dbraw/zinc/53/89/56/1079538956.db2.gz TZRLOXJLJGQEFK-SFHVURJKSA-N 0 3 406.552 2.091 20 0 HEADHN CCN1CCN(c2ccc(N3C(=O)N[C@H](c4ccc(OC)c(O)c4)C3=O)cc2)CC1 ZINC000771826201 1079549472 /nfs/dbraw/zinc/54/94/72/1079549472.db2.gz FDHYSFWCUJRMKG-HXUWFJFHSA-N 0 3 410.474 2.340 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000767018839 1079593498 /nfs/dbraw/zinc/59/34/98/1079593498.db2.gz ADLOHTCPOYNABF-NHCUHLMSSA-N 0 3 414.550 2.102 20 0 HEADHN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000771952936 1079600809 /nfs/dbraw/zinc/60/08/09/1079600809.db2.gz KUMDRCLREDKLDE-QZTJIDSGSA-N 0 3 411.591 2.101 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCc2sc(Br)cc2C1 ZINC000771975675 1079618225 /nfs/dbraw/zinc/61/82/25/1079618225.db2.gz DYPCDHCDTWBENO-CHWSQXEVSA-N 0 3 400.342 2.442 20 0 HEADHN COCC1CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170037258 1079672713 /nfs/dbraw/zinc/67/27/13/1079672713.db2.gz HCKVFPMOSXFZPH-IRXDYDNUSA-N 0 3 413.584 2.256 20 0 HEADHN CCCCC[C@H](C)NC(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767144213 1079678039 /nfs/dbraw/zinc/67/80/39/1079678039.db2.gz OOXICKRKEIHUDP-HTAPYJJXSA-N 0 3 400.523 2.268 20 0 HEADHN O=C1c2ccccc2/C(=C\NC[C@H]2CN3CCN2CC3)C(=O)N1c1ccccc1Cl ZINC000746521372 1079684680 /nfs/dbraw/zinc/68/46/80/1079684680.db2.gz HZFQEBVZXBNWTG-TWQQJCIXSA-N 0 3 422.916 2.457 20 0 HEADHN COC(=O)Cc1ccccc1CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000767155089 1079718942 /nfs/dbraw/zinc/71/89/42/1079718942.db2.gz XDBKREQYKXGMQG-QHCPKHFHSA-N 0 3 407.470 2.099 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000772229151 1079751574 /nfs/dbraw/zinc/75/15/74/1079751574.db2.gz XSXCQFURJQVMAR-NHCUHLMSSA-N 0 3 421.497 2.206 20 0 HEADHN COC(=O)/C=C\c1ccc(OCCN2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000767297172 1079798334 /nfs/dbraw/zinc/79/83/34/1079798334.db2.gz SSKODBGPSLBBIU-YFWYWMRJSA-N 0 3 410.536 2.045 20 0 HEADHN COC(=O)/C=C\c1ccc(OCCN(C)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000767332811 1079808925 /nfs/dbraw/zinc/80/89/25/1079808925.db2.gz QCXYFIVNXVUOOT-XFXZXTDPSA-N 0 3 408.454 2.480 20 0 HEADHN Cc1ccc(C)c(OC[C@@H](O)CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1C ZINC000772327470 1079822434 /nfs/dbraw/zinc/82/24/34/1079822434.db2.gz GBCVKDBOOHCHAZ-SFHVURJKSA-N 0 3 413.518 2.389 20 0 HEADHN Cc1ccc(C)c(OC[C@H](O)CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1C ZINC000772327466 1079822601 /nfs/dbraw/zinc/82/26/01/1079822601.db2.gz GBCVKDBOOHCHAZ-GOSISDBHSA-N 0 3 413.518 2.389 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)c3cnn(CC(=O)NC4CCCC4)c3)cc2)CC1 ZINC000772389789 1079858498 /nfs/dbraw/zinc/85/84/98/1079858498.db2.gz CMPJAUQLORKWGE-UHFFFAOYSA-N 0 3 424.549 2.336 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCN3CCCC[C@@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047451 1080046239 /nfs/dbraw/zinc/04/62/39/1080046239.db2.gz DRBOFZKXDMKQAY-KURKYZTESA-N 0 3 424.611 2.067 20 0 HEADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C)C[C@@H]3[C@H](C)O)CC2)c(F)c1 ZINC000785545044 1080051438 /nfs/dbraw/zinc/05/14/38/1080051438.db2.gz AQIXTMJSDZAULA-HZUJVAHNSA-N 0 3 405.514 2.158 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCN1CCCC(C)(C)C1 ZINC000767741204 1080060513 /nfs/dbraw/zinc/06/05/13/1080060513.db2.gz ZJEMXNOVSBCZDV-OAHLLOKOSA-N 0 3 402.992 2.416 20 0 HEADHN COc1ccc(CN2CCCN(C(=O)COC(=O)c3cccc4[nH]ncc43)CC2)cc1 ZINC000785592852 1080066388 /nfs/dbraw/zinc/06/63/88/1080066388.db2.gz SSUAOIRWVIWZKT-UHFFFAOYSA-N 0 3 422.485 2.463 20 0 HEADHN CSC[C@@H]1CCCN1CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000767769603 1080078122 /nfs/dbraw/zinc/07/81/22/1080078122.db2.gz BJGUCNSSVNAUBN-GHTZIAJQSA-N 0 3 402.564 2.358 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000767781265 1080089376 /nfs/dbraw/zinc/08/93/76/1080089376.db2.gz WAMDVGGRYUTDRA-OAQYLSRUSA-N 0 3 400.498 2.106 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2ccc(SC)cc2)CC1=O ZINC000785652410 1080105125 /nfs/dbraw/zinc/10/51/25/1080105125.db2.gz MMFPGPPFGIKSDU-SJORKVTESA-N 0 3 404.532 2.467 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)COc2ccc(Cl)cc2)CC1=O ZINC000785656186 1080175422 /nfs/dbraw/zinc/17/54/22/1080175422.db2.gz SZKYKGAPZONYFK-NVXWUHKLSA-N 0 3 422.909 2.164 20 0 HEADHN O=C(COC(=O)c1ccc(CN2CCC(CO)CC2)cc1)NC(C1CC1)C1CC1 ZINC000785712041 1080220944 /nfs/dbraw/zinc/22/09/44/1080220944.db2.gz GPMZEJSEGHYHMK-UHFFFAOYSA-N 0 3 400.519 2.353 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)NC1CCC2(CC1)OCCO2 ZINC000785715830 1080224407 /nfs/dbraw/zinc/22/44/07/1080224407.db2.gz TUHYZJYVPOOTAW-UHFFFAOYSA-N 0 3 402.491 2.241 20 0 HEADHN Cc1ccc(N2C[C@@H](C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)CC2=O)cc1F ZINC000785809622 1080253895 /nfs/dbraw/zinc/25/38/95/1080253895.db2.gz PZBIHXQEFDOFAT-IRXDYDNUSA-N 0 3 403.498 2.199 20 0 HEADHN Cc1ccc(C)c(N2N=C(C(=O)N3CCN(C4CCOCC4)C[C@H]3C)CCC2=O)c1 ZINC000785825729 1080261858 /nfs/dbraw/zinc/26/18/58/1080261858.db2.gz UDVVDLTTZGHYPZ-GOSISDBHSA-N 0 3 412.534 2.498 20 0 HEADHN CN1CCN(CCCNC(=O)N[C@H]2CCCC3(C2)OCCO3)[C@H](c2ccccc2)C1 ZINC000768201944 1080391233 /nfs/dbraw/zinc/39/12/33/1080391233.db2.gz MHPIVDVNDSQENJ-SFTDATJTSA-N 0 3 416.566 2.350 20 0 HEADHN CC(C)(C)OC(=O)Nc1ccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 ZINC000768234809 1080435426 /nfs/dbraw/zinc/43/54/26/1080435426.db2.gz QTKNWWDESKGFAX-KRWDZBQOSA-N 0 3 404.511 2.499 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768253639 1080443330 /nfs/dbraw/zinc/44/33/30/1080443330.db2.gz MLNZMNWXCCAIRN-FPOVZHCZSA-N 0 3 415.534 2.405 20 0 HEADHN C[C@H]1[C@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000786172813 1080478275 /nfs/dbraw/zinc/47/82/75/1080478275.db2.gz CSQRHEOCWFWPOB-JKSUJKDBSA-N 0 3 413.559 2.364 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N1CCNC(C)(C)C1 ZINC000786279628 1080525807 /nfs/dbraw/zinc/52/58/07/1080525807.db2.gz HDYBLJWXGHBQLE-KRWDZBQOSA-N 0 3 419.522 2.224 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC000768428888 1080550248 /nfs/dbraw/zinc/55/02/48/1080550248.db2.gz KYLXSYYFJLTKTL-PKOBYXMFSA-N 0 3 420.554 2.036 20 0 HEADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCC[C@H]2CCCC[N@H+]2C)CCCC1 ZINC000786314124 1080558945 /nfs/dbraw/zinc/55/89/45/1080558945.db2.gz QVWSGPJZBBYDET-MRXNPFEDSA-N 0 3 413.540 2.300 20 0 HEADHN Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)OCC[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC000786314124 1080558953 /nfs/dbraw/zinc/55/89/53/1080558953.db2.gz QVWSGPJZBBYDET-MRXNPFEDSA-N 0 3 413.540 2.300 20 0 HEADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000768464508 1080585297 /nfs/dbraw/zinc/58/52/97/1080585297.db2.gz AQLXLGBORVVZRL-IBGZPJMESA-N 0 3 424.586 2.129 20 0 HEADHN COCCN1CCC(NC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000746591489 1080706045 /nfs/dbraw/zinc/70/60/45/1080706045.db2.gz GOIURUGKYDYXLA-UHFFFAOYSA-N 0 3 401.429 2.181 20 0 HEADHN O=C(NCc1ccc(Cl)nc1)C(=O)NCC1(N2CCSCC2)CCCCC1 ZINC000786613807 1080709770 /nfs/dbraw/zinc/70/97/70/1080709770.db2.gz IAKOLDPWDSAONQ-UHFFFAOYSA-N 0 3 410.971 2.219 20 0 HEADHN CC(C)[C@H](CNC(=O)C(=O)NCC[S@@](=O)Cc1ccccc1)N1CCCCCC1 ZINC000786629153 1080724042 /nfs/dbraw/zinc/72/40/42/1080724042.db2.gz RILMBLCUFDEWHU-AFJIDDCJSA-N 0 3 421.607 2.068 20 0 HEADHN C[C@@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C[C@H]1O ZINC000768765386 1080753318 /nfs/dbraw/zinc/75/33/18/1080753318.db2.gz DMRFHEQMRNRXJY-AUSIDOKSSA-N 0 3 408.546 2.260 20 0 HEADHN CN(C)[C@@H](CNC(=S)NCCCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768784241 1080796497 /nfs/dbraw/zinc/79/64/97/1080796497.db2.gz JLJFDSSRISDIHD-KRWDZBQOSA-N 0 3 418.529 2.495 20 0 HEADHN COc1ncc(Br)cc1COC(=O)C1CC[C@H](C(F)(F)F)NC1=O ZINC000768824781 1080813729 /nfs/dbraw/zinc/81/37/29/1080813729.db2.gz HYVVMJALTPGCTF-VHSXEESVSA-N 0 3 411.174 2.353 20 0 HEADHN COC(=O)c1ccc(CNC(=O)[C@H](C)OC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786826066 1080826593 /nfs/dbraw/zinc/82/65/93/1080826593.db2.gz OMORTOOAUJQDJP-KRWDZBQOSA-N 0 3 424.497 2.470 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CC(=O)N(C(C)C)C(C)(C)C3)cc2)CC1 ZINC000743859713 1080827460 /nfs/dbraw/zinc/82/74/60/1080827460.db2.gz OEXYTOLCXDZPJT-UHFFFAOYSA-N 0 3 415.582 2.098 20 0 HEADHN COc1cc(N[C@@H]2CCCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)cc(OC)c1 ZINC000769098457 1080907520 /nfs/dbraw/zinc/90/75/20/1080907520.db2.gz LUJPPHDFYQWMMO-BLIXFSHQSA-N 0 3 418.538 2.153 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000769098304 1080907850 /nfs/dbraw/zinc/90/78/50/1080907850.db2.gz KVKJKUJUKWAJPN-OIISXLGYSA-N 0 3 415.456 2.019 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccccc1C(F)(F)F)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000769098291 1080908460 /nfs/dbraw/zinc/90/84/60/1080908460.db2.gz KVKJKUJUKWAJPN-DJIMGWMZSA-N 0 3 415.456 2.019 20 0 HEADHN Cc1ccc2ncc(CN3CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)n2c1 ZINC000769192740 1080966606 /nfs/dbraw/zinc/96/66/06/1080966606.db2.gz ZBIOYSBGEFADHE-KRWDZBQOSA-N 0 3 415.538 2.496 20 0 HEADHN CCN(CCO)CCNC(=O)Nc1cnc(Br)c(Br)c1 ZINC000769242746 1081004384 /nfs/dbraw/zinc/00/43/84/1081004384.db2.gz PKMXILLTQWUJEB-UHFFFAOYSA-N 0 3 410.110 2.042 20 0 HEADHN O=C(CCN1CC[C@H](c2c(F)cccc2F)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000769228719 1081009396 /nfs/dbraw/zinc/00/93/96/1081009396.db2.gz PISMUYXTHYYFML-AWEZNQCLSA-N 0 3 420.460 2.430 20 0 HEADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000769266669 1081022014 /nfs/dbraw/zinc/02/20/14/1081022014.db2.gz GFOANTGPOSZRIR-HXUWFJFHSA-N 0 3 420.517 2.479 20 0 HEADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372302 1081055916 /nfs/dbraw/zinc/05/59/16/1081055916.db2.gz UWGYFKOULQPXCA-JKSUJKDBSA-N 0 3 411.493 2.482 20 0 HEADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372299 1081056208 /nfs/dbraw/zinc/05/62/08/1081056208.db2.gz UWGYFKOULQPXCA-CVEARBPZSA-N 0 3 411.493 2.482 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000787225097 1081078216 /nfs/dbraw/zinc/07/82/16/1081078216.db2.gz AVNMPJMRABXPKM-IRXDYDNUSA-N 0 3 410.559 2.281 20 0 HEADHN CCN(CCO)CCNC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000769636051 1081154433 /nfs/dbraw/zinc/15/44/33/1081154433.db2.gz SXVRIIIFCSDPPA-UFUQCMIWSA-N 0 3 407.942 2.165 20 0 HEADHN COc1cccc(COC[C@H](O)CN2CCC(OC)(c3nc(C4CC4)no3)CC2)c1 ZINC000225838912 568782889 /nfs/dbraw/zinc/78/28/89/568782889.db2.gz JONXSBJFGDJMRT-GOSISDBHSA-N 0 3 417.506 2.471 20 0 HEADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2ccccc2OC)nnc1Cl ZINC001164630597 719138350 /nfs/dbraw/zinc/13/83/50/719138350.db2.gz JOWANNMZTSXNSP-CQSZACIVSA-N 0 3 412.824 2.302 20 0 HEADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164629766 719138459 /nfs/dbraw/zinc/13/84/59/719138459.db2.gz DPWPBTXFZPUAIU-HNNXBMFYSA-N 0 3 412.824 2.302 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccncc3)nc3c1CCC3)CC2 ZINC001164689319 719747563 /nfs/dbraw/zinc/74/75/63/719747563.db2.gz ASVVTEQJKZLXBX-UHFFFAOYSA-N 0 3 406.534 2.208 20 0 HEADHN O=C(CO[C@@H]1CC[C@H]2[C@@H]1OCCN2c1ccc(CN2CCCC2)cn1)N1CCCC1 ZINC001164711444 720085560 /nfs/dbraw/zinc/08/55/60/720085560.db2.gz MYOATRQNBCFTEI-MZKRTTBSSA-N 0 3 414.550 2.053 20 0 HEADHN CN(Cc1ccc(N2CCO[C@@H]3[C@@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1)C1CC1 ZINC001164709409 720086141 /nfs/dbraw/zinc/08/61/41/720086141.db2.gz DRVAYMWECLBGSK-JTAQYXEDSA-N 0 3 414.550 2.051 20 0 HEADHN O=C(CO[C@@H]1CC[C@@H]2[C@@H]1OCCN2c1ncccc1CN1CCCC1)N1CCCC1 ZINC001164710918 720087028 /nfs/dbraw/zinc/08/70/28/720087028.db2.gz KIQOYJAJBSJADY-SJBKTWHCSA-N 0 3 414.550 2.053 20 0 HEADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164738326 720666385 /nfs/dbraw/zinc/66/63/85/720666385.db2.gz IYLHEPKYFGNXGU-GJZGRUSLSA-N 0 3 417.897 2.352 20 0 HEADHN COC(=O)c1ccc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164739676 720675379 /nfs/dbraw/zinc/67/53/79/720675379.db2.gz OSQNKUUMRVLWQY-MSOLQXFVSA-N 0 3 405.458 2.153 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc2c1 ZINC001164737061 720683117 /nfs/dbraw/zinc/68/31/17/720683117.db2.gz CUADPXXIAVKDPL-ZWKOTPCHSA-N 0 3 405.458 2.153 20 0 HEADHN COc1cc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164737841 720708565 /nfs/dbraw/zinc/70/85/65/720708565.db2.gz HIRFFDCQKKBRDO-IRXDYDNUSA-N 0 3 407.474 2.384 20 0 HEADHN COc1cccc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164742205 720732674 /nfs/dbraw/zinc/73/26/74/720732674.db2.gz NQZBLJTUCMXBJL-HKUYNNGSSA-N 0 3 404.474 2.284 20 0 HEADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739034 720736408 /nfs/dbraw/zinc/73/64/08/720736408.db2.gz HXCQBLXJHSFGLT-KBPBESRZSA-N 0 3 414.901 2.193 20 0 HEADHN c1cc(-c2nc(C3CC3)no2)cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742733 720798123 /nfs/dbraw/zinc/79/81/23/720798123.db2.gz DEOCLMJUJIMRQV-DLBZAZTESA-N 0 3 405.462 2.141 20 0 HEADHN O=C(c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCCC1 ZINC001164869235 721044308 /nfs/dbraw/zinc/04/43/08/721044308.db2.gz SQAWFPCYHXUWBI-PMACEKPBSA-N 0 3 407.518 2.192 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@H]12 ZINC001164773788 721067876 /nfs/dbraw/zinc/06/78/76/721067876.db2.gz YKJBSNISTNJFAC-SVFBPWRDSA-N 0 3 409.534 2.182 20 0 HEADHN COC(=O)/C=C/c1cc(C)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880965 721123662 /nfs/dbraw/zinc/12/36/62/721123662.db2.gz YIUSZKAYWWNQME-VGKRUOJXSA-N 0 3 408.502 2.451 20 0 HEADHN COC(=O)/C=C\c1cc(C)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880966 721124285 /nfs/dbraw/zinc/12/42/85/721124285.db2.gz YIUSZKAYWWNQME-XWXQIQOZSA-N 0 3 408.502 2.451 20 0 HEADHN COc1cc(OC)c2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164760190 721241601 /nfs/dbraw/zinc/24/16/01/721241601.db2.gz CZBCRGMPTAWPPD-SJORKVTESA-N 0 3 408.506 2.339 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@@H]2OCC[C@@H]21 ZINC001164877427 721304331 /nfs/dbraw/zinc/30/43/31/721304331.db2.gz IRKXJEIVYAPGJB-VSKRKVRLSA-N 0 3 421.545 2.230 20 0 HEADHN COc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164888536 721379026 /nfs/dbraw/zinc/37/90/26/721379026.db2.gz JZGOSPVYFFVWRL-GCJKJVERSA-N 0 3 418.586 2.071 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)N3c3nccs3)C2)c1 ZINC001164898257 721495680 /nfs/dbraw/zinc/49/56/80/721495680.db2.gz GFXQJZPPCIAENG-GUDVDZBRSA-N 0 3 424.578 2.365 20 0 HEADHN COC(=O)c1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902079 721512677 /nfs/dbraw/zinc/51/26/77/721512677.db2.gz YYYJAFVAPOQEGO-ZFWWWQNUSA-N 0 3 406.845 2.398 20 0 HEADHN COC(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1OC ZINC001164899178 721517333 /nfs/dbraw/zinc/51/73/33/721517333.db2.gz KQZKRJJVTYGNMD-RDJZCZTQSA-N 0 3 401.438 2.358 20 0 HEADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905217 721540907 /nfs/dbraw/zinc/54/09/07/721540907.db2.gz GUUVAMCUHSJBHO-NVXWUHKLSA-N 0 3 423.448 2.292 20 0 HEADHN CCOC(=O)Cc1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909169 721545776 /nfs/dbraw/zinc/54/57/76/721545776.db2.gz QUWDCKJLERGSQU-MJGOQNOKSA-N 0 3 400.454 2.063 20 0 HEADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164903080 721549792 /nfs/dbraw/zinc/54/97/92/721549792.db2.gz CBVDVDOURHTXQM-ZBFHGGJFSA-N 0 3 419.888 2.440 20 0 HEADHN CON(C)C(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910335 721560135 /nfs/dbraw/zinc/56/01/35/721560135.db2.gz WHOQJAOQRMDUEY-HKUYNNGSSA-N 0 3 400.454 2.196 20 0 HEADHN O=C(CO[C@H]1CO[C@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)N1CCCC1 ZINC001164937910 721919365 /nfs/dbraw/zinc/91/93/65/721919365.db2.gz HIZGNHLCSLKCIR-NFBKMPQASA-N 0 3 414.550 2.054 20 0 HEADHN COC(=O)c1c[nH]c2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164979753 722109010 /nfs/dbraw/zinc/10/90/10/722109010.db2.gz PSDFNQPBGDYXFG-PXNSSMCTSA-N 0 3 421.501 2.472 20 0 HEADHN Cc1cn(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cn1 ZINC001164978946 722131439 /nfs/dbraw/zinc/13/14/39/722131439.db2.gz LEBDZPNSKSFLRG-PMACEKPBSA-N 0 3 405.506 2.093 20 0 HEADHN CCCNC(=O)c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972821 722140648 /nfs/dbraw/zinc/14/06/48/722140648.db2.gz ATVHWMGRCNJMEU-CTNGQTDRSA-N 0 3 409.534 2.344 20 0 HEADHN CCOC(=O)Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164977106 722156072 /nfs/dbraw/zinc/15/60/72/722156072.db2.gz XAUDCWISJGBWJT-NHCUHLMSSA-N 0 3 410.518 2.310 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)c1 ZINC001164989136 722187272 /nfs/dbraw/zinc/18/72/72/722187272.db2.gz HXJJWSYDFPKTEY-IFMALSPDSA-N 0 3 414.575 2.325 20 0 HEADHN CCOC(=O)CN(C)CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000745455839 1078491007 /nfs/dbraw/zinc/49/10/07/1078491007.db2.gz UPNIWRAPGDLHMM-UHFFFAOYSA-N 0 3 424.545 2.442 20 0 HEADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000769659596 1078498549 /nfs/dbraw/zinc/49/85/49/1078498549.db2.gz HPYJKCIMOZEWJP-HNNXBMFYSA-N 0 3 404.536 2.422 20 0 HEADHN C[C@H](CNC(=O)NCCc1ccc(N2CCCCC2)cc1)CN1CCN(C)CC1 ZINC000745611087 1078566807 /nfs/dbraw/zinc/56/68/07/1078566807.db2.gz VRYHVQQXCBDTTD-HXUWFJFHSA-N 0 3 401.599 2.402 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@H](NCC(=O)Nc1ccccc1C(N)=O)C1CCCC1 ZINC000769921011 1078636570 /nfs/dbraw/zinc/63/65/70/1078636570.db2.gz UKAAETIWNBOUCE-QGZVFWFLSA-N 0 3 404.511 2.397 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000745782679 1078642070 /nfs/dbraw/zinc/64/20/70/1078642070.db2.gz VUHAWIWFKNNFOC-QZTJIDSGSA-N 0 3 417.554 2.277 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)C2=O)cc1 ZINC000745879718 1078682867 /nfs/dbraw/zinc/68/28/67/1078682867.db2.gz WBCGGZXMJRBJOA-PMACEKPBSA-N 0 3 402.539 2.243 20 0 HEADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000770049587 1078704434 /nfs/dbraw/zinc/70/44/34/1078704434.db2.gz OICIFBHEYBLIIO-DNVCBOLYSA-N 0 3 405.520 2.290 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CC[C@H](C)C2)cc1NC(=O)OC(C)(C)C ZINC000746045802 1078755022 /nfs/dbraw/zinc/75/50/22/1078755022.db2.gz KDIFVHSQARQAHW-AWEZNQCLSA-N 0 3 420.510 2.439 20 0 HEADHN COC(=O)C[C@]1(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CCCOC1 ZINC000770164160 1078762530 /nfs/dbraw/zinc/76/25/30/1078762530.db2.gz SEYKLHZXVBLYHL-JOCHJYFZSA-N 0 3 403.523 2.059 20 0 HEADHN COc1cccc(Cc2cnc(NC(=O)[C@H]3CC(=O)N(CCN(C)C)C3)s2)c1 ZINC000746135676 1078802467 /nfs/dbraw/zinc/80/24/67/1078802467.db2.gz WZLFYNFGNAPSDH-HNNXBMFYSA-N 0 3 402.520 2.091 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 ZINC000746133646 1078801760 /nfs/dbraw/zinc/80/17/60/1078801760.db2.gz HLVLJEWBXBRHGL-OAQYLSRUSA-N 0 3 407.514 2.138 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000746218313 1078824573 /nfs/dbraw/zinc/82/45/73/1078824573.db2.gz FKEUPRUZADFTPL-AUSIDOKSSA-N 0 3 417.550 2.169 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000770362833 1078830901 /nfs/dbraw/zinc/83/09/01/1078830901.db2.gz NWCUQTJOFPZDHA-SJORKVTESA-N 0 3 403.527 2.029 20 0 HEADHN Cc1nn(C)cc1CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770384407 1078835285 /nfs/dbraw/zinc/83/52/85/1078835285.db2.gz RMYNLBYRJPEKGF-IEBWSBKVSA-N 0 3 419.570 2.456 20 0 HEADHN O=C(c1cccc2nccn21)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000770415146 1078845225 /nfs/dbraw/zinc/84/52/25/1078845225.db2.gz RBHGGGUEMOUDLX-IBGZPJMESA-N 0 3 404.518 2.404 20 0 HEADHN Cc1ccc(N2CC[C@H](NC(=O)CCN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000746298539 1078846432 /nfs/dbraw/zinc/84/64/32/1078846432.db2.gz FTTYRQOISLLRAK-QFIPXVFZSA-N 0 3 406.530 2.429 20 0 HEADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCOc2ccccc2C1 ZINC000746501465 1078847691 /nfs/dbraw/zinc/84/76/91/1078847691.db2.gz FNTQSPFYAKJEDM-XMMPIXPASA-N 0 3 420.513 2.425 20 0 HEADHN CCN1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766351163 1078898753 /nfs/dbraw/zinc/89/87/53/1078898753.db2.gz NXQZGAXQWPFBGC-OAQYLSRUSA-N 0 3 416.566 2.179 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000770594066 1078900520 /nfs/dbraw/zinc/90/05/20/1078900520.db2.gz IGUNUQIADYKNNZ-RHSMWYFYSA-N 0 3 402.461 2.064 20 0 HEADHN CCN(CC)[C@H](CNC(=O)C(=O)Nc1cnn(C)c1C1CC1)c1cccc(OC)c1 ZINC000770725067 1078951268 /nfs/dbraw/zinc/95/12/68/1078951268.db2.gz JSZHMGIUFAENFZ-LJQANCHMSA-N 0 3 413.522 2.444 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@@H](c3nncn3C(C)C)C2)cc1 ZINC000746452353 1078981686 /nfs/dbraw/zinc/98/16/86/1078981686.db2.gz STXHTGRUJOYHFR-QZTJIDSGSA-N 0 3 402.495 2.265 20 0 HEADHN COC(=O)CN(C)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC12CCCCC2 ZINC000746479910 1079035305 /nfs/dbraw/zinc/03/53/05/1079035305.db2.gz CIWNRKCTOYZTRG-UHFFFAOYSA-N 0 3 411.543 2.264 20 0 HEADHN CNS(=O)(=O)c1ccc([C@H](C)NC[C@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC001168800377 1079040637 /nfs/dbraw/zinc/04/06/37/1079040637.db2.gz CNWPYWXDYDMKMI-YOEHRIQHSA-N 0 3 403.504 2.167 20 0 HEADHN C[C@H]1C[C@H](N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)CN1C(=O)OC(C)(C)C ZINC001168868792 1079058512 /nfs/dbraw/zinc/05/85/12/1079058512.db2.gz UYVTZVVASSBWTG-WMZOPIPTSA-N 0 3 407.555 2.488 20 0 HEADHN C[C@@H]1C[C@H](N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869892 1079059354 /nfs/dbraw/zinc/05/93/54/1079059354.db2.gz YUKDHBOUAMPYAS-NJAFHUGGSA-N 0 3 417.554 2.256 20 0 HEADHN C[C@@H]1C[C@@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849858 1079061180 /nfs/dbraw/zinc/06/11/80/1079061180.db2.gz LYZBATRBSCCINH-HUUCEWRRSA-N 0 3 401.511 2.111 20 0 HEADHN COc1ccc(CN2CC[C@@H](NCc3ccnc(N4CCCNC4=O)c3)CC2=O)cc1 ZINC001168917979 1079075462 /nfs/dbraw/zinc/07/54/62/1079075462.db2.gz ZTICUHIKAYISHE-LJQANCHMSA-N 0 3 423.517 2.291 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)Nc3ccc(N4CCNC(=O)C4)cc3)CC2)c1 ZINC000746124579 1079084460 /nfs/dbraw/zinc/08/44/60/1079084460.db2.gz XMAKOFGHPMAVCM-UHFFFAOYSA-N 0 3 421.545 2.082 20 0 HEADHN C[C@H]1CCc2c(sc3nc(CN4CCCC4)nc(N(C)S(=O)(=O)CCN)c23)C1 ZINC001156239535 1079093373 /nfs/dbraw/zinc/09/33/73/1079093373.db2.gz UFWCPKZPJDVSNF-ZDUSSCGKSA-N 0 3 423.608 2.137 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000771039994 1079113061 /nfs/dbraw/zinc/11/30/61/1079113061.db2.gz OXCHYQYNTKTFAT-SJLPKXTDSA-N 0 3 405.926 2.058 20 0 HEADHN O=C(CCCCNC(=O)OCc1ccccc1)NC1CCN([C@H]2CCOC2)CC1 ZINC000771038856 1079113076 /nfs/dbraw/zinc/11/30/76/1079113076.db2.gz KMGNJCDATJWKBS-FQEVSTJZSA-N 0 3 403.523 2.453 20 0 HEADHN COCC[S@@](=O)Cc1cccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000771155974 1079170000 /nfs/dbraw/zinc/17/00/00/1079170000.db2.gz BBFOBCUBGLGSQI-GDLZYMKVSA-N 0 3 424.611 2.119 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)N1CCCC1)C(C)C ZINC000771190952 1079215138 /nfs/dbraw/zinc/21/51/38/1079215138.db2.gz OPTDXQTWGINGEG-KRWDZBQOSA-N 0 3 402.539 2.486 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)C(C)C ZINC000771217151 1079232400 /nfs/dbraw/zinc/23/24/00/1079232400.db2.gz XKLFURWYKXNDOT-GOSISDBHSA-N 0 3 414.550 2.486 20 0 HEADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2CN(C)C)C1=O ZINC000771262869 1079252344 /nfs/dbraw/zinc/25/23/44/1079252344.db2.gz GGNSRKFABKGAJM-QFIPXVFZSA-N 0 3 410.474 2.163 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388540 1079258780 /nfs/dbraw/zinc/25/87/80/1079258780.db2.gz ASPZIDWDCOMFOO-BXWFABGCSA-N 0 3 410.465 2.125 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394737 1079266711 /nfs/dbraw/zinc/26/67/11/1079266711.db2.gz FOXFACYANVGSEI-VMBXEPDQSA-N 0 3 404.507 2.251 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCOC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)CO1 ZINC001169397381 1079269249 /nfs/dbraw/zinc/26/92/49/1079269249.db2.gz MOHRLXBLMMBBFW-SVFBPWRDSA-N 0 3 423.579 2.087 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)CO1 ZINC001169397946 1079270094 /nfs/dbraw/zinc/27/00/94/1079270094.db2.gz OPQATSVFLDEUCV-AABGKKOBSA-N 0 3 400.519 2.435 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)NC1CCC(O)(c2cccnc2)CC1 ZINC000771355422 1079302343 /nfs/dbraw/zinc/30/23/43/1079302343.db2.gz BDGXJOUHGYYZKJ-RZMWZJFBSA-N 0 3 424.545 2.148 20 0 HEADHN CCOC(=O)C1(CNc2nccc(CN3CC[C@H](CO)C3)c2C(OC)OC)CCC1 ZINC001169554495 1079330459 /nfs/dbraw/zinc/33/04/59/1079330459.db2.gz RATDRENYVNVMSC-INIZCTEOSA-N 0 3 421.538 2.333 20 0 HEADHN Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)NCC2(N3CCSCC3)CCCC2)cn1 ZINC000766762176 1079344648 /nfs/dbraw/zinc/34/46/48/1079344648.db2.gz OITCEFBMAUPBBS-RTBURBONSA-N 0 3 421.611 2.379 20 0 HEADHN NC(=O)c1ccsc1NC(=O)CCN1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000771466417 1079363066 /nfs/dbraw/zinc/36/30/66/1079363066.db2.gz DJDSXRCRTFIMJI-INIZCTEOSA-N 0 3 418.563 2.290 20 0 HEADHN Cc1cccc(CNC(=O)Cc2noc([C@]3(O)CCN(Cc4ccccc4)C3)n2)c1 ZINC000771623163 1079406129 /nfs/dbraw/zinc/40/61/29/1079406129.db2.gz JFIMTWRSGLNPIN-QHCPKHFHSA-N 0 3 406.486 2.330 20 0 HEADHN Cc1ccccc1[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)CCN1 ZINC001169829941 1079425117 /nfs/dbraw/zinc/42/51/17/1079425117.db2.gz FOYYJKWQUSXARC-HXUWFJFHSA-N 0 3 407.518 2.399 20 0 HEADHN CCN1CCCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 ZINC000766838035 1079427522 /nfs/dbraw/zinc/42/75/22/1079427522.db2.gz VMCYWQOEBKFWPE-UHFFFAOYSA-N 0 3 423.457 2.096 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000771658831 1079429984 /nfs/dbraw/zinc/42/99/84/1079429984.db2.gz WMDRTMKOQDLZLO-DTBMRADHSA-N 0 3 410.518 2.193 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000771658832 1079430016 /nfs/dbraw/zinc/43/00/16/1079430016.db2.gz WMDRTMKOQDLZLO-HGBKYHTQSA-N 0 3 410.518 2.193 20 0 HEADHN Cn1ccnc1[C@](O)(CCNC(=O)N1CCN(C2CCCCC2)CC1)C(F)(F)F ZINC000766860796 1079450865 /nfs/dbraw/zinc/45/08/65/1079450865.db2.gz UUBJHBIFSGJUEY-GOSISDBHSA-N 0 3 417.476 2.220 20 0 HEADHN COC[C@H]1CC2(CN1c1ncccn1)CCN(C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169879858 1079454080 /nfs/dbraw/zinc/45/40/80/1079454080.db2.gz IBMGPCJYVPCLBU-JLAWEPINSA-N 0 3 422.595 2.140 20 0 HEADHN CS(=O)(=O)C1CCC(N2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)CC1 ZINC001169881802 1079455665 /nfs/dbraw/zinc/45/56/65/1079455665.db2.gz WZZNGKIGEIBEHI-ZCFHBRKKSA-N 0 3 412.596 2.128 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771757493 1079487209 /nfs/dbraw/zinc/48/72/09/1079487209.db2.gz UILVWKUQYUEFLH-MOPGFXCFSA-N 0 3 404.555 2.395 20 0 HEADHN Cc1oc(-c2ccccc2F)nc1C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000737832114 1075934939 /nfs/dbraw/zinc/93/49/39/1075934939.db2.gz VIQQYBLBRYGCFL-QGZVFWFLSA-N 0 3 400.454 2.343 20 0 HEADHN CN(C)CCn1nccc1NC(=O)c1ccc(I)cc1F ZINC001129321120 1075939516 /nfs/dbraw/zinc/93/95/16/1075939516.db2.gz POGLNLWEIPOOSH-UHFFFAOYSA-N 0 3 402.211 2.441 20 0 HEADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)c3cccnc3Cl)cc2)CC1 ZINC000738352566 1075997350 /nfs/dbraw/zinc/99/73/50/1075997350.db2.gz CBRFYPYDGLBIPA-UHFFFAOYSA-N 0 3 408.955 2.351 20 0 HEADHN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@@H](CN3CCCC3)C2)c1 ZINC000739788596 1076075237 /nfs/dbraw/zinc/07/52/37/1076075237.db2.gz QGZJLXNQSQTQKK-ZDUSSCGKSA-N 0 3 415.353 2.411 20 0 HEADHN C[C@](O)(CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000740034235 1076098009 /nfs/dbraw/zinc/09/80/09/1076098009.db2.gz UHZQBYUYMGQDDB-QFIPXVFZSA-N 0 3 416.591 2.463 20 0 HEADHN CC(C)(C)OC(=O)N1CCC(N(CC(=O)N2CCOC[C@@H]2C2CC2)C2CC2)CC1 ZINC000766253672 1076157863 /nfs/dbraw/zinc/15/78/63/1076157863.db2.gz WDNNSIFSWGGGED-LJQANCHMSA-N 0 3 407.555 2.488 20 0 HEADHN C[C@@H]1NC(C(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)=NN(c2ccccc2)C1=O ZINC000740847053 1076266492 /nfs/dbraw/zinc/26/64/92/1076266492.db2.gz MDXHVNSRQBTWML-OALUTQOASA-N 0 3 419.529 2.448 20 0 HEADHN C[C@@H]1CN(CCC(=O)Nc2sccc2C(N)=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740883212 1076282779 /nfs/dbraw/zinc/28/27/79/1076282779.db2.gz HVRGLOREPODFTB-TZMCWYRMSA-N 0 3 410.540 2.411 20 0 HEADHN CCN1CC[C@H](N(C)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C[C@H]1C ZINC000740893696 1076293263 /nfs/dbraw/zinc/29/32/63/1076293263.db2.gz BAONENQNNSWIRA-AEFFLSMTSA-N 0 3 409.552 2.142 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@@H]3CCC[C@@H](S(C)(=O)=O)C3)cc2)CC1 ZINC000741056103 1076346867 /nfs/dbraw/zinc/34/68/67/1076346867.db2.gz CXWYNHPLRUYMDX-IEBWSBKVSA-N 0 3 408.568 2.306 20 0 HEADHN CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000741071095 1076353281 /nfs/dbraw/zinc/35/32/81/1076353281.db2.gz QLUKOFCNGATSQQ-ROUUACIJSA-N 0 3 410.540 2.213 20 0 HEADHN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CN1[C@H](C)CC[C@@H]1C ZINC000741139285 1076383122 /nfs/dbraw/zinc/38/31/22/1076383122.db2.gz KVHUBRBOBOHAFA-HDICACEKSA-N 0 3 402.539 2.183 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000741157834 1076389947 /nfs/dbraw/zinc/38/99/47/1076389947.db2.gz GEOUOIMHBPICAU-VQTJNVASSA-N 0 3 421.563 2.191 20 0 HEADHN CCc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209272 1076404271 /nfs/dbraw/zinc/40/42/71/1076404271.db2.gz IXNVZICJOBXREX-HKUYNNGSSA-N 0 3 413.522 2.210 20 0 HEADHN CN(C)Cc1cccc(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000741282364 1076454575 /nfs/dbraw/zinc/45/45/75/1076454575.db2.gz OENKVBOWMOFBEF-UHFFFAOYSA-N 0 3 404.555 2.421 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(Cc3ccccc3)C[C@@H](C)O)cc2)CC1 ZINC000741424652 1076534261 /nfs/dbraw/zinc/53/42/61/1076534261.db2.gz GJEDBCWFOIWTGE-LJQANCHMSA-N 0 3 424.545 2.177 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000741788854 1076628180 /nfs/dbraw/zinc/62/81/80/1076628180.db2.gz IHWLBPADCGSOBP-INIZCTEOSA-N 0 3 413.522 2.432 20 0 HEADHN C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)[C@@H]1C ZINC000741791152 1076629216 /nfs/dbraw/zinc/62/92/16/1076629216.db2.gz QFOIMJFWFKKZHA-QMBNUAFSSA-N 0 3 405.564 2.252 20 0 HEADHN CN(CCc1ccc(S(N)(=O)=O)cc1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000741793968 1076631411 /nfs/dbraw/zinc/63/14/11/1076631411.db2.gz NAQHTEJYJGKQTI-UHFFFAOYSA-N 0 3 414.430 2.339 20 0 HEADHN CCOC(=O)N[C@@H]1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1 ZINC000742246147 1076805754 /nfs/dbraw/zinc/80/57/54/1076805754.db2.gz YWAUHBOUSGJOIP-LJQANCHMSA-N 0 3 402.539 2.244 20 0 HEADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742303852 1076812735 /nfs/dbraw/zinc/81/27/35/1076812735.db2.gz BLDKGKGIQAXJCX-RLLQIKCJSA-N 0 3 423.579 2.389 20 0 HEADHN CCN1CCC[C@@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742286262 1076816730 /nfs/dbraw/zinc/81/67/30/1076816730.db2.gz HZFVGXGGGUTOSW-VQTJNVASSA-N 0 3 423.579 2.439 20 0 HEADHN CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000742397692 1076834413 /nfs/dbraw/zinc/83/44/13/1076834413.db2.gz QXTOIYAVGCLQIA-IBGZPJMESA-N 0 3 405.520 2.210 20 0 HEADHN CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000742397694 1076834449 /nfs/dbraw/zinc/83/44/49/1076834449.db2.gz QXTOIYAVGCLQIA-LJQANCHMSA-N 0 3 405.520 2.210 20 0 HEADHN CN1CCN(CCCNC(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2)CC1 ZINC000742490887 1076844377 /nfs/dbraw/zinc/84/43/77/1076844377.db2.gz WSKGWSCJRIBEJK-UHFFFAOYSA-N 0 3 402.417 2.165 20 0 HEADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742634194 1076859653 /nfs/dbraw/zinc/85/96/53/1076859653.db2.gz OUYARYNPVJZBPP-UHFFFAOYSA-N 0 3 408.502 2.041 20 0 HEADHN CCN1CCN(CCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742670036 1076862769 /nfs/dbraw/zinc/86/27/69/1076862769.db2.gz QFKLQRCOXIHALB-LJQANCHMSA-N 0 3 404.555 2.049 20 0 HEADHN CCO[C@H](C)c1nc(CN2CCN(C(=S)NC3CCN(C)CC3)CC2)cs1 ZINC000743007194 1076923387 /nfs/dbraw/zinc/92/33/87/1076923387.db2.gz AAAYIDAQGNJENI-OAHLLOKOSA-N 0 3 411.641 2.327 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000743174861 1076989586 /nfs/dbraw/zinc/98/95/86/1076989586.db2.gz VMRKQDMJDDMWIK-RBUKOAKNSA-N 0 3 403.571 2.307 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 ZINC000743238741 1077011566 /nfs/dbraw/zinc/01/15/66/1077011566.db2.gz DVBSKVDUKHWDRC-INIZCTEOSA-N 0 3 403.527 2.347 20 0 HEADHN CCN(CC)C(=O)c1ccccc1NC(=O)C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000743414195 1077049013 /nfs/dbraw/zinc/04/90/13/1077049013.db2.gz NRQLLBFDIJOYIT-QGZVFWFLSA-N 0 3 402.539 2.344 20 0 HEADHN C[C@](O)(CNC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)c1ccco1 ZINC000743553710 1077067979 /nfs/dbraw/zinc/06/79/79/1077067979.db2.gz QHRCHKROYMLCBG-QHCPKHFHSA-N 0 3 414.550 2.384 20 0 HEADHN Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000743764172 1077117380 /nfs/dbraw/zinc/11/73/80/1077117380.db2.gz AOEPMLHOHIFARH-HSZRJFAPSA-N 0 3 406.486 2.253 20 0 HEADHN CN(C(=O)C1CC1)c1ccccc1C(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000743766277 1077119335 /nfs/dbraw/zinc/11/93/35/1077119335.db2.gz WFFBRBHUJBBRLQ-XMMPIXPASA-N 0 3 407.514 2.426 20 0 HEADHN Cc1ccc(C)n1-c1c(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cnn1C ZINC000743766165 1077120354 /nfs/dbraw/zinc/12/03/54/1077120354.db2.gz SMZRKOBIIKAMSK-QHCPKHFHSA-N 0 3 407.518 2.194 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000743855327 1077143595 /nfs/dbraw/zinc/14/35/95/1077143595.db2.gz LQKJRRPUZCRNBE-ICSRJNTNSA-N 0 3 403.523 2.214 20 0 HEADHN C[C@@H]1CCCCN1CCNC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000743862881 1077149587 /nfs/dbraw/zinc/14/95/87/1077149587.db2.gz WHWGPTWCLMGGEM-GOSISDBHSA-N 0 3 422.595 2.409 20 0 HEADHN CN(C[C@@H]1CCCN1C[C@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000743865790 1077152640 /nfs/dbraw/zinc/15/26/40/1077152640.db2.gz GSRNNNRKAVYIOZ-HOTGVXAUSA-N 0 3 408.495 2.486 20 0 HEADHN CSCC[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000743912281 1077189169 /nfs/dbraw/zinc/18/91/69/1077189169.db2.gz URANLKXKVSYPRA-CRAIPNDOSA-N 0 3 420.579 2.049 20 0 HEADHN C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1 ZINC000743914315 1077191936 /nfs/dbraw/zinc/19/19/36/1077191936.db2.gz NAQLIYZUMXISTF-AWEZNQCLSA-N 0 3 404.511 2.421 20 0 HEADHN Cc1c(NC(=O)C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cccc1N1CCOC1=O ZINC000743895367 1077206868 /nfs/dbraw/zinc/20/68/68/1077206868.db2.gz MRWIFSOAEZYKCV-SFHVURJKSA-N 0 3 424.501 2.179 20 0 HEADHN O=C(Nc1ccc(N2CCSCC2)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000743907842 1077223020 /nfs/dbraw/zinc/22/30/20/1077223020.db2.gz ZFXVISVXSIAPDW-IBGZPJMESA-N 0 3 402.564 2.265 20 0 HEADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](SC)C3)cc2)CC1 ZINC000743968791 1077273086 /nfs/dbraw/zinc/27/30/86/1077273086.db2.gz SMDLYDODZOYPSY-RBUKOAKNSA-N 0 3 404.580 2.163 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)C1 ZINC000743972597 1077275272 /nfs/dbraw/zinc/27/52/72/1077275272.db2.gz RIVVABZDXXGRAG-HXUWFJFHSA-N 0 3 422.485 2.315 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000743980298 1077293670 /nfs/dbraw/zinc/29/36/70/1077293670.db2.gz YRHCVOFVYFLXHC-INIZCTEOSA-N 0 3 415.563 2.314 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000743981868 1077295111 /nfs/dbraw/zinc/29/51/11/1077295111.db2.gz UGCQUKNZNUXLCV-ZDUSSCGKSA-N 0 3 420.311 2.174 20 0 HEADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000744109123 1077318873 /nfs/dbraw/zinc/31/88/73/1077318873.db2.gz RMHFLFZAPANSNL-UHFFFAOYSA-N 0 3 416.913 2.245 20 0 HEADHN CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC000745088403 1077725241 /nfs/dbraw/zinc/72/52/41/1077725241.db2.gz NKTWPNJVRSYFHB-TYPHKJRUSA-N 0 3 401.551 2.429 20 0 HEADHN COCCOC(=O)c1sc2[nH]c(CN[C@@H]3C[C@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000745222020 1077781296 /nfs/dbraw/zinc/78/12/96/1077781296.db2.gz SCLWAKBLOXLFIK-ODXCJYRJSA-N 0 3 423.535 2.389 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN(C(=O)CC(C)C)CC2)CC1 ZINC000051650731 1077817679 /nfs/dbraw/zinc/81/76/79/1077817679.db2.gz VJMNLIDTMPDWJJ-UHFFFAOYSA-N 0 3 414.594 2.220 20 0 HEADHN COc1ccccc1[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1nccn1C ZINC000745401203 1077818372 /nfs/dbraw/zinc/81/83/72/1077818372.db2.gz QTFMWFFJVIUPAP-PXNSSMCTSA-N 0 3 415.538 2.270 20 0 HEADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000766959316 1079522368 /nfs/dbraw/zinc/52/23/68/1079522368.db2.gz FCFAXZRMWFMNNR-QIJUGHKUSA-N 0 3 411.550 2.045 20 0 HEADHN CCO[C@@H]1C[C@]2(NC(=O)N(c3ccc(N4CCN(CC)CC4)cc3)C2=O)C1(C)C ZINC000771828935 1079551040 /nfs/dbraw/zinc/55/10/40/1079551040.db2.gz SWQNWDGJZPBXDB-XMSQKQJNSA-N 0 3 400.523 2.459 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cc(OC)ccc3OC)cc2)CC1 ZINC000771915196 1079587959 /nfs/dbraw/zinc/58/79/59/1079587959.db2.gz QRMKWWLGHDIUAP-UHFFFAOYSA-N 0 3 412.490 2.423 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000767095389 1079675291 /nfs/dbraw/zinc/67/52/91/1079675291.db2.gz HDUZIGLFGSAHHM-OALUTQOASA-N 0 3 412.534 2.381 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000772229153 1079751433 /nfs/dbraw/zinc/75/14/33/1079751433.db2.gz XSXCQFURJQVMAR-SFTDATJTSA-N 0 3 421.497 2.206 20 0 HEADHN COCCN1CCC[C@H]1CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000772602814 1080004034 /nfs/dbraw/zinc/00/40/34/1080004034.db2.gz SMHSMFWNZILVGG-ROUUACIJSA-N 0 3 410.559 2.281 20 0 HEADHN CS(=O)(=O)Nc1ccc(N2CCN(CCC(=O)NCC3CCCCC3)CC2)cc1 ZINC000767745731 1080064052 /nfs/dbraw/zinc/06/40/52/1080064052.db2.gz DROFQONGVWCJFJ-UHFFFAOYSA-N 0 3 422.595 2.267 20 0 HEADHN CCOc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)cc1 ZINC000785641174 1080088443 /nfs/dbraw/zinc/08/84/43/1080088443.db2.gz HZXPKKQGAVMXJF-MSOLQXFVSA-N 0 3 402.491 2.144 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2ccc(OC)c(Cl)c2)CC1=O ZINC000785642094 1080089129 /nfs/dbraw/zinc/08/91/29/1080089129.db2.gz NJKQBQMRAQNZMV-HOTGVXAUSA-N 0 3 422.909 2.407 20 0 HEADHN CCOC1CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170048473 1080097856 /nfs/dbraw/zinc/09/78/56/1080097856.db2.gz NZINSTMHJNIGQF-RDJZCZTQSA-N 0 3 413.584 2.398 20 0 HEADHN CCOC(=O)C1C(COC(=O)CN2[C@H](C)CC[C@H]2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000785736335 1080208656 /nfs/dbraw/zinc/20/86/56/1080208656.db2.gz XYGHDNTUSMOSEF-SXGZJXTBSA-N 0 3 415.490 2.274 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCC[C@@]23CCOC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049605 1080212722 /nfs/dbraw/zinc/21/27/22/1080212722.db2.gz CIWUBEMDRQUAPQ-FTRWYGJKSA-N 0 3 411.568 2.152 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCC[C@]23CCOC3)C[C@H]1C(=O)N1CCSC1 ZINC001170049608 1080213150 /nfs/dbraw/zinc/21/31/50/1080213150.db2.gz CIWUBEMDRQUAPQ-TWOQFEAHSA-N 0 3 411.568 2.152 20 0 HEADHN O=C(OCc1nnnn1-c1ccccc1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785709402 1080216512 /nfs/dbraw/zinc/21/65/12/1080216512.db2.gz KRTBVEXFEDEVFU-UHFFFAOYSA-N 0 3 407.474 2.224 20 0 HEADHN C[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000785713832 1080222480 /nfs/dbraw/zinc/22/24/80/1080222480.db2.gz LNCIAHQRQBBRMS-GFCCVEGCSA-N 0 3 401.385 2.216 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H]3COc4ccccc43)cc2)CC1 ZINC000785778685 1080242342 /nfs/dbraw/zinc/24/23/42/1080242342.db2.gz XJSWOLIZBJUHIS-FQEVSTJZSA-N 0 3 409.486 2.486 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000785807725 1080252597 /nfs/dbraw/zinc/25/25/97/1080252597.db2.gz CTEMMISMCVIUGJ-PXNSSMCTSA-N 0 3 411.546 2.240 20 0 HEADHN CN(C)C[C@H]1CCCCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767958819 1080252704 /nfs/dbraw/zinc/25/27/04/1080252704.db2.gz FTVXSQZVUVDQOZ-HQSKLWIPSA-N 0 3 407.555 2.391 20 0 HEADHN Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000768034294 1080276940 /nfs/dbraw/zinc/27/69/40/1080276940.db2.gz KHPZOQDQLUFSQS-UHFFFAOYSA-N 0 3 413.522 2.419 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@]2(O)CCc3ccccc3C2)CC1 ZINC000785852226 1080281676 /nfs/dbraw/zinc/28/16/76/1080281676.db2.gz RKHNYZQXAXOFPY-VWLOTQADSA-N 0 3 407.558 2.360 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCC(Oc4cnccn4)CC3)cc2)CC1 ZINC000785910386 1080307038 /nfs/dbraw/zinc/30/70/38/1080307038.db2.gz FTUDYGBTHQLRSX-UHFFFAOYSA-N 0 3 424.549 2.100 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@](C)(O)c3ccccc3)c2)CC1 ZINC000768073701 1080326594 /nfs/dbraw/zinc/32/65/94/1080326594.db2.gz GXUCFHIWIISCDB-DEOSSOPVSA-N 0 3 424.545 2.179 20 0 HEADHN CC(C)N1CCCN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CC1 ZINC000768146830 1080353409 /nfs/dbraw/zinc/35/34/09/1080353409.db2.gz RQMFPCVWQUZKLD-UHFFFAOYSA-N 0 3 403.708 2.379 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC([C@@H]4CCCO4)CC3)cc2)CC1 ZINC000786005322 1080368280 /nfs/dbraw/zinc/36/82/80/1080368280.db2.gz WZJCJEVFXQJYLK-NRFANRHFSA-N 0 3 414.550 2.185 20 0 HEADHN CN1CCC(NC(=S)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC1 ZINC000786088672 1080388740 /nfs/dbraw/zinc/38/87/40/1080388740.db2.gz FNNHJXLLDIZBHS-UHFFFAOYSA-N 0 3 408.519 2.038 20 0 HEADHN CCN1CCN(C(=O)[C@H](C)N2CCC(CNC(=O)OCc3ccccc3)CC2)CC1 ZINC000786112271 1080405036 /nfs/dbraw/zinc/40/50/36/1080405036.db2.gz GZCMXTAKYZBXBH-IBGZPJMESA-N 0 3 416.566 2.177 20 0 HEADHN C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768252852 1080441308 /nfs/dbraw/zinc/44/13/08/1080441308.db2.gz PRPRSXPZRNCOEA-VGOFRKELSA-N 0 3 423.513 2.488 20 0 HEADHN C[C@@H]1[C@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000786172812 1080478372 /nfs/dbraw/zinc/47/83/72/1080478372.db2.gz CSQRHEOCWFWPOB-HZPDHXFCSA-N 0 3 413.559 2.364 20 0 HEADHN C[C@H](NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)C1=CCN(C)CC1 ZINC000768413126 1080530962 /nfs/dbraw/zinc/53/09/62/1080530962.db2.gz KZFMJZJDNORQKD-MIGBEJBISA-N 0 3 405.539 2.215 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768398653 1080543607 /nfs/dbraw/zinc/54/36/07/1080543607.db2.gz UVVBZDWGBIVZCD-UHFFFAOYSA-N 0 3 420.517 2.047 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H](C)c3c(C)n[nH]c3C)cc2)CC1 ZINC000786321237 1080561788 /nfs/dbraw/zinc/56/17/88/1080561788.db2.gz GLJSRHMBVBLQQE-HNNXBMFYSA-N 0 3 413.522 2.454 20 0 HEADHN CO[C@@H]1CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001170056990 1080570834 /nfs/dbraw/zinc/57/08/34/1080570834.db2.gz ULNWCTZTAPWRQD-NXOAAHMSSA-N 0 3 413.584 2.397 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@H](O)c3cccc(C)c3)c(C)c2)CC1 ZINC000768742080 1080766323 /nfs/dbraw/zinc/76/63/23/1080766323.db2.gz TVZJCBOKCFCFCK-JOCHJYFZSA-N 0 3 424.545 2.234 20 0 HEADHN Cc1cc(-n2cc(COC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)nn2)ccc1F ZINC000786766674 1080809753 /nfs/dbraw/zinc/80/97/53/1080809753.db2.gz KBAFWQKUMDERKH-JSGCOSHPSA-N 0 3 400.332 2.215 20 0 HEADHN C[C@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000786826123 1080826642 /nfs/dbraw/zinc/82/66/42/1080826642.db2.gz QDBUFGUHFOGKHA-FXAWDEMLSA-N 0 3 424.497 2.323 20 0 HEADHN CC(C)Oc1cccc(CNC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000786828003 1080827761 /nfs/dbraw/zinc/82/77/61/1080827761.db2.gz RMCCTPQCYSEGHO-UHFFFAOYSA-N 0 3 409.530 2.305 20 0 HEADHN O=C(COC(=O)CCN1CCc2ccccc2C1)NCCN1CCc2ccccc21 ZINC000786813938 1080840514 /nfs/dbraw/zinc/84/05/14/1080840514.db2.gz BABFWBRRVJNILO-UHFFFAOYSA-N 0 3 407.514 2.157 20 0 HEADHN C[C@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)NC(=O)NCc1ccccc1 ZINC000786815695 1080841566 /nfs/dbraw/zinc/84/15/66/1080841566.db2.gz SJWGLUIYSIVTNQ-KRWDZBQOSA-N 0 3 409.486 2.393 20 0 HEADHN CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)CCN2CCc3ccccc3C2)C1 ZINC000786824165 1080846321 /nfs/dbraw/zinc/84/63/21/1080846321.db2.gz DWTYIAOCFAXIAN-PXNSSMCTSA-N 0 3 416.518 2.168 20 0 HEADHN O=C(Nc1ccc(-n2nccn2)cc1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000768967532 1080868879 /nfs/dbraw/zinc/86/88/79/1080868879.db2.gz NFHKZBUEPAOQFV-NQIIRXRSSA-N 0 3 406.490 2.272 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 ZINC001169997896 1080878972 /nfs/dbraw/zinc/87/89/72/1080878972.db2.gz HCEMCOUJFLLQHV-UHFFFAOYSA-N 0 3 412.534 2.391 20 0 HEADHN C[C@@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786911534 1080880430 /nfs/dbraw/zinc/88/04/30/1080880430.db2.gz ALNVLUDWXMVRAI-XMSQKQJNSA-N 0 3 422.529 2.337 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000769044254 1080893313 /nfs/dbraw/zinc/89/33/13/1080893313.db2.gz XERMPUQSKYMRDS-LJQANCHMSA-N 0 3 404.555 2.395 20 0 HEADHN CC(=O)Nc1ccccc1CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192196 1080967894 /nfs/dbraw/zinc/96/78/94/1080967894.db2.gz HZXBFZIMKGEUDK-GOSISDBHSA-N 0 3 418.538 2.498 20 0 HEADHN Cc1cccn2c(CN3CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)cnc12 ZINC000769192625 1080967952 /nfs/dbraw/zinc/96/79/52/1080967952.db2.gz MTFVWHBEOGDGOM-QGZVFWFLSA-N 0 3 415.538 2.496 20 0 HEADHN CCN(CCO)CCNC(=O)Nc1ccc(-c2nnc3n2CCCCCC3)cc1 ZINC000769222564 1081007013 /nfs/dbraw/zinc/00/70/13/1081007013.db2.gz NLDQPLMCAPXNGZ-UHFFFAOYSA-N 0 3 400.527 2.497 20 0 HEADHN C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOCc2ccccc2)O1 ZINC001109443091 1081010686 /nfs/dbraw/zinc/01/06/86/1081010686.db2.gz VJWFIZOMPDOJGE-MBMVPVEPSA-N 0 3 401.551 2.034 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1cn(C)nc1-c1ccncc1 ZINC000769332288 1081045356 /nfs/dbraw/zinc/04/53/56/1081045356.db2.gz KCJNUEOGKOZKJN-UHFFFAOYSA-N 0 3 414.554 2.467 20 0 HEADHN Cc1nn(C)c(N2CCOCC2)c1CN1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335835 1081046279 /nfs/dbraw/zinc/04/62/79/1081046279.db2.gz YOIJYNRKCDWAAU-KRWDZBQOSA-N 0 3 407.559 2.254 20 0 HEADHN Cc1nn(C)c(N2CCOCC2)c1CN1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000769335836 1081046370 /nfs/dbraw/zinc/04/63/70/1081046370.db2.gz YOIJYNRKCDWAAU-QGZVFWFLSA-N 0 3 407.559 2.254 20 0 HEADHN CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000769450476 1081083981 /nfs/dbraw/zinc/08/39/81/1081083981.db2.gz DHTMRFOYJOFUDW-SWLSCSKDSA-N 0 3 405.442 2.292 20 0 HEADHN CCOc1cc(CNC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccc1OC(F)F ZINC000787298392 1081098318 /nfs/dbraw/zinc/09/83/18/1081098318.db2.gz KRDLTQOIJYNFLY-AWEZNQCLSA-N 0 3 413.465 2.294 20 0 HEADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164635914 719138571 /nfs/dbraw/zinc/13/85/71/719138571.db2.gz XOEGLLUWVMKIKW-AWEZNQCLSA-N 0 3 400.788 2.432 20 0 HEADHN COC[C@@H]1CN(CC2CC2)C[C@]12CCN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164815996 720156105 /nfs/dbraw/zinc/15/61/05/720156105.db2.gz JPSOTIMZDSMGSD-KXBFYZLASA-N 0 3 413.971 2.323 20 0 HEADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745742 720626987 /nfs/dbraw/zinc/62/69/87/720626987.db2.gz WHBGMSRMHYRQLG-RBUKOAKNSA-N 0 3 422.533 2.276 20 0 HEADHN COC(=O)c1ccc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164739682 720675876 /nfs/dbraw/zinc/67/58/76/720675876.db2.gz OSQNKUUMRVLWQY-ZWKOTPCHSA-N 0 3 405.458 2.153 20 0 HEADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743711 720704066 /nfs/dbraw/zinc/70/40/66/720704066.db2.gz XUVQMMITYTYOIF-UXHICEINSA-N 0 3 416.485 2.466 20 0 HEADHN Clc1nc2c(Cl)nccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737750 720753998 /nfs/dbraw/zinc/75/39/98/720753998.db2.gz CLRZBCBQAOXTGG-NEPJUHHUSA-N 0 3 418.288 2.464 20 0 HEADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)n1 ZINC001164750016 720789085 /nfs/dbraw/zinc/78/90/85/720789085.db2.gz UZUZEOWPBFNSNM-IRXDYDNUSA-N 0 3 407.478 2.387 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@]3(C(=O)NCCc3ccccc3)C2)nc1)C1CC1 ZINC001164849303 720817218 /nfs/dbraw/zinc/81/72/18/720817218.db2.gz FLCDFXCFGKYLTD-BWKNWUBXSA-N 0 3 420.557 2.488 20 0 HEADHN COC(=O)c1ccc(Cl)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870937 721044634 /nfs/dbraw/zinc/04/46/34/721044634.db2.gz XNFZDGMEQDOYEN-CVEARBPZSA-N 0 3 402.882 2.396 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164762297 721066507 /nfs/dbraw/zinc/06/65/07/721066507.db2.gz DVDRCBCYJCSTAV-KNKQGSTJSA-N 0 3 409.534 2.182 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164762294 721066625 /nfs/dbraw/zinc/06/66/25/721066625.db2.gz DVDRCBCYJCSTAV-DXIQSLLYSA-N 0 3 409.534 2.182 20 0 HEADHN Cn1cccc1C(=O)N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@@H]2CCCO[C@H]12 ZINC001164773786 721068010 /nfs/dbraw/zinc/06/80/10/721068010.db2.gz YKJBSNISTNJFAC-SFHLNBCPSA-N 0 3 409.534 2.182 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc21 ZINC001164865901 721069380 /nfs/dbraw/zinc/06/93/80/721069380.db2.gz BLZZGUBBSQKHOW-ROUUACIJSA-N 0 3 419.485 2.291 20 0 HEADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865367 721088432 /nfs/dbraw/zinc/08/84/32/721088432.db2.gz KKYMUAGOHYMWCQ-OALUTQOASA-N 0 3 423.517 2.405 20 0 HEADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164865507 721090157 /nfs/dbraw/zinc/09/01/57/721090157.db2.gz MDLUCHZTWWHELF-UXHICEINSA-N 0 3 409.534 2.485 20 0 HEADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)C[C@H]3C2)cn1 ZINC001164774479 721226160 /nfs/dbraw/zinc/22/61/60/721226160.db2.gz ZSVYDRYYVMTCEQ-CHWSQXEVSA-N 0 3 419.320 2.418 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](C(=O)NCc4ccco4)[C@@H]3C2)nc1)C1CC1 ZINC001164766163 721257123 /nfs/dbraw/zinc/25/71/23/721257123.db2.gz SHIKWEAJWKMPRK-UIFIKXQLSA-N 0 3 410.518 2.284 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164766638 721257793 /nfs/dbraw/zinc/25/77/93/721257793.db2.gz VCYDBFSEMZMNQK-CEWLAPEOSA-N 0 3 410.518 2.286 20 0 HEADHN COc1cc(N2CCC3(CC2)COCCN(CC(=O)N(C)C)C3)nc2ccccc21 ZINC001164873475 721280702 /nfs/dbraw/zinc/28/07/02/721280702.db2.gz MVUNPBHGCUPGGH-UHFFFAOYSA-N 0 3 412.534 2.250 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@H]2OCC[C@H]21 ZINC001164877423 721304315 /nfs/dbraw/zinc/30/43/15/721304315.db2.gz IRKXJEIVYAPGJB-BHDDXSALSA-N 0 3 421.545 2.230 20 0 HEADHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]2C1 ZINC001164879541 721309538 /nfs/dbraw/zinc/30/95/38/721309538.db2.gz NIDLWTUHPGDDOW-WOJBJXKFSA-N 0 3 412.559 2.434 20 0 HEADHN CCN(CC)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164885610 721424308 /nfs/dbraw/zinc/42/43/08/721424308.db2.gz GSTBQLYEDVCQHU-SIKLNZKXSA-N 0 3 402.587 2.088 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(N5CCCCC5)ncn4)C3)O2)CC1 ZINC001164891602 721433488 /nfs/dbraw/zinc/43/34/88/721433488.db2.gz HHLAOMLFRYIVPT-REWPJTCUSA-N 0 3 414.598 2.232 20 0 HEADHN O=C([C@@H]1CCO[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]21)N1CCCO1 ZINC001164793286 721483269 /nfs/dbraw/zinc/48/32/69/721483269.db2.gz UDJPMBGARMIYSX-VAMGGRTRSA-N 0 3 400.523 2.073 20 0 HEADHN CCOC(=O)c1cc(C)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164896262 721523971 /nfs/dbraw/zinc/52/39/71/721523971.db2.gz AEKVAHYMMYAYCH-SJLPKXTDSA-N 0 3 400.454 2.443 20 0 HEADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164908229 721530344 /nfs/dbraw/zinc/53/03/44/721530344.db2.gz POALPXCXFKFBDD-WMZOPIPTSA-N 0 3 400.454 2.443 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909902 721542730 /nfs/dbraw/zinc/54/27/30/721542730.db2.gz SKNKAVDENGCRTN-DZGCQCFKSA-N 0 3 402.857 2.459 20 0 HEADHN CCOC(=O)c1cnc2cc(N3CCCC34CCN(CC(=O)N(C)C)CC4)[nH]cc1-2 ZINC001165010444 721743733 /nfs/dbraw/zinc/74/37/33/721743733.db2.gz MLLPWDQYRSGMJR-UHFFFAOYSA-N 0 3 413.522 2.263 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(CN5CCCC5)cn4)C[C@H]32)cc1 ZINC001165016146 721796521 /nfs/dbraw/zinc/79/65/21/721796521.db2.gz CFPCXIUDDIYJRW-YADHBBJMSA-N 0 3 422.529 2.302 20 0 HEADHN CN(Cc1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)nc1)C1CC1 ZINC001165049943 721981323 /nfs/dbraw/zinc/98/13/23/721981323.db2.gz PLACVIMXYYEDGZ-NRFANRHFSA-N 0 3 408.502 2.164 20 0 HEADHN O=C(c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)N1CCCC1 ZINC001164981429 722099282 /nfs/dbraw/zinc/09/92/82/722099282.db2.gz LLVVLQIKZOWVDZ-RBBKRZOGSA-N 0 3 421.545 2.440 20 0 HEADHN Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C(N)=O ZINC001164985153 722101973 /nfs/dbraw/zinc/10/19/73/722101973.db2.gz VCGDMYBUDGHHQU-DLBZAZTESA-N 0 3 415.925 2.265 20 0 HEADHN COc1cnc(SC)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984359 722102483 /nfs/dbraw/zinc/10/24/83/722102483.db2.gz SUFITKBBKVFUSS-AEFFLSMTSA-N 0 3 401.536 2.329 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2[nH]1 ZINC001164978242 722109041 /nfs/dbraw/zinc/10/90/41/722109041.db2.gz OAMRASXJOREFNI-HOTGVXAUSA-N 0 3 413.913 2.437 20 0 HEADHN O=C(NC1CC1)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164982003 722123391 /nfs/dbraw/zinc/12/33/91/722123391.db2.gz VPZMTIPEMSQMGB-CTNGQTDRSA-N 0 3 407.518 2.096 20 0 HEADHN CNC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164978336 722126983 /nfs/dbraw/zinc/12/69/83/722126983.db2.gz OKVGIOBYNBVBQN-FUHWJXTLSA-N 0 3 415.925 2.217 20 0 HEADHN CCCNC(=O)c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972825 722140519 /nfs/dbraw/zinc/14/05/19/722140519.db2.gz ATVHWMGRCNJMEU-TZIWHRDSSA-N 0 3 409.534 2.344 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984670 722149076 /nfs/dbraw/zinc/14/90/76/722149076.db2.gz YINWBSJNHYFQPO-JKSUJKDBSA-N 0 3 417.897 2.039 20 0 HEADHN c1coc(CN=c2ccnc([C@H]3COCCN3)n2-c2ccc(CN3CCCC3)cn2)c1 ZINC001164987847 722172970 /nfs/dbraw/zinc/17/29/70/722172970.db2.gz OXJDYZSKMQVGQF-HXUWFJFHSA-N 0 3 420.517 2.218 20 0 HEADHN CCCn1c(Nc2nc(CN)ccc2NC(=O)C(C)(C)C)cc(=O)n(CCC)c1=O ZINC001170007795 1078476026 /nfs/dbraw/zinc/47/60/26/1078476026.db2.gz XIDPXZNZEDIZCU-UHFFFAOYSA-N 0 3 416.526 2.412 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)N/C=C1\c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000769726842 1078538090 /nfs/dbraw/zinc/53/80/90/1078538090.db2.gz QBMPJGXDSFMKNJ-KOXKPCSVSA-N 0 3 419.529 2.225 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000745780767 1078640790 /nfs/dbraw/zinc/64/07/90/1078640790.db2.gz VEMNDDNHCIMUHU-RTBURBONSA-N 0 3 415.582 2.447 20 0 HEADHN C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1cccc(N2CCOC2=O)c1 ZINC000745783076 1078641378 /nfs/dbraw/zinc/64/13/78/1078641378.db2.gz YPCZYQVPCZODKG-VQIMIIECSA-N 0 3 404.511 2.456 20 0 HEADHN C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1cccc(N2CCOC2=O)c1 ZINC000745783073 1078641417 /nfs/dbraw/zinc/64/14/17/1078641417.db2.gz YPCZYQVPCZODKG-LPHOPBHVSA-N 0 3 404.511 2.456 20 0 HEADHN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001109545555 1078644900 /nfs/dbraw/zinc/64/49/00/1078644900.db2.gz AXAWMGUEBUXWTA-KQXGTCBSSA-N 0 3 400.519 2.229 20 0 HEADHN CN1CCN(c2ccccc2NC(=O)NCc2nc(COc3ccccc3)n[nH]2)CC1 ZINC000769955996 1078651278 /nfs/dbraw/zinc/65/12/78/1078651278.db2.gz NCEOHZJSRYPCDT-UHFFFAOYSA-N 0 3 421.505 2.457 20 0 HEADHN CCc1ccc(N2CCN(C(=O)NC[C@H](C)CN3CCN(CC)CC3)CC2)cc1 ZINC000745863842 1078667389 /nfs/dbraw/zinc/66/73/89/1078667389.db2.gz YLCVSLVMQTVPKX-FQEVSTJZSA-N 0 3 401.599 2.354 20 0 HEADHN CCOC(=O)N1CC[C@@H](N[C@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)C1 ZINC000769987402 1078675233 /nfs/dbraw/zinc/67/52/33/1078675233.db2.gz LYJFKYITNOODFX-RTBURBONSA-N 0 3 422.957 2.399 20 0 HEADHN C[C@@H](CNC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1)CN1CCN(C)CC1 ZINC000745861212 1078676317 /nfs/dbraw/zinc/67/63/17/1078676317.db2.gz AMYLJNDSNKAKCJ-UWJYYQICSA-N 0 3 406.546 2.164 20 0 HEADHN C[C@H](CNC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl)CN1CCN(C)CC1 ZINC000745861701 1078677052 /nfs/dbraw/zinc/67/70/52/1078677052.db2.gz DQMNDYIXRLHYBJ-DYVFJYSZSA-N 0 3 403.354 2.210 20 0 HEADHN CCOC(=O)c1nnc(C2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)[n-]1 ZINC000770034427 1078698363 /nfs/dbraw/zinc/69/83/63/1078698363.db2.gz PUKTVNQBGKFKFE-CQSZACIVSA-N 0 3 407.515 2.418 20 0 HEADHN CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000770034427 1078698366 /nfs/dbraw/zinc/69/83/66/1078698366.db2.gz PUKTVNQBGKFKFE-CQSZACIVSA-N 0 3 407.515 2.418 20 0 HEADHN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000745928499 1078700329 /nfs/dbraw/zinc/70/03/29/1078700329.db2.gz ODUQUUFKDAIJPW-QFIPXVFZSA-N 0 3 420.554 2.226 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)[C@@H](c1ccccc1)N(C)C ZINC000770044073 1078702360 /nfs/dbraw/zinc/70/23/60/1078702360.db2.gz COEAMJRWCMVLSJ-ITSWEJNFSA-N 0 3 408.502 2.261 20 0 HEADHN COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)cn1C ZINC000745937145 1078703802 /nfs/dbraw/zinc/70/38/02/1078703802.db2.gz DBAGRIGFHBFAJI-KRWDZBQOSA-N 0 3 405.520 2.002 20 0 HEADHN COc1cccc(OC)c1OC[C@@H](O)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945564 1078709066 /nfs/dbraw/zinc/70/90/66/1078709066.db2.gz VRRGYEDSMAUYSH-CVEARBPZSA-N 0 3 410.511 2.385 20 0 HEADHN O=C(NCc1ccccc1CN1CCC(O)CC1)c1cnn(-c2ccc(F)cc2)n1 ZINC000746011167 1078732025 /nfs/dbraw/zinc/73/20/25/1078732025.db2.gz GOVBGNDDLAENLP-UHFFFAOYSA-N 0 3 409.465 2.293 20 0 HEADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)C1 ZINC000746046368 1078756574 /nfs/dbraw/zinc/75/65/74/1078756574.db2.gz OACGFPLFLCLBMF-KRWDZBQOSA-N 0 3 409.486 2.440 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 ZINC000770171678 1078766693 /nfs/dbraw/zinc/76/66/93/1078766693.db2.gz CQEDKTGZDBMLAQ-NDDJGDGRSA-N 0 3 412.578 2.081 20 0 HEADHN CCOC(=O)N1[C@H](C(=O)N[C@H](C)CCN2CCN(C)CC2)CC[C@H]1c1ccc(C)o1 ZINC000770171661 1078766722 /nfs/dbraw/zinc/76/67/22/1078766722.db2.gz CLFGMFDXLINDQT-NEWSRXKRSA-N 0 3 420.554 2.392 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770175371 1078770521 /nfs/dbraw/zinc/77/05/21/1078770521.db2.gz XGDJCAPFVLWJOD-FPOVZHCZSA-N 0 3 416.566 2.177 20 0 HEADHN CCOC(=O)N1CC[C@H](Nc2cc(N[C@H]3CCN(C(=O)OCC)C3)nc(C)n2)C1 ZINC000770221509 1078772623 /nfs/dbraw/zinc/77/26/23/1078772623.db2.gz LGWFNRQKGZCTEW-GJZGRUSLSA-N 0 3 406.487 2.070 20 0 HEADHN COc1cccc(Cc2cnc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)s2)c1 ZINC000746135677 1078802404 /nfs/dbraw/zinc/80/24/04/1078802404.db2.gz WZLFYNFGNAPSDH-OAHLLOKOSA-N 0 3 402.520 2.091 20 0 HEADHN Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000746113440 1078792600 /nfs/dbraw/zinc/79/26/00/1078792600.db2.gz JQLATRVOQSYYPA-LJQANCHMSA-N 0 3 422.529 2.274 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000770274698 1078802597 /nfs/dbraw/zinc/80/25/97/1078802597.db2.gz QMMRFNQLKHFRKX-WBVHZDCISA-N 0 3 405.470 2.065 20 0 HEADHN Cc1ncc(CN[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)s1 ZINC001170014038 1078825842 /nfs/dbraw/zinc/82/58/42/1078825842.db2.gz MKUADUWBXQJEAV-ZFWWWQNUSA-N 0 3 412.581 2.452 20 0 HEADHN CN1C(=S)N=NC1C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000746224536 1078826294 /nfs/dbraw/zinc/82/62/94/1078826294.db2.gz OPIXPKIKZZSAIW-UHFFFAOYSA-N 0 3 414.579 2.022 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)Cc3cccc(N(C)C)c3)cc2)CC1 ZINC000770295832 1078819966 /nfs/dbraw/zinc/81/99/66/1078819966.db2.gz CPUKMELNHHLNIS-UHFFFAOYSA-N 0 3 423.561 2.492 20 0 HEADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C(O)(c1ccccc1)c1ccccc1 ZINC000746220696 1078825310 /nfs/dbraw/zinc/82/53/10/1078825310.db2.gz YLOWIKAVKBTKDA-XMMPIXPASA-N 0 3 416.521 2.458 20 0 HEADHN CN(C)CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)c1ccccc1 ZINC000746278644 1078842474 /nfs/dbraw/zinc/84/24/74/1078842474.db2.gz NJGSZAXGVQIFEU-JOCHJYFZSA-N 0 3 412.465 2.188 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCc1ccc(Br)cc1F ZINC000770405910 1078843425 /nfs/dbraw/zinc/84/34/25/1078843425.db2.gz OUSFTZMPVJOYJA-AWEZNQCLSA-N 0 3 415.351 2.456 20 0 HEADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCn2c(CCc3ccccc3)nnc2C1 ZINC000746300011 1078846722 /nfs/dbraw/zinc/84/67/22/1078846722.db2.gz SJWSOQLOFSIFFV-UHFFFAOYSA-N 0 3 423.561 2.441 20 0 HEADHN Cc1nn(C)c(N2CCOCC2)c1CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000770386242 1078849353 /nfs/dbraw/zinc/84/93/53/1078849353.db2.gz MDRWWLVXFUDBIA-DOTOQJQBSA-N 0 3 407.559 2.300 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)CC1 ZINC000766345912 1078875877 /nfs/dbraw/zinc/87/58/77/1078875877.db2.gz WCTMUTRXZQXFEA-QWGSZXSUSA-N 0 3 411.424 2.363 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766347543 1078891080 /nfs/dbraw/zinc/89/10/80/1078891080.db2.gz ODFSJWZZGWCDEG-CTNGQTDRSA-N 0 3 416.566 2.177 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770602120 1078903270 /nfs/dbraw/zinc/90/32/70/1078903270.db2.gz QSABTRLCZHZLLY-CTNGQTDRSA-N 0 3 416.566 2.035 20 0 HEADHN Cc1cc(Br)cc2c1N(CN1C(=O)NC3(CCN(C)CC3)C1=O)CCC2 ZINC000766355933 1078911014 /nfs/dbraw/zinc/91/10/14/1078911014.db2.gz PEPWBLZRWFJASX-UHFFFAOYSA-N 0 3 421.339 2.484 20 0 HEADHN Cc1ccc([C@H](CNC(=O)NNC(=O)c2cc(Br)c[nH]2)N(C)C)cc1 ZINC000065467269 1078919120 /nfs/dbraw/zinc/91/91/20/1078919120.db2.gz WWEGYRGLWBTWCC-HNNXBMFYSA-N 0 3 408.300 2.333 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)CCN1CCOC ZINC000766383170 1078931838 /nfs/dbraw/zinc/93/18/38/1078931838.db2.gz WZACKDYILOJTBX-NZQKXSOJSA-N 0 3 401.551 2.402 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(Cl)c3)C2=O)CCN1CCOC ZINC000766372955 1078938840 /nfs/dbraw/zinc/93/88/40/1078938840.db2.gz DSSDWTNRHFXERL-NQIIRXRSSA-N 0 3 422.957 2.497 20 0 HEADHN Cc1nn(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374827 1078941722 /nfs/dbraw/zinc/94/17/22/1078941722.db2.gz JIIWLFASQIMBLU-SJORKVTESA-N 0 3 416.595 2.363 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3c(C)noc3C)cc2)CC1 ZINC000804273113 1078951279 /nfs/dbraw/zinc/95/12/79/1078951279.db2.gz ONOXACJVFCEKNF-UHFFFAOYSA-N 0 3 400.479 2.158 20 0 HEADHN C[C@H]1CN(c2ccc(NC(=O)CN(CC(C)(C)O)C3CCOCC3)cc2)C[C@H](C)O1 ZINC000746461929 1079015323 /nfs/dbraw/zinc/01/53/23/1079015323.db2.gz GJDICDDHDSCUTO-ROUUACIJSA-N 0 3 419.566 2.491 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCC(C)CC2)cc1 ZINC000770799607 1079022194 /nfs/dbraw/zinc/02/21/94/1079022194.db2.gz IDFCKDBQYSEFBK-IBGZPJMESA-N 0 3 415.582 2.004 20 0 HEADHN COc1cc([C@@H](C)NCCN2CCC(OC)CC2)ccc1S(=O)(=O)C(F)F ZINC000766514037 1079053179 /nfs/dbraw/zinc/05/31/79/1079053179.db2.gz DEYZINITFNQLHX-CYBMUJFWSA-N 0 3 406.495 2.453 20 0 HEADHN C[C@H]1C[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)CN1C(=O)OC(C)(C)C ZINC001168861134 1079056020 /nfs/dbraw/zinc/05/60/20/1079056020.db2.gz WTGVLUZJINNDIO-XFUTXVRSSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@H]1C[C@H](N2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844813 1079059960 /nfs/dbraw/zinc/05/99/60/1079059960.db2.gz DSCVBWAJAZRVNK-LTFXXXRZSA-N 0 3 407.555 2.486 20 0 HEADHN COc1ccc(CN2CC[C@H](NCc3ccc4c(c3)N(C)C(=O)CO4)CC2=O)cc1 ZINC001168914470 1079074779 /nfs/dbraw/zinc/07/47/79/1079074779.db2.gz CZUXRWHCMJOMFS-SFHVURJKSA-N 0 3 409.486 2.331 20 0 HEADHN COCCO[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC001168951050 1079085275 /nfs/dbraw/zinc/08/52/75/1079085275.db2.gz VVKTUYASLRUGIO-AWEZNQCLSA-N 0 3 409.552 2.182 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(c4ccnc(OC)c4)CC3)CC2=O)cc1 ZINC001168954999 1079089955 /nfs/dbraw/zinc/08/99/55/1079089955.db2.gz PGOYRFNEPUHTTE-HXUWFJFHSA-N 0 3 410.518 2.412 20 0 HEADHN Cc1nn(C(C)(C)C)cc1[C@@H](C)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001168968719 1079093253 /nfs/dbraw/zinc/09/32/53/1079093253.db2.gz MPKYCEFEOWWGBG-CYBMUJFWSA-N 0 3 407.540 2.273 20 0 HEADHN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771040478 1079112957 /nfs/dbraw/zinc/11/29/57/1079112957.db2.gz QAOCZWZAQFUVAX-WOJBJXKFSA-N 0 3 417.550 2.492 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000771039990 1079113018 /nfs/dbraw/zinc/11/30/18/1079113018.db2.gz OXCHYQYNTKTFAT-AEFFLSMTSA-N 0 3 405.926 2.058 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149871 1079166625 /nfs/dbraw/zinc/16/66/25/1079166625.db2.gz OXIMTKKHUABEGK-VQTJNVASSA-N 0 3 416.566 2.237 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCC[C@H]1c1nccs1 ZINC001169207644 1079195773 /nfs/dbraw/zinc/19/57/73/1079195773.db2.gz LEXKFUQPSHDLPC-CABCVRRESA-N 0 3 416.551 2.286 20 0 HEADHN COc1cncc(CCNc2nccc(CN3CC[C@@H](CO)C3)c2C(OC)OC)c1 ZINC001169263836 1079206246 /nfs/dbraw/zinc/20/62/46/1079206246.db2.gz YPAQRRGUWZJRLS-QGZVFWFLSA-N 0 3 416.522 2.245 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000766652492 1079220727 /nfs/dbraw/zinc/22/07/27/1079220727.db2.gz QACZBTJMZKLNPR-LIRRHRJNSA-N 0 3 417.481 2.463 20 0 HEADHN CCOC(=O)c1sc2[nH]c([C@H](C)N[C@@H]3CCC[C@@H]3C(=O)NC)nc(=O)c2c1C ZINC001169274075 1079215306 /nfs/dbraw/zinc/21/53/06/1079215306.db2.gz WUACMDAFWBTHIA-SDDRHHMPSA-N 0 3 406.508 2.035 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169346055 1079233190 /nfs/dbraw/zinc/23/31/90/1079233190.db2.gz DACWCZZWWGFUSO-QRTARXTBSA-N 0 3 402.447 2.129 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CO1 ZINC001169384865 1079256963 /nfs/dbraw/zinc/25/69/63/1079256963.db2.gz HETPHAJLEJHXLA-OALUTQOASA-N 0 3 401.507 2.007 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)CO1 ZINC001169388381 1079258893 /nfs/dbraw/zinc/25/88/93/1079258893.db2.gz QFINJPBJNQTPDD-MSOLQXFVSA-N 0 3 421.563 2.377 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCC4CCOCC4)CO3)C2)CO1 ZINC001169392705 1079262898 /nfs/dbraw/zinc/26/28/98/1079262898.db2.gz BBHBGCUTJLQCHM-ITTUMRLJSA-N 0 3 411.539 2.164 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)CO1 ZINC001169397949 1079270230 /nfs/dbraw/zinc/27/02/30/1079270230.db2.gz OPQATSVFLDEUCV-ZCNNSNEGSA-N 0 3 400.519 2.435 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC[C@@]3(C[C@H](Oc4ncccc4F)CO3)C2)CO1 ZINC001169400188 1079274130 /nfs/dbraw/zinc/27/41/30/1079274130.db2.gz YLYIBTOITLOWHT-RBPRZQKGSA-N 0 3 408.470 2.334 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394734 1079266825 /nfs/dbraw/zinc/26/68/25/1079266825.db2.gz FOXFACYANVGSEI-HIUFNZKISA-N 0 3 404.507 2.251 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 ZINC000771294240 1079268793 /nfs/dbraw/zinc/26/87/93/1079268793.db2.gz DERPMAVDPXUQQF-UHFFFAOYSA-N 0 3 401.555 2.029 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000771306017 1079276603 /nfs/dbraw/zinc/27/66/03/1079276603.db2.gz WSEFHHUQDGJPTO-UHFFFAOYSA-N 0 3 415.582 2.419 20 0 HEADHN CCOC(=O)N1CC[C@H](NC(=O)NCC2(N3CCOC(C)(C)C3)CCCCC2)C1 ZINC000771319767 1079284442 /nfs/dbraw/zinc/28/44/42/1079284442.db2.gz LMZXYXTXAIFWFN-KRWDZBQOSA-N 0 3 410.559 2.330 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)NC(C)(C)CCN3CCN(C)CC3)C2=O)cc1 ZINC000771326740 1079288204 /nfs/dbraw/zinc/28/82/04/1079288204.db2.gz LDBDSOOSLCBFSB-FQEVSTJZSA-N 0 3 415.582 2.206 20 0 HEADHN CC(C)OCCN1CCC(NC(=O)NC2CCC(O)(c3cccnc3)CC2)CC1 ZINC000771330432 1079290367 /nfs/dbraw/zinc/29/03/67/1079290367.db2.gz HYSALJXBEBXADD-UHFFFAOYSA-N 0 3 404.555 2.400 20 0 HEADHN COc1ccc(OC)c([C@H](O)CNC(=O)CNc2ccncc2-c2ccccc2)c1 ZINC001169445085 1079294790 /nfs/dbraw/zinc/29/47/90/1079294790.db2.gz NOGTWUDRTSXPTC-OAQYLSRUSA-N 0 3 407.470 2.449 20 0 HEADHN CCN(CC)C(=O)C[C@@H](C)N1CC[C@H]2C(=O)N(Cc3csc(C)n3)CCO[C@H]2C1 ZINC001169473976 1079312113 /nfs/dbraw/zinc/31/21/13/1079312113.db2.gz HOFDQQIYAHCBCE-LZQZEXGQSA-N 0 3 422.595 2.148 20 0 HEADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169527864 1079324134 /nfs/dbraw/zinc/32/41/34/1079324134.db2.gz QZBHETYDXIAJCT-XYJFISCASA-N 0 3 421.588 2.442 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001169542259 1079327254 /nfs/dbraw/zinc/32/72/54/1079327254.db2.gz VNQUSLUUXVAAQJ-ATZDWAIDSA-N 0 3 401.507 2.500 20 0 HEADHN CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CC[C@]3(C2)OCc2ccccc23)CCC1 ZINC001169603691 1079341700 /nfs/dbraw/zinc/34/17/00/1079341700.db2.gz DCPDBEVFMQADIB-UYAOXDASSA-N 0 3 408.564 2.119 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccc(C)nc2Br)CC1 ZINC000771508963 1079365402 /nfs/dbraw/zinc/36/54/02/1079365402.db2.gz DEBPEJGQQNCQFY-UHFFFAOYSA-N 0 3 412.332 2.170 20 0 HEADHN CCOC(=O)N1CCC[C@@H](N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C2)CC1 ZINC001169710194 1079381226 /nfs/dbraw/zinc/38/12/26/1079381226.db2.gz MSLSLPJJWFVJBY-FOIQADDNSA-N 0 3 413.515 2.140 20 0 HEADHN CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000771610924 1079396248 /nfs/dbraw/zinc/39/62/48/1079396248.db2.gz NVRSDGIPPJIOSS-QZTJIDSGSA-N 0 3 419.522 2.224 20 0 HEADHN Cc1noc(C)c1CN1CCO[C@H]2CN([C@@H]3CCCN(C(=O)c4ccccc4)C3)C[C@H]21 ZINC001169773652 1079409697 /nfs/dbraw/zinc/40/96/97/1079409697.db2.gz RZASSGIZUYVWJD-MZYLBHOOSA-N 0 3 424.545 2.481 20 0 HEADHN CN(Cc1ccccc1)C(=O)Cc1noc([C@@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000771646924 1079421159 /nfs/dbraw/zinc/42/11/59/1079421159.db2.gz SRHNIKJOFYDIFQ-HSZRJFAPSA-N 0 3 406.486 2.364 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000771655587 1079426557 /nfs/dbraw/zinc/42/65/57/1079426557.db2.gz BDGDIEHRRDQDQN-CQSZACIVSA-N 0 3 422.986 2.029 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1sccc1NC(=O)c1ccncc1 ZINC000771658809 1079429989 /nfs/dbraw/zinc/42/99/89/1079429989.db2.gz VWGRGODLUFVMRL-OAHLLOKOSA-N 0 3 401.536 2.151 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000771663811 1079433644 /nfs/dbraw/zinc/43/36/44/1079433644.db2.gz SOIKNAIZLWQGFL-SFHVURJKSA-N 0 3 405.564 2.240 20 0 HEADHN Cc1nc(CN2CC[C@]3(CCN(C4CCC(S(C)(=O)=O)CC4)C3)C2=O)cs1 ZINC001169879567 1079452462 /nfs/dbraw/zinc/45/24/62/1079452462.db2.gz DTCCFKFLUSXVHA-FAFZWHIHSA-N 0 3 411.593 2.232 20 0 HEADHN Cc1nc(CN2CC[C@@]3(CCN(C4CCC(S(C)(=O)=O)CC4)C3)C2=O)cs1 ZINC001169879569 1079453336 /nfs/dbraw/zinc/45/33/36/1079453336.db2.gz DTCCFKFLUSXVHA-TVPLGVNVSA-N 0 3 411.593 2.232 20 0 HEADHN CC(C)CN1C[C@@H]2CN(CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CCN2C1=O ZINC001169934065 1079480982 /nfs/dbraw/zinc/48/09/82/1079480982.db2.gz WLOHPCCLMIWIFX-DKTYTTGXSA-N 0 3 409.571 2.327 20 0 HEADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cnn(-c2ccc(F)cc2)n1 ZINC000737816361 1075930868 /nfs/dbraw/zinc/93/08/68/1075930868.db2.gz IOORTYRWQZFDMG-SFHVURJKSA-N 0 3 417.485 2.286 20 0 HEADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC(n2ccnc2)CC1 ZINC000738109597 1075964695 /nfs/dbraw/zinc/96/46/95/1075964695.db2.gz GWZWPQQFJWAESL-QHCPKHFHSA-N 0 3 422.533 2.064 20 0 HEADHN Cn1c(=O)cc(Nc2cccc3cc([C@H]4CNCCO4)cn32)n(-c2ccccc2)c1=O ZINC001169959694 1079494997 /nfs/dbraw/zinc/49/49/97/1079494997.db2.gz BQAOOJKKWHMUOD-LJQANCHMSA-N 0 3 417.469 2.193 20 0 HEADHN Cc1nn(CN2CCN(C(=O)CN3CCCC3)CC2)c(=S)n1-c1ccccc1C ZINC000738155208 1075969961 /nfs/dbraw/zinc/96/99/61/1075969961.db2.gz DPDAAEMYJVPFDL-UHFFFAOYSA-N 0 3 414.579 2.218 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2nc(Cc3cccc(F)c3)oc2=S)CC1 ZINC000738157688 1075970384 /nfs/dbraw/zinc/97/03/84/1075970384.db2.gz YQIDLGLVLUZSAD-UHFFFAOYSA-N 0 3 419.526 2.133 20 0 HEADHN Cc1ccccc1-c1nn(CN2CCN(C(=O)CN3CCCC3)CC2)c(=S)o1 ZINC000738160331 1075970770 /nfs/dbraw/zinc/97/07/70/1075970770.db2.gz IKTQDORNDMJKIG-UHFFFAOYSA-N 0 3 401.536 2.379 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000738286584 1075979685 /nfs/dbraw/zinc/97/96/85/1075979685.db2.gz XLOGAXKJNIRFBY-VQIMIIECSA-N 0 3 423.355 2.446 20 0 HEADHN Cc1ccc2c(CN3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)cc(=O)oc2c1 ZINC000738318221 1075988973 /nfs/dbraw/zinc/98/89/73/1075988973.db2.gz BASPPJLVFUCNBV-UHFFFAOYSA-N 0 3 411.502 2.037 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCC(C)CC1 ZINC000739083307 1076033136 /nfs/dbraw/zinc/03/31/36/1076033136.db2.gz XLVCBNJNWCLSPH-QZTJIDSGSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCC[C@@H](C)C1 ZINC000739066963 1076036238 /nfs/dbraw/zinc/03/62/38/1076036238.db2.gz JZAFCQUTRVKGTH-KZNAEPCWSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCCC[C@H]1C ZINC000739073414 1076038164 /nfs/dbraw/zinc/03/81/64/1076038164.db2.gz ZVAGXXDORYYHNS-FGTMMUONSA-N 0 3 402.539 2.229 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1 ZINC000739084106 1076041377 /nfs/dbraw/zinc/04/13/77/1076041377.db2.gz YVGYGMSOSKLLNX-GHTZIAJQSA-N 0 3 424.545 2.139 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739090013 1076043686 /nfs/dbraw/zinc/04/36/86/1076043686.db2.gz RTPGNKISTFQAEL-QWHCGFSZSA-N 0 3 417.453 2.101 20 0 HEADHN NC(=O)[C@H]1CC(C(=O)N(CCN2CCCC2)c2ccccc2)=NN1c1ccccc1 ZINC000739648767 1076069313 /nfs/dbraw/zinc/06/93/13/1076069313.db2.gz HXAYYRDUWSTTIA-OAQYLSRUSA-N 0 3 405.502 2.236 20 0 HEADHN CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1F ZINC000739787611 1076082342 /nfs/dbraw/zinc/08/23/42/1076082342.db2.gz IORKSIHTICVKTF-HNNXBMFYSA-N 0 3 411.543 2.460 20 0 HEADHN CS(=O)(=O)Nc1cccc(CNC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000740014123 1076102433 /nfs/dbraw/zinc/10/24/33/1076102433.db2.gz DDQLCHAYWPLRLY-INIZCTEOSA-N 0 3 412.895 2.306 20 0 HEADHN CC(C)n1ccc(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC000740751265 1076234322 /nfs/dbraw/zinc/23/43/22/1076234322.db2.gz XKXZGWMLDLUIMW-HXUWFJFHSA-N 0 3 410.566 2.462 20 0 HEADHN CCCN(CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000740881364 1076280833 /nfs/dbraw/zinc/28/08/33/1076280833.db2.gz AOXNTNFDNBBTBR-MYFOBWKXSA-N 0 3 420.554 2.044 20 0 HEADHN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000766257124 1076293966 /nfs/dbraw/zinc/29/39/66/1076293966.db2.gz NZKMRVDKMOAUPT-SFHVURJKSA-N 0 3 422.533 2.305 20 0 HEADHN CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000741139287 1076383134 /nfs/dbraw/zinc/38/31/34/1076383134.db2.gz KVHUBRBOBOHAFA-ROUUACIJSA-N 0 3 402.539 2.183 20 0 HEADHN CN(C)Cc1cccc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000741279577 1076443401 /nfs/dbraw/zinc/44/34/01/1076443401.db2.gz YNNSFJBGQZJXRN-UHFFFAOYSA-N 0 3 410.518 2.296 20 0 HEADHN CC[C@@H]1CN(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCN1CC(F)F ZINC000766267848 1076450180 /nfs/dbraw/zinc/45/01/80/1076450180.db2.gz HXWREJJKAMVNLM-LJQANCHMSA-N 0 3 423.552 2.428 20 0 HEADHN CCN1CCN(c2ccc(C(=O)OCC(=O)NC(=O)c3cccs3)cc2)CC1 ZINC000741339983 1076472389 /nfs/dbraw/zinc/47/23/89/1076472389.db2.gz AMXRGNJSNUTZHD-UHFFFAOYSA-N 0 3 401.488 2.003 20 0 HEADHN CNC(=O)[C@H](NC(=O)COC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000741330133 1076478547 /nfs/dbraw/zinc/47/85/47/1076478547.db2.gz NNOPEURFNSBIFF-JOCHJYFZSA-N 0 3 423.513 2.045 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000741330756 1076478942 /nfs/dbraw/zinc/47/89/42/1076478942.db2.gz SDJQNDSQYCFQKJ-UHFFFAOYSA-N 0 3 409.486 2.468 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)NC1CCC2(CC1)OCCO2 ZINC000741330795 1076479014 /nfs/dbraw/zinc/47/90/14/1076479014.db2.gz QZADTBIMXWAOMG-UHFFFAOYSA-N 0 3 416.518 2.244 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCc3ccc(C)c(OC)c3)cc2)CC1 ZINC000741429130 1076521414 /nfs/dbraw/zinc/52/14/14/1076521414.db2.gz LNWNKMJQEQFSCO-UHFFFAOYSA-N 0 3 424.545 2.443 20 0 HEADHN CN(C(=O)c1ccc(NC(=O)CCCn2ccccc2=O)cc1)[C@H]1CCCN(C)C1 ZINC000741610684 1076565227 /nfs/dbraw/zinc/56/52/27/1076565227.db2.gz DCYSSMXJJLYNGB-FQEVSTJZSA-N 0 3 410.518 2.433 20 0 HEADHN CN(C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)[C@@H]1CCCN(C)C1 ZINC000741626949 1076571017 /nfs/dbraw/zinc/57/10/17/1076571017.db2.gz YSMZGDNLDFPVIY-AUSIDOKSSA-N 0 3 408.502 2.159 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCC(OCCCOC)CC3)cc2)CC1 ZINC000741790268 1076628953 /nfs/dbraw/zinc/62/89/53/1076628953.db2.gz FPQZZDYVUHMXFK-UHFFFAOYSA-N 0 3 418.582 2.285 20 0 HEADHN O=C(NC1CCN(C[C@@H]2CCCO2)CC1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000742075292 1076736241 /nfs/dbraw/zinc/73/62/41/1076736241.db2.gz UGKRWUCBJQGIDW-KRWDZBQOSA-N 0 3 413.474 2.486 20 0 HEADHN O=c1n(Cc2ccccc2)c2ccncc2n1CN1CCC(CN2CCOCC2)CC1 ZINC000742146372 1076758203 /nfs/dbraw/zinc/75/82/03/1076758203.db2.gz ZEVHBRFXNWTBDH-UHFFFAOYSA-N 0 3 421.545 2.248 20 0 HEADHN C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742163408 1076760464 /nfs/dbraw/zinc/76/04/64/1076760464.db2.gz RXNPCBVABYWGLZ-APWZRJJASA-N 0 3 408.424 2.376 20 0 HEADHN C[C@@]1(c2ccc(OC(F)(F)F)cc2)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742162977 1076772718 /nfs/dbraw/zinc/77/27/18/1076772718.db2.gz LLBZEQACVJRUFW-KXBFYZLASA-N 0 3 424.423 2.256 20 0 HEADHN C[C@@]1(c2ccccc2Br)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742162240 1076773159 /nfs/dbraw/zinc/77/31/59/1076773159.db2.gz DLAMESJLGFYDHH-LIRRHRJNSA-N 0 3 419.323 2.120 20 0 HEADHN O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)CC1 ZINC000742276200 1076808456 /nfs/dbraw/zinc/80/84/56/1076808456.db2.gz YWOGLCNLBFURJT-GOSISDBHSA-N 0 3 421.563 2.191 20 0 HEADHN CCN(CC)CCNS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742266289 1076811409 /nfs/dbraw/zinc/81/14/09/1076811409.db2.gz QWJZYGXVJOBMBO-LJQANCHMSA-N 0 3 411.568 2.296 20 0 HEADHN CN(CC1CCN(C)CC1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742290167 1076818156 /nfs/dbraw/zinc/81/81/56/1076818156.db2.gz HZNJUWVTJXNJOB-FQEVSTJZSA-N 0 3 423.579 2.391 20 0 HEADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)C1 ZINC000742345362 1076831842 /nfs/dbraw/zinc/83/18/42/1076831842.db2.gz RSKZKNMIZZURAK-ZDUSSCGKSA-N 0 3 419.341 2.341 20 0 HEADHN C[C@@H](CNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000742669845 1076862922 /nfs/dbraw/zinc/86/29/22/1076862922.db2.gz DHIFFUXATPZXFE-AWEZNQCLSA-N 0 3 416.444 2.411 20 0 HEADHN C[C@H]1NC(C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742791044 1076879645 /nfs/dbraw/zinc/87/96/45/1076879645.db2.gz JTOUMGPTQZICAB-YLJYHZDGSA-N 0 3 405.502 2.058 20 0 HEADHN C[C@H](CNC(=S)NCc1ccc(OC(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000742991581 1076914919 /nfs/dbraw/zinc/91/49/19/1076914919.db2.gz BFSDDNSFITWZKK-CQSZACIVSA-N 0 3 404.502 2.433 20 0 HEADHN C[C@H](CNC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1)CN1CCN(C)CC1 ZINC000743086689 1076956397 /nfs/dbraw/zinc/95/63/97/1076956397.db2.gz NUQNFHDLBHZRAG-OAHLLOKOSA-N 0 3 407.946 2.472 20 0 HEADHN C[C@H]1CN(c2ccc(NC(=O)N3CCN(CC4CCOCC4)CC3)cc2)CCO1 ZINC000743176831 1076990092 /nfs/dbraw/zinc/99/00/92/1076990092.db2.gz AZWKENHQUUGBAP-SFHVURJKSA-N 0 3 402.539 2.488 20 0 HEADHN CS(=O)(=O)CCOc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1 ZINC000743235570 1077010462 /nfs/dbraw/zinc/01/04/62/1077010462.db2.gz GUNJNIUZYXXMIP-UHFFFAOYSA-N 0 3 403.932 2.371 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000743240638 1077012188 /nfs/dbraw/zinc/01/21/88/1077012188.db2.gz MAWSWATUJKIVAK-SFHVURJKSA-N 0 3 417.510 2.016 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 ZINC000743243788 1077012908 /nfs/dbraw/zinc/01/29/08/1077012908.db2.gz MUUXBFUQEUUVFQ-INIZCTEOSA-N 0 3 403.527 2.347 20 0 HEADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC2(C1)CCOCC2 ZINC000743406709 1077047837 /nfs/dbraw/zinc/04/78/37/1077047837.db2.gz YWRCSBLEANCKEN-QHCPKHFHSA-N 0 3 412.534 2.033 20 0 HEADHN Cc1c(C(=O)NCCNc2cccc(C)n2)nnn1-c1cccc2c1CCN(C)C2 ZINC000743464281 1077056175 /nfs/dbraw/zinc/05/61/75/1077056175.db2.gz MPAZHWAXHMXWPO-UHFFFAOYSA-N 0 3 405.506 2.109 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@@](C)(O)c2ccco2)[C@@H](c2ccccc2)C1 ZINC000743548261 1077066919 /nfs/dbraw/zinc/06/69/19/1077066919.db2.gz JNAZUMONGOHYKL-DENIHFKCSA-N 0 3 400.523 2.165 20 0 HEADHN CC(C)(C)OC(=O)N[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000743594208 1077077605 /nfs/dbraw/zinc/07/76/05/1077077605.db2.gz QYLOAOOFWVHRQA-GBESFXJTSA-N 0 3 418.538 2.415 20 0 HEADHN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000743593740 1077077835 /nfs/dbraw/zinc/07/78/35/1077077835.db2.gz HEVYTBCCCMHYCQ-OLZOCXBDSA-N 0 3 422.835 2.295 20 0 HEADHN COCCN1CC[C@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000743626545 1077082355 /nfs/dbraw/zinc/08/23/55/1077082355.db2.gz LJEZRSCYJSDKHR-ROUUACIJSA-N 0 3 406.527 2.272 20 0 HEADHN C[C@H](CN1CCCCC1)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000743855848 1077143835 /nfs/dbraw/zinc/14/38/35/1077143835.db2.gz MUDJAIBJSOMCIC-GOSISDBHSA-N 0 3 422.595 2.409 20 0 HEADHN CCOC(=O)C1=C(CN(CC)CC2CCN(c3ccccn3)CC2)NC(=O)N[C@H]1C ZINC000743874695 1077158236 /nfs/dbraw/zinc/15/82/36/1077158236.db2.gz ZQHLHROLPIIXNV-INIZCTEOSA-N 0 3 415.538 2.138 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)N1CCC[C@H](C)C1 ZINC000743885568 1077175038 /nfs/dbraw/zinc/17/50/38/1077175038.db2.gz WRIOGPPSYUQVBK-IRXDYDNUSA-N 0 3 404.580 2.415 20 0 HEADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000743912802 1077191286 /nfs/dbraw/zinc/19/12/86/1077191286.db2.gz WQHULJKLDDOSBP-INIZCTEOSA-N 0 3 402.495 2.271 20 0 HEADHN Cc1ccnc(Oc2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)ccc2C)c1 ZINC000743913980 1077192663 /nfs/dbraw/zinc/19/26/63/1077192663.db2.gz JFTNGHZESYITQH-RTBURBONSA-N 0 3 424.501 2.409 20 0 HEADHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CCN1C(=O)OC(C)(C)C ZINC000743941872 1077236681 /nfs/dbraw/zinc/23/66/81/1077236681.db2.gz UXBMDAJFIFSFOK-HNNXBMFYSA-N 0 3 404.511 2.155 20 0 HEADHN CSC(C)(C)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000744000570 1077287851 /nfs/dbraw/zinc/28/78/51/1077287851.db2.gz WTGZMXCZEPEWFL-QGZVFWFLSA-N 0 3 420.579 2.049 20 0 HEADHN CCc1cnc(CNC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)s1 ZINC000743973983 1077289610 /nfs/dbraw/zinc/28/96/10/1077289610.db2.gz HXSDKEGSFKEFDC-UHFFFAOYSA-N 0 3 401.536 2.102 20 0 HEADHN CCc1cnc(CCNC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)s1 ZINC000743974647 1077289626 /nfs/dbraw/zinc/28/96/26/1077289626.db2.gz BXFHRNMHSFGSJN-UHFFFAOYSA-N 0 3 415.563 2.145 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000743978715 1077291419 /nfs/dbraw/zinc/29/14/19/1077291419.db2.gz NMLSCKYNNSHTPK-GOSISDBHSA-N 0 3 422.529 2.198 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(N2CCOCC2)nc1 ZINC000744107041 1077318137 /nfs/dbraw/zinc/31/81/37/1077318137.db2.gz NSFLFNFFSVBNSS-UHFFFAOYSA-N 0 3 404.461 2.400 20 0 HEADHN CC(C)(C)OC(=O)N[C@H]1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000744398591 1077374625 /nfs/dbraw/zinc/37/46/25/1077374625.db2.gz UUNLFJSCGPIJAW-ZDUSSCGKSA-N 0 3 410.902 2.367 20 0 HEADHN CCC[C@H]1CN(C(=O)Nc2ccccc2N2CCN(C)CC2)CCN1CCOC ZINC000766320008 1077441560 /nfs/dbraw/zinc/44/15/60/1077441560.db2.gz LJVNFDNGLZPQHE-IBGZPJMESA-N 0 3 403.571 2.403 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000744653214 1077539059 /nfs/dbraw/zinc/53/90/59/1077539059.db2.gz SORWBRDFKYIQCC-GOSISDBHSA-N 0 3 417.428 2.014 20 0 HEADHN Cc1c(C(=O)NCCN2CC[C@@H](C)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744801691 1077598534 /nfs/dbraw/zinc/59/85/34/1077598534.db2.gz OFPBMJOLEHUNJH-OAHLLOKOSA-N 0 3 420.558 2.230 20 0 HEADHN CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001545681331 1077711427 /nfs/dbraw/zinc/71/14/27/1077711427.db2.gz RVCWFTWHJTUUKV-MWDXBVQZSA-N 0 3 415.604 2.118 20 0 HEADHN COc1ccccc1[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1nccn1C ZINC000745401201 1077818295 /nfs/dbraw/zinc/81/82/95/1077818295.db2.gz QTFMWFFJVIUPAP-FXAWDEMLSA-N 0 3 415.538 2.270 20 0 HEADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N[C@@H](CO)C2CC2)c1 ZINC000771806031 1079539089 /nfs/dbraw/zinc/53/90/89/1079539089.db2.gz HOCGSADKFVSKLE-SJCJKPOMSA-N 0 3 417.959 2.058 20 0 HEADHN C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000766983165 1079579239 /nfs/dbraw/zinc/57/92/39/1079579239.db2.gz VGMLIOPPVPVHIU-XJKSGUPXSA-N 0 3 401.532 2.419 20 0 HEADHN Cc1sc2nc(COC(=O)C3CC[C@H](C(F)(F)F)NC3=O)nc(N)c2c1C ZINC000771898759 1079582404 /nfs/dbraw/zinc/58/24/04/1079582404.db2.gz OUOUEMCMRYIFQC-DTWKUNHWSA-N 0 3 402.398 2.391 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C\NC[C@H]3CN4CCN3CC4)C2=O)cc1C ZINC000746522009 1079657093 /nfs/dbraw/zinc/65/70/93/1079657093.db2.gz JFASNFIITABBRX-VRMLFSPKSA-N 0 3 416.525 2.421 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)Cc3cccc(OCC(=O)NC)c3)cc2)CC1 ZINC000772027600 1079685640 /nfs/dbraw/zinc/68/56/40/1079685640.db2.gz LHKJYXBKQROCBB-UHFFFAOYSA-N 0 3 410.518 2.135 20 0 HEADHN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000767353562 1079826738 /nfs/dbraw/zinc/82/67/38/1079826738.db2.gz GFHMDWVQGDKQQH-UFYCRDLUSA-N 0 3 403.523 2.307 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1cc(F)ccc1F ZINC000767361430 1079829222 /nfs/dbraw/zinc/82/92/22/1079829222.db2.gz OKKIRFAKZFXKLB-WIYYLYMNSA-N 0 3 401.413 2.195 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2[C@@H]3CC[C@H]2CC(=O)C3)C[C@H]1C(=O)N1CCSC1 ZINC001170042997 1079873161 /nfs/dbraw/zinc/87/31/61/1079873161.db2.gz LWWTVTDHKJKJEV-IVSAIRAKSA-N 0 3 409.552 2.093 20 0 HEADHN Cc1nc2ccccc2n1CCNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000785494906 1080018715 /nfs/dbraw/zinc/01/87/15/1080018715.db2.gz CLMOCNQTTVBNBU-UHFFFAOYSA-N 0 3 421.545 2.094 20 0 HEADHN CN(CCc1cccnc1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170047799 1080066865 /nfs/dbraw/zinc/06/68/65/1080066865.db2.gz IEQYUHVQOCWCIN-MSOLQXFVSA-N 0 3 420.579 2.467 20 0 HEADHN CN(CCOC(C)(C)C)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000767775542 1080082430 /nfs/dbraw/zinc/08/24/30/1080082430.db2.gz NHQTTWXPSVXYHO-QFIPXVFZSA-N 0 3 402.539 2.277 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCCOC(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048454 1080094930 /nfs/dbraw/zinc/09/49/30/1080094930.db2.gz NQEOEYAFAFMMKT-HOTGVXAUSA-N 0 3 413.584 2.398 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000785632408 1080142761 /nfs/dbraw/zinc/14/27/61/1080142761.db2.gz KMEDOPRUSUQROV-ZDUSSCGKSA-N 0 3 417.478 2.400 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](Cc2ccccc2F)C(C)=O)CC1=O ZINC000785656989 1080177957 /nfs/dbraw/zinc/17/79/57/1080177957.db2.gz WUSPCOBOIKCPEH-NLWGTHIKSA-N 0 3 404.482 2.202 20 0 HEADHN CN(C)S(=O)(=O)c1ccc(OCCN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000767858347 1080180808 /nfs/dbraw/zinc/18/08/08/1080180808.db2.gz DRDHXAKJSSJXBE-UHFFFAOYSA-N 0 3 404.532 2.299 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)Nc1cc(-n2cnnn2)ccc1F ZINC000785721607 1080196154 /nfs/dbraw/zinc/19/61/54/1080196154.db2.gz CGIYEZZBBWBRFO-UHFFFAOYSA-N 0 3 424.436 2.193 20 0 HEADHN CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1cccc(CN2CCCC2)c1 ZINC000785708520 1080216574 /nfs/dbraw/zinc/21/65/74/1080216574.db2.gz JAXLCRUKGRCBDY-LJQANCHMSA-N 0 3 402.491 2.383 20 0 HEADHN CNC(=O)[C@@H](NC(=O)COC(=O)c1cccc(CN2CCCC2)c1)c1ccccc1 ZINC000785709484 1080216665 /nfs/dbraw/zinc/21/66/65/1080216665.db2.gz QTODSAWNUUYKES-NRFANRHFSA-N 0 3 409.486 2.043 20 0 HEADHN C[C@H](CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000767921539 1080216693 /nfs/dbraw/zinc/21/66/93/1080216693.db2.gz KAZUANGMJAZREM-JPYJTQIMSA-N 0 3 418.582 2.426 20 0 HEADHN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000785709859 1080218773 /nfs/dbraw/zinc/21/87/73/1080218773.db2.gz UAIYMFKKQGINOL-MRXNPFEDSA-N 0 3 402.491 2.239 20 0 HEADHN O=C(COC(=O)c1ccc(CN2CCC(CO)CC2)cc1)NCC(=O)c1ccccc1 ZINC000785712692 1080221981 /nfs/dbraw/zinc/22/19/81/1080221981.db2.gz VIHDPUVSPSGDME-UHFFFAOYSA-N 0 3 424.497 2.047 20 0 HEADHN COCc1ccc([C@@H]2CCCN2CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000767934849 1080230642 /nfs/dbraw/zinc/23/06/42/1080230642.db2.gz RBIULVGAQFLSLR-INIZCTEOSA-N 0 3 418.494 2.239 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CC(N3CCCCC3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170052080 1080272151 /nfs/dbraw/zinc/27/21/51/1080272151.db2.gz RZTFZLPUDZPUIO-AEFFLSMTSA-N 0 3 424.611 2.067 20 0 HEADHN CN1CCN(CCCNC(=O)[C@@]2(O)CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000785842871 1080277212 /nfs/dbraw/zinc/27/72/12/1080277212.db2.gz QGSKHLBYEJEVTF-ILBGXUMGSA-N 0 3 407.558 2.401 20 0 HEADHN CC(=O)NC1CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)CC1 ZINC000798182636 1080299446 /nfs/dbraw/zinc/29/94/46/1080299446.db2.gz ABQQRVQAFGPKJL-KRWDZBQOSA-N 0 3 407.559 2.012 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000768071209 1080314309 /nfs/dbraw/zinc/31/43/09/1080314309.db2.gz OZSPMHLIVOPUSW-CABCVRRESA-N 0 3 402.322 2.361 20 0 HEADHN Cc1cccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000768109682 1080344180 /nfs/dbraw/zinc/34/41/80/1080344180.db2.gz XJTWKOBTAXKOTQ-QFIPXVFZSA-N 0 3 424.545 2.314 20 0 HEADHN CC(C)(C)OC(=O)N1CCC(CCN2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000768199828 1080390055 /nfs/dbraw/zinc/39/00/55/1080390055.db2.gz JWHFWLBFHNWMTB-UHFFFAOYSA-N 0 3 408.587 2.264 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H]2CCCC3(C2)OCCO3)CC1 ZINC000768201251 1080392462 /nfs/dbraw/zinc/39/24/62/1080392462.db2.gz RUQDPVLMPFOCRF-NRFANRHFSA-N 0 3 416.566 2.309 20 0 HEADHN C[C@H](NCc1ccc(-n2cncn2)nc1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768203091 1080394415 /nfs/dbraw/zinc/39/44/15/1080394415.db2.gz YWEAVCQFEHHIQH-FXAWDEMLSA-N 0 3 422.489 2.178 20 0 HEADHN C[C@@H](N[C@@H](C)C(=O)NCc1ccco1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768217490 1080420610 /nfs/dbraw/zinc/42/06/10/1080420610.db2.gz MLCKFWDVQLDNTP-FUHIMQAGSA-N 0 3 415.490 2.300 20 0 HEADHN O=C([C@@H]1CCCN(Cc2cc3ccccc3nc2N2CCOCC2)C1)N1CCOCC1 ZINC000768234463 1080435079 /nfs/dbraw/zinc/43/50/79/1080435079.db2.gz LMEXOIKBGCZOSC-HXUWFJFHSA-N 0 3 424.545 2.142 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000768302407 1080473865 /nfs/dbraw/zinc/47/38/65/1080473865.db2.gz XSRBSEBBSHYVML-UHFFFAOYSA-N 0 3 411.502 2.206 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000768368907 1080517469 /nfs/dbraw/zinc/51/74/69/1080517469.db2.gz VFWHTTQONNQDQN-REWPJTCUSA-N 0 3 414.550 2.088 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000786325776 1080562947 /nfs/dbraw/zinc/56/29/47/1080562947.db2.gz FVCHZYUWGCXULE-IRXDYDNUSA-N 0 3 421.925 2.437 20 0 HEADHN C[C@@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000746589882 1080659651 /nfs/dbraw/zinc/65/96/51/1080659651.db2.gz UETXCQPTCGTROT-QGZVFWFLSA-N 0 3 407.518 2.314 20 0 HEADHN O=C(NCc1ccc(Cl)nc1)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000786614566 1080710935 /nfs/dbraw/zinc/71/09/35/1080710935.db2.gz PDOBTACVRVOKMQ-UHFFFAOYSA-N 0 3 418.847 2.273 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000768719960 1080735979 /nfs/dbraw/zinc/73/59/79/1080735979.db2.gz HBOIQMJKBNJIRX-INIZCTEOSA-N 0 3 419.913 2.033 20 0 HEADHN C[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786795132 1080825729 /nfs/dbraw/zinc/82/57/29/1080825729.db2.gz YTNAHLSBNSYUMN-GOSISDBHSA-N 0 3 421.545 2.455 20 0 HEADHN C[C@H](NCc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(N2CCNC2=O)cc1 ZINC000786800907 1080834462 /nfs/dbraw/zinc/83/44/62/1080834462.db2.gz PUBZSVLJBSSJDW-HNNXBMFYSA-N 0 3 402.520 2.317 20 0 HEADHN Cc1cccc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000768897532 1080836806 /nfs/dbraw/zinc/83/68/06/1080836806.db2.gz OEXXMCFUSWGVFI-DHIUTWEWSA-N 0 3 423.557 2.467 20 0 HEADHN Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786818333 1080842420 /nfs/dbraw/zinc/84/24/20/1080842420.db2.gz SKSYRLZRFYWNGX-UHFFFAOYSA-N 0 3 423.513 2.384 20 0 HEADHN C[C@@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)Nc1sccc1C(N)=O ZINC000786822280 1080844992 /nfs/dbraw/zinc/84/49/92/1080844992.db2.gz VPXKVFCDZRAUCW-CYBMUJFWSA-N 0 3 401.488 2.166 20 0 HEADHN Cc1n[nH]c(C)c1CN1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769023886 1080888223 /nfs/dbraw/zinc/88/82/23/1080888223.db2.gz MENNWIXHJNNOEM-KRWDZBQOSA-N 0 3 405.543 2.318 20 0 HEADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000769029408 1080890091 /nfs/dbraw/zinc/89/00/91/1080890091.db2.gz VHUMWDKFOJCZNU-LJQANCHMSA-N 0 3 407.511 2.360 20 0 HEADHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000787009213 1080927589 /nfs/dbraw/zinc/92/75/89/1080927589.db2.gz VQSWFFLCRILWPG-HOTGVXAUSA-N 0 3 424.567 2.014 20 0 HEADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000769267539 1081023097 /nfs/dbraw/zinc/02/30/97/1081023097.db2.gz MEVOOXXMZAIYDL-OAQYLSRUSA-N 0 3 420.517 2.479 20 0 HEADHN CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661480 1081043576 /nfs/dbraw/zinc/04/35/76/1081043576.db2.gz KKJRUTXJRNXMIR-KRWDZBQOSA-N 0 3 411.543 2.262 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(F)(F)F)c1)N1CCCCC1 ZINC000787178008 1081046886 /nfs/dbraw/zinc/04/68/86/1081046886.db2.gz PTOCQRGPQMXDJQ-AWEZNQCLSA-N 0 3 401.429 2.235 20 0 HEADHN Cn1ccnc1[C@@H](O)C1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000769434612 1081073206 /nfs/dbraw/zinc/07/32/06/1081073206.db2.gz NRGLKYSUYVBUIR-QFIPXVFZSA-N 0 3 412.534 2.367 20 0 HEADHN CC(C)N(C)Cc1nn(C(F)(F)COc2ccc(Cl)nn2)c2c1CCNC2 ZINC001164680533 719637800 /nfs/dbraw/zinc/63/78/00/719637800.db2.gz UXOJVCPJDHOUPJ-UHFFFAOYSA-N 0 3 400.861 2.441 20 0 HEADHN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164687283 719692161 /nfs/dbraw/zinc/69/21/61/719692161.db2.gz RQKDQKDLGIXJCS-SFHVURJKSA-N 0 3 424.549 2.202 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1cc(C(=O)NC(C)(C)C)cc(Cl)n1)CC2 ZINC001164683685 719724826 /nfs/dbraw/zinc/72/48/26/719724826.db2.gz CNRBSOQVLABSLJ-UHFFFAOYSA-N 0 3 421.973 2.444 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc4c(c3)OCCO4)nn1)CC2 ZINC001164689865 719741800 /nfs/dbraw/zinc/74/18/00/719741800.db2.gz MQXHULOJTSRJNQ-UHFFFAOYSA-N 0 3 423.517 2.096 20 0 HEADHN O=C(CO[C@@H]1CC[C@@H]2[C@H]1OCCN2c1ccc(CN2CCCC2)cn1)N1CCCC1 ZINC001164711446 720085254 /nfs/dbraw/zinc/08/52/54/720085254.db2.gz MYOATRQNBCFTEI-TXTKFYIRSA-N 0 3 414.550 2.053 20 0 HEADHN CN(Cc1ccc(N2CCO[C@@H]3[C@H](OCC(=O)N4CCCC4)CC[C@H]32)nc1)C1CC1 ZINC001164709412 720086361 /nfs/dbraw/zinc/08/63/61/720086361.db2.gz DRVAYMWECLBGSK-VIZSFHNOSA-N 0 3 414.550 2.051 20 0 HEADHN COc1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164740227 720604050 /nfs/dbraw/zinc/60/40/50/720604050.db2.gz HWJCAUMPDPUSLZ-DZGCQCFKSA-N 0 3 412.881 2.424 20 0 HEADHN c1ccc2c(c1)CCc1cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc1-2 ZINC001164738316 720741723 /nfs/dbraw/zinc/74/17/23/720741723.db2.gz FTYRKVMTEJUGIJ-MOPGFXCFSA-N 0 3 400.486 2.374 20 0 HEADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164741822 720742126 /nfs/dbraw/zinc/74/21/26/720742126.db2.gz NCCIFJAHEIXTEY-VQTJNVASSA-N 0 3 417.517 2.342 20 0 HEADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)CC1 ZINC001164744750 720761124 /nfs/dbraw/zinc/76/11/24/720761124.db2.gz SIOPTOCWQXXFSJ-RBUKOAKNSA-N 0 3 422.533 2.086 20 0 HEADHN COc1ccccc1-c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737528 720771187 /nfs/dbraw/zinc/77/11/87/720771187.db2.gz CETRANGBLPFVEX-IRXDYDNUSA-N 0 3 404.474 2.284 20 0 HEADHN COc1ccccc1-c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737526 720771235 /nfs/dbraw/zinc/77/12/35/720771235.db2.gz CETRANGBLPFVEX-DLBZAZTESA-N 0 3 404.474 2.284 20 0 HEADHN c1cncc(-c2nc3c(c(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)n2)CCC3)c1 ZINC001164752748 720788071 /nfs/dbraw/zinc/78/80/71/720788071.db2.gz ZRDGKCVWLIBXOX-MSOLQXFVSA-N 0 3 415.501 2.159 20 0 HEADHN COc1cc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164742752 720801764 /nfs/dbraw/zinc/80/17/64/720801764.db2.gz DMFNJJWEUFADBL-WBVHZDCISA-N 0 3 407.474 2.384 20 0 HEADHN NC(=S)c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2sccc21 ZINC001164744906 720806015 /nfs/dbraw/zinc/80/60/15/720806015.db2.gz JPOHGVROKGYPIQ-OLZOCXBDSA-N 0 3 412.544 2.062 20 0 HEADHN CCc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)nc(N2CCOCC2)n1 ZINC001164858965 720978981 /nfs/dbraw/zinc/97/89/81/720978981.db2.gz JOXCTDARMIZGKL-KRWDZBQOSA-N 0 3 413.570 2.494 20 0 HEADHN O=C(c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCCC1 ZINC001164869238 721044061 /nfs/dbraw/zinc/04/40/61/721044061.db2.gz SQAWFPCYHXUWBI-VQTJNVASSA-N 0 3 407.518 2.192 20 0 HEADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866260 721052118 /nfs/dbraw/zinc/05/21/18/721052118.db2.gz DIJAERXGGPGNEN-SJORKVTESA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ncc2c1 ZINC001164867408 721058212 /nfs/dbraw/zinc/05/82/12/721058212.db2.gz ISPWBXRNKNHBHK-WOJBJXKFSA-N 0 3 419.485 2.291 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164763668 721067412 /nfs/dbraw/zinc/06/74/12/721067412.db2.gz GOBOTTLLJXYWIO-CNNODRBYSA-N 0 3 409.534 2.181 20 0 HEADHN CCOC(=O)c1nnc(Cl)cc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865939 721080530 /nfs/dbraw/zinc/08/05/30/721080530.db2.gz QCLNLEXYXUVHSL-HOTGVXAUSA-N 0 3 417.897 2.181 20 0 HEADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865514 721097021 /nfs/dbraw/zinc/09/70/21/721097021.db2.gz MEWVPKJQJMWIFM-MOPGFXCFSA-N 0 3 419.485 2.291 20 0 HEADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164865529 721102874 /nfs/dbraw/zinc/10/28/74/721102874.db2.gz MLBWFKGZCYVDKI-ZWKOTPCHSA-N 0 3 411.506 2.307 20 0 HEADHN COC(=O)CSc1cccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880971 721125407 /nfs/dbraw/zinc/12/54/07/721125407.db2.gz YLGBUGACVBQTEI-MSOLQXFVSA-N 0 3 414.531 2.221 20 0 HEADHN O=C(N[C@@H]1CCO[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1cnccn1 ZINC001164870158 721215063 /nfs/dbraw/zinc/21/50/63/721215063.db2.gz FZHSGYPEMVVADQ-AUSIDOKSSA-N 0 3 422.533 2.025 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164890888 721378622 /nfs/dbraw/zinc/37/86/22/721378622.db2.gz OWNYUTGUZVWQLE-KNQAVFIVSA-N 0 3 402.587 2.371 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NCC1CC1 ZINC001164885573 721378633 /nfs/dbraw/zinc/37/86/33/721378633.db2.gz CMGACXDPZVDBBC-OFNKIYASSA-N 0 3 414.598 2.372 20 0 HEADHN COC(=O)c1cc(OC)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902169 721524651 /nfs/dbraw/zinc/52/46/51/721524651.db2.gz ZUCQYVXXLYDRLJ-YJBOKZPZSA-N 0 3 401.438 2.358 20 0 HEADHN COC(=O)c1cc(OC)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902167 721524731 /nfs/dbraw/zinc/52/47/31/721524731.db2.gz ZUCQYVXXLYDRLJ-MAUKXSAKSA-N 0 3 401.438 2.358 20 0 HEADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164908221 721530401 /nfs/dbraw/zinc/53/04/01/721530401.db2.gz POALPXCXFKFBDD-AEFFLSMTSA-N 0 3 400.454 2.443 20 0 HEADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907788 721547149 /nfs/dbraw/zinc/54/71/49/721547149.db2.gz OOPCMLZOWQMPBI-AEFFLSMTSA-N 0 3 400.454 2.196 20 0 HEADHN O=C(c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)N1CCCC1 ZINC001164981424 722099317 /nfs/dbraw/zinc/09/93/17/722099317.db2.gz LLVVLQIKZOWVDZ-IFMALSPDSA-N 0 3 421.545 2.440 20 0 HEADHN CCOC(=O)Cc1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985287 722104809 /nfs/dbraw/zinc/10/48/09/722104809.db2.gz WEVGMSOPVAFJHE-LEWJYISDSA-N 0 3 410.518 2.310 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(CCO[C@H]3CCCCO3)C2)C(=O)C1 ZINC000769787944 1078566826 /nfs/dbraw/zinc/56/68/26/1078566826.db2.gz FYQBSLBXVAOTKN-MJGOQNOKSA-N 0 3 411.543 2.073 20 0 HEADHN Cc1oc(-c2ccccc2F)nc1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000766334590 1078625601 /nfs/dbraw/zinc/62/56/01/1078625601.db2.gz VMBVXUHJCQSQMN-QGZVFWFLSA-N 0 3 400.454 2.168 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796584 1078651048 /nfs/dbraw/zinc/65/10/48/1078651048.db2.gz CBRNVWYWQLMKBM-MSOLQXFVSA-N 0 3 412.575 2.386 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@]3(CC(=O)OC)CCCOC3)c(C)c2)CC1 ZINC000769964104 1078655902 /nfs/dbraw/zinc/65/59/02/1078655902.db2.gz VHBKKOSINBVQOF-QFIPXVFZSA-N 0 3 418.538 2.371 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)c2c(F)cccc2Cl)CC1 ZINC000745861757 1078677530 /nfs/dbraw/zinc/67/75/30/1078677530.db2.gz PDDSNMZGSMJPJQ-RHSMWYFYSA-N 0 3 400.926 2.085 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)[C@@H](c1ccccc1)N(C)C ZINC000770053330 1078706661 /nfs/dbraw/zinc/70/66/61/1078706661.db2.gz ZHBZHZHENTYAOU-SWDVRCMSSA-N 0 3 420.513 2.188 20 0 HEADHN CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](c3ccccc3)N(C)C)cc2S1(=O)=O ZINC000770053163 1078706727 /nfs/dbraw/zinc/70/67/27/1078706727.db2.gz YTYFLWCJXGVVPE-LIRRHRJNSA-N 0 3 415.515 2.272 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176166 1078748765 /nfs/dbraw/zinc/74/87/65/1078748765.db2.gz ZTRMGOWGSLIRNR-AZUAARDMSA-N 0 3 418.582 2.265 20 0 HEADHN COc1ccc(OC)c([C@@H](O)CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746045202 1078755581 /nfs/dbraw/zinc/75/55/81/1078755581.db2.gz HUSJHIBJLODYIV-LIRRHRJNSA-N 0 3 408.520 2.338 20 0 HEADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)C1 ZINC000746046950 1078757333 /nfs/dbraw/zinc/75/73/33/1078757333.db2.gz TWXULJGHQSHVFT-QGZVFWFLSA-N 0 3 414.550 2.488 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000770174083 1078769781 /nfs/dbraw/zinc/76/97/81/1078769781.db2.gz RLRSINRPMIIFCN-HNNXBMFYSA-N 0 3 420.355 2.391 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)CC1=O ZINC000746145417 1078805471 /nfs/dbraw/zinc/80/54/71/1078805471.db2.gz QFDIMIRECQYGKS-KRWDZBQOSA-N 0 3 414.550 2.440 20 0 HEADHN CCOC(=O)N=c1[nH]c2ccc(NC(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)cc2s1 ZINC000746181375 1078811559 /nfs/dbraw/zinc/81/15/59/1078811559.db2.gz YLQLXVADCQGXFX-GFCCVEGCSA-N 0 3 419.507 2.213 20 0 HEADHN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746224853 1078826304 /nfs/dbraw/zinc/82/63/04/1078826304.db2.gz JXAPKRKOLWVTAG-FXAWDEMLSA-N 0 3 405.498 2.037 20 0 HEADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(CN2CCCCC2=O)cc1 ZINC000746217725 1078824211 /nfs/dbraw/zinc/82/42/11/1078824211.db2.gz BFYSDNYXTMHJOE-HSZRJFAPSA-N 0 3 421.541 2.348 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220055 1078824590 /nfs/dbraw/zinc/82/45/90/1078824590.db2.gz QXNQFYVROOQHNM-VQTJNVASSA-N 0 3 417.550 2.311 20 0 HEADHN COCCN1CCC(NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCC2)CC1 ZINC000770329747 1078830145 /nfs/dbraw/zinc/83/01/45/1078830145.db2.gz ZPSICBCXYSRJFC-SFHVURJKSA-N 0 3 412.575 2.480 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)cc2)CC1 ZINC000746302803 1078847773 /nfs/dbraw/zinc/84/77/73/1078847773.db2.gz FXYYLUCJNNDYTL-QGZVFWFLSA-N 0 3 401.580 2.078 20 0 HEADHN CN1CCN(CCCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000746330188 1078861163 /nfs/dbraw/zinc/86/11/63/1078861163.db2.gz GQKXSKZHUBCSFN-RTWAWAEBSA-N 0 3 406.546 2.451 20 0 HEADHN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000766344539 1078872563 /nfs/dbraw/zinc/87/25/63/1078872563.db2.gz XRUWFAXPCDDEHP-QGZVFWFLSA-N 0 3 415.925 2.213 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000770588491 1078899232 /nfs/dbraw/zinc/89/92/32/1078899232.db2.gz APZCPVYGTINPOD-MSOLQXFVSA-N 0 3 411.591 2.053 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000770589331 1078898709 /nfs/dbraw/zinc/89/87/09/1078898709.db2.gz HZVTUGLTUKZAJZ-ZWKOTPCHSA-N 0 3 411.591 2.101 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000770603212 1078912175 /nfs/dbraw/zinc/91/21/75/1078912175.db2.gz HECZLMJTMGNMMU-GCJKJVERSA-N 0 3 423.602 2.055 20 0 HEADHN C[C@@H]1CN(Cn2nc(N3CCOCC3)n(C)c2=S)[C@@H](C)CN1Cc1ccccc1 ZINC000766373259 1078940974 /nfs/dbraw/zinc/94/09/74/1078940974.db2.gz FQKZJYGUUPSXKW-MSOLQXFVSA-N 0 3 416.595 2.340 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)COc3ccccc3)c2)CC1 ZINC000770724629 1078951722 /nfs/dbraw/zinc/95/17/22/1078951722.db2.gz ICIXJYVKRHMCGW-GOSISDBHSA-N 0 3 410.518 2.351 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN2CCC[C@H](c3nncn3C(C)C)C2)cc1 ZINC000746452357 1078981811 /nfs/dbraw/zinc/98/18/11/1078981811.db2.gz STXHTGRUJOYHFR-ZWKOTPCHSA-N 0 3 402.495 2.265 20 0 HEADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001168791024 1078989048 /nfs/dbraw/zinc/98/90/48/1078989048.db2.gz CLEHSHWUZFVHMI-HSZRJFAPSA-N 0 3 422.533 2.131 20 0 HEADHN C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000746458828 1079000226 /nfs/dbraw/zinc/00/02/26/1079000226.db2.gz VZKYHNJOIZUVHC-SFHVURJKSA-N 0 3 410.566 2.248 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000766456720 1079010010 /nfs/dbraw/zinc/01/00/10/1079010010.db2.gz AEJBLPYULPNOHT-RYUDHWBXSA-N 0 3 416.703 2.020 20 0 HEADHN O=C(CN1CC[C@H](CO)C1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000746461991 1079014651 /nfs/dbraw/zinc/01/46/51/1079014651.db2.gz IZEFEZBYKHUAKJ-NRFANRHFSA-N 0 3 408.546 2.262 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000746476162 1079029881 /nfs/dbraw/zinc/02/98/81/1079029881.db2.gz RSKJSJYDWVYJDD-DLBZAZTESA-N 0 3 401.573 2.133 20 0 HEADHN Cc1ccncc1CN[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170018165 1079030439 /nfs/dbraw/zinc/03/04/39/1079030439.db2.gz GAIKORYFYFVMDT-SJORKVTESA-N 0 3 406.552 2.391 20 0 HEADHN C[C@H]1C[C@H](N2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858430 1079054752 /nfs/dbraw/zinc/05/47/52/1079054752.db2.gz QFKVSOWVKIHMKO-IRXDYDNUSA-N 0 3 400.527 2.384 20 0 HEADHN COCCO[C@H]1CCN([C@H]2C[C@@H](C)N(C(=O)OC(C)(C)C)C2)[C@H]1Cc1cnn(C)c1 ZINC001168870154 1079059498 /nfs/dbraw/zinc/05/94/98/1079059498.db2.gz ZVCFTEXHHRSLCC-GTAWCEEGSA-N 0 3 422.570 2.466 20 0 HEADHN C[C@H]1C[C@@H](N2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168844816 1079060328 /nfs/dbraw/zinc/06/03/28/1079060328.db2.gz DSCVBWAJAZRVNK-NTZUZEMLSA-N 0 3 407.555 2.486 20 0 HEADHN COC(=O)c1cc(COC(=O)C2CCN(c3ccccc3Br)C2=O)on1 ZINC000771015926 1079105440 /nfs/dbraw/zinc/10/54/40/1079105440.db2.gz BNTWSTLRDHQNSG-NSHDSACASA-N 0 3 423.219 2.320 20 0 HEADHN Cn1cc(C(C)(C)NCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cn1 ZINC001169045818 1079114701 /nfs/dbraw/zinc/11/47/01/1079114701.db2.gz TUYNZFMOZFEXTB-UHFFFAOYSA-N 0 3 419.551 2.058 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](NCc2cccc(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170021193 1079122720 /nfs/dbraw/zinc/12/27/20/1079122720.db2.gz WYPFHBKEPSQCJS-RDJZCZTQSA-N 0 3 407.536 2.393 20 0 HEADHN CC[C@H](C)[C@H](Nc1nc(CN2CC[C@@H](CO)C2)ccc1NC(=O)C(C)(C)C)C(N)=O ZINC001169150478 1079166476 /nfs/dbraw/zinc/16/64/76/1079166476.db2.gz WSNMUHBYLVDJHA-DAYGRLMNSA-N 0 3 419.570 2.192 20 0 HEADHN C[C@H](N)c1nc2ccccc2n1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161477 1079170560 /nfs/dbraw/zinc/17/05/60/1079170560.db2.gz DDMZNENUIFRQDW-GJZGRUSLSA-N 0 3 423.521 2.235 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000771135834 1079186352 /nfs/dbraw/zinc/18/63/52/1079186352.db2.gz QRVNJKRSHXRSDD-OAHLLOKOSA-N 0 3 419.551 2.030 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000771167024 1079205740 /nfs/dbraw/zinc/20/57/40/1079205740.db2.gz ATXXORJIMPHXFV-UHFFFAOYSA-N 0 3 403.527 2.489 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000766652489 1079220880 /nfs/dbraw/zinc/22/08/80/1079220880.db2.gz QACZBTJMZKLNPR-AUUYWEPGSA-N 0 3 417.481 2.463 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CO1 ZINC001169384855 1079257025 /nfs/dbraw/zinc/25/70/25/1079257025.db2.gz HCDTVDRHMNWXBU-WOJBJXKFSA-N 0 3 415.534 2.458 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CO1 ZINC001169384864 1079257101 /nfs/dbraw/zinc/25/71/01/1079257101.db2.gz HETPHAJLEJHXLA-MOPGFXCFSA-N 0 3 401.507 2.007 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CO1 ZINC001169386209 1079257474 /nfs/dbraw/zinc/25/74/74/1079257474.db2.gz LJRKSDDMMGIDDP-VRRQFBSDSA-N 0 3 406.523 2.302 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)C2)CO1 ZINC001169387767 1079258628 /nfs/dbraw/zinc/25/86/28/1079258628.db2.gz OXYJYNSRAVDHDQ-XQBPLPMBSA-N 0 3 401.507 2.149 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)CO1 ZINC001169397975 1079270362 /nfs/dbraw/zinc/27/03/62/1079270362.db2.gz PCDMQBPVTGMPOT-NVXWUHKLSA-N 0 3 408.520 2.057 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CO1 ZINC001169399715 1079273449 /nfs/dbraw/zinc/27/34/49/1079273449.db2.gz WKQRHQCNCKRFPB-WOJBJXKFSA-N 0 3 400.519 2.394 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC(F)(F)[C@@]3(CCN(c4cnccn4)C3)C2)CO1 ZINC001169395383 1079267574 /nfs/dbraw/zinc/26/75/74/1079267574.db2.gz IBQXURUXNPSXNP-BXWFABGCSA-N 0 3 410.465 2.125 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)CO1 ZINC001169400424 1079274847 /nfs/dbraw/zinc/27/48/47/1079274847.db2.gz YXGKFQWWMLTLFD-NNXSRULWSA-N 0 3 400.519 2.362 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1NC[C@@H](O)C(F)(F)F ZINC001169455151 1079298682 /nfs/dbraw/zinc/29/86/82/1079298682.db2.gz ZNOGIXCJVBIKDE-IUODEOHRSA-N 0 3 418.460 2.216 20 0 HEADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001169527862 1079323648 /nfs/dbraw/zinc/32/36/48/1079323648.db2.gz QZBHETYDXIAJCT-RYRKJORJSA-N 0 3 421.588 2.442 20 0 HEADHN CC(=O)N1CCC[C@@H](N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)C1 ZINC001169577164 1079335640 /nfs/dbraw/zinc/33/56/40/1079335640.db2.gz FNTBESUHMJRRHP-MOPGFXCFSA-N 0 3 415.534 2.277 20 0 HEADHN CC(=O)NC[C@H]1CN(c2ccc(N3CCCc4ccc(CN)nc43)c(F)c2)C(=O)O1 ZINC001169592341 1079337167 /nfs/dbraw/zinc/33/71/67/1079337167.db2.gz NSLBZLUKVJCJBD-KRWDZBQOSA-N 0 3 413.453 2.225 20 0 HEADHN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCC2(N3CCSCC3)CCCC2)cn1 ZINC000766761631 1079345131 /nfs/dbraw/zinc/34/51/31/1079345131.db2.gz OITCEFBMAUPBBS-RBUKOAKNSA-N 0 3 421.611 2.379 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CCO[C@@H]3[C@H](COc4ncccn4)CC[C@@H]32)CC1 ZINC001169692157 1079373001 /nfs/dbraw/zinc/37/30/01/1079373001.db2.gz HGGLSTXXLPYWKE-CADBVGFASA-N 0 3 404.511 2.346 20 0 HEADHN COc1cncc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170028378 1079379968 /nfs/dbraw/zinc/37/99/68/1079379968.db2.gz CDJBYXOXLTVGQC-WBVHZDCISA-N 0 3 422.551 2.091 20 0 HEADHN CN(CC(=O)NC1CCN([C@@H]2CCOC2)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000771581548 1079380271 /nfs/dbraw/zinc/38/02/71/1079380271.db2.gz GGGVVWFFHDWDIL-QGZVFWFLSA-N 0 3 413.440 2.324 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000771583973 1079381180 /nfs/dbraw/zinc/38/11/80/1079381180.db2.gz XRKJYDHWQDBYSA-QTKYHAHDSA-N 0 3 409.486 2.420 20 0 HEADHN O=C(NCC1CC1)c1nn([C@H]2CCCN(C(=O)c3ccccc3)C2)c2c1CNCC2 ZINC001169774821 1079396027 /nfs/dbraw/zinc/39/60/27/1079396027.db2.gz XJYQEGZNBBQDBP-SFHVURJKSA-N 0 3 407.518 2.146 20 0 HEADHN Cn1cc([C@@H]2CC(=O)NC23CCN([C@H]2CCCN(C(=O)c4ccccc4)C2)CC3)cn1 ZINC001169775166 1079396422 /nfs/dbraw/zinc/39/64/22/1079396422.db2.gz ZVIWDEHIMKJDOV-SFTDATJTSA-N 0 3 421.545 2.163 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1sccc1NC(=O)c1ccncc1 ZINC000771658808 1079429929 /nfs/dbraw/zinc/42/99/29/1079429929.db2.gz VWGRGODLUFVMRL-HNNXBMFYSA-N 0 3 401.536 2.151 20 0 HEADHN Cc1ccc([C@@](O)(CC(=O)NC(C)(C)CCN2CCN(C)CC2)C(F)(F)F)o1 ZINC000771663303 1079432082 /nfs/dbraw/zinc/43/20/82/1079432082.db2.gz LJDPARLXPYZCDO-SFHVURJKSA-N 0 3 405.461 2.260 20 0 HEADHN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169884147 1079457616 /nfs/dbraw/zinc/45/76/16/1079457616.db2.gz YIZSMAUQDWNHRA-KBWCOIMZSA-N 0 3 421.607 2.493 20 0 HEADHN Cc1oc(-c2ccccc2F)nc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000737836176 1075935874 /nfs/dbraw/zinc/93/58/74/1075935874.db2.gz BWLXIUMXYVDEAX-UHFFFAOYSA-N 0 3 400.454 2.169 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1CN1C(=O)N[C@](C)(c2ccccc2Br)C1=O ZINC000738286580 1075979747 /nfs/dbraw/zinc/97/97/47/1075979747.db2.gz XLOGAXKJNIRFBY-QFBILLFUSA-N 0 3 423.355 2.446 20 0 HEADHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738317116 1075988309 /nfs/dbraw/zinc/98/83/09/1075988309.db2.gz ILXKHICMMDQWDU-UGKGYDQZSA-N 0 3 416.566 2.037 20 0 HEADHN COc1cccc2sc(NC(=O)CN3CCCN(C[C@H]4CCCO4)CC3)nc21 ZINC000738316309 1075988396 /nfs/dbraw/zinc/98/83/96/1075988396.db2.gz CGESWTJSSBICAE-OAHLLOKOSA-N 0 3 404.536 2.430 20 0 HEADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2cccnc2Cl)CC1 ZINC000738354964 1075997797 /nfs/dbraw/zinc/99/77/97/1075997797.db2.gz LPOMNRNUYQFQMX-UHFFFAOYSA-N 0 3 408.955 2.351 20 0 HEADHN Cc1nc(CN2CCO[C@H]3CN([C@@H]4CCCC5(C4)OCCO5)CC[C@H]3C2=O)cs1 ZINC001169951745 1079492242 /nfs/dbraw/zinc/49/22/42/1079492242.db2.gz YOHKHEDAJIMVCI-QRVBRYPASA-N 0 3 421.563 2.187 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@H](Cc2ccccc2)N(C)C)cc1 ZINC000739067655 1076035560 /nfs/dbraw/zinc/03/55/60/1076035560.db2.gz LKCOYDVHMJHNBW-GCJKJVERSA-N 0 3 424.545 2.139 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cc1 ZINC000739077680 1076038361 /nfs/dbraw/zinc/03/83/61/1076038361.db2.gz BLINIABAOLPOOJ-KRWDZBQOSA-N 0 3 402.539 2.183 20 0 HEADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739086292 1076042105 /nfs/dbraw/zinc/04/21/05/1076042105.db2.gz LFPSPRWFYVPLQE-HKUYNNGSSA-N 0 3 402.539 2.231 20 0 HEADHN COC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000739120775 1076046714 /nfs/dbraw/zinc/04/67/14/1076046714.db2.gz SSSJUWPSLMHHTI-UHFFFAOYSA-N 0 3 402.495 2.305 20 0 HEADHN C[C@@H]1NC(C(=O)N(CCN2CCCC2)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000739799853 1076076061 /nfs/dbraw/zinc/07/60/61/1076076061.db2.gz HAMCWRIHMWONCR-SFHVURJKSA-N 0 3 405.502 2.454 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1 ZINC000740804219 1076243676 /nfs/dbraw/zinc/24/36/76/1076243676.db2.gz ZZEKDPYLQVWPBA-MRXNPFEDSA-N 0 3 408.506 2.125 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740880859 1076281475 /nfs/dbraw/zinc/28/14/75/1076281475.db2.gz DSBLIWFSVRIPOC-SUMDDJOVSA-N 0 3 422.522 2.448 20 0 HEADHN CCN1CC[C@@H](N(C)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C[C@@H]1C ZINC000740893697 1076293314 /nfs/dbraw/zinc/29/33/14/1076293314.db2.gz BAONENQNNSWIRA-FUHWJXTLSA-N 0 3 409.552 2.142 20 0 HEADHN CC[C@H]1Oc2cc([C@@H](C)NC(=O)NC3CCN(CCOC)CC3)ccc2NC1=O ZINC000466748649 1076349656 /nfs/dbraw/zinc/34/96/56/1076349656.db2.gz ANVPXSLBFQEACC-RDTXWAMCSA-N 0 3 404.511 2.267 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000741221682 1076410304 /nfs/dbraw/zinc/41/03/04/1076410304.db2.gz BPAOGESFKQQBOE-QFBILLFUSA-N 0 3 414.424 2.232 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000741221681 1076410349 /nfs/dbraw/zinc/41/03/49/1076410349.db2.gz BPAOGESFKQQBOE-LPHOPBHVSA-N 0 3 414.424 2.232 20 0 HEADHN COc1cc(CN(C)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c(SC)cc1OC ZINC000741274348 1076440799 /nfs/dbraw/zinc/44/07/99/1076440799.db2.gz DZORSHHNFFTACV-HOTGVXAUSA-N 0 3 409.552 2.430 20 0 HEADHN COc1cc(CN(C)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c(SC)cc1OC ZINC000741274349 1076440978 /nfs/dbraw/zinc/44/09/78/1076440978.db2.gz DZORSHHNFFTACV-HZPDHXFCSA-N 0 3 409.552 2.430 20 0 HEADHN CN(C)Cc1cccc(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000741283710 1076454498 /nfs/dbraw/zinc/45/44/98/1076454498.db2.gz FTPHTTCKJZODPC-UHFFFAOYSA-N 0 3 407.458 2.040 20 0 HEADHN CC(C)c1ccc(N2CC[C@@H](C(=O)NCCCCN3CCN(C)CC3)C2=O)cc1 ZINC000741670038 1076575432 /nfs/dbraw/zinc/57/54/32/1076575432.db2.gz YKMGRXWZGIQKTR-NRFANRHFSA-N 0 3 400.567 2.307 20 0 HEADHN Cn1nc(C(C)(C)C)cc1NC(=O)CN[C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000741786558 1076626910 /nfs/dbraw/zinc/62/69/10/1076626910.db2.gz CRNFGDMUGFSIDS-QHCPKHFHSA-N 0 3 413.566 2.273 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 ZINC000741788855 1076628332 /nfs/dbraw/zinc/62/83/32/1076628332.db2.gz IHWLBPADCGSOBP-MRXNPFEDSA-N 0 3 413.522 2.432 20 0 HEADHN CC(C)(O)CN1CCN(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)CC1 ZINC000742150547 1076766504 /nfs/dbraw/zinc/76/65/04/1076766504.db2.gz GZUCPANFDMBRAM-UHFFFAOYSA-N 0 3 410.440 2.275 20 0 HEADHN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742162837 1076772884 /nfs/dbraw/zinc/77/28/84/1076772884.db2.gz KESMOMUHCSCTGR-VQIMIIECSA-N 0 3 419.323 2.120 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCC[C@@H](C4N=NC(=S)N4C)C3)cc2)CC1 ZINC000742251187 1076799551 /nfs/dbraw/zinc/79/95/51/1076799551.db2.gz PCDRSAJVQDGKJG-QGZVFWFLSA-N 0 3 414.579 2.266 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCC[C@H](C4N=NC(=S)N4C)C3)cc2)CC1 ZINC000742251185 1076799704 /nfs/dbraw/zinc/79/97/04/1076799704.db2.gz PCDRSAJVQDGKJG-KRWDZBQOSA-N 0 3 414.579 2.266 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)C1 ZINC000742275274 1076808307 /nfs/dbraw/zinc/80/83/07/1076808307.db2.gz MRKJYVSLLBWLRS-AZUAARDMSA-N 0 3 421.563 2.191 20 0 HEADHN CCN1CCC[C@H](CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742286263 1076816781 /nfs/dbraw/zinc/81/67/81/1076816781.db2.gz HZFVGXGGGUTOSW-WOJBJXKFSA-N 0 3 423.579 2.439 20 0 HEADHN NC(=O)COc1ccc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000742378661 1076835080 /nfs/dbraw/zinc/83/50/80/1076835080.db2.gz IXVCOTJUBWHGJP-SFHVURJKSA-N 0 3 419.428 2.437 20 0 HEADHN CC(C)N1C(=O)c2ccc(C(=O)NC[C@H](C)N3CCC(C)CC3)cc2S1(=O)=O ZINC000742401911 1076837880 /nfs/dbraw/zinc/83/78/80/1076837880.db2.gz LKLRBTLTQVEOEX-HNNXBMFYSA-N 0 3 407.536 2.090 20 0 HEADHN CN1CCN(CCCNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742489490 1076844251 /nfs/dbraw/zinc/84/42/51/1076844251.db2.gz LEUFIVYKATWFGK-LJQANCHMSA-N 0 3 404.555 2.049 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742669970 1076862930 /nfs/dbraw/zinc/86/29/30/1076862930.db2.gz OSRLPDIHVAIEJE-UYAOXDASSA-N 0 3 418.582 2.437 20 0 HEADHN CCN(C)C[C@@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000742915330 1076897043 /nfs/dbraw/zinc/89/70/43/1076897043.db2.gz IQEDZJZEOCQDIE-LBPRGKRZSA-N 0 3 403.342 2.266 20 0 HEADHN Cc1ccc([C@H](CNC(=O)Nc2ccn(CCS(C)(=O)=O)n2)N2CCCC2)cc1 ZINC000743205524 1076996531 /nfs/dbraw/zinc/99/65/31/1076996531.db2.gz SCUAFRHMOFGSMP-SFHVURJKSA-N 0 3 419.551 2.195 20 0 HEADHN CN(C)Cc1c2ccccc2oc1C(=O)NCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000743301495 1077022488 /nfs/dbraw/zinc/02/24/88/1077022488.db2.gz HCROIXFWCCIVSR-UHFFFAOYSA-N 0 3 407.430 2.445 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NC[C@H](O)COc3cccc(F)c3)cc2)CC1 ZINC000743308385 1077023911 /nfs/dbraw/zinc/02/39/11/1077023911.db2.gz CYBCCKDGURDCSZ-FQEVSTJZSA-N 0 3 401.482 2.137 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)C1 ZINC000743375369 1077044388 /nfs/dbraw/zinc/04/43/88/1077044388.db2.gz GWBIKXZDPGMWEW-HXUWFJFHSA-N 0 3 406.486 2.141 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@](C)(O)c3ccco3)cc2)CC1 ZINC000743547870 1077066973 /nfs/dbraw/zinc/06/69/73/1077066973.db2.gz KRCNSYAXPJTAML-QFIPXVFZSA-N 0 3 400.523 2.124 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@](C)(O)c2ccco2)[C@@H](c2ccccc2)C1 ZINC000743548262 1077067013 /nfs/dbraw/zinc/06/70/13/1077067013.db2.gz JNAZUMONGOHYKL-KNQAVFIVSA-N 0 3 400.523 2.165 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(N2CCOC2=O)ccc1F ZINC000743765327 1077117405 /nfs/dbraw/zinc/11/74/05/1077117405.db2.gz IADLZROQXSBLRJ-JOCHJYFZSA-N 0 3 413.449 2.149 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000743765772 1077120098 /nfs/dbraw/zinc/12/00/98/1077120098.db2.gz NDVXRUKIYHFSPQ-FQEVSTJZSA-N 0 3 424.469 2.050 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000743882943 1077172023 /nfs/dbraw/zinc/17/20/23/1077172023.db2.gz GGODDNFTANGPBS-ZBFHGGJFSA-N 0 3 402.495 2.127 20 0 HEADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743896180 1077207724 /nfs/dbraw/zinc/20/77/24/1077207724.db2.gz BDTIBMUYVKJLAD-IAGOWNOFSA-N 0 3 404.580 2.415 20 0 HEADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743896182 1077207882 /nfs/dbraw/zinc/20/78/82/1077207882.db2.gz BDTIBMUYVKJLAD-SJORKVTESA-N 0 3 404.580 2.415 20 0 HEADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000743910737 1077223812 /nfs/dbraw/zinc/22/38/12/1077223812.db2.gz IAURSMBDPNMFTO-INIZCTEOSA-N 0 3 402.495 2.271 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCS[C@@H](C(C)C)C3)cc2)CC1 ZINC000743991817 1077282808 /nfs/dbraw/zinc/28/28/08/1077282808.db2.gz AMWCOGMRSDUTBF-LJQANCHMSA-N 0 3 404.580 2.367 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000743978601 1077291449 /nfs/dbraw/zinc/29/14/49/1077291449.db2.gz LIBXISUUZZDPKV-AWEZNQCLSA-N 0 3 406.914 2.115 20 0 HEADHN COc1ccccc1NC(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1 ZINC000743978002 1077292188 /nfs/dbraw/zinc/29/21/88/1077292188.db2.gz CLXJAYXFLGFTBV-INIZCTEOSA-N 0 3 424.501 2.487 20 0 HEADHN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743980722 1077293301 /nfs/dbraw/zinc/29/33/01/1077293301.db2.gz HIVHTGCTGFCMGB-SFHVURJKSA-N 0 3 414.550 2.406 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000743980154 1077293640 /nfs/dbraw/zinc/29/36/40/1077293640.db2.gz WIRIIRDCWAIHRI-OAHLLOKOSA-N 0 3 413.547 2.245 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1-n1cc(Br)cn1 ZINC000743981867 1077294910 /nfs/dbraw/zinc/29/49/10/1077294910.db2.gz UGCQUKNZNUXLCV-CYBMUJFWSA-N 0 3 420.311 2.174 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000743983185 1077295719 /nfs/dbraw/zinc/29/57/19/1077295719.db2.gz UFYYNNUPAREWGS-MRXNPFEDSA-N 0 3 400.523 2.288 20 0 HEADHN NC(=O)c1ccc(NC(=O)CCN2CCC[C@@H](N3CCCCC3=O)C2)cc1Cl ZINC000744399462 1077380344 /nfs/dbraw/zinc/38/03/44/1077380344.db2.gz NNYAQYPZMMFYER-OAHLLOKOSA-N 0 3 406.914 2.244 20 0 HEADHN CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)C1CCC1 ZINC000744410258 1077383568 /nfs/dbraw/zinc/38/35/68/1077383568.db2.gz XWWGTJRCNOEWIK-UHFFFAOYSA-N 0 3 419.469 2.023 20 0 HEADHN COC(=O)CCN(CC(=O)N[C@@H](c1nccs1)c1ccccc1)C1CCOCC1 ZINC000744427676 1077390435 /nfs/dbraw/zinc/39/04/35/1077390435.db2.gz XTHPHEMQSCLLRB-HXUWFJFHSA-N 0 3 417.531 2.393 20 0 HEADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CC[C@H](C)C2)c1 ZINC000744798930 1077597618 /nfs/dbraw/zinc/59/76/18/1077597618.db2.gz RUBQATVEYMQUHJ-AWEZNQCLSA-N 0 3 401.960 2.442 20 0 HEADHN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN[C@@H](CCO)C1CC1 ZINC000771798394 1079512905 /nfs/dbraw/zinc/51/29/05/1079512905.db2.gz HOJVXYKBNIXSFU-SFHVURJKSA-N 0 3 420.579 2.481 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@](C)(NCC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 ZINC000766937980 1079528430 /nfs/dbraw/zinc/52/84/30/1079528430.db2.gz FFOYOJXPNPKNAL-HTAPYJJXSA-N 0 3 403.523 2.389 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@](C)(NCC(=O)NC[C@H]1COc2ccccc2O1)C1CC1 ZINC000766942789 1079531430 /nfs/dbraw/zinc/53/14/30/1079531430.db2.gz SJZDTHNDYHXMHC-KSFYIVLOSA-N 0 3 419.522 2.226 20 0 HEADHN O=C(NC[C@@H]1CCCO1)Nc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000771843644 1079533644 /nfs/dbraw/zinc/53/36/44/1079533644.db2.gz ODCXQMGLXZUTQY-STQMWFEESA-N 0 3 400.357 2.364 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(N2C(=O)NC(CC(F)(F)F)C2=O)ccc1C ZINC000771802458 1079536920 /nfs/dbraw/zinc/53/69/20/1079536920.db2.gz PDPUTDOVMMKXNI-GFCCVEGCSA-N 0 3 407.414 2.403 20 0 HEADHN C[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C[C@H]1C ZINC000766989161 1079550302 /nfs/dbraw/zinc/55/03/02/1079550302.db2.gz ROWGKTPPUCNJJZ-IGIWSDCRSA-N 0 3 402.520 2.212 20 0 HEADHN CN(CCc1ccccn1)[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170036580 1079685527 /nfs/dbraw/zinc/68/55/27/1079685527.db2.gz AHLJPVYUKDAVOM-MSOLQXFVSA-N 0 3 420.579 2.467 20 0 HEADHN CC[C@@H](c1ccccc1)n1cc(O)n(-c2ccc(Cc3[nH]c(O)nc3O)cc2)c1=O ZINC000772083791 1079692188 /nfs/dbraw/zinc/69/21/88/1079692188.db2.gz DROFPQYNYDYHKG-ROUUACIJSA-N 0 3 406.442 2.357 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000767168215 1079704271 /nfs/dbraw/zinc/70/42/71/1079704271.db2.gz MRWUTUXBDHVJEE-MOPGFXCFSA-N 0 3 422.595 2.434 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cc(I)c(F)cc1F ZINC000772068724 1079707022 /nfs/dbraw/zinc/70/70/22/1079707022.db2.gz CCNDQQVUMWCSIG-NXEZZACHSA-N 0 3 422.213 2.162 20 0 HEADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000772216536 1079743710 /nfs/dbraw/zinc/74/37/10/1079743710.db2.gz FRCMCSLYTGAMDQ-DISPHTKASA-N 0 3 407.540 2.018 20 0 HEADHN CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)CC(=O)[N-]OCc1ccccc1 ZINC000772203446 1079763055 /nfs/dbraw/zinc/76/30/55/1079763055.db2.gz JMRZODWSSIUHGH-UHFFFAOYSA-N 0 3 402.583 2.363 20 0 HEADHN CN1CCN(CCCCNC(=O)N(C2CC2)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772606915 1080005320 /nfs/dbraw/zinc/00/53/20/1080005320.db2.gz XWMZZVUQXNFTJQ-IBGZPJMESA-N 0 3 423.602 2.197 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)C2CCN(CCC)CC2)c(=O)[nH]c1=O ZINC000772648710 1080011667 /nfs/dbraw/zinc/01/16/67/1080011667.db2.gz GHMQPRZNYPJOCN-UHFFFAOYSA-N 0 3 414.572 2.024 20 0 HEADHN COCCC(=O)N1CCC(NC(=S)NC2CCN(Cc3ccccc3)CC2)CC1 ZINC000767700159 1080029340 /nfs/dbraw/zinc/02/93/40/1080029340.db2.gz UMHYCQNCIDDBBX-UHFFFAOYSA-N 0 3 418.607 2.143 20 0 HEADHN C[C@H](CNC(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000785565698 1080080193 /nfs/dbraw/zinc/08/01/93/1080080193.db2.gz KGROLZALAOAQHD-QGZVFWFLSA-N 0 3 420.985 2.411 20 0 HEADHN O=C(CNC(=O)C1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001108990253 1080091783 /nfs/dbraw/zinc/09/17/83/1080091783.db2.gz UXZBMRVSZHKFTP-NSOKGPEJSA-N 0 3 403.473 2.283 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2cccc(OC(F)F)c2)CC1=O ZINC000785651902 1080106291 /nfs/dbraw/zinc/10/62/91/1080106291.db2.gz HQPGOLRHWJTQDZ-CVEARBPZSA-N 0 3 424.444 2.347 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)C(=O)c2cc(F)ccc2F)CC1=O ZINC000785654958 1080174269 /nfs/dbraw/zinc/17/42/69/1080174269.db2.gz UQZQRBUEXYOPDE-OFQRWUPVSA-N 0 3 408.445 2.412 20 0 HEADHN COC(=O)c1ccc(OC[C@@H](O)CN2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000767860114 1080183197 /nfs/dbraw/zinc/18/31/97/1080183197.db2.gz YDCQQBYITZMHLO-IBGZPJMESA-N 0 3 415.486 2.205 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NC[C@@H]3CCN(C4CC4)C3)C[C@@H](C1)C2=O ZINC000767867201 1080190046 /nfs/dbraw/zinc/19/00/46/1080190046.db2.gz BFCDDLHHESCYRV-XYTVBORESA-N 0 3 405.539 2.049 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN3[C@H](C)CC[C@H]3C)cc2)CC1 ZINC000785735554 1080209019 /nfs/dbraw/zinc/20/90/19/1080209019.db2.gz WEKUFDSCJSFSSY-QZTJIDSGSA-N 0 3 402.539 2.183 20 0 HEADHN C[C@@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000785710145 1080218046 /nfs/dbraw/zinc/21/80/46/1080218046.db2.gz DBQZIPPSVJGMIE-OAHLLOKOSA-N 0 3 419.522 2.061 20 0 HEADHN C[C@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(=O)NCC(F)(F)F ZINC000785713358 1080221338 /nfs/dbraw/zinc/22/13/38/1080221338.db2.gz YXJJRIJIZTXDOK-ZDUSSCGKSA-N 0 3 402.413 2.115 20 0 HEADHN COCC[S@@](=O)Cc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000785816402 1080256086 /nfs/dbraw/zinc/25/60/86/1080256086.db2.gz ONIFKRLUMXSZMC-SFNQZPIRSA-N 0 3 423.579 2.299 20 0 HEADHN CN1CCN(CCCNC(=O)[C@]2(O)CCc3ccccc3C2)[C@@H](c2ccccc2)C1 ZINC000785842875 1080277290 /nfs/dbraw/zinc/27/72/90/1080277290.db2.gz QGSKHLBYEJEVTF-NOZRDPDXSA-N 0 3 407.558 2.401 20 0 HEADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768178632 1080377614 /nfs/dbraw/zinc/37/76/14/1080377614.db2.gz VMQVKNZQEMHPDC-AJYUKVHDSA-N 0 3 407.555 2.247 20 0 HEADHN C[C@H]1C[C@@H](N(C)C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CCN1C ZINC000768175052 1080387022 /nfs/dbraw/zinc/38/70/22/1080387022.db2.gz HRNBJJGKFWTTOG-VGUREELVSA-N 0 3 407.555 2.390 20 0 HEADHN C[C@H](NCc1ccc2c(c1)C(=O)NCC2)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768252851 1080441222 /nfs/dbraw/zinc/44/12/22/1080441222.db2.gz PRPRSXPZRNCOEA-JTSKRJEESA-N 0 3 423.513 2.488 20 0 HEADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)[C@]2(O)CCc3ccccc3C2)cc1 ZINC000786138078 1080460289 /nfs/dbraw/zinc/46/02/89/1080460289.db2.gz PKBSTRKCZLBBES-VWLOTQADSA-N 0 3 421.541 2.048 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000786247170 1080487171 /nfs/dbraw/zinc/48/71/71/1080487171.db2.gz BNTKMDQTZJWRIU-PXNSSMCTSA-N 0 3 414.554 2.014 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000786325772 1080563011 /nfs/dbraw/zinc/56/30/11/1080563011.db2.gz FVCHZYUWGCXULE-DLBZAZTESA-N 0 3 421.925 2.437 20 0 HEADHN Cc1cccc(-c2nnc(SCC(=O)NC[C@@H](c3ccccc3)N(C)C)n2N)c1 ZINC000768442769 1080563387 /nfs/dbraw/zinc/56/33/87/1080563387.db2.gz OJRKXXGVLJDQRV-SFHVURJKSA-N 0 3 410.547 2.479 20 0 HEADHN C[C@@H](NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1)C1=CCN(C)CC1 ZINC000786414176 1080591714 /nfs/dbraw/zinc/59/17/14/1080591714.db2.gz PVPUMROIBDUCJR-MRXNPFEDSA-N 0 3 422.570 2.097 20 0 HEADHN CN(C)Cc1cccc(NC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499408 1080594396 /nfs/dbraw/zinc/59/43/96/1080594396.db2.gz ZPLUKWCRKMQDJD-GOSISDBHSA-N 0 3 405.543 2.421 20 0 HEADHN COC(=O)CCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 ZINC000786423764 1080595445 /nfs/dbraw/zinc/59/54/45/1080595445.db2.gz JNSSRZXDCDYDSO-LJQANCHMSA-N 0 3 401.507 2.208 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@H](c2ccc(C)cc2)N(C)C)n1 ZINC000786731242 1080780804 /nfs/dbraw/zinc/78/08/04/1080780804.db2.gz GKJPQUPMTIONDY-GOSISDBHSA-N 0 3 421.567 2.359 20 0 HEADHN COc1ccc(CNC(=O)COC(=O)CCN2CCc3ccccc3C2)cc1OC ZINC000786829542 1080827716 /nfs/dbraw/zinc/82/77/16/1080827716.db2.gz SRGIMWKIJIABHW-UHFFFAOYSA-N 0 3 412.486 2.312 20 0 HEADHN O=C(CN1C(=O)NC2(CCCCC2)C1=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772690138 1080834982 /nfs/dbraw/zinc/83/49/82/1080834982.db2.gz MUWDLNKHCHWADH-UHFFFAOYSA-N 0 3 403.479 2.290 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCN2Cc2ccc(OC)cc2)CC1 ZINC001169997520 1080840847 /nfs/dbraw/zinc/84/08/47/1080840847.db2.gz ASPJCIJPQZTKHV-OAQYLSRUSA-N 0 3 401.551 2.373 20 0 HEADHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cc3ccc(Cl)nc3cc2F)CC1 ZINC000786870377 1080862088 /nfs/dbraw/zinc/86/20/88/1080862088.db2.gz WIHYTWMKISCLBK-ZDUSSCGKSA-N 0 3 414.934 2.332 20 0 HEADHN CCN1CCN([C@H](C)CNS(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000786868825 1080862182 /nfs/dbraw/zinc/86/21/82/1080862182.db2.gz JAZUDFJQOHDJER-JEMSNHSXSA-N 0 3 416.385 2.365 20 0 HEADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000768953525 1080881403 /nfs/dbraw/zinc/88/14/03/1080881403.db2.gz WBAWDSVGKWDIPD-PMACEKPBSA-N 0 3 405.539 2.364 20 0 HEADHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000787009214 1080927520 /nfs/dbraw/zinc/92/75/20/1080927520.db2.gz VQSWFFLCRILWPG-HZPDHXFCSA-N 0 3 424.567 2.014 20 0 HEADHN CS(=O)(=O)c1nc(C(=O)OCC2CCN(Cc3ccco3)CC2)c2ccccn21 ZINC000772693083 1080957475 /nfs/dbraw/zinc/95/74/75/1080957475.db2.gz ZWUDZIKUMOOQAT-UHFFFAOYSA-N 0 3 417.487 2.400 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccccc3CO)cc2)CC1 ZINC000787067702 1080976800 /nfs/dbraw/zinc/97/68/00/1080976800.db2.gz ZSMUDHUDLAPSPE-UHFFFAOYSA-N 0 3 411.502 2.045 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)CN(CCc2ccccc2)C(C)=O)CC1 ZINC001170000944 1080985798 /nfs/dbraw/zinc/98/57/98/1080985798.db2.gz ZKWVDSLXCRTBKV-UHFFFAOYSA-N 0 3 401.551 2.181 20 0 HEADHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000769313396 1081039652 /nfs/dbraw/zinc/03/96/52/1081039652.db2.gz NJXRBHVBTTVMMX-QGZVFWFLSA-N 0 3 418.586 2.354 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccccc1-n1cncn1 ZINC000769334030 1081045442 /nfs/dbraw/zinc/04/54/42/1081045442.db2.gz MMTJZMBCRGARCZ-UHFFFAOYSA-N 0 3 400.527 2.252 20 0 HEADHN CCN1CCN(C(=O)CC2CCN(Cc3cc(OC)ccc3OCOC)CC2)CC1 ZINC000769337947 1081047619 /nfs/dbraw/zinc/04/76/19/1081047619.db2.gz MWVJPCINCBHOES-UHFFFAOYSA-N 0 3 419.566 2.444 20 0 HEADHN C[C@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)N1CCC(C)CC1 ZINC000769367122 1081054714 /nfs/dbraw/zinc/05/47/14/1081054714.db2.gz BBOXIKYHGKZVRD-MRXNPFEDSA-N 0 3 411.493 2.482 20 0 HEADHN CN(CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661856 1081055338 /nfs/dbraw/zinc/05/53/38/1081055338.db2.gz QTCPCZORQAPVMN-SFHVURJKSA-N 0 3 403.523 2.438 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCCCCC2)nc1)N1CCCCC1 ZINC000787201035 1081060060 /nfs/dbraw/zinc/06/00/60/1081060060.db2.gz WXIBVLHLYKCXFT-SFHVURJKSA-N 0 3 401.555 2.069 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1OC(C)C ZINC000787233221 1081081999 /nfs/dbraw/zinc/08/19/99/1081081999.db2.gz VIDAULLOVMGRRL-SJORKVTESA-N 0 3 405.539 2.335 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787265367 1081099601 /nfs/dbraw/zinc/09/96/01/1081099601.db2.gz ZLDNVTWCISCOPL-YJBOKZPZSA-N 0 3 410.559 2.184 20 0 HEADHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599809 1081137645 /nfs/dbraw/zinc/13/76/45/1081137645.db2.gz OHAZSRBIZAOTNL-RDJZCZTQSA-N 0 3 411.543 2.459 20 0 HEADHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599809 1081137649 /nfs/dbraw/zinc/13/76/49/1081137649.db2.gz OHAZSRBIZAOTNL-RDJZCZTQSA-N 0 3 411.543 2.459 20 0 HEADHN CN(C)[C@@H](CNC(=O)c1nccn2c(Br)cnc12)Cc1ccccc1 ZINC000769627328 1081144546 /nfs/dbraw/zinc/14/45/46/1081144546.db2.gz JAWIJDGUAXOHPY-CQSZACIVSA-N 0 3 402.296 2.395 20 0 HEADHN CC(C)N(C)Cc1nn(C(F)(F)c2cnc(Cl)cc2C(N)=O)c2c1CCNC2 ZINC001164679506 719635791 /nfs/dbraw/zinc/63/57/91/719635791.db2.gz DGTNFIPLIFZHSB-UHFFFAOYSA-N 0 3 412.872 2.114 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3cccc(OC)c31)CC2 ZINC001164684686 719722781 /nfs/dbraw/zinc/72/27/81/719722781.db2.gz JNERWXYBYDBWKX-UHFFFAOYSA-N 0 3 403.914 2.473 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c1ncn3C(C)C)CC2 ZINC001164686628 719731673 /nfs/dbraw/zinc/73/16/73/719731673.db2.gz QILUGSHTBYFXMY-UHFFFAOYSA-N 0 3 405.934 2.241 20 0 HEADHN CC(C)N1[C@@H]2CCN(c3ccc(S(C)(=O)=O)cn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164835642 720589502 /nfs/dbraw/zinc/58/95/02/720589502.db2.gz CCTOTUAOCMXOAK-ZIFCJYIRSA-N 0 3 403.552 2.059 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc2c1 ZINC001164737060 720681502 /nfs/dbraw/zinc/68/15/02/720681502.db2.gz CUADPXXIAVKDPL-ROUUACIJSA-N 0 3 405.458 2.153 20 0 HEADHN COc1cc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OC ZINC001164737843 720707812 /nfs/dbraw/zinc/70/78/12/720707812.db2.gz HIRFFDCQKKBRDO-SJORKVTESA-N 0 3 407.474 2.384 20 0 HEADHN Clc1ccc(CN2CCCC2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741399 720714720 /nfs/dbraw/zinc/71/47/20/720714720.db2.gz SXAKCBBYLFQFNK-ROUUACIJSA-N 0 3 414.941 2.463 20 0 HEADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164741909 720727322 /nfs/dbraw/zinc/72/73/22/720727322.db2.gz NIJVSYGEGGNQRQ-IRXDYDNUSA-N 0 3 405.458 2.153 20 0 HEADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)CC1 ZINC001164746908 720759858 /nfs/dbraw/zinc/75/98/58/720759858.db2.gz YYCBGPDXBVWCTA-PMACEKPBSA-N 0 3 422.533 2.086 20 0 HEADHN COc1ccccc1-c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncn1 ZINC001164742931 720770545 /nfs/dbraw/zinc/77/05/45/720770545.db2.gz POOYKEYSOCAINH-IAGOWNOFSA-N 0 3 404.474 2.284 20 0 HEADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164748293 720785916 /nfs/dbraw/zinc/78/59/16/720785916.db2.gz QJCOLTNGEFRUKB-RBUKOAKNSA-N 0 3 403.490 2.287 20 0 HEADHN Cc1nc(C)c(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)s1 ZINC001164746028 720794295 /nfs/dbraw/zinc/79/42/95/720794295.db2.gz LLKRKGUVFVLIEI-CVEARBPZSA-N 0 3 409.519 2.349 20 0 HEADHN c1cc(-c2nc(C3CC3)no2)cc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164742735 720796785 /nfs/dbraw/zinc/79/67/85/720796785.db2.gz DEOCLMJUJIMRQV-IRXDYDNUSA-N 0 3 405.462 2.141 20 0 HEADHN O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164851478 720817073 /nfs/dbraw/zinc/81/70/73/720817073.db2.gz LMKTTXXHUADGAK-RCZVLFRGSA-N 0 3 420.557 2.489 20 0 HEADHN Cc1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C(N)=O ZINC001164867064 721050114 /nfs/dbraw/zinc/05/01/14/721050114.db2.gz HFJRPSGVGLIOFN-HOTGVXAUSA-N 0 3 401.898 2.017 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870496 721056687 /nfs/dbraw/zinc/05/66/87/721056687.db2.gz WCHPWJPPFGZRMR-RBUKOAKNSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164867406 721058293 /nfs/dbraw/zinc/05/82/93/721058293.db2.gz ISPWBXRNKNHBHK-VQTJNVASSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164769567 721087275 /nfs/dbraw/zinc/08/72/75/721087275.db2.gz OVOMECOTABEQDF-MSOLQXFVSA-N 0 3 406.490 2.108 20 0 HEADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869751 721173271 /nfs/dbraw/zinc/17/32/71/721173271.db2.gz AULBNJAHMLMLTB-QZTJIDSGSA-N 0 3 411.506 2.090 20 0 HEADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164774396 721177247 /nfs/dbraw/zinc/17/72/47/721177247.db2.gz YYJMHWYFBWTOCL-CZHQAMEJSA-N 0 3 420.517 2.441 20 0 HEADHN O=C(N[C@H]1CCO[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1cnccn1 ZINC001164870160 721215101 /nfs/dbraw/zinc/21/51/01/721215101.db2.gz FZHSGYPEMVVADQ-CVDCTZTESA-N 0 3 422.533 2.025 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]3C2)nc1)C1CC1 ZINC001164879024 721308903 /nfs/dbraw/zinc/30/89/03/721308903.db2.gz MKQQZGHWSRTTSB-RTBURBONSA-N 0 3 412.559 2.433 20 0 HEADHN COC(OC)c1cc(C)cnc1N1CC[C@]2(C1)CCC[C@@H](CN1CCN(C)CC1)O2 ZINC001164898763 721427042 /nfs/dbraw/zinc/42/70/42/721427042.db2.gz WWUGFEJUJUJTMI-CVDCTZTESA-N 0 3 418.582 2.447 20 0 HEADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164900014 721513284 /nfs/dbraw/zinc/51/32/84/721513284.db2.gz NBUNWNPQXREPFE-IRLDBZIGSA-N 0 3 412.509 2.395 20 0 HEADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(CN5CCOCC5)cn4)CCN3C2)c1 ZINC001164900015 721514079 /nfs/dbraw/zinc/51/40/79/721514079.db2.gz NBUNWNPQXREPFE-RBBKRZOGSA-N 0 3 412.509 2.395 20 0 HEADHN COC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1OC ZINC001164901305 721516851 /nfs/dbraw/zinc/51/68/51/721516851.db2.gz WNZUEKYAHYKOHZ-NVXWUHKLSA-N 0 3 401.438 2.358 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164898819 721522945 /nfs/dbraw/zinc/52/29/45/721522945.db2.gz JKQSQSCTISLPIT-JSGCOSHPSA-N 0 3 408.836 2.454 20 0 HEADHN CCOC(=O)c1cnc(C)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900022 721524769 /nfs/dbraw/zinc/52/47/69/721524769.db2.gz NDQJRMHJGQIHLC-FUHWJXTLSA-N 0 3 400.454 2.443 20 0 HEADHN CCOC(=O)c1ncnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C ZINC001164910683 721539239 /nfs/dbraw/zinc/53/92/39/721539239.db2.gz UPFOEOFNQMOJOU-WMZOPIPTSA-N 0 3 400.454 2.443 20 0 HEADHN CCOC(=O)Cc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164909171 721546108 /nfs/dbraw/zinc/54/61/08/721546108.db2.gz QUWDCKJLERGSQU-PKOBYXMFSA-N 0 3 400.454 2.063 20 0 HEADHN CN1CCOc2c(Cl)nnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164903076 721549483 /nfs/dbraw/zinc/54/94/83/721549483.db2.gz CBVDVDOURHTXQM-GOEBONIOSA-N 0 3 419.888 2.440 20 0 HEADHN O=c1ccccn1-c1nccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903142 721557310 /nfs/dbraw/zinc/55/73/10/721557310.db2.gz AZXOONIORAFGMM-HKUYNNGSSA-N 0 3 407.449 2.109 20 0 HEADHN CON(C)C(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910341 721560389 /nfs/dbraw/zinc/56/03/89/721560389.db2.gz WHOQJAOQRMDUEY-PKOBYXMFSA-N 0 3 400.454 2.196 20 0 HEADHN c1ncn(Cc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2)n1 ZINC001164960738 722059932 /nfs/dbraw/zinc/05/99/32/722059932.db2.gz KCKGIHMJZSQWNK-UHFFFAOYSA-N 0 3 419.533 2.235 20 0 HEADHN Cc1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C(N)=O ZINC001164985155 722102162 /nfs/dbraw/zinc/10/21/62/722102162.db2.gz VCGDMYBUDGHHQU-IAGOWNOFSA-N 0 3 415.925 2.265 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981361 722107673 /nfs/dbraw/zinc/10/76/73/722107673.db2.gz LEKAGVUIWBSNSR-RHSMWYFYSA-N 0 3 419.888 2.095 20 0 HEADHN F[C@H](Oc1ccc(Cl)nn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975310 722157170 /nfs/dbraw/zinc/15/71/70/722157170.db2.gz SCZNALNGQSVXOM-BXWFABGCSA-N 0 3 407.877 2.380 20 0 HEADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000769659598 1078498727 /nfs/dbraw/zinc/49/87/27/1078498727.db2.gz HPYJKCIMOZEWJP-OAHLLOKOSA-N 0 3 404.536 2.422 20 0 HEADHN COCCN1CCC(NC(=O)N[C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000745780008 1078639772 /nfs/dbraw/zinc/63/97/72/1078639772.db2.gz GWQHIFFPTUOUGQ-AEFFLSMTSA-N 0 3 412.575 2.480 20 0 HEADHN C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000745783176 1078641360 /nfs/dbraw/zinc/64/13/60/1078641360.db2.gz ZDGCZCMCIKIQRE-VQIMIIECSA-N 0 3 404.511 2.456 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000745796589 1078651062 /nfs/dbraw/zinc/65/10/62/1078651062.db2.gz CBRNVWYWQLMKBM-ZWKOTPCHSA-N 0 3 412.575 2.386 20 0 HEADHN CCOC(=O)N1CC[C@@H](NC(=O)Nc2ccc(N3CCN(CC)CC3)cc2C)C1 ZINC000769955154 1078651298 /nfs/dbraw/zinc/65/12/98/1078651298.db2.gz IUSFPPGXFZLBMT-QGZVFWFLSA-N 0 3 403.527 2.489 20 0 HEADHN C[C@H]1CN(CCCCNC(=O)c2nccn3c(Br)cnc23)C[C@H](C)O1 ZINC000769959622 1078652357 /nfs/dbraw/zinc/65/23/57/1078652357.db2.gz NIGLAZZJJOYIIY-STQMWFEESA-N 0 3 410.316 2.111 20 0 HEADHN CC(=O)Nc1ccc(OC[C@@H](O)CN(C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745944125 1078708741 /nfs/dbraw/zinc/70/87/41/1078708741.db2.gz PGRKNRMSCAOCCB-MSOLQXFVSA-N 0 3 407.511 2.326 20 0 HEADHN COc1cccc(OC)c1OC[C@H](O)CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945567 1078709119 /nfs/dbraw/zinc/70/91/19/1078709119.db2.gz VRRGYEDSMAUYSH-JKSUJKDBSA-N 0 3 410.511 2.385 20 0 HEADHN Cc1cncc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)c1 ZINC001170013065 1078731067 /nfs/dbraw/zinc/73/10/67/1078731067.db2.gz BTGQGEYFDYGWOL-SJORKVTESA-N 0 3 406.552 2.391 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770174104 1078769801 /nfs/dbraw/zinc/76/98/01/1078769801.db2.gz RVGXGIBKBNGWLL-LJQANCHMSA-N 0 3 416.566 2.177 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cnn(-c2ccccc2)c1Br ZINC000770174084 1078769867 /nfs/dbraw/zinc/76/98/67/1078769867.db2.gz RLRSINRPMIIFCN-OAHLLOKOSA-N 0 3 420.355 2.391 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000770174102 1078769957 /nfs/dbraw/zinc/76/99/57/1078769957.db2.gz RVGXGIBKBNGWLL-IBGZPJMESA-N 0 3 416.566 2.177 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1=O ZINC000746160333 1078812578 /nfs/dbraw/zinc/81/25/78/1078812578.db2.gz ZZNVCIMGEKYAET-SFHVURJKSA-N 0 3 414.594 2.479 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000746223461 1078825923 /nfs/dbraw/zinc/82/59/23/1078825923.db2.gz DRQFSKRFFKBQND-WOJBJXKFSA-N 0 3 417.550 2.169 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000770298926 1078821482 /nfs/dbraw/zinc/82/14/82/1078821482.db2.gz MOSIPBWZKGIKQT-QZTJIDSGSA-N 0 3 408.587 2.166 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000746218324 1078824630 /nfs/dbraw/zinc/82/46/30/1078824630.db2.gz FKEUPRUZADFTPL-XXBNENTESA-N 0 3 417.550 2.169 20 0 HEADHN C[C@](O)(C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)c1cccc(C(F)(F)F)c1 ZINC000746219645 1078824888 /nfs/dbraw/zinc/82/48/88/1078824888.db2.gz LYUBBPPXWWNSAG-TZIWHRDSSA-N 0 3 422.447 2.448 20 0 HEADHN CC(C)(C)OC(=O)N(CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)CC1CC1 ZINC000746223000 1078825599 /nfs/dbraw/zinc/82/55/99/1078825599.db2.gz DDXFSKYGHLNEJQ-HXUWFJFHSA-N 0 3 417.550 2.169 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N(CCC(=O)OC)C3CCOCC3)cc2)CC1 ZINC000746331471 1078861814 /nfs/dbraw/zinc/86/18/14/1078861814.db2.gz BOQJHYWTSMBWSD-UHFFFAOYSA-N 0 3 403.523 2.013 20 0 HEADHN CN(C(=O)c1ccc(F)c(S(N)(=O)=O)c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746357950 1078872816 /nfs/dbraw/zinc/87/28/16/1078872816.db2.gz UHWNGQIXVJMHLO-QGZVFWFLSA-N 0 3 405.495 2.210 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CCC(=O)c3ccccn3)cc2)CC1 ZINC000770487631 1078878125 /nfs/dbraw/zinc/87/81/25/1078878125.db2.gz MMRHBSFQQBWQEY-UHFFFAOYSA-N 0 3 424.501 2.368 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770520716 1078882758 /nfs/dbraw/zinc/88/27/58/1078882758.db2.gz GQXSHRXPTGYHGQ-PMACEKPBSA-N 0 3 403.523 2.214 20 0 HEADHN CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)CC1CCCC1 ZINC000746387918 1078890031 /nfs/dbraw/zinc/89/00/31/1078890031.db2.gz ZZYNEKJVQQCOCO-WJDWOHSUSA-N 0 3 405.564 2.253 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000770603219 1078912069 /nfs/dbraw/zinc/91/20/69/1078912069.db2.gz HECZLMJTMGNMMU-XMSQKQJNSA-N 0 3 423.602 2.055 20 0 HEADHN C[C@@H](CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)CN1CCN(C)CC1 ZINC000766355744 1078910866 /nfs/dbraw/zinc/91/08/66/1078910866.db2.gz QFDLREBUXACOAP-FPOVZHCZSA-N 0 3 416.566 2.035 20 0 HEADHN COc1cccc(/C=C(/C(=O)N2CCN(C3CCCCC3)CC2)n2nnnc2C)c1 ZINC000766366013 1078920643 /nfs/dbraw/zinc/92/06/43/1078920643.db2.gz PQKJLXMSCVTFAS-PGMHBOJBSA-N 0 3 410.522 2.465 20 0 HEADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC000770658634 1078922674 /nfs/dbraw/zinc/92/26/74/1078922674.db2.gz NDCGAPPJXULVDJ-QGZVFWFLSA-N 0 3 422.547 2.440 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000770654264 1078940467 /nfs/dbraw/zinc/94/04/67/1078940467.db2.gz GGXNQPATJGOISU-APWZRJJASA-N 0 3 405.564 2.098 20 0 HEADHN Cc1nn(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374822 1078941998 /nfs/dbraw/zinc/94/19/98/1078941998.db2.gz JIIWLFASQIMBLU-IRXDYDNUSA-N 0 3 416.595 2.363 20 0 HEADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001168791025 1078988750 /nfs/dbraw/zinc/98/87/50/1078988750.db2.gz CLEHSHWUZFVHMI-QHCPKHFHSA-N 0 3 422.533 2.131 20 0 HEADHN CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCOc1ccc(F)cc1 ZINC001109721406 1079003808 /nfs/dbraw/zinc/00/38/08/1079003808.db2.gz BXIVQGNERYABQP-XZEJUNMKSA-N 0 3 403.498 2.040 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000770802781 1079025664 /nfs/dbraw/zinc/02/56/64/1079025664.db2.gz QREGHYSSTUDBKC-IBGZPJMESA-N 0 3 424.545 2.346 20 0 HEADHN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)N2CCN(C)C(C)(C)CC2)c1 ZINC001168799774 1079040259 /nfs/dbraw/zinc/04/02/59/1079040259.db2.gz YFQCXUFVEXBTTH-UHFFFAOYSA-N 0 3 416.551 2.102 20 0 HEADHN NC(=O)[C@](O)(C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)c1ccccc1 ZINC001168847583 1079060316 /nfs/dbraw/zinc/06/03/16/1079060316.db2.gz CREJGTZNEVZOAQ-NRFANRHFSA-N 0 3 417.893 2.069 20 0 HEADHN CCS(=O)(=O)c1ccc(CN[C@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cn1 ZINC001168881152 1079067880 /nfs/dbraw/zinc/06/78/80/1079067880.db2.gz ODDSOZHCWLHEGC-SFHVURJKSA-N 0 3 417.531 2.165 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(CCc4ccncc4)CC3)CC2=O)cc1 ZINC001168943468 1079081832 /nfs/dbraw/zinc/08/18/32/1079081832.db2.gz VYQICKAPGZKQKO-QFIPXVFZSA-N 0 3 408.546 2.442 20 0 HEADHN Cc1nn(C(C)(C)C)cc1[C@H](C)NCCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC001168968720 1079093361 /nfs/dbraw/zinc/09/33/61/1079093361.db2.gz MPKYCEFEOWWGBG-ZDUSSCGKSA-N 0 3 407.540 2.273 20 0 HEADHN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CN3CC[C@@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003438 1079097361 /nfs/dbraw/zinc/09/73/61/1079097361.db2.gz HPVBIJKXCMXDEY-QZTJIDSGSA-N 0 3 422.570 2.329 20 0 HEADHN CC(C)(C)OC(=O)N1CCC2(CO[C@@H](CN3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003441 1079097387 /nfs/dbraw/zinc/09/73/87/1079097387.db2.gz HPVBIJKXCMXDEY-ZWKOTPCHSA-N 0 3 422.570 2.329 20 0 HEADHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771041195 1079099788 /nfs/dbraw/zinc/09/97/88/1079099788.db2.gz UMRKJOWSKHQQEW-UXHICEINSA-N 0 3 403.523 2.307 20 0 HEADHN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN[C@H](CO)c2cnn(C)c2)cc1 ZINC001169043063 1079109225 /nfs/dbraw/zinc/10/92/25/1079109225.db2.gz CTBZSNJATSXFMY-QFBILLFUSA-N 0 3 404.511 2.360 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(OC)cc3C)cc2)CC1 ZINC000766579910 1079118990 /nfs/dbraw/zinc/11/89/90/1079118990.db2.gz CAZICMGLIYJKNC-UHFFFAOYSA-N 0 3 410.518 2.400 20 0 HEADHN Cc1cccc(CN2CC[C@@H](NC(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCN3C)C2)c1 ZINC001169149872 1079166572 /nfs/dbraw/zinc/16/65/72/1079166572.db2.gz OXIMTKKHUABEGK-WOJBJXKFSA-N 0 3 416.566 2.237 20 0 HEADHN CNS(=O)(=O)c1ccc(CCC(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)cc1 ZINC001169150735 1079166689 /nfs/dbraw/zinc/16/66/89/1079166689.db2.gz UUOVXWNFDKJHKJ-FQEVSTJZSA-N 0 3 415.559 2.226 20 0 HEADHN CCCN(CCNC(=O)C(=O)N1CCCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC000804309383 1079190136 /nfs/dbraw/zinc/19/01/36/1079190136.db2.gz CMOUKUOPDUHUMK-UHFFFAOYSA-N 0 3 412.575 2.083 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000771138825 1079188444 /nfs/dbraw/zinc/18/84/44/1079188444.db2.gz GLSMMIGXLXSXLU-UHFFFAOYSA-N 0 3 407.534 2.200 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388543 1079258699 /nfs/dbraw/zinc/25/86/99/1079258699.db2.gz ASPZIDWDCOMFOO-TXPKVOOTSA-N 0 3 410.465 2.125 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388542 1079258852 /nfs/dbraw/zinc/25/88/52/1079258852.db2.gz ASPZIDWDCOMFOO-JTDSTZFVSA-N 0 3 410.465 2.125 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CO1 ZINC001169388795 1079259450 /nfs/dbraw/zinc/25/94/50/1079259450.db2.gz QJJPNQCAKPGCKN-MOPGFXCFSA-N 0 3 401.507 2.007 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)CO1 ZINC001169390480 1079260153 /nfs/dbraw/zinc/26/01/53/1079260153.db2.gz VQHVVPIQEJVUJS-OZIGNCPNSA-N 0 3 404.507 2.442 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771315445 1079281267 /nfs/dbraw/zinc/28/12/67/1079281267.db2.gz JWTHWVYDBVSBLU-UHFFFAOYSA-N 0 3 411.591 2.101 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000771319766 1079284574 /nfs/dbraw/zinc/28/45/74/1079284574.db2.gz LMGPMOADFITAHX-QGZVFWFLSA-N 0 3 411.591 2.101 20 0 HEADHN CCN(CC)C(=O)C[C@@H](C)NC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001169460685 1079306222 /nfs/dbraw/zinc/30/62/22/1079306222.db2.gz ZCQODVSNSQCASZ-CABCVRRESA-N 0 3 401.548 2.458 20 0 HEADHN CCN(CC)C(=O)C[C@H](C)n1nc(C(=O)N(C)Cc2ccccn2)c2c1CCNC2 ZINC001169468487 1079308893 /nfs/dbraw/zinc/30/88/93/1079308893.db2.gz XDNDNWHUDHTEPJ-INIZCTEOSA-N 0 3 412.538 2.016 20 0 HEADHN NC(=O)c1cc(Oc2cccc(OC(=O)C3CC[C@H](C(F)(F)F)NC3=O)c2)ccn1 ZINC000766723922 1079313316 /nfs/dbraw/zinc/31/33/16/1079313316.db2.gz HFLHCOJKQDPHAZ-UKRRQHHQSA-N 0 3 423.347 2.335 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)COCCNC(=O)c1ccccc1 ZINC001169541049 1079326537 /nfs/dbraw/zinc/32/65/37/1079326537.db2.gz PDRLKMHSGKCSOC-DENIHFKCSA-N 0 3 409.530 2.460 20 0 HEADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(CN(C)C)ccc2C)C1=O ZINC000771545819 1079363805 /nfs/dbraw/zinc/36/38/05/1079363805.db2.gz NHVUHDURFOIGOM-QHCPKHFHSA-N 0 3 424.501 2.471 20 0 HEADHN CN(C[C@H](O)CN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001169687640 1079369178 /nfs/dbraw/zinc/36/91/78/1079369178.db2.gz UXQFWFLJNACIEK-MGPUTAFESA-N 0 3 401.548 2.451 20 0 HEADHN CN(C[C@@H](O)CN1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001169687641 1079369303 /nfs/dbraw/zinc/36/93/03/1079369303.db2.gz UXQFWFLJNACIEK-QRWLVFNGSA-N 0 3 401.548 2.451 20 0 HEADHN CCOC(=O)N1CCC[C@@H](n2nc(C(=O)N3CCC[C@H]3C)c3c2CCNC3)CC1 ZINC001169694435 1079374797 /nfs/dbraw/zinc/37/47/97/1079374797.db2.gz QQKJDISZGKMBHF-HZPDHXFCSA-N 0 3 403.527 2.337 20 0 HEADHN Cc1cccc(CNC(=O)Cc2noc([C@@]3(O)CCN(Cc4ccccc4)C3)n2)c1 ZINC000771623160 1079406198 /nfs/dbraw/zinc/40/61/98/1079406198.db2.gz JFIMTWRSGLNPIN-HSZRJFAPSA-N 0 3 406.486 2.330 20 0 HEADHN CN(Cc1ccccc1)C(=O)Cc1noc([C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000771646927 1079421279 /nfs/dbraw/zinc/42/12/79/1079421279.db2.gz SRHNIKJOFYDIFQ-QHCPKHFHSA-N 0 3 406.486 2.364 20 0 HEADHN CN1CCN(CCCNC(=O)[C@@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737772898 1075927866 /nfs/dbraw/zinc/92/78/66/1075927866.db2.gz MXTZEAFMEJMGIO-QFIPXVFZSA-N 0 3 424.545 2.408 20 0 HEADHN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000737830773 1075934850 /nfs/dbraw/zinc/93/48/50/1075934850.db2.gz LGMJNNLTLRKKTB-INIZCTEOSA-N 0 3 410.559 2.011 20 0 HEADHN CCCN(Cn1cc(S(=O)(=O)N(C)C)cn1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000738041804 1075955698 /nfs/dbraw/zinc/95/56/98/1075955698.db2.gz PBCWWQUNCDWUTM-HXUWFJFHSA-N 0 3 419.595 2.468 20 0 HEADHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000738317113 1075988358 /nfs/dbraw/zinc/98/83/58/1075988358.db2.gz ILXKHICMMDQWDU-SIKLNZKXSA-N 0 3 416.566 2.037 20 0 HEADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738367839 1075991484 /nfs/dbraw/zinc/99/14/84/1075991484.db2.gz YXDYPNPHPCADCI-ZDUSSCGKSA-N 0 3 409.383 2.425 20 0 HEADHN C[C@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000739067658 1076035542 /nfs/dbraw/zinc/03/55/42/1076035542.db2.gz LKCOYDVHMJHNBW-PGRDOPGGSA-N 0 3 424.545 2.139 20 0 HEADHN C[C@@H]1CCC[C@@H](C)N1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739090308 1076043511 /nfs/dbraw/zinc/04/35/11/1076043511.db2.gz UAOXECFPZXERGP-KZNAEPCWSA-N 0 3 402.539 2.229 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N(C)Cc1ccccc1 ZINC000739091272 1076043916 /nfs/dbraw/zinc/04/39/16/1076043916.db2.gz YBGCLEJQHOWDPN-RBUKOAKNSA-N 0 3 424.545 2.487 20 0 HEADHN O=C(Nc1ccc(N2CCOC2=O)cc1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739116739 1076045397 /nfs/dbraw/zinc/04/53/97/1076045397.db2.gz ALPWMEGKLNONSY-UHFFFAOYSA-N 0 3 400.479 2.059 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739696518 1076072968 /nfs/dbraw/zinc/07/29/68/1076072968.db2.gz JARGOQKHBUHZMD-SJORKVTESA-N 0 3 411.543 2.071 20 0 HEADHN C[C@H](CNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)CN1CCN(C)CC1 ZINC000740756611 1076228173 /nfs/dbraw/zinc/22/81/73/1076228173.db2.gz NDPNUKFYZMNTDG-QYZOEREBSA-N 0 3 403.571 2.305 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NCc1ccc(-n2cncn2)nc1 ZINC000740906810 1076299002 /nfs/dbraw/zinc/29/90/02/1076299002.db2.gz GJCAIWASRRYLFK-GOSISDBHSA-N 0 3 405.506 2.468 20 0 HEADHN Cc1c(C(=O)NC[C@](C)(O)c2ccsc2)nnn1-c1cccc2c1CCN(C)C2 ZINC000740936105 1076314869 /nfs/dbraw/zinc/31/48/69/1076314869.db2.gz HFGRJANIUJVLHA-NRFANRHFSA-N 0 3 411.531 2.263 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H](CCO)c3ccccc3)cc2)CC1 ZINC000741104834 1076376194 /nfs/dbraw/zinc/37/61/94/1076376194.db2.gz LCWGKMZDOYCJGN-FQEVSTJZSA-N 0 3 424.545 2.049 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1cccc(CN2CCOC2=O)c1 ZINC000741391602 1076519310 /nfs/dbraw/zinc/51/93/10/1076519310.db2.gz OCQNENQQFFPBOG-QHCPKHFHSA-N 0 3 424.501 2.397 20 0 HEADHN CCS(=O)(=O)NCc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)cc1 ZINC000741671518 1076582360 /nfs/dbraw/zinc/58/23/60/1076582360.db2.gz CCCQGWSINISDLC-UHFFFAOYSA-N 0 3 417.575 2.372 20 0 HEADHN CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000741691205 1076588047 /nfs/dbraw/zinc/58/80/47/1076588047.db2.gz KMHUYEPDKKWBLE-NQIIRXRSSA-N 0 3 400.567 2.163 20 0 HEADHN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742163411 1076760486 /nfs/dbraw/zinc/76/04/86/1076760486.db2.gz RXNPCBVABYWGLZ-VQIMIIECSA-N 0 3 408.424 2.376 20 0 HEADHN C[C@]1(c2ccccc2Br)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742162237 1076773180 /nfs/dbraw/zinc/77/31/80/1076773180.db2.gz DLAMESJLGFYDHH-AUUYWEPGSA-N 0 3 419.323 2.120 20 0 HEADHN CC1N=NC(=S)N1CCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000742182694 1076798143 /nfs/dbraw/zinc/79/81/43/1076798143.db2.gz LWVZNXJKBCTNOR-KRWDZBQOSA-N 0 3 413.469 2.446 20 0 HEADHN CC(C)CN1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 ZINC000742252163 1076810009 /nfs/dbraw/zinc/81/00/09/1076810009.db2.gz PTZLGWJMQGVVLS-UHFFFAOYSA-N 0 3 424.498 2.033 20 0 HEADHN CN1CCC[C@@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293460 1076819832 /nfs/dbraw/zinc/81/98/32/1076819832.db2.gz IDDNMTLYGVIJQO-OALUTQOASA-N 0 3 409.552 2.049 20 0 HEADHN CCN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)cc2S1(=O)=O ZINC000742397069 1076834073 /nfs/dbraw/zinc/83/40/73/1076834073.db2.gz LHBKCMSTECXAFY-SFHVURJKSA-N 0 3 415.515 2.192 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000742599147 1076854851 /nfs/dbraw/zinc/85/48/51/1076854851.db2.gz SHXMHDFIWOEHIX-QYZOEREBSA-N 0 3 403.523 2.274 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742637226 1076859927 /nfs/dbraw/zinc/85/99/27/1076859927.db2.gz YDBAWTCWERQVBK-UHFFFAOYSA-N 0 3 410.518 2.287 20 0 HEADHN C[C@H]1NC(C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000742791043 1076879654 /nfs/dbraw/zinc/87/96/54/1076879654.db2.gz JTOUMGPTQZICAB-XLIONFOSSA-N 0 3 405.502 2.058 20 0 HEADHN CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000742867009 1076890083 /nfs/dbraw/zinc/89/00/83/1076890083.db2.gz GMCLGRKXHTYJCH-ZDUSSCGKSA-N 0 3 415.506 2.209 20 0 HEADHN CCO[C@@H](C)c1nc(CN2CCN(C(=S)NC3CCN(C)CC3)CC2)cs1 ZINC000743007193 1076923378 /nfs/dbraw/zinc/92/33/78/1076923378.db2.gz AAAYIDAQGNJENI-HNNXBMFYSA-N 0 3 411.641 2.327 20 0 HEADHN CCN(CC)[C@H](CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccsc1 ZINC000743205221 1076996944 /nfs/dbraw/zinc/99/69/44/1076996944.db2.gz QOKXBFSLJNUFAF-OAHLLOKOSA-N 0 3 413.569 2.194 20 0 HEADHN CS(=O)(=O)CCn1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)n1 ZINC000743209793 1077001071 /nfs/dbraw/zinc/00/10/71/1077001071.db2.gz VRYZWSWNOLPPMT-GOSISDBHSA-N 0 3 419.551 2.104 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2nc(CCc3ccccc3)oc2=S)CC1 ZINC000743367682 1077033738 /nfs/dbraw/zinc/03/37/38/1077033738.db2.gz ISLUNVWHMUIYLU-UHFFFAOYSA-N 0 3 415.563 2.188 20 0 HEADHN CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)cc1 ZINC000743414599 1077049860 /nfs/dbraw/zinc/04/98/60/1077049860.db2.gz SBSPZNLWPYNGDU-JEZWAEDTSA-N 0 3 401.507 2.438 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NC[C@@H](O)c3cc(OC)cc(OC)c3)cc2)CC1 ZINC000743456664 1077053147 /nfs/dbraw/zinc/05/31/47/1077053147.db2.gz JYWKSWCMRNZEPL-JOCHJYFZSA-N 0 3 413.518 2.309 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@](C)(O)c2ccco2)CC1 ZINC000743546838 1077066525 /nfs/dbraw/zinc/06/65/25/1077066525.db2.gz BQUOVLUSKGGTLF-QFIPXVFZSA-N 0 3 400.523 2.124 20 0 HEADHN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000743593743 1077077759 /nfs/dbraw/zinc/07/77/59/1077077759.db2.gz HEVYTBCCCMHYCQ-STQMWFEESA-N 0 3 422.835 2.295 20 0 HEADHN O=C(NCCOc1ncc(C(F)(F)F)cc1Cl)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000743593742 1077077920 /nfs/dbraw/zinc/07/79/20/1077077920.db2.gz HEVYTBCCCMHYCQ-QWHCGFSZSA-N 0 3 422.835 2.295 20 0 HEADHN CCN1CCN(CCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000743717507 1077095872 /nfs/dbraw/zinc/09/58/72/1077095872.db2.gz GPUCXXVYYHLVPX-IBGZPJMESA-N 0 3 404.555 2.396 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCC2(CC1)OCCO2 ZINC000743840830 1077133331 /nfs/dbraw/zinc/13/33/31/1077133331.db2.gz KPTGMEVWWYYOPS-OALUTQOASA-N 0 3 406.523 2.322 20 0 HEADHN CN(C)CCN(Cc1ccccc1F)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000743886004 1077178504 /nfs/dbraw/zinc/17/85/04/1077178504.db2.gz AGXLRBURXDJQTR-UHFFFAOYSA-N 0 3 423.510 2.407 20 0 HEADHN CSCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000743912283 1077189360 /nfs/dbraw/zinc/18/93/60/1077189360.db2.gz URANLKXKVSYPRA-MAUKXSAKSA-N 0 3 420.579 2.049 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000743917507 1077198584 /nfs/dbraw/zinc/19/85/84/1077198584.db2.gz QJCPEQJRWOCDPL-UHFFFAOYSA-N 0 3 414.506 2.367 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000743895564 1077206256 /nfs/dbraw/zinc/20/62/56/1077206256.db2.gz QNZCAODPHHBMFW-GOSISDBHSA-N 0 3 424.501 2.179 20 0 HEADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743896179 1077207686 /nfs/dbraw/zinc/20/76/86/1077207686.db2.gz BDTIBMUYVKJLAD-DLBZAZTESA-N 0 3 404.580 2.415 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@H]1C ZINC000743906568 1077219156 /nfs/dbraw/zinc/21/91/56/1077219156.db2.gz IVEFVJPOHROHHP-HZPDHXFCSA-N 0 3 402.495 2.269 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)C1 ZINC000743972510 1077275322 /nfs/dbraw/zinc/27/53/22/1077275322.db2.gz NFUPYUGLCJSCCR-GOSISDBHSA-N 0 3 422.485 2.315 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)cc2)CC1 ZINC000743977444 1077290896 /nfs/dbraw/zinc/29/08/96/1077290896.db2.gz IKXHEWSDUMZJFL-NRFANRHFSA-N 0 3 410.518 2.007 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000743979459 1077293008 /nfs/dbraw/zinc/29/30/08/1077293008.db2.gz BPTCINABIZGAGP-HNNXBMFYSA-N 0 3 416.909 2.089 20 0 HEADHN COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCCN1CCC[C@@H]1C ZINC000743979181 1077293214 /nfs/dbraw/zinc/29/32/14/1077293214.db2.gz DDTJPSQQGPFYJZ-ZDUSSCGKSA-N 0 3 417.428 2.270 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1OCc1cccnc1 ZINC000743981799 1077293884 /nfs/dbraw/zinc/29/38/84/1077293884.db2.gz RXXBMOBISMTXDR-INIZCTEOSA-N 0 3 412.490 2.208 20 0 HEADHN CCC(CC)(CNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)SC ZINC000743983519 1077295399 /nfs/dbraw/zinc/29/53/99/1077295399.db2.gz GMKHSXAERFEAGK-UHFFFAOYSA-N 0 3 422.551 2.133 20 0 HEADHN CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000744098525 1077322690 /nfs/dbraw/zinc/32/26/90/1077322690.db2.gz SBLRMLPZAABBJB-UHFFFAOYSA-N 0 3 405.520 2.268 20 0 HEADHN COc1cccc(CN(C)C(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000744399268 1077372586 /nfs/dbraw/zinc/37/25/86/1077372586.db2.gz HXUULBZNXFSKQO-DEOSSOPVSA-N 0 3 411.546 2.270 20 0 HEADHN O=C(CN1CCN(C(=O)CN2CCC3(CCCC3)C2)CC1)Nc1ccc(F)cc1 ZINC000744421784 1077385607 /nfs/dbraw/zinc/38/56/07/1077385607.db2.gz DQQFEJVAWVEMCP-UHFFFAOYSA-N 0 3 402.514 2.175 20 0 HEADHN CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001545681332 1077711348 /nfs/dbraw/zinc/71/13/48/1077711348.db2.gz RVCWFTWHJTUUKV-VVLHAWIVSA-N 0 3 415.604 2.118 20 0 HEADHN CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC000745088402 1077725450 /nfs/dbraw/zinc/72/54/50/1077725450.db2.gz NKTWPNJVRSYFHB-SESVDKBCSA-N 0 3 401.551 2.429 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763658 1079519140 /nfs/dbraw/zinc/51/91/40/1079519140.db2.gz XCOBPWJXLWHTCD-UXHICEINSA-N 0 3 409.534 2.151 20 0 HEADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@@H]1C ZINC000766991285 1079553943 /nfs/dbraw/zinc/55/39/43/1079553943.db2.gz NRZKPYKVGFKJQB-FYWNPIECSA-N 0 3 405.564 2.109 20 0 HEADHN CCOC(=O)C1=C(CN2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)NC(=O)N[C@@H]1C ZINC000766964951 1079560343 /nfs/dbraw/zinc/56/03/43/1079560343.db2.gz BBYFGORKNNCQMJ-YESZJQIVSA-N 0 3 400.523 2.100 20 0 HEADHN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCCCN1CCN(C)CC1 ZINC000771952931 1079600789 /nfs/dbraw/zinc/60/07/89/1079600789.db2.gz KUMDRCLREDKLDE-MSOLQXFVSA-N 0 3 411.591 2.101 20 0 HEADHN CNC(=O)COc1cccc(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)c1 ZINC000772032890 1079658519 /nfs/dbraw/zinc/65/85/19/1079658519.db2.gz MPFVMRBRXLBRNF-IRLDBZIGSA-N 0 3 407.514 2.497 20 0 HEADHN CC(C)c1nnnn1CC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC000746523691 1079671838 /nfs/dbraw/zinc/67/18/38/1079671838.db2.gz UBTLVRHGBDGTCI-UHFFFAOYSA-N 0 3 409.332 2.149 20 0 HEADHN COCC1CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)CC1 ZINC001170037259 1079672793 /nfs/dbraw/zinc/67/27/93/1079672793.db2.gz HCKVFPMOSXFZPH-SJORKVTESA-N 0 3 413.584 2.256 20 0 HEADHN Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)c3ccccc3)C2=O)cc1 ZINC000746528050 1079715557 /nfs/dbraw/zinc/71/55/57/1079715557.db2.gz ANVQEMWHIFFJSW-QHCPKHFHSA-N 0 3 408.502 2.357 20 0 HEADHN O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000772220097 1079745795 /nfs/dbraw/zinc/74/57/95/1079745795.db2.gz HATDYNIWTBPIBJ-QZTJIDSGSA-N 0 3 400.504 2.217 20 0 HEADHN CN(C)C[C@@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)c2ccccc2O1 ZINC000767300580 1079800230 /nfs/dbraw/zinc/80/02/30/1079800230.db2.gz VFZVDNYNBCXAHJ-GOSISDBHSA-N 0 3 418.515 2.279 20 0 HEADHN CCOc1ccccc1NC(=O)CCN1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC000772343826 1079833583 /nfs/dbraw/zinc/83/35/83/1079833583.db2.gz HGAWCXKRJIFVCZ-UHFFFAOYSA-N 0 3 412.490 2.451 20 0 HEADHN NC(=O)c1cc(OC2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)CC2)ccn1 ZINC000772419862 1079866370 /nfs/dbraw/zinc/86/63/70/1079866370.db2.gz BPLQLFBDPBOEML-GOSISDBHSA-N 0 3 423.517 2.008 20 0 HEADHN C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000767463310 1079866797 /nfs/dbraw/zinc/86/67/97/1079866797.db2.gz UXCGFGFQQIRSCZ-UWJYYQICSA-N 0 3 413.566 2.028 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000772487555 1079903007 /nfs/dbraw/zinc/90/30/07/1079903007.db2.gz IAAYCMMTTCRNDQ-IRXDYDNUSA-N 0 3 412.515 2.151 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)c2c3c(nn2C)CCCC3)CC1 ZINC000767579239 1079964638 /nfs/dbraw/zinc/96/46/38/1079964638.db2.gz UMTGYIOFWBVETP-UHFFFAOYSA-N 0 3 424.545 2.499 20 0 HEADHN CN1CCN(CCCCNC(=O)N(C2CC2)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000772606916 1080005432 /nfs/dbraw/zinc/00/54/32/1080005432.db2.gz XWMZZVUQXNFTJQ-LJQANCHMSA-N 0 3 423.602 2.197 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772647455 1080010397 /nfs/dbraw/zinc/01/03/97/1080010397.db2.gz YWSDDHFZRFXTAQ-KRWDZBQOSA-N 0 3 416.349 2.430 20 0 HEADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@H](C)N1CCCCC1)O[C@@H](C)C2 ZINC000785497862 1080020788 /nfs/dbraw/zinc/02/07/88/1080020788.db2.gz AWDCLRAIPXTHRD-HOTGVXAUSA-N 0 3 403.523 2.016 20 0 HEADHN CC(C)[C@H](NC(=O)C(=O)NC[C@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000785504384 1080025129 /nfs/dbraw/zinc/02/51/29/1080025129.db2.gz HRAVSDHBVBLZKA-JXFKEZNVSA-N 0 3 403.523 2.262 20 0 HEADHN O=C(CCn1cncn1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001108944093 1080039659 /nfs/dbraw/zinc/03/96/59/1080039659.db2.gz LIZZCAHIDQZKDL-NSOKGPEJSA-N 0 3 401.461 2.439 20 0 HEADHN CN(C(=O)CCN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)c1ccccc1 ZINC000767743529 1080061337 /nfs/dbraw/zinc/06/13/37/1080061337.db2.gz GXGNTNXCMSZEJW-UHFFFAOYSA-N 0 3 416.547 2.233 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)CC1=O ZINC000785643704 1080092179 /nfs/dbraw/zinc/09/21/79/1080092179.db2.gz ANNDXNXPZPONEN-SQWLQELKSA-N 0 3 408.445 2.412 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2ccc(C)cc2OC)CC1=O ZINC000785646761 1080095643 /nfs/dbraw/zinc/09/56/43/1080095643.db2.gz IPFKZRFRFGKKJN-DLBZAZTESA-N 0 3 402.491 2.062 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)c2c[nH]c3ncccc23)CC1=O ZINC000785652782 1080109166 /nfs/dbraw/zinc/10/91/66/1080109166.db2.gz NQNCGOAEUDAGIQ-ARFHVFGLSA-N 0 3 412.490 2.010 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)CC1=O ZINC000785652789 1080110493 /nfs/dbraw/zinc/11/04/93/1080110493.db2.gz NQNCGOAEUDAGIQ-OWCLPIDISA-N 0 3 412.490 2.010 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000785632406 1080143230 /nfs/dbraw/zinc/14/32/30/1080143230.db2.gz KMEDOPRUSUQROV-CYBMUJFWSA-N 0 3 417.478 2.400 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(CN2CCOC2=O)c1 ZINC000785681801 1080159764 /nfs/dbraw/zinc/15/97/64/1080159764.db2.gz GIQGFWANWDTQKD-MRXNPFEDSA-N 0 3 402.495 2.356 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C)C(=O)c2cc(F)ccc2F)CC1=O ZINC000785654964 1080174142 /nfs/dbraw/zinc/17/41/42/1080174142.db2.gz UQZQRBUEXYOPDE-SQWLQELKSA-N 0 3 408.445 2.412 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)CC1=O ZINC000785657374 1080176912 /nfs/dbraw/zinc/17/69/12/1080176912.db2.gz VYJXCYHRKBXKLA-IEBWSBKVSA-N 0 3 415.534 2.499 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](Cc2ccccc2F)C(C)=O)CC1=O ZINC000785656993 1080178102 /nfs/dbraw/zinc/17/81/02/1080178102.db2.gz WUSPCOBOIKCPEH-QWFCFKBJSA-N 0 3 404.482 2.202 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2[C@@H](C)CC[C@@H]2C)CC1 ZINC000785730723 1080205451 /nfs/dbraw/zinc/20/54/51/1080205451.db2.gz NYCOHLWPHSPDSU-PMACEKPBSA-N 0 3 401.551 2.445 20 0 HEADHN O=C(OCc1cc(=O)n2ccccc2n1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785711760 1080220832 /nfs/dbraw/zinc/22/08/32/1080220832.db2.gz XZWYUZIGRWERTI-UHFFFAOYSA-N 0 3 407.470 2.256 20 0 HEADHN C[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C(=O)NC(=O)NCC(F)(F)F ZINC000785713833 1080222650 /nfs/dbraw/zinc/22/26/50/1080222650.db2.gz LNCIAHQRQBBRMS-LBPRGKRZSA-N 0 3 401.385 2.216 20 0 HEADHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000767907683 1080223222 /nfs/dbraw/zinc/22/32/22/1080223222.db2.gz RHIPRKZRHXIRHK-VPKVUBIPSA-N 0 3 416.522 2.394 20 0 HEADHN CCOC(=O)N1CCC(NC(=O)COC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000785714735 1080223950 /nfs/dbraw/zinc/22/39/50/1080223950.db2.gz RKVLLEHSEVQNPU-UHFFFAOYSA-N 0 3 417.506 2.176 20 0 HEADHN Cc1cc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)ccc1N1C(=O)CCC1=O ZINC000785811174 1080253802 /nfs/dbraw/zinc/25/38/02/1080253802.db2.gz CMZMKIYFZHLVIF-INIZCTEOSA-N 0 3 414.506 2.365 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000785810908 1080254149 /nfs/dbraw/zinc/25/41/49/1080254149.db2.gz WVIYHFLSYYGOCZ-ICSRJNTNSA-N 0 3 415.534 2.357 20 0 HEADHN COCC[S@@](=O)Cc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 ZINC000785816400 1080256108 /nfs/dbraw/zinc/25/61/08/1080256108.db2.gz ONIFKRLUMXSZMC-CQGGRAHPSA-N 0 3 423.579 2.299 20 0 HEADHN COc1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1N1CCOC1=O ZINC000785838515 1080265895 /nfs/dbraw/zinc/26/58/95/1080265895.db2.gz OAWQKPNEPCSMQY-HNNXBMFYSA-N 0 3 418.494 2.369 20 0 HEADHN CC(C)N(CCS(C)(=O)=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC000768039188 1080279857 /nfs/dbraw/zinc/27/98/57/1080279857.db2.gz GKVNYSPNFZGLKF-UHFFFAOYSA-N 0 3 424.611 2.053 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CC3(Cl)Cl)c2)CC1 ZINC000768012615 1080281137 /nfs/dbraw/zinc/28/11/37/1080281137.db2.gz XQWHEBZQNYABQG-AWEZNQCLSA-N 0 3 413.349 2.466 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000785871506 1080291369 /nfs/dbraw/zinc/29/13/69/1080291369.db2.gz JMHZHXMIFJKQBG-FDFHNCONSA-N 0 3 422.529 2.399 20 0 HEADHN CC1(C)CCCN(CCNC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)C1 ZINC000768108206 1080343617 /nfs/dbraw/zinc/34/36/17/1080343617.db2.gz FGYNMCCLYCHQMO-QFIPXVFZSA-N 0 3 403.523 2.310 20 0 HEADHN Cc1cccc([C@H](O)CNC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000768109680 1080344242 /nfs/dbraw/zinc/34/42/42/1080344242.db2.gz XJTWKOBTAXKOTQ-JOCHJYFZSA-N 0 3 424.545 2.314 20 0 HEADHN CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000768169318 1080382120 /nfs/dbraw/zinc/38/21/20/1080382120.db2.gz YQFZAYRJFIZJCT-QWHCGFSZSA-N 0 3 416.305 2.310 20 0 HEADHN Cc1cc(NC(=O)C(=O)NCCN2CCC[C@H]2C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000768177611 1080388446 /nfs/dbraw/zinc/38/84/46/1080388446.db2.gz ZYIHZVWRXJDVTG-CYBMUJFWSA-N 0 3 424.427 2.134 20 0 HEADHN CCN1CCN(C(=O)[C@@H](C)N2CCC(CNC(=O)OCc3ccccc3)CC2)CC1 ZINC000786112273 1080404660 /nfs/dbraw/zinc/40/46/60/1080404660.db2.gz GZCMXTAKYZBXBH-LJQANCHMSA-N 0 3 416.566 2.177 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC000768196115 1080413022 /nfs/dbraw/zinc/41/30/22/1080413022.db2.gz FTPCTELRJNCVEL-OAQYLSRUSA-N 0 3 416.566 2.309 20 0 HEADHN CC(C)(C)OC(=O)Nc1ccc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 ZINC000768234810 1080435386 /nfs/dbraw/zinc/43/53/86/1080435386.db2.gz QTKNWWDESKGFAX-QGZVFWFLSA-N 0 3 404.511 2.499 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000768368905 1080517574 /nfs/dbraw/zinc/51/75/74/1080517574.db2.gz VFWHTTQONNQDQN-NZQKXSOJSA-N 0 3 414.550 2.088 20 0 HEADHN CN(C)C1(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)n2)Cc2ccccc2C1 ZINC000786340603 1080551755 /nfs/dbraw/zinc/55/17/55/1080551755.db2.gz PMVXXPAZXFKQOE-UHFFFAOYSA-N 0 3 406.408 2.254 20 0 HEADHN CO[C@@H]1CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC001170056994 1080570799 /nfs/dbraw/zinc/57/07/99/1080570799.db2.gz ULNWCTZTAPWRQD-VQHPVUNQSA-N 0 3 413.584 2.397 20 0 HEADHN CO[C@@H]1CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC001170056988 1080570949 /nfs/dbraw/zinc/57/09/49/1080570949.db2.gz ULNWCTZTAPWRQD-HZMVEIRTSA-N 0 3 413.584 2.397 20 0 HEADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394011 1080584178 /nfs/dbraw/zinc/58/41/78/1080584178.db2.gz VRNBLTMXMNUMFS-QGZVFWFLSA-N 0 3 424.586 2.321 20 0 HEADHN CN(C)CCn1cc(NC(=O)c2ccc(-n3cnc4ccccc43)nc2)ccc1=O ZINC000768488077 1080599685 /nfs/dbraw/zinc/59/96/85/1080599685.db2.gz SKUISALQFNPNSU-UHFFFAOYSA-N 0 3 402.458 2.396 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)OC)cc2)CC1 ZINC000786444231 1080605464 /nfs/dbraw/zinc/60/54/64/1080605464.db2.gz KWSAYRQLMMZQGW-UCNVEGJOSA-N 0 3 414.550 2.041 20 0 HEADHN C[C@@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000746587415 1080617681 /nfs/dbraw/zinc/61/76/81/1080617681.db2.gz XWZGLNKZGMBINF-SJLPKXTDSA-N 0 3 406.486 2.428 20 0 HEADHN C[C@@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000746587415 1080617690 /nfs/dbraw/zinc/61/76/90/1080617690.db2.gz XWZGLNKZGMBINF-SJLPKXTDSA-N 0 3 406.486 2.428 20 0 HEADHN CC(C)N1CCN(c2ccc(C(=O)OC[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000786487346 1080630094 /nfs/dbraw/zinc/63/00/94/1080630094.db2.gz ATBZIDRXJZTLSE-GOSISDBHSA-N 0 3 423.579 2.045 20 0 HEADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000786799609 1080833448 /nfs/dbraw/zinc/83/34/48/1080833448.db2.gz GMXQSVHURAEWHR-LSDHHAIUSA-N 0 3 423.562 2.226 20 0 HEADHN C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CCN1CCc2ccccc2C1 ZINC000786814944 1080840871 /nfs/dbraw/zinc/84/08/71/1080840871.db2.gz DUIJTHDHZLVTDL-APWZRJJASA-N 0 3 401.507 2.383 20 0 HEADHN Cc1csc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1I ZINC000786852083 1080851611 /nfs/dbraw/zinc/85/16/11/1080851611.db2.gz VGQRFPWVPFPKES-MNOVXSKESA-N 0 3 406.289 2.254 20 0 HEADHN Cc1csc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1I ZINC000786852086 1080851657 /nfs/dbraw/zinc/85/16/57/1080851657.db2.gz VGQRFPWVPFPKES-WDEREUQCSA-N 0 3 406.289 2.254 20 0 HEADHN CN(C[C@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1)C(=O)OC(C)(C)C ZINC000768915394 1080854807 /nfs/dbraw/zinc/85/48/07/1080854807.db2.gz LZBUUOAIXQXOGI-GOSISDBHSA-N 0 3 418.586 2.307 20 0 HEADHN C[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786911531 1080880385 /nfs/dbraw/zinc/88/03/85/1080880385.db2.gz ALNVLUDWXMVRAI-AVRDEDQJSA-N 0 3 422.529 2.337 20 0 HEADHN CCn1cc(CN2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000769026647 1080889051 /nfs/dbraw/zinc/88/90/51/1080889051.db2.gz YXLKUVPHRBKWRJ-SFHVURJKSA-N 0 3 405.543 2.194 20 0 HEADHN CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCC(CC)(N2CCOCC2)CC1 ZINC001169998724 1080921020 /nfs/dbraw/zinc/92/10/20/1080921020.db2.gz MUFHXZQQFASHOF-GOSISDBHSA-N 0 3 402.601 2.331 20 0 HEADHN C[C@@H](CNC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)CN1CCN(C)CC1 ZINC000786978431 1080935129 /nfs/dbraw/zinc/93/51/29/1080935129.db2.gz YSHODHCNWCIOIO-KRWDZBQOSA-N 0 3 404.555 2.325 20 0 HEADHN O=C(NCc1nnc(-c2ccccc2)[nH]1)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000769121772 1080942864 /nfs/dbraw/zinc/94/28/64/1080942864.db2.gz TWWSMQPQSZNUMK-VQTJNVASSA-N 0 3 420.517 2.154 20 0 HEADHN Cc1ccc2ncc(CN3CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C3)n2c1 ZINC000769192741 1080966047 /nfs/dbraw/zinc/96/60/47/1080966047.db2.gz ZBIOYSBGEFADHE-QGZVFWFLSA-N 0 3 415.538 2.496 20 0 HEADHN CN(C)c1ncc(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)s1 ZINC000769192737 1080966566 /nfs/dbraw/zinc/96/65/66/1080966566.db2.gz YZDSGGUJQQLIBV-AWEZNQCLSA-N 0 3 411.572 2.062 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2n[nH]c3ccccc23)C1 ZINC000769192922 1080966871 /nfs/dbraw/zinc/96/68/71/1080966871.db2.gz RTAUACINRAATII-OAHLLOKOSA-N 0 3 401.511 2.416 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000769192922 1080966897 /nfs/dbraw/zinc/96/68/97/1080966897.db2.gz RTAUACINRAATII-OAHLLOKOSA-N 0 3 401.511 2.416 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CC[S@@](=O)C(CC)(CC)C3)cc2)CC1 ZINC000769219550 1081005917 /nfs/dbraw/zinc/00/59/17/1081005917.db2.gz DOYRNURORUYSJX-GDLZYMKVSA-N 0 3 420.623 2.390 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)C3(CC(C)=O)CCC3)cc2)CC1 ZINC000769245186 1081015611 /nfs/dbraw/zinc/01/56/11/1081015611.db2.gz ZWDSFTYWTGUVRO-UHFFFAOYSA-N 0 3 401.507 2.460 20 0 HEADHN CN(CC(=O)NCCCN1CCCCCC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661464 1081043603 /nfs/dbraw/zinc/04/36/03/1081043603.db2.gz JHUWMSXRDOQUTE-UHFFFAOYSA-N 0 3 424.586 2.227 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000769337732 1081047639 /nfs/dbraw/zinc/04/76/39/1081047639.db2.gz OEBFQMIMURSQDN-SWLSCSKDSA-N 0 3 407.383 2.312 20 0 HEADHN C[C@@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)N1CCC[C@H](C)C1 ZINC000769375825 1081056855 /nfs/dbraw/zinc/05/68/55/1081056855.db2.gz UHNBEUXEHKNHMQ-HOTGVXAUSA-N 0 3 411.493 2.482 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000787208965 1081062287 /nfs/dbraw/zinc/06/22/87/1081062287.db2.gz QZZXWDZRGCOANK-SJLPKXTDSA-N 0 3 410.559 2.281 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000787208960 1081062456 /nfs/dbraw/zinc/06/24/56/1081062456.db2.gz QZZXWDZRGCOANK-AEFFLSMTSA-N 0 3 410.559 2.281 20 0 HEADHN COC(=O)Nc1ccc(CCNC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC000787258652 1081075145 /nfs/dbraw/zinc/07/51/45/1081075145.db2.gz HAEBFDXPQDWEIU-INIZCTEOSA-N 0 3 404.511 2.302 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000787225095 1081078400 /nfs/dbraw/zinc/07/84/00/1081078400.db2.gz AVNMPJMRABXPKM-IAGOWNOFSA-N 0 3 410.559 2.281 20 0 HEADHN O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000787270645 1081102408 /nfs/dbraw/zinc/10/24/08/1081102408.db2.gz JXCDTBCZZNQLRQ-HOTGVXAUSA-N 0 3 421.567 2.284 20 0 HEADHN C[NH+](C)CCOc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000769549647 1081122053 /nfs/dbraw/zinc/12/20/53/1081122053.db2.gz VNBWIULOBWCGPK-UHFFFAOYSA-N 0 3 405.476 2.384 20 0 HEADHN c1ccc2c(c1)cc(N1CCCC1)nc2N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164680273 719587069 /nfs/dbraw/zinc/58/70/69/719587069.db2.gz LDRLJQRCWXGZRN-UHFFFAOYSA-N 0 3 419.533 2.279 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc(-c3ccccc3)n1)CC2 ZINC001164682857 719712995 /nfs/dbraw/zinc/71/29/95/719712995.db2.gz HIVMXFAWYDZETL-UHFFFAOYSA-N 0 3 400.914 2.373 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)ccc1C(=O)NC(C)(C)C)CC2 ZINC001164687424 719724871 /nfs/dbraw/zinc/72/48/71/719724871.db2.gz XBTBUVYJSHYSNW-UHFFFAOYSA-N 0 3 421.973 2.444 20 0 HEADHN CCN(CC)C(=O)c1cc(Cl)nc(N2CCC3(CCCN3CC(=O)NC)CC2)c1 ZINC001164684371 719726570 /nfs/dbraw/zinc/72/65/70/719726570.db2.gz GQAKGAWTRBZQDY-UHFFFAOYSA-N 0 3 421.973 2.398 20 0 HEADHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ncccc1CN1CCCC1)N1CCCC1 ZINC001164710919 720087307 /nfs/dbraw/zinc/08/73/07/720087307.db2.gz KIQOYJAJBSJADY-TUNNFDKTSA-N 0 3 414.550 2.053 20 0 HEADHN c1nc2c(nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2N2CCOCC2)s1 ZINC001164729274 720361249 /nfs/dbraw/zinc/36/12/49/720361249.db2.gz XSKBGWDBTBDDHO-SJORKVTESA-N 0 3 423.546 2.171 20 0 HEADHN COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)CC1 ZINC001164722100 720406179 /nfs/dbraw/zinc/40/61/79/720406179.db2.gz BWWPDEHTHITKEY-VQTJNVASSA-N 0 3 422.533 2.114 20 0 HEADHN COC(=O)c1ccc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164739678 720676331 /nfs/dbraw/zinc/67/63/31/720676331.db2.gz OSQNKUUMRVLWQY-QZTJIDSGSA-N 0 3 405.458 2.153 20 0 HEADHN Clc1nc2c(Cl)nccc2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737752 720754531 /nfs/dbraw/zinc/75/45/31/720754531.db2.gz CLRZBCBQAOXTGG-RYUDHWBXSA-N 0 3 418.288 2.464 20 0 HEADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2)CC1 ZINC001164746916 720760150 /nfs/dbraw/zinc/76/01/50/720760150.db2.gz YYCBGPDXBVWCTA-VQTJNVASSA-N 0 3 422.533 2.086 20 0 HEADHN COC(=O)c1cc2ccccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164739907 720771608 /nfs/dbraw/zinc/77/16/08/720771608.db2.gz JPOHETLICUOERJ-IAGOWNOFSA-N 0 3 405.458 2.153 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc21 ZINC001164751154 720789014 /nfs/dbraw/zinc/78/90/14/720789014.db2.gz XCRICPXBHHQHAW-HOTGVXAUSA-N 0 3 405.458 2.153 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3C(=O)N(C)C[C@@H](COCC4CC4)[C@@H]3CC2)c1 ZINC001164861047 721029970 /nfs/dbraw/zinc/02/99/70/721029970.db2.gz NIXOTOQEONPOGB-ACRUOGEOSA-N 0 3 400.567 2.491 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869116 721053265 /nfs/dbraw/zinc/05/32/65/721053265.db2.gz RPXDSNRMWIEYQB-SJORKVTESA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164867488 721058128 /nfs/dbraw/zinc/05/81/28/721058128.db2.gz JFGBGPINUOFEQO-RTBURBONSA-N 0 3 419.485 2.291 20 0 HEADHN CCOC(=O)c1nc2ccccc2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164763555 721083343 /nfs/dbraw/zinc/08/33/43/721083343.db2.gz FWHYOOPCMPXLBS-ZWKOTPCHSA-N 0 3 420.517 2.498 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164864984 721087752 /nfs/dbraw/zinc/08/77/52/721087752.db2.gz HWIUCXQAKNQBPP-QZTJIDSGSA-N 0 3 410.522 2.336 20 0 HEADHN CCOC(=O)c1cc2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2[nH]1 ZINC001164765574 721111109 /nfs/dbraw/zinc/11/11/09/721111109.db2.gz JIRSINMEOIGONA-ROUUACIJSA-N 0 3 408.506 2.431 20 0 HEADHN COc1cc2ncc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nc2cc1OC ZINC001164771766 721121297 /nfs/dbraw/zinc/12/12/97/721121297.db2.gz SZULIGDKZCXKSW-DLBZAZTESA-N 0 3 408.506 2.339 20 0 HEADHN CON(C)C(=O)c1cc(Cl)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164767301 721141262 /nfs/dbraw/zinc/14/12/62/721141262.db2.gz MLEOUKAJGLDGPP-NVXWUHKLSA-N 0 3 418.929 2.060 20 0 HEADHN CNC(=O)[C@@]12CN(C(C)(C)c3ccnc(Cl)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164869619 721209145 /nfs/dbraw/zinc/20/91/45/721209145.db2.gz QZUVJFBHTGZVMR-IERDGZPVSA-N 0 3 414.941 2.477 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@@H]2OCC[C@@H]21 ZINC001164878557 721305761 /nfs/dbraw/zinc/30/57/61/721305761.db2.gz LHJWSOFALQXXFT-VSKRKVRLSA-N 0 3 421.545 2.230 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)c3cccnc3)C2)nc1)C1CC1 ZINC001164786090 721382004 /nfs/dbraw/zinc/38/20/04/721382004.db2.gz SLPDFEHJCSVHFY-IEIRFRATSA-N 0 3 421.545 2.485 20 0 HEADHN CC(=O)Nc1c(C)ccnc1N1CC[C@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164889553 721429506 /nfs/dbraw/zinc/42/95/06/721429506.db2.gz BNXRVMKBLPULDP-KNQAVFIVSA-N 0 3 401.555 2.114 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccnc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164888777 721432714 /nfs/dbraw/zinc/43/27/14/721432714.db2.gz AVVWDOZLRKJZHD-NFBKMPQASA-N 0 3 414.598 2.232 20 0 HEADHN O=C([C@@H]1CCO[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]21)N1CCCO1 ZINC001164793285 721483206 /nfs/dbraw/zinc/48/32/06/721483206.db2.gz UDJPMBGARMIYSX-HSALFYBXSA-N 0 3 400.523 2.073 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CNCC3)[C@@H]2CCCO[C@@H]12 ZINC001164795698 721526294 /nfs/dbraw/zinc/52/62/94/721526294.db2.gz RSKITCGAZXEYKB-GUDVDZBRSA-N 0 3 414.941 2.039 20 0 HEADHN O=C1CCC(=O)N1Cc1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903068 721544561 /nfs/dbraw/zinc/54/45/61/721544561.db2.gz BYSJUXFENQPXRN-UYAOXDASSA-N 0 3 424.476 2.212 20 0 HEADHN O=C1CSc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2N1 ZINC001164911433 721566488 /nfs/dbraw/zinc/56/64/88/721566488.db2.gz ZEDRCEZQBHSBKS-ZFWWWQNUSA-N 0 3 401.467 2.002 20 0 HEADHN Cc1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1C(N)=O ZINC001164985157 722102087 /nfs/dbraw/zinc/10/20/87/722102087.db2.gz VCGDMYBUDGHHQU-IRXDYDNUSA-N 0 3 415.925 2.265 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164978246 722109176 /nfs/dbraw/zinc/10/91/76/722109176.db2.gz OAMRASXJOREFNI-JKSUJKDBSA-N 0 3 413.913 2.437 20 0 HEADHN O=C(NC1CC1)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164982010 722123479 /nfs/dbraw/zinc/12/34/79/722123479.db2.gz VPZMTIPEMSQMGB-TZIWHRDSSA-N 0 3 407.518 2.096 20 0 HEADHN F[C@H](Oc1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971061 722152592 /nfs/dbraw/zinc/15/25/92/722152592.db2.gz AGQTYJPGPUHWSX-BXWFABGCSA-N 0 3 407.877 2.380 20 0 HEADHN CCOC(=O)c1ccc(N2CC(N[C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331401 1078492332 /nfs/dbraw/zinc/49/23/32/1078492332.db2.gz LWIHTXJDZVEXQF-IRXDYDNUSA-N 0 3 404.511 2.482 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)N/C=C1/c2ccccc2C(=O)N(c2ccccn2)C1=O ZINC000769726849 1078538188 /nfs/dbraw/zinc/53/81/88/1078538188.db2.gz QBMPJGXDSFMKNJ-QUWSGOTNSA-N 0 3 419.529 2.225 20 0 HEADHN CCCn1c(CO)nnc1SCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000769791272 1078567300 /nfs/dbraw/zinc/56/73/00/1078567300.db2.gz GCUIZIRJYGGTQR-UHFFFAOYSA-N 0 3 418.567 2.053 20 0 HEADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000769830575 1078592284 /nfs/dbraw/zinc/59/22/84/1078592284.db2.gz RLSQDHAHPABFFI-MJGOQNOKSA-N 0 3 414.531 2.088 20 0 HEADHN C[C@H](CNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)CN1CCN(C)CC1 ZINC000745861207 1078676537 /nfs/dbraw/zinc/67/65/37/1078676537.db2.gz AMYLJNDSNKAKCJ-DYESRHJHSA-N 0 3 406.546 2.164 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)c2c(F)cccc2Cl)CC1 ZINC000745861760 1078677719 /nfs/dbraw/zinc/67/77/19/1078677719.db2.gz PDDSNMZGSMJPJQ-YOEHRIQHSA-N 0 3 400.926 2.085 20 0 HEADHN CCOC(=O)c1nnc(C2CC[NH+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)[n-]1 ZINC000770038375 1078699811 /nfs/dbraw/zinc/69/98/11/1078699811.db2.gz MLIIZCDEYJVHMW-UHFFFAOYSA-N 0 3 414.510 2.256 20 0 HEADHN CCOC(=O)c1n[n-]c(C2CC[NH+](CCC(=O)Nc3ccc(N(C)C)cc3)CC2)n1 ZINC000770038375 1078699819 /nfs/dbraw/zinc/69/98/19/1078699819.db2.gz MLIIZCDEYJVHMW-UHFFFAOYSA-N 0 3 414.510 2.256 20 0 HEADHN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000745928498 1078700188 /nfs/dbraw/zinc/70/01/88/1078700188.db2.gz ODUQUUFKDAIJPW-JOCHJYFZSA-N 0 3 420.554 2.226 20 0 HEADHN CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC000746011847 1078731257 /nfs/dbraw/zinc/73/12/57/1078731257.db2.gz PLBDTRFNVKCSJO-LJQANCHMSA-N 0 3 403.523 2.128 20 0 HEADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000746046129 1078756598 /nfs/dbraw/zinc/75/65/98/1078756598.db2.gz UVPGBFXXWCDFFQ-CQSZACIVSA-N 0 3 410.971 2.290 20 0 HEADHN COc1ccc(OC)c([C@H](O)CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746045196 1078755534 /nfs/dbraw/zinc/75/55/34/1078755534.db2.gz HUSJHIBJLODYIV-AUUYWEPGSA-N 0 3 408.520 2.338 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000770173112 1078769245 /nfs/dbraw/zinc/76/92/45/1078769245.db2.gz LFAURKYKIJHYAZ-CTNGQTDRSA-N 0 3 416.566 2.320 20 0 HEADHN COc1cc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)ccc1NC(=O)OC(C)(C)C ZINC000746131693 1078800818 /nfs/dbraw/zinc/80/08/18/1078800818.db2.gz RUWGUDPHYFKRCY-AWEZNQCLSA-N 0 3 420.510 2.391 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[C@H]3CCCC[C@H]3O)cc2)CC1 ZINC000770288548 1078809301 /nfs/dbraw/zinc/80/93/01/1078809301.db2.gz AZTZCAJKYZKZPA-WIYYLYMNSA-N 0 3 416.566 2.215 20 0 HEADHN Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1 ZINC001626110911 1078811542 /nfs/dbraw/zinc/81/15/42/1078811542.db2.gz GCKVRPAGBDLJDI-AWEZNQCLSA-N 0 3 401.941 2.390 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1c2ccccc2nc1SC(F)F ZINC000770290816 1078817114 /nfs/dbraw/zinc/81/71/14/1078817114.db2.gz BGSDFDNDAFNEFP-CQSZACIVSA-N 0 3 411.522 2.493 20 0 HEADHN Cc1nn(C)c(C)c1CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013804 1078822879 /nfs/dbraw/zinc/82/28/79/1078822879.db2.gz KFEYFEHKLVSQQM-RDJZCZTQSA-N 0 3 423.583 2.037 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220586 1078825281 /nfs/dbraw/zinc/82/52/81/1078825281.db2.gz WZDPBVAEPHUZHM-VAMGGRTRSA-N 0 3 417.550 2.215 20 0 HEADHN Cc1nn(C)c(N2CCOCC2)c1CN1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000770386247 1078849321 /nfs/dbraw/zinc/84/93/21/1078849321.db2.gz MDRWWLVXFUDBIA-WBVHZDCISA-N 0 3 407.559 2.300 20 0 HEADHN COc1ccc([C@@H](CN2CCCC2)NC(=O)CNC(=O)OCC(F)(F)F)cc1 ZINC000770443003 1078855866 /nfs/dbraw/zinc/85/58/66/1078855866.db2.gz KKLKUISTVKPHEX-OAHLLOKOSA-N 0 3 403.401 2.237 20 0 HEADHN CC(C)CN1N=C(C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCC1=O ZINC000766345888 1078875920 /nfs/dbraw/zinc/87/59/20/1078875920.db2.gz FRHDIGFROAHGFS-OAQYLSRUSA-N 0 3 413.566 2.116 20 0 HEADHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746345692 1078868081 /nfs/dbraw/zinc/86/80/81/1078868081.db2.gz UYKIQSVSVFSRFM-OAHLLOKOSA-N 0 3 409.527 2.070 20 0 HEADHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746345692 1078868083 /nfs/dbraw/zinc/86/80/83/1078868083.db2.gz UYKIQSVSVFSRFM-OAHLLOKOSA-N 0 3 409.527 2.070 20 0 HEADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000746379697 1078884609 /nfs/dbraw/zinc/88/46/09/1078884609.db2.gz QPMFWXYCDZENDM-UHFFFAOYSA-N 0 3 403.914 2.475 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)CC1 ZINC000766345743 1078875980 /nfs/dbraw/zinc/87/59/80/1078875980.db2.gz WCTMUTRXZQXFEA-HLRDLLSLSA-N 0 3 411.424 2.363 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000770588615 1078899253 /nfs/dbraw/zinc/89/92/53/1078899253.db2.gz BWNWOQJZKFKLSH-DYVFJYSZSA-N 0 3 403.354 2.352 20 0 HEADHN COCCN1CCC(NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766362809 1078924922 /nfs/dbraw/zinc/92/49/22/1078924922.db2.gz PSKGAFOXDRGUOG-LJQANCHMSA-N 0 3 403.523 2.262 20 0 HEADHN CN(C)CCn1cc(NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)ccc1=O ZINC000770676135 1078929427 /nfs/dbraw/zinc/92/94/27/1078929427.db2.gz SMZSHYZYRMXRKS-SFHVURJKSA-N 0 3 412.490 2.007 20 0 HEADHN COC(=O)C1(C)CCC(N2CC[C@H]3OCC[C@@]3(C(=O)NCc3ccccn3)C2)CC1 ZINC001168782590 1078939786 /nfs/dbraw/zinc/93/97/86/1078939786.db2.gz RLCWJHXWCOCARQ-PVHVISOTSA-N 0 3 415.534 2.301 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770721304 1078948566 /nfs/dbraw/zinc/94/85/66/1078948566.db2.gz JAVNQGZUMSDMEH-FQEVSTJZSA-N 0 3 416.566 2.177 20 0 HEADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000770730310 1078955547 /nfs/dbraw/zinc/95/55/47/1078955547.db2.gz HKBPWEOUMRPZDG-UHFFFAOYSA-N 0 3 403.914 2.480 20 0 HEADHN CN(C)C1(C(=O)N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)CCC1 ZINC000766457420 1079010834 /nfs/dbraw/zinc/01/08/34/1079010834.db2.gz JIIOVTWRDVDYEN-UHFFFAOYSA-N 0 3 423.355 2.016 20 0 HEADHN CN(C)C(=O)c1ccc(CNCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)[nH]1 ZINC000766488205 1079026639 /nfs/dbraw/zinc/02/66/39/1079026639.db2.gz JYIMPOQMFRTQDX-UHFFFAOYSA-N 0 3 419.425 2.179 20 0 HEADHN C[C@H]1C[C@@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849808 1079061004 /nfs/dbraw/zinc/06/10/04/1079061004.db2.gz LKGHDBTWARBKAO-LSDHHAIUSA-N 0 3 403.527 2.335 20 0 HEADHN CC(C)(NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)NCC1CCCCC1 ZINC001168874080 1079065413 /nfs/dbraw/zinc/06/54/13/1079065413.db2.gz RTBOWBULVAFLGE-SFHVURJKSA-N 0 3 417.550 2.376 20 0 HEADHN CCOC(=O)C1(N[C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)CCN(CC)CC1 ZINC001168910133 1079073149 /nfs/dbraw/zinc/07/31/49/1079073149.db2.gz RGIMJQWFLGYGQM-LJQANCHMSA-N 0 3 417.550 2.193 20 0 HEADHN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN[C@@H](CO)c2cnn(C)c2)cc1 ZINC001169043061 1079109191 /nfs/dbraw/zinc/10/91/91/1079109191.db2.gz CTBZSNJATSXFMY-APWZRJJASA-N 0 3 404.511 2.360 20 0 HEADHN CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@@H](c2cnn(C)c2)C1 ZINC001169084516 1079133569 /nfs/dbraw/zinc/13/35/69/1079133569.db2.gz NGWQNICYDBSCHM-RBUKOAKNSA-N 0 3 412.538 2.314 20 0 HEADHN CC(C)[N@H+]1CC[C@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@@H](c2cnn(C)c2)C1 ZINC001169084516 1079133573 /nfs/dbraw/zinc/13/35/73/1079133573.db2.gz NGWQNICYDBSCHM-RBUKOAKNSA-N 0 3 412.538 2.314 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150786 1079167436 /nfs/dbraw/zinc/16/74/36/1079167436.db2.gz WDXXRYLQUIXTTA-YYDVJCTNSA-N 0 3 417.550 2.446 20 0 HEADHN Cc1csc([C@@H](C)N[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170330 1079185401 /nfs/dbraw/zinc/18/54/01/1079185401.db2.gz UXWMFOHQGVYNGX-GXTWGEPZSA-N 0 3 404.540 2.108 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCC[C@@H]1c1nccs1 ZINC001169207657 1079195748 /nfs/dbraw/zinc/19/57/48/1079195748.db2.gz LEXKFUQPSHDLPC-LSDHHAIUSA-N 0 3 416.551 2.286 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)CNC(=O)c1ccc(Br)o1 ZINC000771213685 1079230331 /nfs/dbraw/zinc/23/03/31/1079230331.db2.gz DWWOPVVMGHKBTJ-UHFFFAOYSA-N 0 3 422.323 2.405 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)CO1 ZINC001169375128 1079245853 /nfs/dbraw/zinc/24/58/53/1079245853.db2.gz UMNUWLCNACGHHG-BRSBDYLESA-N 0 3 412.527 2.055 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CO1 ZINC001169383845 1079255114 /nfs/dbraw/zinc/25/51/14/1079255114.db2.gz CBEMNUASRRUONU-BPBCIEFSSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)CO1 ZINC001169390481 1079260348 /nfs/dbraw/zinc/26/03/48/1079260348.db2.gz VQHVVPIQEJVUJS-PSHVLCQKSA-N 0 3 404.507 2.442 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)N[C@]3(CC(=O)OC)CCCOC3)c2)CC1 ZINC000771274604 1079262348 /nfs/dbraw/zinc/26/23/48/1079262348.db2.gz VHPOIYXEQGCVBU-NRFANRHFSA-N 0 3 404.511 2.062 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)CO1 ZINC001169397947 1079270327 /nfs/dbraw/zinc/27/03/27/1079270327.db2.gz OPQATSVFLDEUCV-AQNXPRMDSA-N 0 3 400.519 2.435 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169398946 1079272626 /nfs/dbraw/zinc/27/26/26/1079272626.db2.gz UBLCGOOKGUXZTD-NEYJZJCJSA-N 0 3 422.547 2.212 20 0 HEADHN CNC(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H]2[C@H](c3ccccc3)C2(F)F)CC1 ZINC001109841218 1079269316 /nfs/dbraw/zinc/26/93/16/1079269316.db2.gz NFUMESXSYJQFAE-FPSMNIFISA-N 0 3 403.473 2.283 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N(CCOC)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001169415940 1079275892 /nfs/dbraw/zinc/27/58/92/1079275892.db2.gz FVROOROMYRPTOB-ULQDDVLXSA-N 0 3 400.516 2.055 20 0 HEADHN NC(=NOCc1nncn1-c1ccccc1)c1ccccc1CN1CCC(O)CC1 ZINC000766712662 1079300470 /nfs/dbraw/zinc/30/04/70/1079300470.db2.gz VHHUSTOKXRWBNH-UHFFFAOYSA-N 0 3 406.490 2.271 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)C(=O)C1 ZINC001169475563 1079313421 /nfs/dbraw/zinc/31/34/21/1079313421.db2.gz ZUNNKIVSBCDKEI-RDGPPVDQSA-N 0 3 407.555 2.488 20 0 HEADHN CC(=O)N1CC[C@@H](N([C@H](c2ccccc2)[C@H](N)c2ccccc2)S(C)(=O)=O)C1 ZINC001169525331 1079323426 /nfs/dbraw/zinc/32/34/26/1079323426.db2.gz BNPPSFBLXKXTJV-NJDAHSKKSA-N 0 3 401.532 2.310 20 0 HEADHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1F ZINC001169528363 1079323991 /nfs/dbraw/zinc/32/39/91/1079323991.db2.gz VHGBKEVHPWQDEU-LPHOPBHVSA-N 0 3 419.522 2.131 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001169528361 1079324205 /nfs/dbraw/zinc/32/42/05/1079324205.db2.gz VGDLWXHWBBXKPN-UZLBHIALSA-N 0 3 401.532 2.116 20 0 HEADHN CC(C)(C)OC(=O)N1CCC([C@@H](O)CN[C@@]2(CO)CCOc3ccccc32)CC1 ZINC001169699204 1079379393 /nfs/dbraw/zinc/37/93/93/1079379393.db2.gz XMCCMBHETSODFR-PGRDOPGGSA-N 0 3 406.523 2.254 20 0 HEADHN CC(C)(C)OC(=O)N1CCC([C@H](O)CN[C@@]2(CO)CCOc3ccccc32)CC1 ZINC001169699206 1079379552 /nfs/dbraw/zinc/37/95/52/1079379552.db2.gz XMCCMBHETSODFR-XMSQKQJNSA-N 0 3 406.523 2.254 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000771583975 1079381111 /nfs/dbraw/zinc/38/11/11/1079381111.db2.gz XRKJYDHWQDBYSA-SLOMDMAXSA-N 0 3 409.486 2.420 20 0 HEADHN O=C(/C=C\c1ccc(I)o1)NC1CCN([C@H]2CCOC2)CC1 ZINC000771583644 1079381170 /nfs/dbraw/zinc/38/11/70/1079381170.db2.gz ZRAHCYIOQPFBBS-LSYFEZSPSA-N 0 3 416.259 2.267 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 ZINC000771663601 1079433582 /nfs/dbraw/zinc/43/35/82/1079433582.db2.gz QLGPMIHIYPFAIY-UHFFFAOYSA-N 0 3 408.543 2.450 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)COCCNC(=O)OC(C)(C)C)c2)CC1 ZINC000771635799 1079443540 /nfs/dbraw/zinc/44/35/40/1079443540.db2.gz HCIOLCPTPWWHBA-UHFFFAOYSA-N 0 3 406.527 2.308 20 0 HEADHN CCOC(=O)[C@H]1CCCN(C2CCN(C3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC001169884111 1079457656 /nfs/dbraw/zinc/45/76/56/1079457656.db2.gz XFYOZUAWMCFXMX-MUYFXNHWSA-N 0 3 400.585 2.082 20 0 HEADHN COCCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCC(S(C)(=O)=O)CC1 ZINC001169897244 1079468341 /nfs/dbraw/zinc/46/83/41/1079468341.db2.gz MXLGEFFTGCNJEF-CGZBRXJRSA-N 0 3 404.573 2.300 20 0 HEADHN Cc1ccc(-c2nc(=S)n(CN3CCN(C(=O)CN4CCCC4)CC3)[nH]2)cc1 ZINC000738157319 1075970372 /nfs/dbraw/zinc/97/03/72/1075970372.db2.gz VQVJJDQKMIBEHX-UHFFFAOYSA-N 0 3 400.552 2.114 20 0 HEADHN Cc1ccc(/C=C/c2nc(=S)n(CN3CCN(C(=O)CN4CCCC4)CC3)[nH]2)o1 ZINC000738161227 1075970823 /nfs/dbraw/zinc/97/08/23/1075970823.db2.gz OYNRHNQOYMZAKU-VOTSOKGWSA-N 0 3 416.551 2.210 20 0 HEADHN CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCCN(C[C@H]2CCCO2)CC1 ZINC000738316795 1075988380 /nfs/dbraw/zinc/98/83/80/1075988380.db2.gz GRWYLBUJOPMBRQ-LJQANCHMSA-N 0 3 416.566 2.198 20 0 HEADHN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738317110 1075988515 /nfs/dbraw/zinc/98/85/15/1075988515.db2.gz ILXKHICMMDQWDU-KNQAVFIVSA-N 0 3 416.566 2.037 20 0 HEADHN CC(C)(C)OC(=O)N1CCN(CCNC(=O)N2CCN(C3CCCCC3)CC2)CC1 ZINC000766913505 1079503648 /nfs/dbraw/zinc/50/36/48/1079503648.db2.gz YBBVRMMNNRNEQT-UHFFFAOYSA-N 0 3 423.602 2.199 20 0 HEADHN COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=S)NC1CCN(C)CC1 ZINC000739437135 1076062143 /nfs/dbraw/zinc/06/21/43/1076062143.db2.gz JMPLLDKQFFSQGM-UHFFFAOYSA-N 0 3 414.597 2.153 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739696516 1076072977 /nfs/dbraw/zinc/07/29/77/1076072977.db2.gz JARGOQKHBUHZMD-IAGOWNOFSA-N 0 3 411.543 2.071 20 0 HEADHN CS(=O)(=O)c1ccc(Br)c(C(=O)N2CC[C@H](CN3CCCC3)C2)c1 ZINC000739788594 1076075195 /nfs/dbraw/zinc/07/51/95/1076075195.db2.gz QGZJLXNQSQTQKK-CYBMUJFWSA-N 0 3 415.353 2.411 20 0 HEADHN Cc1c(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000740458915 1076181860 /nfs/dbraw/zinc/18/18/60/1076181860.db2.gz RKCVIEFLOOEUOT-CVEARBPZSA-N 0 3 424.567 2.057 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC000740804118 1076244005 /nfs/dbraw/zinc/24/40/05/1076244005.db2.gz ZDCGQLUDHLKMFU-AVRDEDQJSA-N 0 3 419.529 2.230 20 0 HEADHN CCN1CC[C@@H](N(C)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C[C@H]1C ZINC000740893698 1076293290 /nfs/dbraw/zinc/29/32/90/1076293290.db2.gz BAONENQNNSWIRA-SJLPKXTDSA-N 0 3 409.552 2.142 20 0 HEADHN COc1cc(CN[C@H](CCO)c2cccs2)ccc1OCC(=O)N1CCOCC1 ZINC000740900442 1076296335 /nfs/dbraw/zinc/29/63/35/1076296335.db2.gz PONCVCCCFIABHJ-QGZVFWFLSA-N 0 3 420.531 2.208 20 0 HEADHN CCc1c(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209274 1076404300 /nfs/dbraw/zinc/40/43/00/1076404300.db2.gz IXNVZICJOBXREX-IEBWSBKVSA-N 0 3 413.522 2.210 20 0 HEADHN CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000741332040 1076478964 /nfs/dbraw/zinc/47/89/64/1076478964.db2.gz YSXDHTFMENDVGI-FQEVSTJZSA-N 0 3 416.518 2.244 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc(N2CCOC2=O)cc1 ZINC000741391947 1076519034 /nfs/dbraw/zinc/51/90/34/1076519034.db2.gz JDVMGNDTSCZGGC-JOCHJYFZSA-N 0 3 410.474 2.402 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NC[C@@H](O)c1c(F)cccc1Cl ZINC000741432361 1076525485 /nfs/dbraw/zinc/52/54/85/1076525485.db2.gz SCXQYEVQXFTPHB-MRXNPFEDSA-N 0 3 423.872 2.338 20 0 HEADHN CCN1CCN(C(=O)CC2CCN([C@@H]3CCN(c4ccc(C)cc4)C3=O)CC2)CC1 ZINC000741784680 1076626920 /nfs/dbraw/zinc/62/69/20/1076626920.db2.gz LLDHQOQPUDYGSV-JOCHJYFZSA-N 0 3 412.578 2.367 20 0 HEADHN C[C@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742163410 1076760662 /nfs/dbraw/zinc/76/06/62/1076760662.db2.gz RXNPCBVABYWGLZ-QFBILLFUSA-N 0 3 408.424 2.376 20 0 HEADHN O=CNc1ccc(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000742247907 1076805783 /nfs/dbraw/zinc/80/57/83/1076805783.db2.gz GCEWEOOMZYEVFH-LJQANCHMSA-N 0 3 407.518 2.324 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NCCN(C)C(=O)OC(C)(C)C)CC2)c1 ZINC000742249876 1076806172 /nfs/dbraw/zinc/80/61/72/1076806172.db2.gz AAXSORVRXBABDB-UHFFFAOYSA-N 0 3 404.555 2.490 20 0 HEADHN COc1c(F)cc(Br)cc1S(=O)(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000742275308 1076808250 /nfs/dbraw/zinc/80/82/50/1076808250.db2.gz NLDPYDUERMCXRS-JTQLQIEISA-N 0 3 407.305 2.359 20 0 HEADHN CCN(CC)CCNS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742266287 1076811401 /nfs/dbraw/zinc/81/14/01/1076811401.db2.gz QWJZYGXVJOBMBO-IBGZPJMESA-N 0 3 411.568 2.296 20 0 HEADHN CCOC(=O)N1CCC(S(=O)(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000742284392 1076815982 /nfs/dbraw/zinc/81/59/82/1076815982.db2.gz WXSOACVTZDFIKV-IBGZPJMESA-N 0 3 423.579 2.439 20 0 HEADHN CCN1CCC[C@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742286261 1076816711 /nfs/dbraw/zinc/81/67/11/1076816711.db2.gz HZFVGXGGGUTOSW-UXHICEINSA-N 0 3 423.579 2.439 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)CNC(=O)OCc3ccccc3)cc2)CC1 ZINC000742310604 1076826985 /nfs/dbraw/zinc/82/69/85/1076826985.db2.gz YULHMXWXWXSUCU-UHFFFAOYSA-N 0 3 424.545 2.367 20 0 HEADHN Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)N(C)C)cc1 ZINC000742396951 1076834120 /nfs/dbraw/zinc/83/41/20/1076834120.db2.gz JEAIFHBDWMKRFC-HYBUGGRVSA-N 0 3 422.529 2.490 20 0 HEADHN CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)cc1 ZINC000742398670 1076834405 /nfs/dbraw/zinc/83/44/05/1076834405.db2.gz ZWYSWBOKQDYMOQ-IBGZPJMESA-N 0 3 405.520 2.210 20 0 HEADHN C[C@H](CNC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000742671765 1076863475 /nfs/dbraw/zinc/86/34/75/1076863475.db2.gz YFNWIQUSBSNWIZ-UYAOXDASSA-N 0 3 418.582 2.295 20 0 HEADHN CCN(C)C[C@H]1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 ZINC000742915329 1076897048 /nfs/dbraw/zinc/89/70/48/1076897048.db2.gz IQEDZJZEOCQDIE-GFCCVEGCSA-N 0 3 403.342 2.266 20 0 HEADHN C[C@@H]1NC(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000742963722 1076908854 /nfs/dbraw/zinc/90/88/54/1076908854.db2.gz VMWMDOODJMTZMR-MOPGFXCFSA-N 0 3 419.529 2.448 20 0 HEADHN C[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 ZINC000742961887 1076909262 /nfs/dbraw/zinc/90/92/62/1076909262.db2.gz YNDLPIWHFUZOJA-XMSQKQJNSA-N 0 3 419.529 2.230 20 0 HEADHN C[C@@H]1CN(C(=S)NC2CCN(C)CC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000743017292 1076929146 /nfs/dbraw/zinc/92/91/46/1076929146.db2.gz IKIFCZIFESQXTL-OAHLLOKOSA-N 0 3 408.999 2.384 20 0 HEADHN CC(C)[C@@H](CNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)N1CCN(C)CC1 ZINC000743171376 1076987778 /nfs/dbraw/zinc/98/77/78/1076987778.db2.gz QPQANZJQOWBTIE-WIYYLYMNSA-N 0 3 403.571 2.305 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 ZINC000743174862 1076989665 /nfs/dbraw/zinc/98/96/65/1076989665.db2.gz VMRKQDMJDDMWIK-RTBURBONSA-N 0 3 403.571 2.307 20 0 HEADHN CC(C)CN1CCO[C@H](CNc2nccc(NC[C@H]3CN(CC(C)C)CCO3)n2)C1 ZINC000743300809 1077022028 /nfs/dbraw/zinc/02/20/28/1077022028.db2.gz YFBLVBXTJJIRAY-VQTJNVASSA-N 0 3 420.602 2.014 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NCCC3N=NC(=S)N3C3CC3)cc2)CC1 ZINC000743345215 1077027305 /nfs/dbraw/zinc/02/73/05/1077027305.db2.gz SSSVAGPMLAROTD-UHFFFAOYSA-N 0 3 400.552 2.016 20 0 HEADHN CCOC(=O)/C=C/c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000743414600 1077049918 /nfs/dbraw/zinc/04/99/18/1077049918.db2.gz SBSPZNLWPYNGDU-PYUISTEWSA-N 0 3 401.507 2.438 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000743622444 1077076483 /nfs/dbraw/zinc/07/64/83/1077076483.db2.gz GWMDAXGZNDHTED-RCCFBDPRSA-N 0 3 412.575 2.480 20 0 HEADHN C[C@H](CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)Oc1ccc(Br)cc1 ZINC000743593458 1077077587 /nfs/dbraw/zinc/07/75/87/1077077587.db2.gz DDHHEBITGPLMTL-KMFMINBZSA-N 0 3 412.328 2.379 20 0 HEADHN C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)Oc1cccc(Br)c1 ZINC000743594668 1077077881 /nfs/dbraw/zinc/07/78/81/1077077881.db2.gz VVNBQEWBRLXQGK-UKPHBRMFSA-N 0 3 412.328 2.379 20 0 HEADHN CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000743594015 1077078052 /nfs/dbraw/zinc/07/80/52/1077078052.db2.gz LFSGBEINTIDSNL-VQTJNVASSA-N 0 3 401.555 2.193 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cccc1N1CCOC1=O ZINC000743882559 1077168426 /nfs/dbraw/zinc/16/84/26/1077168426.db2.gz ATGXITGFTBMBKI-HUUCEWRRSA-N 0 3 402.495 2.127 20 0 HEADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cccc(N2CCOC2=O)c1C ZINC000743912803 1077191057 /nfs/dbraw/zinc/19/10/57/1077191057.db2.gz WQHULJKLDDOSBP-MRXNPFEDSA-N 0 3 402.495 2.271 20 0 HEADHN Cc1c(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cccc1N1CCOC1=O ZINC000743916727 1077195249 /nfs/dbraw/zinc/19/52/49/1077195249.db2.gz DOYLJPDHEONJPS-UHFFFAOYSA-N 0 3 414.506 2.367 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)cccc1N1CCOC1=O ZINC000743898675 1077210169 /nfs/dbraw/zinc/21/01/69/1077210169.db2.gz HTAHETFIJGQLRK-HNNXBMFYSA-N 0 3 402.495 2.127 20 0 HEADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 ZINC000743934205 1077260072 /nfs/dbraw/zinc/26/00/72/1077260072.db2.gz NCNZEBNKLSOPGN-UHFFFAOYSA-N 0 3 410.946 2.353 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCSCC2)c(Cl)c1 ZINC000743977835 1077291216 /nfs/dbraw/zinc/29/12/16/1077291216.db2.gz ACEMLTMRSPXRHR-AWEZNQCLSA-N 0 3 410.971 2.432 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000743977972 1077291967 /nfs/dbraw/zinc/29/19/67/1077291967.db2.gz BTHLFFGPNGNYNU-KRWDZBQOSA-N 0 3 424.501 2.243 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000743979212 1077292843 /nfs/dbraw/zinc/29/28/43/1077292843.db2.gz DYDRNFZDMLZGAV-QGZVFWFLSA-N 0 3 420.513 2.429 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCc3sccc3C2)nc1 ZINC000743980152 1077293727 /nfs/dbraw/zinc/29/37/27/1077293727.db2.gz WIRIIRDCWAIHRI-HNNXBMFYSA-N 0 3 413.547 2.245 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000743981824 1077295000 /nfs/dbraw/zinc/29/50/00/1077295000.db2.gz SLSFECDCAZVNFW-CQSZACIVSA-N 0 3 413.478 2.065 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000743983183 1077295640 /nfs/dbraw/zinc/29/56/40/1077295640.db2.gz UFYYNNUPAREWGS-INIZCTEOSA-N 0 3 400.523 2.288 20 0 HEADHN C[C@@H]1NC(C(=O)N(CCN(C)C)Cc2ccc(F)cc2)=NN(c2ccccc2)C1=O ZINC000744098476 1077322507 /nfs/dbraw/zinc/32/25/07/1077322507.db2.gz NPKFYPBISAWUJO-INIZCTEOSA-N 0 3 411.481 2.054 20 0 HEADHN C[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000744429194 1077390741 /nfs/dbraw/zinc/39/07/41/1077390741.db2.gz RVIGJTFUROKRJZ-PDQLOIDKSA-N 0 3 405.564 2.252 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763657 1079518822 /nfs/dbraw/zinc/51/88/22/1079518822.db2.gz XCOBPWJXLWHTCD-PMACEKPBSA-N 0 3 409.534 2.151 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCC[C@@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763660 1079519092 /nfs/dbraw/zinc/51/90/92/1079519092.db2.gz XCOBPWJXLWHTCD-WOJBJXKFSA-N 0 3 409.534 2.151 20 0 HEADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(C)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000771918805 1079571790 /nfs/dbraw/zinc/57/17/90/1079571790.db2.gz IYFFRYFMZKTEDO-ZWKOTPCHSA-N 0 3 411.591 2.053 20 0 HEADHN C[C@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000766983163 1079578601 /nfs/dbraw/zinc/57/86/01/1079578601.db2.gz VGMLIOPPVPVHIU-CJNGLKHVSA-N 0 3 401.532 2.419 20 0 HEADHN C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000766983164 1079578642 /nfs/dbraw/zinc/57/86/42/1079578642.db2.gz VGMLIOPPVPVHIU-CZUORRHYSA-N 0 3 401.532 2.419 20 0 HEADHN C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nc2ccccc2s1 ZINC000767018624 1079591165 /nfs/dbraw/zinc/59/11/65/1079591165.db2.gz NMRVJIGVWKCRSL-GDBMZVCRSA-N 0 3 401.536 2.305 20 0 HEADHN O=C(CCN1CCC([C@@H](O)C(F)(F)F)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000767019611 1079592167 /nfs/dbraw/zinc/59/21/67/1079592167.db2.gz HRNMXQKANBFLEC-LJQANCHMSA-N 0 3 415.456 2.487 20 0 HEADHN CN1CC[C@@H](NC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)[C@@H]1c1ccccc1 ZINC000772028839 1079686208 /nfs/dbraw/zinc/68/62/08/1079686208.db2.gz DYMNCIWCGSTRNH-CTNGQTDRSA-N 0 3 423.517 2.179 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000767164077 1079701839 /nfs/dbraw/zinc/70/18/39/1079701839.db2.gz OWHAMLSBSAOVQH-MSOLQXFVSA-N 0 3 408.568 2.044 20 0 HEADHN NC(=O)COc1ccc(CN[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)cc1 ZINC000767192604 1079729288 /nfs/dbraw/zinc/72/92/88/1079729288.db2.gz RCMIUFXTOLGZAB-MRXNPFEDSA-N 0 3 421.419 2.460 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000772229150 1079751295 /nfs/dbraw/zinc/75/12/95/1079751295.db2.gz XSXCQFURJQVMAR-LEWJYISDSA-N 0 3 421.497 2.206 20 0 HEADHN COC(=O)/C=C\c1ccc(OCCN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 ZINC000767297168 1079798543 /nfs/dbraw/zinc/79/85/43/1079798543.db2.gz SSKODBGPSLBBIU-IBWPDUFMSA-N 0 3 410.536 2.045 20 0 HEADHN COc1cccc(CN2CCC(NC(=O)c3cc(C)ccc3S(N)(=O)=O)CC2)c1 ZINC000767302867 1079801263 /nfs/dbraw/zinc/80/12/63/1079801263.db2.gz IRPXENJYJDIRHC-UHFFFAOYSA-N 0 3 417.531 2.045 20 0 HEADHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000772353932 1079813400 /nfs/dbraw/zinc/81/34/00/1079813400.db2.gz FVHCQRAVSPZHSP-RLLQIKCJSA-N 0 3 409.534 2.318 20 0 HEADHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000772353933 1079813454 /nfs/dbraw/zinc/81/34/54/1079813454.db2.gz FVHCQRAVSPZHSP-YZGWKJHDSA-N 0 3 409.534 2.318 20 0 HEADHN O=S1(=O)CCC(O)(CN(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)CC1 ZINC000767460085 1079884180 /nfs/dbraw/zinc/88/41/80/1079884180.db2.gz MEXABOPKYVWVCL-HSZRJFAPSA-N 0 3 415.555 2.262 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C2CC2)C1 ZINC000772602114 1080003069 /nfs/dbraw/zinc/00/30/69/1080003069.db2.gz SUPIZIYUYIMDGX-BZSNNMDCSA-N 0 3 408.543 2.033 20 0 HEADHN CC(C)[C@H](NC(=O)C(=O)NC[C@@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000785504396 1080025230 /nfs/dbraw/zinc/02/52/30/1080025230.db2.gz HRAVSDHBVBLZKA-UZLBHIALSA-N 0 3 403.523 2.262 20 0 HEADHN CS(=O)(=O)Nc1ccc(N2CCN(CCC(=O)Nc3ccccc3)CC2)cc1 ZINC000767743435 1080061140 /nfs/dbraw/zinc/06/11/40/1080061140.db2.gz DJKKDJLRPIDAPZ-UHFFFAOYSA-N 0 3 402.520 2.209 20 0 HEADHN CCOc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)cc1 ZINC000785641175 1080088258 /nfs/dbraw/zinc/08/82/58/1080088258.db2.gz HZXPKKQGAVMXJF-QZTJIDSGSA-N 0 3 402.491 2.144 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000767781264 1080089269 /nfs/dbraw/zinc/08/92/69/1080089269.db2.gz WAMDVGGRYUTDRA-NRFANRHFSA-N 0 3 400.498 2.106 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(F)c(C)cc2F)CC1=O ZINC000785651201 1080099383 /nfs/dbraw/zinc/09/93/83/1080099383.db2.gz DKWTYAYIVVSUCZ-GJZGRUSLSA-N 0 3 408.445 2.332 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(F)c(C)cc2F)CC1=O ZINC000785651199 1080099727 /nfs/dbraw/zinc/09/97/27/1080099727.db2.gz DKWTYAYIVVSUCZ-CABCVRRESA-N 0 3 408.445 2.332 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)N1CCN(Cc2ccco2)CC1 ZINC000785710526 1080219872 /nfs/dbraw/zinc/21/98/72/1080219872.db2.gz XHGJTMVKYCOZOF-UHFFFAOYSA-N 0 3 411.502 2.377 20 0 HEADHN O=C(NCCN1CCCCCC1)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767984735 1080247971 /nfs/dbraw/zinc/24/79/71/1080247971.db2.gz XWJQOLQBQMEULU-UHFFFAOYSA-N 0 3 403.708 2.428 20 0 HEADHN Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)ccc12 ZINC000785813115 1080254899 /nfs/dbraw/zinc/25/48/99/1080254899.db2.gz JCVPNUPIKPBHBF-INIZCTEOSA-N 0 3 400.475 2.192 20 0 HEADHN CN1CCN(CCCNC(=O)[C@]2(O)CCc3ccccc3C2)[C@H](c2ccccc2)C1 ZINC000785842879 1080277170 /nfs/dbraw/zinc/27/71/70/1080277170.db2.gz QGSKHLBYEJEVTF-ZCYQVOJMSA-N 0 3 407.558 2.401 20 0 HEADHN CC(C)O[C@@H]1CCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170052423 1080295482 /nfs/dbraw/zinc/29/54/82/1080295482.db2.gz SJRLLZZRXXMSIA-ZACQAIPSSA-N 0 3 413.584 2.397 20 0 HEADHN O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000768144320 1080352111 /nfs/dbraw/zinc/35/21/11/1080352111.db2.gz AMAWYNGLSRQTCV-JTQLQIEISA-N 0 3 401.692 2.037 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCC([C@H]4CCCO4)CC3)cc2)CC1 ZINC000786005326 1080368293 /nfs/dbraw/zinc/36/82/93/1080368293.db2.gz WZJCJEVFXQJYLK-OAQYLSRUSA-N 0 3 414.550 2.185 20 0 HEADHN NS(=O)(=O)c1ccc(NC(=O)C2CCN(Cc3ccc4c(c3)COC4)CC2)cc1 ZINC000768211496 1080415340 /nfs/dbraw/zinc/41/53/40/1080415340.db2.gz ZYACKXZAWZCBSA-UHFFFAOYSA-N 0 3 415.515 2.215 20 0 HEADHN C[C@@H]1[C@H](C(=O)Nc2cnccc2N2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000786164866 1080434824 /nfs/dbraw/zinc/43/48/24/1080434824.db2.gz BIZMKGPBYDATCX-HZPDHXFCSA-N 0 3 403.527 2.417 20 0 HEADHN CC(C)(C)OC(=O)NCc1cc(C(=O)NC2CCN([C@H]3CCOC3)CC2)ccn1 ZINC000768252535 1080442117 /nfs/dbraw/zinc/44/21/17/1080442117.db2.gz AMIPSKXOMPDASD-SFHVURJKSA-N 0 3 404.511 2.089 20 0 HEADHN C[C@@H]1[C@@H](C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C ZINC000786172810 1080478299 /nfs/dbraw/zinc/47/82/99/1080478299.db2.gz CSQRHEOCWFWPOB-CVEARBPZSA-N 0 3 413.559 2.364 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(OCC(F)(F)F)cc1)N1CCCCC1 ZINC000786306883 1080547531 /nfs/dbraw/zinc/54/75/31/1080547531.db2.gz DXLXDRIBTJTJKF-AWEZNQCLSA-N 0 3 401.429 2.235 20 0 HEADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(CCO)CCNC(=O)OC(C)(C)C ZINC000768428883 1080550457 /nfs/dbraw/zinc/55/04/57/1080550457.db2.gz KYLXSYYFJLTKTL-HKUYNNGSSA-N 0 3 420.554 2.036 20 0 HEADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394906 1080584875 /nfs/dbraw/zinc/58/48/75/1080584875.db2.gz YDHIVJKGSQQCDD-QGZVFWFLSA-N 0 3 424.586 2.321 20 0 HEADHN CN(C)Cc1cccc(NC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)c1 ZINC000768499409 1080594775 /nfs/dbraw/zinc/59/47/75/1080594775.db2.gz ZPLUKWCRKMQDJD-SFHVURJKSA-N 0 3 405.543 2.421 20 0 HEADHN CCc1ccc([C@@]2(CC)NC(=O)N(CN3CCN(C4CCOCC4)CC3)C2=O)cc1 ZINC000768492442 1080604802 /nfs/dbraw/zinc/60/48/02/1080604802.db2.gz GYRSFNFWCVCPDM-HSZRJFAPSA-N 0 3 414.550 2.160 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)OC)cc2)CC1 ZINC000786444233 1080605484 /nfs/dbraw/zinc/60/54/84/1080605484.db2.gz KWSAYRQLMMZQGW-XJABCFGWSA-N 0 3 414.550 2.041 20 0 HEADHN CC(C)[C@H](CNC(=O)C(=O)NCC[S@](=O)Cc1ccccc1)N1CCCCCC1 ZINC000786629157 1080723987 /nfs/dbraw/zinc/72/39/87/1080723987.db2.gz RILMBLCUFDEWHU-WRONEBCDSA-N 0 3 421.607 2.068 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1)N1CCCCC1 ZINC000768715712 1080731830 /nfs/dbraw/zinc/73/18/30/1080731830.db2.gz HBCSDHGGUDUXKK-CYBMUJFWSA-N 0 3 424.427 2.215 20 0 HEADHN C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCS(=O)(=O)c1ccccc1 ZINC000768689053 1080748288 /nfs/dbraw/zinc/74/82/88/1080748288.db2.gz PIUFFABBLGFPMZ-IAGOWNOFSA-N 0 3 412.552 2.464 20 0 HEADHN COC(=O)c1sccc1NC(=O)COC(=O)CCN1CCc2ccccc2C1 ZINC000786830752 1080828255 /nfs/dbraw/zinc/82/82/55/1080828255.db2.gz XRAYBWUOCGOTHC-UHFFFAOYSA-N 0 3 402.472 2.465 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)CC1 ZINC001169997526 1080841446 /nfs/dbraw/zinc/84/14/46/1080841446.db2.gz AVOCKJAGVYNNPJ-CVEARBPZSA-N 0 3 408.461 2.074 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)CCN2CCc3ccccc3C2)C1 ZINC000786824175 1080846343 /nfs/dbraw/zinc/84/63/43/1080846343.db2.gz DWTYIAOCFAXIAN-YLJYHZDGSA-N 0 3 416.518 2.168 20 0 HEADHN C[C@@H](NCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786855093 1080853203 /nfs/dbraw/zinc/85/32/03/1080853203.db2.gz XVYBYGTVZXQJLO-LJQANCHMSA-N 0 3 421.545 2.211 20 0 HEADHN COCCNC(=O)[C@H](Cc1ccccc1)N[C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786889745 1080870883 /nfs/dbraw/zinc/87/08/83/1080870883.db2.gz PJUXBKUDIACCDF-UTKZUKDTSA-N 0 3 410.518 2.241 20 0 HEADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000768953527 1080881441 /nfs/dbraw/zinc/88/14/41/1080881441.db2.gz WBAWDSVGKWDIPD-VQTJNVASSA-N 0 3 405.539 2.364 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC001169998387 1080892945 /nfs/dbraw/zinc/89/29/45/1080892945.db2.gz MNGNNGFUARBPMW-KRWDZBQOSA-N 0 3 413.559 2.020 20 0 HEADHN CC(=O)Nc1cccc([C@H](C)NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)c1 ZINC000787085318 1080989077 /nfs/dbraw/zinc/98/90/77/1080989077.db2.gz SDCNAUMWPJCAGY-SFHVURJKSA-N 0 3 424.545 2.455 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)Nc3ccc(N(C)C)cc3C(N)=O)CC2)c1 ZINC000769183234 1080995736 /nfs/dbraw/zinc/99/57/36/1080995736.db2.gz FTIZINFKZIDRKH-UHFFFAOYSA-N 0 3 409.534 2.311 20 0 HEADHN CN(C)CCN(Cc1ccccn1)C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000769187696 1080997195 /nfs/dbraw/zinc/99/71/95/1080997195.db2.gz DHIQSRRZCSREOB-IBGZPJMESA-N 0 3 420.554 2.388 20 0 HEADHN COC(=O)c1cn([C@@H]2CCN(CCOc3ccccc3C(=O)OC(C)(C)C)C2)nn1 ZINC000769223612 1081007632 /nfs/dbraw/zinc/00/76/32/1081007632.db2.gz WNKQPNIWABGOSR-OAHLLOKOSA-N 0 3 416.478 2.346 20 0 HEADHN CN(CC(=O)NC(=O)NCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661444 1081043785 /nfs/dbraw/zinc/04/37/85/1081043785.db2.gz IBCOSEVTKJVAEM-UHFFFAOYSA-N 0 3 404.511 2.344 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCc1cccc(OCc2ccccn2)c1)N1CCCCC1 ZINC000787177948 1081045818 /nfs/dbraw/zinc/04/58/18/1081045818.db2.gz PCTVOLNMHBPOAU-GOSISDBHSA-N 0 3 410.518 2.267 20 0 HEADHN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@H]2CN2CCCC2)cc1 ZINC000769367759 1081055070 /nfs/dbraw/zinc/05/50/70/1081055070.db2.gz HEXOCSXOLXCHAC-KRWDZBQOSA-N 0 3 409.477 2.332 20 0 HEADHN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 ZINC000769367762 1081055144 /nfs/dbraw/zinc/05/51/44/1081055144.db2.gz HEXOCSXOLXCHAC-QGZVFWFLSA-N 0 3 409.477 2.332 20 0 HEADHN COc1cc(CNC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)ccc1OC(C)C ZINC000787232090 1081081055 /nfs/dbraw/zinc/08/10/55/1081081055.db2.gz BAVSKGDHOHHELX-UHFFFAOYSA-N 0 3 405.539 2.431 20 0 HEADHN CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000769450475 1081084028 /nfs/dbraw/zinc/08/40/28/1081084028.db2.gz DHTMRFOYJOFUDW-IUODEOHRSA-N 0 3 405.442 2.292 20 0 HEADHN COc1cc(CNC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)ccc1OC(C)C ZINC000787239439 1081085629 /nfs/dbraw/zinc/08/56/29/1081085629.db2.gz LPZBHVZRYHCDGT-IAGOWNOFSA-N 0 3 405.539 2.335 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787267487 1081100387 /nfs/dbraw/zinc/10/03/87/1081100387.db2.gz UCVRJXIHRPKGIG-KDOFPFPSSA-N 0 3 400.926 2.085 20 0 HEADHN Cc1c(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000787269279 1081101860 /nfs/dbraw/zinc/10/18/60/1081101860.db2.gz CMQNFTGJHRPOCR-IRXDYDNUSA-N 0 3 423.439 2.247 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(CCOCC(F)F)C1 ZINC000787272539 1081103005 /nfs/dbraw/zinc/10/30/05/1081103005.db2.gz UCDBTIORNIRBLI-JKSUJKDBSA-N 0 3 419.513 2.496 20 0 HEADHN CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000769590345 1081140246 /nfs/dbraw/zinc/14/02/46/1081140246.db2.gz CISGBKKVYVYVEY-KRWDZBQOSA-N 0 3 424.586 2.035 20 0 HEADHN COC(=O)[C@@H]1CNCCN1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164618943 719133743 /nfs/dbraw/zinc/13/37/43/719133743.db2.gz APIFTSBDNBOVEP-NSHDSACASA-N 0 3 407.204 2.313 20 0 HEADHN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164682697 719692586 /nfs/dbraw/zinc/69/25/86/719692586.db2.gz CYGURJLZQZWPQU-GOSISDBHSA-N 0 3 424.549 2.202 20 0 HEADHN c1nc2c(nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2N2CCOCC2)s1 ZINC001164729267 720361143 /nfs/dbraw/zinc/36/11/43/720361143.db2.gz XSKBGWDBTBDDHO-DLBZAZTESA-N 0 3 423.546 2.171 20 0 HEADHN CC1(C)NC(=O)N(Cc2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2)C1=O ZINC001164731484 720447955 /nfs/dbraw/zinc/44/79/55/720447955.db2.gz KWQDYNWNOQLSAE-OALUTQOASA-N 0 3 420.517 2.160 20 0 HEADHN CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164731569 720485735 /nfs/dbraw/zinc/48/57/35/720485735.db2.gz WMQFSHMABDTDIQ-JRGCBEDISA-N 0 3 407.518 2.393 20 0 HEADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739035 720737124 /nfs/dbraw/zinc/73/71/24/720737124.db2.gz HXCQBLXJHSFGLT-KGLIPLIRSA-N 0 3 414.901 2.193 20 0 HEADHN COC(=O)c1ccc2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncc2c1 ZINC001164739911 720752251 /nfs/dbraw/zinc/75/22/51/720752251.db2.gz JSPTUAVEBHAXCV-OALUTQOASA-N 0 3 405.458 2.153 20 0 HEADHN COC(=O)C[C@H](c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1)C1CC1 ZINC001164737926 720752408 /nfs/dbraw/zinc/75/24/08/720752408.db2.gz DMUSPLCQAFSWKH-SBHAEUEKSA-N 0 3 423.517 2.270 20 0 HEADHN COc1ccccc1-c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737529 720769897 /nfs/dbraw/zinc/76/98/97/720769897.db2.gz CETRANGBLPFVEX-SJORKVTESA-N 0 3 404.474 2.284 20 0 HEADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164748291 720786617 /nfs/dbraw/zinc/78/66/17/720786617.db2.gz QJCOLTNGEFRUKB-MOPGFXCFSA-N 0 3 403.490 2.287 20 0 HEADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741646 720802453 /nfs/dbraw/zinc/80/24/53/720802453.db2.gz BPFAHEMEEJGBRD-HZPDHXFCSA-N 0 3 409.881 2.324 20 0 HEADHN CCOC(=O)c1cc2ccnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2[nH]1 ZINC001164765572 721111811 /nfs/dbraw/zinc/11/18/11/721111811.db2.gz JIRSINMEOIGONA-MSOLQXFVSA-N 0 3 408.506 2.431 20 0 HEADHN CON(C)C(=O)c1cc(Cl)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164767303 721141647 /nfs/dbraw/zinc/14/16/47/721141647.db2.gz MLEOUKAJGLDGPP-WBVHZDCISA-N 0 3 418.929 2.060 20 0 HEADHN COc1cc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c(OC)c1 ZINC001164773767 721146370 /nfs/dbraw/zinc/14/63/70/721146370.db2.gz YWCIFROHVNTJEL-IAGOWNOFSA-N 0 3 408.506 2.339 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1C ZINC001164764140 721190635 /nfs/dbraw/zinc/19/06/35/721190635.db2.gz GHYVSLPNMGGQIK-LSDHHAIUSA-N 0 3 400.918 2.017 20 0 HEADHN CNC(=O)[C@]12CN(C(C)(C)c3ccnc(Cl)c3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164869618 721208841 /nfs/dbraw/zinc/20/88/41/721208841.db2.gz QZUVJFBHTGZVMR-HRAATJIYSA-N 0 3 414.941 2.477 20 0 HEADHN CN1CCN(c2cccc(N3CCC4(CC3)CN(c3ccccn3)CCO4)n2)CC1 ZINC001164869066 721220020 /nfs/dbraw/zinc/22/00/20/721220020.db2.gz BJWIBZXCTANEAB-UHFFFAOYSA-N 0 3 408.550 2.104 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](C(=O)NCc4ccco4)[C@H]3C2)nc1)C1CC1 ZINC001164766161 721257200 /nfs/dbraw/zinc/25/72/00/721257200.db2.gz SHIKWEAJWKMPRK-JRGCBEDISA-N 0 3 410.518 2.284 20 0 HEADHN CN(C)C(=O)CN1CCOCC2(CCN(C(C)(C)c3ccnc(Cl)c3)CC2)C1 ZINC001164877958 721293009 /nfs/dbraw/zinc/29/30/09/721293009.db2.gz QFZAKEFMRBBAAE-UHFFFAOYSA-N 0 3 408.974 2.473 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001164786944 721381185 /nfs/dbraw/zinc/38/11/85/721381185.db2.gz VKWIHGCALORXCF-XJUOHMSHSA-N 0 3 421.545 2.486 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164900492 721511932 /nfs/dbraw/zinc/51/19/32/721511932.db2.gz RGQBZABHQGVVHF-DZGCQCFKSA-N 0 3 406.845 2.398 20 0 HEADHN CCOC(=O)c1cnc(C)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900024 721524343 /nfs/dbraw/zinc/52/43/43/721524343.db2.gz NDQJRMHJGQIHLC-WMZOPIPTSA-N 0 3 400.454 2.443 20 0 HEADHN CCOC(=O)c1c(C)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902852 721535913 /nfs/dbraw/zinc/53/59/13/721535913.db2.gz BMGZCUYJSJLALW-SJLPKXTDSA-N 0 3 400.454 2.443 20 0 HEADHN O=c1ccccn1-c1nccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164903144 721557712 /nfs/dbraw/zinc/55/77/12/721557712.db2.gz AZXOONIORAFGMM-MJGOQNOKSA-N 0 3 407.449 2.109 20 0 HEADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908046 721568220 /nfs/dbraw/zinc/56/82/20/721568220.db2.gz PMKZRUXCKIJNLF-HOCLYGCPSA-N 0 3 419.888 2.361 20 0 HEADHN Cc1cccc(CN2CCO[C@H]3CN(c4cc(CN(C)C)ccn4)CC[C@H]3C2=O)n1 ZINC001164799415 721603249 /nfs/dbraw/zinc/60/32/49/721603249.db2.gz KETJPPCSLVIMIX-RTWAWAEBSA-N 0 3 409.534 2.101 20 0 HEADHN CN(C)Cc1ccnc(N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)c1 ZINC001164921221 721846253 /nfs/dbraw/zinc/84/62/53/721846253.db2.gz NLDNKXGURKXULH-OAQYLSRUSA-N 0 3 400.502 2.196 20 0 HEADHN O=C(CO[C@H]1CO[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)N1CCCC1 ZINC001164939552 721918749 /nfs/dbraw/zinc/91/87/49/721918749.db2.gz UPSZYWVIVRFRHF-NFBKMPQASA-N 0 3 414.550 2.054 20 0 HEADHN CN(Cc1ccc(N2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)nc1)C1CC1 ZINC001164939527 721919025 /nfs/dbraw/zinc/91/90/25/721919025.db2.gz UNOFBBLRAKUNCA-OFNKIYASSA-N 0 3 414.550 2.053 20 0 HEADHN O=C(N[C@@H]1CN(c2ncccc2CN2CCCC2)[C@H]2CCCO[C@H]12)c1cscn1 ZINC001164952284 722002206 /nfs/dbraw/zinc/00/22/06/722002206.db2.gz RBWLVMWNZNRPOS-NZSAHSFTSA-N 0 3 413.547 2.300 20 0 HEADHN CC(C)C(=O)N1CCN(c2ncccc2CN2CCCC2)C[C@]2(CCCC(=O)N2)C1 ZINC001164975785 722088731 /nfs/dbraw/zinc/08/87/31/722088731.db2.gz UTYHZXZZHORUTF-HSZRJFAPSA-N 0 3 413.566 2.021 20 0 HEADHN CN1CCC[C@@H](CNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769649290 1078484412 /nfs/dbraw/zinc/48/44/12/1078484412.db2.gz QMHXUXGNHCBYGK-FQEVSTJZSA-N 0 3 423.579 2.296 20 0 HEADHN C[C@H]([NH2+]C1(C[N-]S(=O)(=O)c2cn(C)c(Cl)n2)CCOCC1)c1ccccc1 ZINC000769898421 1078619756 /nfs/dbraw/zinc/61/97/56/1078619756.db2.gz BRFMVKITVBGPLI-AWEZNQCLSA-N 0 3 412.943 2.252 20 0 HEADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN(CC3CCC3)C(C)C)C2=O)c1 ZINC000769928657 1078661788 /nfs/dbraw/zinc/66/17/88/1078661788.db2.gz UIMLWYATEQJWFI-NRFANRHFSA-N 0 3 402.495 2.004 20 0 HEADHN Cc1ccc(N2CC[C@@H](NC(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000745858865 1078675925 /nfs/dbraw/zinc/67/59/25/1078675925.db2.gz MWWCUQUNWUDXBS-ZJSXRUAMSA-N 0 3 422.529 2.037 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861221 1078676484 /nfs/dbraw/zinc/67/64/84/1078676484.db2.gz APZSKFDMPWMGJE-NQIIRXRSSA-N 0 3 406.571 2.080 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)c2cccc(OC(C)C)c2)CC1 ZINC000745861225 1078677061 /nfs/dbraw/zinc/67/70/61/1078677061.db2.gz APZSKFDMPWMGJE-WIYYLYMNSA-N 0 3 406.571 2.080 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)N(CCN(C)C)C[C@H]3CCCO3)C2=O)cc1 ZINC000745879724 1078683564 /nfs/dbraw/zinc/68/35/64/1078683564.db2.gz WBCGGZXMJRBJOA-WOJBJXKFSA-N 0 3 402.539 2.243 20 0 HEADHN CCOC(=O)c1nnc(C2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)[n-]1 ZINC000770034426 1078698272 /nfs/dbraw/zinc/69/82/72/1078698272.db2.gz PUKTVNQBGKFKFE-AWEZNQCLSA-N 0 3 407.515 2.418 20 0 HEADHN CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000770034426 1078698276 /nfs/dbraw/zinc/69/82/76/1078698276.db2.gz PUKTVNQBGKFKFE-AWEZNQCLSA-N 0 3 407.515 2.418 20 0 HEADHN COc1cc(NC(=O)C(=O)NCCN2CC[C@@H](C)C2)ccc1NC(=O)OC(C)(C)C ZINC000746045965 1078755886 /nfs/dbraw/zinc/75/58/86/1078755886.db2.gz KTDLGGHOMNLJCQ-CQSZACIVSA-N 0 3 420.510 2.439 20 0 HEADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000770333931 1078815912 /nfs/dbraw/zinc/81/59/12/1078815912.db2.gz APTKYNOGZIUYBK-FXAWDEMLSA-N 0 3 403.527 2.131 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000770298933 1078821435 /nfs/dbraw/zinc/82/14/35/1078821435.db2.gz MOSIPBWZKGIKQT-ROUUACIJSA-N 0 3 408.587 2.166 20 0 HEADHN CCN1C(=S)N=NC1[C@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000746230011 1078822255 /nfs/dbraw/zinc/82/22/55/1078822255.db2.gz CJZZCWOKMCUAMX-INIZCTEOSA-N 0 3 407.584 2.328 20 0 HEADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)nn3)cc2)CC1=O ZINC000746261725 1078827599 /nfs/dbraw/zinc/82/75/99/1078827599.db2.gz YDOXLWVECGMFJG-ZDUSSCGKSA-N 0 3 403.870 2.271 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000770361944 1078830519 /nfs/dbraw/zinc/83/05/19/1078830519.db2.gz LVSXLNBRBIAOOV-SJORKVTESA-N 0 3 403.527 2.029 20 0 HEADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN(C[C@H]1CCOC1)C1CC1 ZINC000746502860 1078847744 /nfs/dbraw/zinc/84/77/44/1078847744.db2.gz LTEPRPMAFBIBPY-AUSIDOKSSA-N 0 3 412.534 2.031 20 0 HEADHN COc1ccc([C@H](CN2CCCC2)NC(=O)CNC(=O)OCC(F)(F)F)cc1 ZINC000770443002 1078855909 /nfs/dbraw/zinc/85/59/09/1078855909.db2.gz KKLKUISTVKPHEX-HNNXBMFYSA-N 0 3 403.401 2.237 20 0 HEADHN C[C@H](CNC(=O)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000746321583 1078858392 /nfs/dbraw/zinc/85/83/92/1078858392.db2.gz KSNJHYJUAOBNGC-UIFIKXQLSA-N 0 3 406.546 2.307 20 0 HEADHN CN1CCN(CCCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000746330187 1078861130 /nfs/dbraw/zinc/86/11/30/1078861130.db2.gz GQKXSKZHUBCSFN-NHCUHLMSSA-N 0 3 406.546 2.451 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 ZINC000766345742 1078875905 /nfs/dbraw/zinc/87/59/05/1078875905.db2.gz WCTMUTRXZQXFEA-FDMDGMSGSA-N 0 3 411.424 2.363 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](NC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000770522713 1078883555 /nfs/dbraw/zinc/88/35/55/1078883555.db2.gz PHYXDXWXSSGECP-KSZLIROESA-N 0 3 410.559 2.232 20 0 HEADHN O=C(NCC1(N2CCSCC2)CCCCC1)C(=O)Nc1ccnn1CC1CC1 ZINC000746403673 1078901133 /nfs/dbraw/zinc/90/11/33/1078901133.db2.gz UMTLNNILBJZAOT-UHFFFAOYSA-N 0 3 405.568 2.100 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)CCN1CCOC ZINC000766383172 1078931550 /nfs/dbraw/zinc/93/15/50/1078931550.db2.gz WZACKDYILOJTBX-REWPJTCUSA-N 0 3 401.551 2.402 20 0 HEADHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1Cn1nc(N2CCOCC2)n(C)c1=S ZINC000766373262 1078941098 /nfs/dbraw/zinc/94/10/98/1078941098.db2.gz FQKZJYGUUPSXKW-ZWKOTPCHSA-N 0 3 416.595 2.340 20 0 HEADHN COC(=O)Cn1cc(CCN2CCC([C@H]3CCCN3C(=O)OC(C)(C)C)CC2)nn1 ZINC000746449969 1078991215 /nfs/dbraw/zinc/99/12/15/1078991215.db2.gz NUVUYVLOTOFZAX-GOSISDBHSA-N 0 3 421.542 2.105 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](C)C[C@H](O)c3ccccc3)c2)CC1 ZINC000770749245 1079004362 /nfs/dbraw/zinc/00/43/62/1079004362.db2.gz LXLBECNRIGQXFJ-GCJKJVERSA-N 0 3 424.545 2.395 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3cnn(C)c3C3CC3)c(C)c2)CC1 ZINC000770780933 1079011744 /nfs/dbraw/zinc/01/17/44/1079011744.db2.gz VFWOPRIWWCGXRK-UHFFFAOYSA-N 0 3 410.522 2.325 20 0 HEADHN COCOc1ccc(OC)cc1CN[C@@H](C)CN1CCN(c2ccccn2)CC1 ZINC000766469717 1079021727 /nfs/dbraw/zinc/02/17/27/1079021727.db2.gz NIHJFAROKJUQAQ-SFHVURJKSA-N 0 3 400.523 2.373 20 0 HEADHN COCOc1ccc(OC)cc1CN[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000766469716 1079021866 /nfs/dbraw/zinc/02/18/66/1079021866.db2.gz NIHJFAROKJUQAQ-GOSISDBHSA-N 0 3 400.523 2.373 20 0 HEADHN CNS(=O)(=O)c1ccc([C@H](C)NC[C@@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC001168800376 1079040753 /nfs/dbraw/zinc/04/07/53/1079040753.db2.gz CNWPYWXDYDMKMI-WMLDXEAASA-N 0 3 403.504 2.167 20 0 HEADHN C[C@H](NC[C@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001168801253 1079041604 /nfs/dbraw/zinc/04/16/04/1079041604.db2.gz NRRLHPRSEHLFKF-LIRRHRJNSA-N 0 3 400.541 2.359 20 0 HEADHN C[C@H]1C[C@@H](N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859361 1079055220 /nfs/dbraw/zinc/05/52/20/1079055220.db2.gz RRNRTFBYTSHNQK-WJFTUGDTSA-N 0 3 417.554 2.402 20 0 HEADHN C[C@@H]1C[C@H](N2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858433 1079054792 /nfs/dbraw/zinc/05/47/92/1079054792.db2.gz QFKVSOWVKIHMKO-SJORKVTESA-N 0 3 400.527 2.384 20 0 HEADHN COc1ccc(CN2CC[C@@H](NCc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC001168893501 1079063356 /nfs/dbraw/zinc/06/33/56/1079063356.db2.gz PMIRRDBTWNJLBF-GOSISDBHSA-N 0 3 402.516 2.380 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(Cc4ccccc4)[C@H](CO)C3)CC2=O)cc1 ZINC001168927899 1079086584 /nfs/dbraw/zinc/08/65/84/1079086584.db2.gz VEGQEILNVQKMHW-PKTZIBPZSA-N 0 3 423.557 2.365 20 0 HEADHN CC(C)c1ccc(C[C@H]2CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC001168968662 1079093344 /nfs/dbraw/zinc/09/33/44/1079093344.db2.gz LGBLWLWTQMPFIJ-LJQANCHMSA-N 0 3 421.607 2.215 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NCc3ccnc(-n4ccnc4)c3)CC2)c1 ZINC000746175254 1079093487 /nfs/dbraw/zinc/09/34/87/1079093487.db2.gz RMPULHXNDKYQQI-UHFFFAOYSA-N 0 3 404.518 2.404 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000771041376 1079099858 /nfs/dbraw/zinc/09/98/58/1079099858.db2.gz WMNZQOXIUSNMQN-OAQYLSRUSA-N 0 3 415.534 2.405 20 0 HEADHN CCOC(=O)[C@H](Nc1ccc2nc(C)[nH]c2c1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169044976 1079110778 /nfs/dbraw/zinc/11/07/78/1079110778.db2.gz RSCQITWAZZYTAB-MOPGFXCFSA-N 0 3 417.487 2.352 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000771039991 1079112925 /nfs/dbraw/zinc/11/29/25/1079112925.db2.gz OXCHYQYNTKTFAT-FUHWJXTLSA-N 0 3 405.926 2.058 20 0 HEADHN COc1ccc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170021124 1079116903 /nfs/dbraw/zinc/11/69/03/1079116903.db2.gz VSBAZGAOHCXEJO-CVEARBPZSA-N 0 3 422.551 2.091 20 0 HEADHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000771115843 1079159700 /nfs/dbraw/zinc/15/97/00/1079159700.db2.gz DOCYPHZFARWNTN-LJQANCHMSA-N 0 3 404.555 2.354 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150783 1079166757 /nfs/dbraw/zinc/16/67/57/1079166757.db2.gz WDXXRYLQUIXTTA-SFYKDHMMSA-N 0 3 417.550 2.446 20 0 HEADHN COC(=O)N(C)Cc1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC000771156102 1079171039 /nfs/dbraw/zinc/17/10/39/1079171039.db2.gz DTZRUJBKUMYCQJ-UHFFFAOYSA-N 0 3 405.543 2.422 20 0 HEADHN CCCN(CCNC(=O)C(=O)N1CCC[C@H]1CN1CCCCC1)C(=O)OC(C)(C)C ZINC000804310498 1079204557 /nfs/dbraw/zinc/20/45/57/1079204557.db2.gz ZIHJDUNPJRSYAV-SFHVURJKSA-N 0 3 424.586 2.227 20 0 HEADHN Cc1ccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1N1CCOC1=O ZINC000771167015 1079205804 /nfs/dbraw/zinc/20/58/04/1079205804.db2.gz ALNYEVRAQGYFMN-UHFFFAOYSA-N 0 3 403.527 2.489 20 0 HEADHN CCOC(=O)N1CC[C@@H](NC(=O)NC[C@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000771287010 1079240818 /nfs/dbraw/zinc/24/08/18/1079240818.db2.gz KJULLPOVCGGLJC-IEBWSBKVSA-N 0 3 404.511 2.362 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CO1 ZINC001169383847 1079254516 /nfs/dbraw/zinc/25/45/16/1079254516.db2.gz CBEMNUASRRUONU-FCIYXJNOSA-N 0 3 404.507 2.332 20 0 HEADHN CCCCn1c(N)c(N(CC)C(=O)CN[C@@H](CC(F)(F)F)C(C)C)c(=O)[nH]c1=O ZINC001169384119 1079255077 /nfs/dbraw/zinc/25/50/77/1079255077.db2.gz XOPJKTQYKSVGJH-LBPRGKRZSA-N 0 3 421.464 2.251 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CCC(=O)N3Cc3cccc(C)n3)CC2)CO1 ZINC001169384853 1079256782 /nfs/dbraw/zinc/25/67/82/1079256782.db2.gz HCDTVDRHMNWXBU-UXHICEINSA-N 0 3 415.534 2.458 20 0 HEADHN O=C(NCCN(Cc1ccccc1)c1ccccn1)NC[C@@H]1CCCCN1CCO ZINC001687511280 1079271074 /nfs/dbraw/zinc/27/10/74/1079271074.db2.gz REEWSPHJUZQRQZ-NRFANRHFSA-N 0 3 411.550 2.234 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)CO1 ZINC001169398009 1079271233 /nfs/dbraw/zinc/27/12/33/1079271233.db2.gz PKCBFPQROFMYMD-XFGYDDDFSA-N 0 3 416.518 2.151 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394735 1079266976 /nfs/dbraw/zinc/26/69/76/1079266976.db2.gz FOXFACYANVGSEI-IIZPIQPGSA-N 0 3 404.507 2.251 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CO1 ZINC001169396150 1079268605 /nfs/dbraw/zinc/26/86/05/1079268605.db2.gz KYSRUKRSFJDNDJ-YLJYHZDGSA-N 0 3 416.518 2.124 20 0 HEADHN C[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000771306506 1079277098 /nfs/dbraw/zinc/27/70/98/1079277098.db2.gz AQGCITGUCSJOGG-KRWDZBQOSA-N 0 3 417.554 2.420 20 0 HEADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)c3ccc4ncsc4n3)C[C@H]2C1 ZINC001156305355 1079280892 /nfs/dbraw/zinc/28/08/92/1079280892.db2.gz YFIWSADFJSFGSA-KGLIPLIRSA-N 0 3 417.535 2.362 20 0 HEADHN O=C(CCN1CCCC[C@H]1COC(=O)N1CCCCC1)NC(=O)NCC(F)(F)F ZINC001170025247 1079289769 /nfs/dbraw/zinc/28/97/69/1079289769.db2.gz GXLSPHIOJZBMAS-AWEZNQCLSA-N 0 3 422.448 2.242 20 0 HEADHN CC[C@@H]1CCN(CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)[C@@H]1C ZINC001169494287 1079313755 /nfs/dbraw/zinc/31/37/55/1079313755.db2.gz HDXHQEXUCGKYBU-NVXWUHKLSA-N 0 3 413.522 2.053 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1F ZINC001169528365 1079324105 /nfs/dbraw/zinc/32/41/05/1079324105.db2.gz VHGBKEVHPWQDEU-VQIMIIECSA-N 0 3 419.522 2.131 20 0 HEADHN C[C@@H](O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2F)[C@@H](C)C1 ZINC001169540906 1079326093 /nfs/dbraw/zinc/32/60/93/1079326093.db2.gz SCSRSUYSCMDXIK-QWHCGFSZSA-N 0 3 402.308 2.304 20 0 HEADHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)COCCNC(=O)c1ccccc1 ZINC001169541051 1079326425 /nfs/dbraw/zinc/32/64/25/1079326425.db2.gz PDRLKMHSGKCSOC-SIKLNZKXSA-N 0 3 409.530 2.460 20 0 HEADHN CC1CCN(Cc2ccccc2CNS(=O)(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000766765173 1079354351 /nfs/dbraw/zinc/35/43/51/1079354351.db2.gz QSBFVWCNPNURHI-UHFFFAOYSA-N 0 3 423.579 2.092 20 0 HEADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2CN(C)C)C1=O ZINC000771497312 1079359742 /nfs/dbraw/zinc/35/97/42/1079359742.db2.gz ZKIOWFHTUMLGRG-QHCPKHFHSA-N 0 3 424.501 2.471 20 0 HEADHN Cc1ccc(NC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c(Br)n1 ZINC000771503468 1079364586 /nfs/dbraw/zinc/36/45/86/1079364586.db2.gz PPBFHJSBOXNAKT-AWEZNQCLSA-N 0 3 412.332 2.217 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000771659028 1079429261 /nfs/dbraw/zinc/42/92/61/1079429261.db2.gz XOYSSZHFTDRTOA-IBGZPJMESA-N 0 3 408.546 2.226 20 0 HEADHN Cn1ccnc1[C@@](O)(CCNC(=O)N1CCN(C2CCCCC2)CC1)C(F)(F)F ZINC000766860797 1079450752 /nfs/dbraw/zinc/45/07/52/1079450752.db2.gz UUBJHBIFSGJUEY-SFHVURJKSA-N 0 3 417.476 2.220 20 0 HEADHN Cc1cccc(CN2CCO[C@H]3CN([C@H]4CCCC5(C4)OCCO5)CC[C@H]3C2=O)n1 ZINC001169946110 1079488183 /nfs/dbraw/zinc/48/81/83/1079488183.db2.gz VHGFTGTVSNYINA-HBMCJLEFSA-N 0 3 415.534 2.125 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000737821241 1075933353 /nfs/dbraw/zinc/93/33/53/1075933353.db2.gz REKASCNFGKDFGQ-STQMWFEESA-N 0 3 406.280 2.296 20 0 HEADHN Cc1oc(-c2ccccc2F)nc1C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000737832111 1075934887 /nfs/dbraw/zinc/93/48/87/1075934887.db2.gz VIQQYBLBRYGCFL-KRWDZBQOSA-N 0 3 400.454 2.343 20 0 HEADHN O=C1CN(/C=C/c2ccccc2)C(=O)N1CN1CCC(CCN2CCOCC2)CC1 ZINC000738112614 1075966287 /nfs/dbraw/zinc/96/62/87/1075966287.db2.gz YRWVFDRDFQWLPP-UKTHLTGXSA-N 0 3 412.534 2.313 20 0 HEADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC[C@@H](n2ccnc2)C1 ZINC000738147953 1075968593 /nfs/dbraw/zinc/96/85/93/1075968593.db2.gz HEWOHIXYDOOOMP-OFNKIYASSA-N 0 3 422.533 2.064 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2[nH]c(/C=C\c3ccccc3)nc2=S)CC1 ZINC000738160619 1075970943 /nfs/dbraw/zinc/97/09/43/1075970943.db2.gz KKZMBVBEUGAMFF-HJWRWDBZSA-N 0 3 412.563 2.309 20 0 HEADHN CC(C)[C@@H]1CN(C)CCN1CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC000738285262 1075979383 /nfs/dbraw/zinc/97/93/83/1075979383.db2.gz IYLGRYGVGWKVDV-QFBILLFUSA-N 0 3 423.355 2.446 20 0 HEADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738306669 1075986824 /nfs/dbraw/zinc/98/68/24/1075986824.db2.gz XAJJQNPNLFGSOZ-PZJWPPBQSA-N 0 3 418.545 2.478 20 0 HEADHN COc1cccc2sc(NC(=O)CN3CCCN(C[C@@H]4CCCO4)CC3)nc21 ZINC000738316307 1075988531 /nfs/dbraw/zinc/98/85/31/1075988531.db2.gz CGESWTJSSBICAE-HNNXBMFYSA-N 0 3 404.536 2.430 20 0 HEADHN Cc1ccccc1OC[C@@H](O)CN(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738326782 1075990928 /nfs/dbraw/zinc/99/09/28/1075990928.db2.gz OHBNCAQBNFSKNK-IBGZPJMESA-N 0 3 407.555 2.219 20 0 HEADHN CCN(C(=O)NC[C@H]1COC2(CCOCC2)O1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771778413 1079499203 /nfs/dbraw/zinc/49/92/03/1079499203.db2.gz PQPIYSAELBFSPI-UXHICEINSA-N 0 3 403.523 2.215 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)N1CCC(C)CC1 ZINC000739083308 1076033302 /nfs/dbraw/zinc/03/33/02/1076033302.db2.gz XLVCBNJNWCLSPH-ROUUACIJSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000739068732 1076036172 /nfs/dbraw/zinc/03/61/72/1076036172.db2.gz OUAQIQUQMBAUDT-QGZVFWFLSA-N 0 3 402.539 2.231 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1)N1CCCC[C@@H]1C ZINC000739073417 1076038138 /nfs/dbraw/zinc/03/81/38/1076038138.db2.gz ZVAGXXDORYYHNS-OKZBNKHCSA-N 0 3 402.539 2.229 20 0 HEADHN Cc1cc(NC(=O)C(=O)NC[C@H](C)N2CCCCC2)ccc1OC1CCOCC1 ZINC000739077655 1076038417 /nfs/dbraw/zinc/03/84/17/1076038417.db2.gz BADMHXRCIIVXMP-KRWDZBQOSA-N 0 3 403.523 2.482 20 0 HEADHN CC(=O)Nc1cc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c(F)cc1F ZINC000739116849 1076045626 /nfs/dbraw/zinc/04/56/26/1076045626.db2.gz CQBWBJLMRKCRAZ-UHFFFAOYSA-N 0 3 408.449 2.339 20 0 HEADHN CC[C@@H](NC(=O)C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)c1nccs1 ZINC000739119743 1076046436 /nfs/dbraw/zinc/04/64/36/1076046436.db2.gz SRCRWGOLEATHRA-QGZVFWFLSA-N 0 3 401.536 2.491 20 0 HEADHN CN(CC(=O)N1CCOC[C@@H]1C1CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000766247483 1076142779 /nfs/dbraw/zinc/14/27/79/1076142779.db2.gz LEMSTRQTNOCCIL-ZZJWQFMZSA-N 0 3 407.555 2.486 20 0 HEADHN O=C(CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000766253568 1076172747 /nfs/dbraw/zinc/17/27/47/1076172747.db2.gz YKYHTITXDJYAOF-KRWDZBQOSA-N 0 3 410.522 2.337 20 0 HEADHN C[C@H]1CN(CCC(=O)Nc2sccc2C(N)=O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740883206 1076282954 /nfs/dbraw/zinc/28/29/54/1076282954.db2.gz HVRGLOREPODFTB-GXTWGEPZSA-N 0 3 410.540 2.411 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1cccc(N2CCOC2=O)c1 ZINC000741265863 1076436672 /nfs/dbraw/zinc/43/66/72/1076436672.db2.gz KPDAFRPXIOCTGR-JOCHJYFZSA-N 0 3 410.474 2.402 20 0 HEADHN Cc1ccc([C@H](O)CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)o1 ZINC000741272403 1076439584 /nfs/dbraw/zinc/43/95/84/1076439584.db2.gz ZCSRRHHLDIPVNH-WOJBJXKFSA-N 0 3 400.523 2.299 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000741328122 1076478165 /nfs/dbraw/zinc/47/81/65/1076478165.db2.gz AXNKECWKXIBKMH-FQEVSTJZSA-N 0 3 424.497 2.398 20 0 HEADHN C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000741331041 1076478624 /nfs/dbraw/zinc/47/86/24/1076478624.db2.gz OADYGNOBAVQOMG-CQSZACIVSA-N 0 3 408.462 2.135 20 0 HEADHN CON(C)C(=O)c1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000741396928 1076510054 /nfs/dbraw/zinc/51/00/54/1076510054.db2.gz VCINWGXOXKTURQ-QFIPXVFZSA-N 0 3 412.490 2.079 20 0 HEADHN CN(C(=O)c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCCN(C)C1 ZINC000741713724 1076590028 /nfs/dbraw/zinc/59/00/28/1076590028.db2.gz HITYLJJKGBILDK-QGZVFWFLSA-N 0 3 404.511 2.316 20 0 HEADHN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742162834 1076772839 /nfs/dbraw/zinc/77/28/39/1076772839.db2.gz KESMOMUHCSCTGR-APWZRJJASA-N 0 3 419.323 2.120 20 0 HEADHN CCOC(=O)N1CCC(S(=O)(=O)NC2CCN(CCc3ccccc3)CC2)CC1 ZINC000742276472 1076808606 /nfs/dbraw/zinc/80/86/06/1076808606.db2.gz HGENJUGFDDNGDA-UHFFFAOYSA-N 0 3 423.579 2.234 20 0 HEADHN Cc1ccc([C@H](CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)N(C)C)cc1 ZINC000742402144 1076837890 /nfs/dbraw/zinc/83/78/90/1076837890.db2.gz QXYAHDYKHDUXAY-GBXCKJPGSA-N 0 3 420.513 2.107 20 0 HEADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(OCc2ccccc2)ccn1 ZINC000742615672 1076856898 /nfs/dbraw/zinc/85/68/98/1076856898.db2.gz FPZWJHWJNXCMPH-NRFANRHFSA-N 0 3 410.518 2.333 20 0 HEADHN Cc1nonc1C(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1 ZINC000743463671 1077056061 /nfs/dbraw/zinc/05/60/61/1077056061.db2.gz NQTGMPZVNCDWOV-UHFFFAOYSA-N 0 3 409.284 2.414 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@](C)(O)c2ccco2)CC1 ZINC000743546837 1077066568 /nfs/dbraw/zinc/06/65/68/1077066568.db2.gz BQUOVLUSKGGTLF-JOCHJYFZSA-N 0 3 400.523 2.124 20 0 HEADHN C[C@@H]1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CCN1Cc1ccccc1 ZINC000743547047 1077066672 /nfs/dbraw/zinc/06/66/72/1077066672.db2.gz LYTZHINPVVHZCU-GOSISDBHSA-N 0 3 405.506 2.468 20 0 HEADHN Cc1cc([C@@](C)(O)CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c(C)o1 ZINC000743549902 1077067429 /nfs/dbraw/zinc/06/74/29/1077067429.db2.gz DOABRYGQLXMWDU-QHCPKHFHSA-N 0 3 414.550 2.351 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000743622443 1077076502 /nfs/dbraw/zinc/07/65/02/1077076502.db2.gz GWMDAXGZNDHTED-KZNAEPCWSA-N 0 3 412.575 2.480 20 0 HEADHN CC(=O)N(C)C1CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743843805 1077148515 /nfs/dbraw/zinc/14/85/15/1077148515.db2.gz WDYHERNNPCKNQV-SFTDATJTSA-N 0 3 419.566 2.426 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000743915630 1077193624 /nfs/dbraw/zinc/19/36/24/1077193624.db2.gz ZWIZGJXGGGHZRZ-DOTOQJQBSA-N 0 3 405.470 2.065 20 0 HEADHN Cc1c(NC(=O)C(=O)N2CCCN(C(C)(C)C)CC2)cccc1N1CCOC1=O ZINC000743900231 1077213398 /nfs/dbraw/zinc/21/33/98/1077213398.db2.gz TYVPSWXOIBJHCG-UHFFFAOYSA-N 0 3 402.495 2.223 20 0 HEADHN COC(=O)C(C)(C)c1ccc(NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)cc1 ZINC000743906144 1077219571 /nfs/dbraw/zinc/21/95/71/1077219571.db2.gz FBRIVCHYYURTEO-SFHVURJKSA-N 0 3 401.507 2.163 20 0 HEADHN CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1C ZINC000743924232 1077248878 /nfs/dbraw/zinc/24/88/78/1077248878.db2.gz KGLOEQWOJXWYOW-UHFFFAOYSA-N 0 3 408.502 2.107 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2N2CCOC2=O)C1 ZINC000743972511 1077275393 /nfs/dbraw/zinc/27/53/93/1077275393.db2.gz NFUPYUGLCJSCCR-SFHVURJKSA-N 0 3 422.485 2.315 20 0 HEADHN CCN(CC)C(=O)c1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1Cl ZINC000743978597 1077291713 /nfs/dbraw/zinc/29/17/13/1077291713.db2.gz LFGGKGWWPMOXCI-AWEZNQCLSA-N 0 3 408.930 2.361 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1OCC1CCOCC1 ZINC000743979615 1077292375 /nfs/dbraw/zinc/29/23/75/1077292375.db2.gz UWNNGNIQILFVCR-KRWDZBQOSA-N 0 3 403.523 2.339 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000743980682 1077293174 /nfs/dbraw/zinc/29/31/74/1077293174.db2.gz GSVOYDUZYUVRSJ-QGZVFWFLSA-N 0 3 408.502 2.156 20 0 HEADHN CC(=O)Nc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)c(C(F)(F)F)c1 ZINC000743981902 1077295020 /nfs/dbraw/zinc/29/50/20/1077295020.db2.gz LWEFJTPSWHEZKI-NSHDSACASA-N 0 3 400.401 2.203 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000743983646 1077295428 /nfs/dbraw/zinc/29/54/28/1077295428.db2.gz XZCZCPQZRNCRIW-KZNAEPCWSA-N 0 3 414.550 2.344 20 0 HEADHN CC[C@H](C)N(C)CCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001545681333 1077711507 /nfs/dbraw/zinc/71/15/07/1077711507.db2.gz RVCWFTWHJTUUKV-YLFCFFPRSA-N 0 3 415.604 2.118 20 0 HEADHN CC(C)[C@H](C(=O)O[C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCCC1 ZINC000745088400 1077725206 /nfs/dbraw/zinc/72/52/06/1077725206.db2.gz NKTWPNJVRSYFHB-CEWLAPEOSA-N 0 3 401.551 2.429 20 0 HEADHN COCCOC(=O)c1sc2[nH]c(CN[C@H]3C[C@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000745222021 1077781359 /nfs/dbraw/zinc/78/13/59/1077781359.db2.gz SCLWAKBLOXLFIK-YUNKPMOVSA-N 0 3 423.535 2.389 20 0 HEADHN CCN(CCCN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)CC(F)(F)F ZINC000771763201 1079516779 /nfs/dbraw/zinc/51/67/79/1079516779.db2.gz BTNGAJKRVOUDMB-UHFFFAOYSA-N 0 3 422.517 2.454 20 0 HEADHN CC(C)(C)OC(=O)NC[C@](C)(NCC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC1 ZINC000766937990 1079528395 /nfs/dbraw/zinc/52/83/95/1079528395.db2.gz FFOYOJXPNPKNAL-JTSKRJEESA-N 0 3 403.523 2.389 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@](C)(NCC(=O)NC[C@@H]1COc2ccccc2O1)C1CC1 ZINC000766942790 1079531399 /nfs/dbraw/zinc/53/13/99/1079531399.db2.gz SJZDTHNDYHXMHC-OPAMFIHVSA-N 0 3 419.522 2.226 20 0 HEADHN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NCCCCN1CCN(C)CC1 ZINC000771918803 1079571970 /nfs/dbraw/zinc/57/19/70/1079571970.db2.gz IYFFRYFMZKTEDO-ROUUACIJSA-N 0 3 411.591 2.053 20 0 HEADHN Cc1cc(S(=O)(=O)NCCN[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C)s1 ZINC000771980100 1079622497 /nfs/dbraw/zinc/62/24/97/1079622497.db2.gz LEQQPDIVSFKDES-AWEZNQCLSA-N 0 3 403.570 2.242 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000767171202 1079707054 /nfs/dbraw/zinc/70/70/54/1079707054.db2.gz UVBNATUEODRHCT-IBGZPJMESA-N 0 3 422.595 2.434 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C ZINC000772071984 1079709087 /nfs/dbraw/zinc/70/90/87/1079709087.db2.gz VFKHEKWXPZPOKS-IRXDYDNUSA-N 0 3 415.600 2.298 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000772071981 1079709284 /nfs/dbraw/zinc/70/92/84/1079709284.db2.gz VFKHEKWXPZPOKS-IAGOWNOFSA-N 0 3 415.600 2.298 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000767195525 1079730735 /nfs/dbraw/zinc/73/07/35/1079730735.db2.gz JZVFFYQZHKZSKW-UWWQBHOKSA-N 0 3 401.960 2.499 20 0 HEADHN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000772475173 1079894606 /nfs/dbraw/zinc/89/46/06/1079894606.db2.gz ASHLRYXCLGVXCJ-SJORKVTESA-N 0 3 413.584 2.099 20 0 HEADHN CCOc1cc2c(cc1CNC(=O)C(=O)NC[C@@H](C)N1CCCCC1)O[C@H](C)C2 ZINC000785497863 1080020924 /nfs/dbraw/zinc/02/09/24/1080020924.db2.gz AWDCLRAIPXTHRD-HZPDHXFCSA-N 0 3 403.523 2.016 20 0 HEADHN CC(C)[C@@H](NC(=O)C(=O)NC[C@@H](C)N1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000785504392 1080025337 /nfs/dbraw/zinc/02/53/37/1080025337.db2.gz HRAVSDHBVBLZKA-OXQOHEQNSA-N 0 3 403.523 2.262 20 0 HEADHN CC1(C)CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000785512794 1080028788 /nfs/dbraw/zinc/02/87/88/1080028788.db2.gz GFLDNINDYIMSDE-QHCPKHFHSA-N 0 3 414.550 2.420 20 0 HEADHN CCOC(=O)C1=C(CN(C)CC2CCOCC2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000767700815 1080030092 /nfs/dbraw/zinc/03/00/92/1080030092.db2.gz JKACNXUMGOBYPN-FQEVSTJZSA-N 0 3 417.506 2.225 20 0 HEADHN CCOC(=O)C1C(CN(C)CC2CCOCC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000767700815 1080030104 /nfs/dbraw/zinc/03/01/04/1080030104.db2.gz JKACNXUMGOBYPN-FQEVSTJZSA-N 0 3 417.506 2.225 20 0 HEADHN CCOC1CC(CNCc2cc3c(C)nn(C)c3nc2Cl)(N2CCOCC2)C1 ZINC000767734912 1080058056 /nfs/dbraw/zinc/05/80/56/1080058056.db2.gz DFCLBFXETSVDLM-UHFFFAOYSA-N 0 3 407.946 2.290 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC000767779151 1080085092 /nfs/dbraw/zinc/08/50/92/1080085092.db2.gz JCERSUQMIFFFOP-JOCHJYFZSA-N 0 3 414.525 2.496 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2cccc(OC(F)F)c2)CC1=O ZINC000785651904 1080106891 /nfs/dbraw/zinc/10/68/91/1080106891.db2.gz HQPGOLRHWJTQDZ-HZPDHXFCSA-N 0 3 424.444 2.347 20 0 HEADHN C[C@@H](CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000767921538 1080216579 /nfs/dbraw/zinc/21/65/79/1080216579.db2.gz KAZUANGMJAZREM-FDDCHVKYSA-N 0 3 418.582 2.426 20 0 HEADHN NC(=O)[C@@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1ccc(F)cc1 ZINC000785710498 1080217463 /nfs/dbraw/zinc/21/74/63/1080217463.db2.gz SIBZFNCQQXDBLL-FQEVSTJZSA-N 0 3 400.450 2.413 20 0 HEADHN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000768033045 1080276502 /nfs/dbraw/zinc/27/65/02/1080276502.db2.gz ZODDJZGTXUOYDI-HZPDHXFCSA-N 0 3 407.511 2.272 20 0 HEADHN Cc1cccc(N2CCN(CCCCNC(=O)N3CCCC4(C3)OCCO4)CC2)c1 ZINC000768037560 1080278797 /nfs/dbraw/zinc/27/87/97/1080278797.db2.gz VKRAOTRMWMEMLQ-UHFFFAOYSA-N 0 3 416.566 2.446 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)[C@@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000785860928 1080286319 /nfs/dbraw/zinc/28/63/19/1080286319.db2.gz ZILMHVWKHDOJCX-RUZDIDTESA-N 0 3 407.558 2.360 20 0 HEADHN Cc1ccc([C@@H](O)CNC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000768020938 1080288649 /nfs/dbraw/zinc/28/86/49/1080288649.db2.gz OHPVVSWSBUFSID-QFIPXVFZSA-N 0 3 424.545 2.314 20 0 HEADHN COc1ccc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)nc1Cl ZINC000768065998 1080302487 /nfs/dbraw/zinc/30/24/87/1080302487.db2.gz OOZYOCDBUMHVBR-UHFFFAOYSA-N 0 3 416.909 2.499 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NCC[C@H](O)c3ccccc3)c2)CC1 ZINC000768087562 1080320683 /nfs/dbraw/zinc/32/06/83/1080320683.db2.gz UBZBHBCYQIQJEC-QFIPXVFZSA-N 0 3 424.545 2.395 20 0 HEADHN CN1CCN(CCCNC(=O)N[C@@H]2CCCC3(C2)OCCO3)[C@@H](c2ccccc2)C1 ZINC000768201942 1080391429 /nfs/dbraw/zinc/39/14/29/1080391429.db2.gz MHPIVDVNDSQENJ-NHCUHLMSSA-N 0 3 416.566 2.350 20 0 HEADHN CN(CCN1CCN(C(=O)[C@@]2(O)CCc3ccccc3C2)CC1)Cc1ccccc1 ZINC000786098718 1080393370 /nfs/dbraw/zinc/39/33/70/1080393370.db2.gz ITABSQGANBQRQR-RUZDIDTESA-N 0 3 407.558 2.183 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)CC1 ZINC001169989112 1080396705 /nfs/dbraw/zinc/39/67/05/1080396705.db2.gz BJIMWMYCLLDMHN-QFIPXVFZSA-N 0 3 414.594 2.079 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000786255127 1080494072 /nfs/dbraw/zinc/49/40/72/1080494072.db2.gz JBDBRLHWJUHNQZ-HSZRJFAPSA-N 0 3 423.517 2.283 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000786255128 1080494350 /nfs/dbraw/zinc/49/43/50/1080494350.db2.gz JBDBRLHWJUHNQZ-QHCPKHFHSA-N 0 3 423.517 2.283 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000786325778 1080563030 /nfs/dbraw/zinc/56/30/30/1080563030.db2.gz FVCHZYUWGCXULE-SJORKVTESA-N 0 3 421.925 2.437 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3C[C@@H]4CCC[C@H]4[C@H]3C(=O)OC)cc2)CC1 ZINC000786444232 1080605427 /nfs/dbraw/zinc/60/54/27/1080605427.db2.gz KWSAYRQLMMZQGW-WEYGHZABSA-N 0 3 414.550 2.041 20 0 HEADHN CS(=O)(=O)c1cc(C(=O)Nc2ccc(CN3CCC(O)CC3)cc2)ccc1F ZINC000786482270 1080622824 /nfs/dbraw/zinc/62/28/24/1080622824.db2.gz LWFBNOISJIYORP-UHFFFAOYSA-N 0 3 406.479 2.438 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCc1ccc(Cl)nc1 ZINC000786615014 1080710903 /nfs/dbraw/zinc/71/09/03/1080710903.db2.gz SJVYRWIMCWRWNR-UHFFFAOYSA-N 0 3 410.852 2.220 20 0 HEADHN Cc1cc(-n2cc(COC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)nn2)ccc1F ZINC000786766677 1080809698 /nfs/dbraw/zinc/80/96/98/1080809698.db2.gz KBAFWQKUMDERKH-OCCSQVGLSA-N 0 3 400.332 2.215 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 ZINC000786774890 1080816559 /nfs/dbraw/zinc/81/65/59/1080816559.db2.gz BCKIINZPUKNOPA-NVXWUHKLSA-N 0 3 411.543 2.023 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)CN2C(=S)N=NC2c2ccc(Cl)cc2)CC1 ZINC000746604043 1080822641 /nfs/dbraw/zinc/82/26/41/1080822641.db2.gz YRXURCSERVKCRS-CQSZACIVSA-N 0 3 422.986 2.029 20 0 HEADHN CC1(C(=O)OCc2nnnn2CC2CCOCC2)CCN(Cc2ccccc2)CC1 ZINC000768870913 1080825833 /nfs/dbraw/zinc/82/58/33/1080825833.db2.gz PDHXRGFFDQIKEG-UHFFFAOYSA-N 0 3 413.522 2.445 20 0 HEADHN Cc1csc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1I ZINC000786852077 1080851597 /nfs/dbraw/zinc/85/15/97/1080851597.db2.gz VGQRFPWVPFPKES-GHMZBOCLSA-N 0 3 406.289 2.254 20 0 HEADHN CCN1CCN([C@@H](C)CNS(=O)(=O)/C=C/c2ccccc2Br)CC1 ZINC000786868826 1080862153 /nfs/dbraw/zinc/86/21/53/1080862153.db2.gz JAZUDFJQOHDJER-NRUITVPNSA-N 0 3 416.385 2.365 20 0 HEADHN CCn1cc(CN2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC000769026646 1080889018 /nfs/dbraw/zinc/88/90/18/1080889018.db2.gz YXLKUVPHRBKWRJ-GOSISDBHSA-N 0 3 405.543 2.194 20 0 HEADHN Cc1nccn1CCCN(C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746627981 1080957432 /nfs/dbraw/zinc/95/74/32/1080957432.db2.gz RMYWVQZGJKHIRD-HSZRJFAPSA-N 0 3 424.549 2.058 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2n[nH]c3ccccc23)C1 ZINC000769192920 1080965898 /nfs/dbraw/zinc/96/58/98/1080965898.db2.gz RTAUACINRAATII-HNNXBMFYSA-N 0 3 401.511 2.416 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000769192920 1080965918 /nfs/dbraw/zinc/96/59/18/1080965918.db2.gz RTAUACINRAATII-HNNXBMFYSA-N 0 3 401.511 2.416 20 0 HEADHN CC(=O)Nc1ccccc1CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192197 1080967749 /nfs/dbraw/zinc/96/77/49/1080967749.db2.gz HZXBFZIMKGEUDK-SFHVURJKSA-N 0 3 418.538 2.498 20 0 HEADHN CCO[C@H]1C[C@@H](NCC(=O)Nc2cc(-n3cnnn3)ccc2F)C12CCCCC2 ZINC001170002527 1081000956 /nfs/dbraw/zinc/00/09/56/1081000956.db2.gz NPJCYKVDIYNPKX-MSOLQXFVSA-N 0 3 402.474 2.457 20 0 HEADHN Cc1ccccc1OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001109443240 1081010981 /nfs/dbraw/zinc/01/09/81/1081010981.db2.gz ZQADDUVOPCGVNH-JXDTVZCFSA-N 0 3 401.551 2.205 20 0 HEADHN CC(C)[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000787243833 1081067250 /nfs/dbraw/zinc/06/72/50/1081067250.db2.gz RABSXYRQIKCUTC-FUHWJXTLSA-N 0 3 412.575 2.430 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CN[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000769423002 1081069094 /nfs/dbraw/zinc/06/90/94/1081069094.db2.gz ITVVUHOCTRTUPD-CKEIUWERSA-N 0 3 420.000 2.349 20 0 HEADHN CN(CC(=O)NC1CCC2(CC1)OCCO2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746666870 1081099664 /nfs/dbraw/zinc/09/96/64/1081099664.db2.gz AYDGRDMAGZRWJP-NRFANRHFSA-N 0 3 401.551 2.385 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(NC(=O)OC(C)(C)C)nc2)CC1 ZINC000769534964 1081113051 /nfs/dbraw/zinc/11/30/51/1081113051.db2.gz ZVPBOCJWSLRKCA-QGZVFWFLSA-N 0 3 403.527 2.167 20 0 HEADHN CCN(CCO)CCNC(=O)c1ccc(OS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000769635764 1081154575 /nfs/dbraw/zinc/15/45/75/1081154575.db2.gz OUUPLKDRZKAJJB-UHFFFAOYSA-N 0 3 420.531 2.115 20 0 HEADHN CCN(CCO)CCNC(=O)[C@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000769636047 1081154612 /nfs/dbraw/zinc/15/46/12/1081154612.db2.gz SXVRIIIFCSDPPA-SCEWNMGZSA-N 0 3 407.942 2.165 20 0 HEADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)c2c1CCNC2 ZINC001164684274 719606096 /nfs/dbraw/zinc/60/60/96/719606096.db2.gz OCJZUDHJZVBEPT-UHFFFAOYSA-N 0 3 412.872 2.114 20 0 HEADHN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164684289 719692065 /nfs/dbraw/zinc/69/20/65/719692065.db2.gz HXKPNIFAEHQMEU-QGZVFWFLSA-N 0 3 424.549 2.200 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ccnc(NC(=O)OC(C)(C)C)n1)CC2 ZINC001164683363 719709615 /nfs/dbraw/zinc/70/96/15/719709615.db2.gz JVNJGTRPFCTUQG-UHFFFAOYSA-N 0 3 404.515 2.004 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1cc(C)nc(NC(=O)c3ccccc3)n1)CC2 ZINC001164690012 719750838 /nfs/dbraw/zinc/75/08/38/719750838.db2.gz ONNHILQMQCJECT-UHFFFAOYSA-N 0 3 422.533 2.218 20 0 HEADHN CN(Cc1ccc(N2CCO[C@@H]3[C@H](OCC(=O)N4CCCC4)CC[C@@H]32)nc1)C1CC1 ZINC001164709410 720086177 /nfs/dbraw/zinc/08/61/77/720086177.db2.gz DRVAYMWECLBGSK-MZKRTTBSSA-N 0 3 414.550 2.051 20 0 HEADHN COc1ccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164740230 720604860 /nfs/dbraw/zinc/60/48/60/720604860.db2.gz HWJCAUMPDPUSLZ-UKRRQHHQSA-N 0 3 412.881 2.424 20 0 HEADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164740089 720710430 /nfs/dbraw/zinc/71/04/30/720710430.db2.gz PSAAZHLOQVZLTR-ZIAGYGMSSA-N 0 3 412.881 2.424 20 0 HEADHN COC(=O)c1ccc2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ncc2c1 ZINC001164739910 720750260 /nfs/dbraw/zinc/75/02/60/720750260.db2.gz JSPTUAVEBHAXCV-MOPGFXCFSA-N 0 3 405.458 2.153 20 0 HEADHN COc1cc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc2c(OC)c1 ZINC001164742750 720801339 /nfs/dbraw/zinc/80/13/39/720801339.db2.gz DMFNJJWEUFADBL-NVXWUHKLSA-N 0 3 407.474 2.384 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3COC[C@]3(C(=O)NCCc3ccccc3)C2)nc1)C1CC1 ZINC001164849311 720817016 /nfs/dbraw/zinc/81/70/16/720817016.db2.gz FLCDFXCFGKYLTD-PXDATVDWSA-N 0 3 420.557 2.488 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ncc21 ZINC001164865902 721069772 /nfs/dbraw/zinc/06/97/72/721069772.db2.gz BLZZGUBBSQKHOW-ZWKOTPCHSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164769576 721087871 /nfs/dbraw/zinc/08/78/71/721087871.db2.gz OVOMECOTABEQDF-ZWKOTPCHSA-N 0 3 406.490 2.108 20 0 HEADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865368 721089378 /nfs/dbraw/zinc/08/93/78/721089378.db2.gz KKYMUAGOHYMWCQ-RBUKOAKNSA-N 0 3 423.517 2.405 20 0 HEADHN COc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864334 721104325 /nfs/dbraw/zinc/10/43/25/721104325.db2.gz FLDRZSIIJLUAHL-PMACEKPBSA-N 0 3 418.501 2.422 20 0 HEADHN COC(=O)c1cc2c(OC)[nH]c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)cc-2n1 ZINC001164769875 721124290 /nfs/dbraw/zinc/12/42/90/721124290.db2.gz PSDUMQYZGZQVSV-JKSUJKDBSA-N 0 3 424.505 2.050 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1C ZINC001164877645 721136586 /nfs/dbraw/zinc/13/65/86/721136586.db2.gz PMTVWSSSYNSJPE-CVEARBPZSA-N 0 3 413.913 2.200 20 0 HEADHN CCOC(=O)c1cnc2cc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)[nH]cc1-2 ZINC001164766071 721187003 /nfs/dbraw/zinc/18/70/03/721187003.db2.gz IWMZGNGEPAWOEQ-DLBZAZTESA-N 0 3 408.506 2.431 20 0 HEADHN CCN(C)c1cc(C)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164887859 721378737 /nfs/dbraw/zinc/37/87/37/721378737.db2.gz IRBLOXYCBNOUPG-SIKLNZKXSA-N 0 3 402.587 2.007 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@H]2CCCO[C@H]21)c1cccnc1 ZINC001164786942 721381339 /nfs/dbraw/zinc/38/13/39/721381339.db2.gz VKWIHGCALORXCF-MQSCRBSSSA-N 0 3 421.545 2.486 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889445 721400210 /nfs/dbraw/zinc/40/02/10/721400210.db2.gz QNWKYPOWFVUXED-MGPUTAFESA-N 0 3 419.961 2.080 20 0 HEADHN O=C([C@@H]1CCO[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]21)N1CCCO1 ZINC001164789055 721482314 /nfs/dbraw/zinc/48/23/14/721482314.db2.gz AISSSIVKGIRLBS-VAMGGRTRSA-N 0 3 400.523 2.073 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCNC3)[C@@H]2CCCO[C@@H]12 ZINC001164803672 721535998 /nfs/dbraw/zinc/53/59/98/721535998.db2.gz IRUXBHUJYAKYCB-GUDVDZBRSA-N 0 3 414.941 2.039 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(CN5CCCC5)cn4)C[C@@H]32)cc1 ZINC001165016138 721796625 /nfs/dbraw/zinc/79/66/25/721796625.db2.gz CFPCXIUDDIYJRW-FCHUYYIVSA-N 0 3 422.529 2.302 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@H]3CN(c4ncccc4CN4CCCC4)C[C@@H]32)cc1 ZINC001165020477 721796999 /nfs/dbraw/zinc/79/69/99/721796999.db2.gz FTGPOMWFMGDRLU-VXKWHMMOSA-N 0 3 422.529 2.302 20 0 HEADHN O=C1COC2(CCN(c3ccc(CN4CCCC4)cn3)CC2)CN1Cc1cccnc1 ZINC001164952103 722002865 /nfs/dbraw/zinc/00/28/65/722002865.db2.gz KJOCYBDNEKXPQA-UHFFFAOYSA-N 0 3 421.545 2.470 20 0 HEADHN COCCn1ccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978435 722123318 /nfs/dbraw/zinc/12/33/18/722123318.db2.gz OQBUVZGLQCETND-FPOVZHCZSA-N 0 3 422.533 2.200 20 0 HEADHN Cc1cn(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cn1 ZINC001164978947 722131793 /nfs/dbraw/zinc/13/17/93/722131793.db2.gz LEBDZPNSKSFLRG-UXHICEINSA-N 0 3 405.506 2.093 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H]1CS(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000769755980 1078541630 /nfs/dbraw/zinc/54/16/30/1078541630.db2.gz OQRVBGAPCCVJJU-UXHICEINSA-N 0 3 421.563 2.191 20 0 HEADHN CCOC(=O)N1CC[C@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)C1 ZINC000769735040 1078553284 /nfs/dbraw/zinc/55/32/84/1078553284.db2.gz FZCZDZZPXBLZOV-PKOBYXMFSA-N 0 3 404.511 2.362 20 0 HEADHN CCC[C@]1(CO)CCCN1CC1=C(C(=O)OCC)[C@@H](c2ccccc2)NC(=O)N1 ZINC000769914280 1078632280 /nfs/dbraw/zinc/63/22/80/1078632280.db2.gz YIAIICAIMCEWKK-DENIHFKCSA-N 0 3 401.507 2.485 20 0 HEADHN CC(=O)N1CCN(C(=O)[C@@H](C)N2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)CC1 ZINC000769942928 1078647191 /nfs/dbraw/zinc/64/71/91/1078647191.db2.gz KEOYMKWCSDJYEC-QGZVFWFLSA-N 0 3 424.586 2.035 20 0 HEADHN C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769947098 1078648552 /nfs/dbraw/zinc/64/85/52/1078648552.db2.gz SGSQYSXYOHOXHD-AEFFLSMTSA-N 0 3 424.586 2.068 20 0 HEADHN CN(C)C[C@H]1CN(C(=O)c2nccn3c(Br)cnc23)c2ccccc2O1 ZINC000769993259 1078677525 /nfs/dbraw/zinc/67/75/25/1078677525.db2.gz MTPIJHMWYOIMOK-LBPRGKRZSA-N 0 3 416.279 2.461 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)[C@H](c1ccccc1)N(C)C ZINC000770044075 1078702503 /nfs/dbraw/zinc/70/25/03/1078702503.db2.gz COEAMJRWCMVLSJ-LERMDLETSA-N 0 3 408.502 2.261 20 0 HEADHN C[C@H]1CCN(CCNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942877 1078707473 /nfs/dbraw/zinc/70/74/73/1078707473.db2.gz UNLZRCNYCHPUEG-AZUAARDMSA-N 0 3 423.579 2.296 20 0 HEADHN CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@@H](c3ccccc3)N(C)C)cc2S1(=O)=O ZINC000770053160 1078706771 /nfs/dbraw/zinc/70/67/71/1078706771.db2.gz YTYFLWCJXGVVPE-KUHUBIRLSA-N 0 3 415.515 2.272 20 0 HEADHN C[C@@H]1CCN(CCNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000745942883 1078708019 /nfs/dbraw/zinc/70/80/19/1078708019.db2.gz UNLZRCNYCHPUEG-UYAOXDASSA-N 0 3 423.579 2.296 20 0 HEADHN Cc1nn(-c2ccccc2)c2ncc(C(=O)N[C@@H](C)CCN3CCN(C)CC3)cc12 ZINC000770176008 1078748777 /nfs/dbraw/zinc/74/87/77/1078748777.db2.gz YWVQBFUPVVHVAQ-KRWDZBQOSA-N 0 3 406.534 2.485 20 0 HEADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)C1 ZINC000746046948 1078757265 /nfs/dbraw/zinc/75/72/65/1078757265.db2.gz TWXULJGHQSHVFT-KRWDZBQOSA-N 0 3 414.550 2.488 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000770173114 1078769381 /nfs/dbraw/zinc/76/93/81/1078769381.db2.gz LFAURKYKIJHYAZ-PZJWPPBQSA-N 0 3 416.566 2.320 20 0 HEADHN Cc1occc1-c1cc(NC(=O)[C@@]2(O)CCN(Cc3ccccc3)C2)n(CCO)n1 ZINC000746207539 1078818593 /nfs/dbraw/zinc/81/85/93/1078818593.db2.gz NWEWHXYEASCTLV-JOCHJYFZSA-N 0 3 410.474 2.019 20 0 HEADHN CC(C)(C)OC(=O)NC1(CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CCC1 ZINC000746227243 1078821811 /nfs/dbraw/zinc/82/18/11/1078821811.db2.gz WMJXKBBULPCXRF-LJQANCHMSA-N 0 3 417.550 2.359 20 0 HEADHN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220679 1078825167 /nfs/dbraw/zinc/82/51/67/1078825167.db2.gz YJCPYNZTXVPYRJ-VQIMIIECSA-N 0 3 405.539 2.025 20 0 HEADHN COc1cc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000770319765 1078827777 /nfs/dbraw/zinc/82/77/77/1078827777.db2.gz BZBWIMYIEOXFBE-JKSUJKDBSA-N 0 3 404.463 2.249 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NC3CN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC000746271551 1078840257 /nfs/dbraw/zinc/84/02/57/1078840257.db2.gz BYSSPAGWPZMHAA-UHFFFAOYSA-N 0 3 402.539 2.243 20 0 HEADHN Cc1nn(C)c(N2CCOCC2)c1CN1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000770386243 1078849272 /nfs/dbraw/zinc/84/92/72/1078849272.db2.gz MDRWWLVXFUDBIA-NVXWUHKLSA-N 0 3 407.559 2.300 20 0 HEADHN CCNC(=O)COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)cc1OC ZINC000770387395 1078849741 /nfs/dbraw/zinc/84/97/41/1078849741.db2.gz PSQOCCFLXMCSPM-RTBURBONSA-N 0 3 416.522 2.032 20 0 HEADHN COc1ccc([C@H](CN2CCCC2)NC(=O)Cc2csc(-c3nc[nH]n3)n2)cc1 ZINC000770443881 1078856214 /nfs/dbraw/zinc/85/62/14/1078856214.db2.gz MVEDRYIRIVQIHT-KRWDZBQOSA-N 0 3 412.519 2.433 20 0 HEADHN CN(C(=O)CCc1nc2c(cnn2C)c(=O)[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746358928 1078874023 /nfs/dbraw/zinc/87/40/23/1078874023.db2.gz IDQRFDKOUIWZNO-KRWDZBQOSA-N 0 3 408.506 2.125 20 0 HEADHN CC(C)OCCN1CCC(NC(=O)c2cccnc2I)CC1 ZINC000770555036 1078880208 /nfs/dbraw/zinc/88/02/08/1078880208.db2.gz RNCFIPDETMBWCS-UHFFFAOYSA-N 0 3 417.291 2.305 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1ccnn1CC1CC1 ZINC000746379680 1078885004 /nfs/dbraw/zinc/88/50/04/1078885004.db2.gz PZXATLSFRSLBFT-UHFFFAOYSA-N 0 3 405.449 2.100 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000770588502 1078899207 /nfs/dbraw/zinc/89/92/07/1078899207.db2.gz APZCPVYGTINPOD-ZWKOTPCHSA-N 0 3 411.591 2.053 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766347547 1078890997 /nfs/dbraw/zinc/89/09/97/1078890997.db2.gz ODFSJWZZGWCDEG-PZJWPPBQSA-N 0 3 416.566 2.177 20 0 HEADHN C[C@H](CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)CN1CCN(C)CC1 ZINC000766355746 1078911005 /nfs/dbraw/zinc/91/10/05/1078911005.db2.gz QFDLREBUXACOAP-TZIWHRDSSA-N 0 3 416.566 2.035 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000770604512 1078913106 /nfs/dbraw/zinc/91/31/06/1078913106.db2.gz JPUAMLHLLONIJM-KZNAEPCWSA-N 0 3 411.591 2.052 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000770625949 1078920936 /nfs/dbraw/zinc/92/09/36/1078920936.db2.gz NUUPUISHTCICDE-ICSRJNTNSA-N 0 3 401.507 2.015 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363169 1078925014 /nfs/dbraw/zinc/92/50/14/1078925014.db2.gz HAJUTOHISJZNAN-VAMGGRTRSA-N 0 3 401.507 2.015 20 0 HEADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cccnc1-c1cnn(C)c1 ZINC001168790973 1078988677 /nfs/dbraw/zinc/98/86/77/1078988677.db2.gz AVSWSFVSOQOMBI-QHCPKHFHSA-N 0 3 405.502 2.191 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccc([C@H](C)O)cc3)c2)CC1 ZINC000770745773 1079002444 /nfs/dbraw/zinc/00/24/44/1079002444.db2.gz OZGSZTZDUSSKQR-KRWDZBQOSA-N 0 3 410.518 2.137 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000766456721 1079009852 /nfs/dbraw/zinc/00/98/52/1079009852.db2.gz AEJBLPYULPNOHT-VXGBXAGGSA-N 0 3 416.703 2.020 20 0 HEADHN CCOC(=O)C1C(CN2CCN(C)C[C@@H]2C(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000746461977 1079014580 /nfs/dbraw/zinc/01/45/80/1079014580.db2.gz ILHAGJUDDJHDDC-UYAOXDASSA-N 0 3 400.523 2.130 20 0 HEADHN CCOC(=O)C1=C(CN2CCN(C)C[C@@H]2C(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000746461977 1079014586 /nfs/dbraw/zinc/01/45/86/1079014586.db2.gz ILHAGJUDDJHDDC-UYAOXDASSA-N 0 3 400.523 2.130 20 0 HEADHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H](CO)C[C@H](O)c1ccccc1 ZINC000770849228 1079037377 /nfs/dbraw/zinc/03/73/77/1079037377.db2.gz HFDLEUPJRONOHS-GMAHTHKFSA-N 0 3 411.546 2.190 20 0 HEADHN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCN(C)C(C)(C)CC1 ZINC001168798767 1079039498 /nfs/dbraw/zinc/03/94/98/1079039498.db2.gz GSMKONMJAJHDSE-ICSRJNTNSA-N 0 3 403.567 2.472 20 0 HEADHN C[C@H](NC[C@@](C)(O)CN(C)C(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1 ZINC001168801251 1079041726 /nfs/dbraw/zinc/04/17/26/1079041726.db2.gz NRRLHPRSEHLFKF-IFXJQAMLSA-N 0 3 400.541 2.359 20 0 HEADHN CC(C)(C)OC(=O)N1CCc2c(CN3CCC(S(N)(=O)=O)CC3)cccc2C1 ZINC001168838066 1079049965 /nfs/dbraw/zinc/04/99/65/1079049965.db2.gz LPARNNQQSVBYMQ-UHFFFAOYSA-N 0 3 409.552 2.233 20 0 HEADHN Cc1ccc(N2CCO[C@H]3CN([C@H]4C[C@H](C)N(C(=O)OC(C)(C)C)C4)C[C@H]32)nn1 ZINC001168858294 1079054805 /nfs/dbraw/zinc/05/48/05/1079054805.db2.gz PUEMRWDAQJHZBI-FJIDUMEYSA-N 0 3 403.527 2.072 20 0 HEADHN Cc1ccc(N2CCO[C@H]3CN([C@@H]4C[C@H](C)N(C(=O)OC(C)(C)C)C4)C[C@H]32)nn1 ZINC001168858295 1079054891 /nfs/dbraw/zinc/05/48/91/1079054891.db2.gz PUEMRWDAQJHZBI-MLHJIOFPSA-N 0 3 403.527 2.072 20 0 HEADHN C[C@H]1C[C@@H](N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)CN1C(=O)OC(C)(C)C ZINC001168868790 1079058558 /nfs/dbraw/zinc/05/85/58/1079058558.db2.gz UYVTZVVASSBWTG-FUHWJXTLSA-N 0 3 407.555 2.488 20 0 HEADHN C[C@@H]1C[C@@H](N2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)CN1C(=O)OC(C)(C)C ZINC001168869894 1079059513 /nfs/dbraw/zinc/05/95/13/1079059513.db2.gz YUKDHBOUAMPYAS-NXHRZFHOSA-N 0 3 417.554 2.256 20 0 HEADHN COc1cccc(NC(=O)Cc2noc([C@@]3(O)CCN(Cc4ccccc4)C3)n2)c1 ZINC000770959079 1079079478 /nfs/dbraw/zinc/07/94/78/1079079478.db2.gz SBFWDIHMBVLZIX-JOCHJYFZSA-N 0 3 408.458 2.353 20 0 HEADHN COc1ccc(CN2CC[C@H](NCC(=O)NCc3cccc(OC)c3)CC2=O)cc1 ZINC001168916932 1079075081 /nfs/dbraw/zinc/07/50/81/1079075081.db2.gz VRKNQEDVNYJYLL-IBGZPJMESA-N 0 3 411.502 2.101 20 0 HEADHN O=C(Cc1noc([C@]2(O)CCN(Cc3ccccc3)C2)n1)NCCc1ccccc1 ZINC000770980853 1079094286 /nfs/dbraw/zinc/09/42/86/1079094286.db2.gz HFSFPKZIAKVELU-QHCPKHFHSA-N 0 3 406.486 2.065 20 0 HEADHN CC(C)(C)OC(=O)NCc1nc(C(=O)NC2CCN([C@H]3CCOC3)CC2)cs1 ZINC000771037689 1079111988 /nfs/dbraw/zinc/11/19/88/1079111988.db2.gz FCLCECSDRPAHNE-AWEZNQCLSA-N 0 3 410.540 2.151 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1nc(NCc2ccco2)ncc1Cl ZINC000771037631 1079112032 /nfs/dbraw/zinc/11/20/32/1079112032.db2.gz DTPIBEBIEUPHEA-CQSZACIVSA-N 0 3 405.886 2.318 20 0 HEADHN COC(=O)[C@@](C)(N)Cc1cn(-c2ccc(C(=O)N3CCNCC3)cc2)c2ccccc12 ZINC001169114588 1079161934 /nfs/dbraw/zinc/16/19/34/1079161934.db2.gz DAKAPBHFCFCRJM-DEOSSOPVSA-N 0 3 420.513 2.109 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)CNc3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC001169149873 1079166645 /nfs/dbraw/zinc/16/66/45/1079166645.db2.gz OYKUMHIUMGMUPG-IBGZPJMESA-N 0 3 401.532 2.201 20 0 HEADHN O[C@@H](CN1CCC(Oc2cccc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC001169154802 1079168078 /nfs/dbraw/zinc/16/80/78/1079168078.db2.gz ZANDYDGQCBUGQA-CRAIPNDOSA-N 0 3 400.313 2.195 20 0 HEADHN C[C@@H](N)c1nc2ccccc2n1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169161479 1079170625 /nfs/dbraw/zinc/17/06/25/1079170625.db2.gz DDMZNENUIFRQDW-HUUCEWRRSA-N 0 3 423.521 2.235 20 0 HEADHN Cc1cc([C@H]2CCCN2[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)no1 ZINC001169191364 1079179635 /nfs/dbraw/zinc/17/96/35/1079179635.db2.gz MPBNJKISQXDRJC-RHSMWYFYSA-N 0 3 414.510 2.126 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000771165951 1079181073 /nfs/dbraw/zinc/18/10/73/1079181073.db2.gz OOEPLIIWOACQOP-JGTBNHKDSA-N 0 3 406.474 2.462 20 0 HEADHN Cc1nc([C@@H](C)N[C@@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169960 1079185416 /nfs/dbraw/zinc/18/54/16/1079185416.db2.gz QQEIWQYTEVGIPQ-QWHCGFSZSA-N 0 3 404.540 2.108 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000771136066 1079187575 /nfs/dbraw/zinc/18/75/75/1079187575.db2.gz YSVWRVRXLVSCKE-QYZOEREBSA-N 0 3 403.571 2.448 20 0 HEADHN C[C@@H](N)c1ccn(-c2ccc(C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)n1 ZINC001169231263 1079204212 /nfs/dbraw/zinc/20/42/12/1079204212.db2.gz GZCUEVRIXZMKBV-GFCCVEGCSA-N 0 3 403.483 2.449 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC3(CCN(Cc4cccnc4)C3=O)CC2)CO1 ZINC001169384867 1079257010 /nfs/dbraw/zinc/25/70/10/1079257010.db2.gz HETPHAJLEJHXLA-RTBURBONSA-N 0 3 401.507 2.007 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CC2)Cc2ccccc2CN(C)C3=O)CO1 ZINC001169399714 1079273385 /nfs/dbraw/zinc/27/33/85/1079273385.db2.gz WKQRHQCNCKRFPB-VQTJNVASSA-N 0 3 400.519 2.394 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@]3(C[C@@H](OCc4cccc(C)n4)CO3)C2)CO1 ZINC001169394736 1079266898 /nfs/dbraw/zinc/26/68/98/1079266898.db2.gz FOXFACYANVGSEI-JBPLPALLSA-N 0 3 404.507 2.251 20 0 HEADHN CCN(CC)C(=O)C[C@H](C)N1CC[C@H]2C(=O)N(Cc3cccc(C)n3)CCO[C@H]2C1 ZINC001169473100 1079311106 /nfs/dbraw/zinc/31/11/06/1079311106.db2.gz URITZSXURIILCA-TYPHKJRUSA-N 0 3 416.566 2.086 20 0 HEADHN CC[C@H]1CCN(CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)[C@H]1C ZINC001169494288 1079313698 /nfs/dbraw/zinc/31/36/98/1079313698.db2.gz HDXHQEXUCGKYBU-RDJZCZTQSA-N 0 3 413.522 2.053 20 0 HEADHN CCOC(=O)N1CCC[C@@H](N2CCCn3c(=O)cc(CN4CCCC4)nc3C2)CC1 ZINC001169695422 1079376115 /nfs/dbraw/zinc/37/61/15/1079376115.db2.gz XCRMQAMVSWJUOJ-LJQANCHMSA-N 0 3 417.554 2.056 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000771578127 1079378292 /nfs/dbraw/zinc/37/82/92/1079378292.db2.gz FZNBHPMYIFBTAL-JHRFGPFWSA-N 0 3 420.513 2.222 20 0 HEADHN O=C(/C=C/c1ccc(I)o1)NC1CCN([C@@H]2CCOC2)CC1 ZINC000771583642 1079381087 /nfs/dbraw/zinc/38/10/87/1079381087.db2.gz ZRAHCYIOQPFBBS-CXLRFSCWSA-N 0 3 416.259 2.267 20 0 HEADHN CC(C)(C)OC(=O)CS(=O)(=O)CCN[C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC001169715934 1079383193 /nfs/dbraw/zinc/38/31/93/1079383193.db2.gz SAVZTGAESIFPGA-AWEZNQCLSA-N 0 3 422.588 2.272 20 0 HEADHN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN2CCc3ccccc3C2)C1=O ZINC000771601939 1079393131 /nfs/dbraw/zinc/39/31/31/1079393131.db2.gz PBSNUKWTIBKAOL-XMMPIXPASA-N 0 3 420.513 2.409 20 0 HEADHN Cn1cc([C@@H]2CC(=O)NC23CCN([C@@H]2CCCN(C(=O)c4ccccc4)C2)CC3)cn1 ZINC001169775165 1079396190 /nfs/dbraw/zinc/39/61/90/1079396190.db2.gz ZVIWDEHIMKJDOV-RTWAWAEBSA-N 0 3 421.545 2.163 20 0 HEADHN COC(=O)COc1c(C)cc(C(=O)NC(C)(C)CCN2CCN(C)CC2)cc1C ZINC000771659675 1079430629 /nfs/dbraw/zinc/43/06/29/1079430629.db2.gz BAUCEPYEIDWVED-UHFFFAOYSA-N 0 3 405.539 2.001 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC[C@]3(CCN(Cc4cccnc4)C3=O)C2)CC1 ZINC001169880575 1079454471 /nfs/dbraw/zinc/45/44/71/1079454471.db2.gz PHTICVPKMSNNOG-GRERDSQWSA-N 0 3 405.564 2.252 20 0 HEADHN C[NH+](C)CCOc1ccccc1N1CCN(C(=O)c2nnc3ccccc3c2[O-])CC1 ZINC000737995858 1075949515 /nfs/dbraw/zinc/94/95/15/1075949515.db2.gz ZXHLQFPDUVDKIV-UHFFFAOYSA-N 0 3 421.501 2.238 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1CN1C(=O)N[C@@](C)(c2ccccc2Br)C1=O ZINC000738286570 1075979399 /nfs/dbraw/zinc/97/93/99/1075979399.db2.gz XLOGAXKJNIRFBY-APWZRJJASA-N 0 3 423.355 2.446 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(F)cc(N)c3F)cc2)CC1 ZINC000738717229 1076012918 /nfs/dbraw/zinc/01/29/18/1076012918.db2.gz RHFOZIYJNZHILT-UHFFFAOYSA-N 0 3 418.444 2.484 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)N1CCC(C)CC1 ZINC000739083306 1076033209 /nfs/dbraw/zinc/03/32/09/1076033209.db2.gz XLVCBNJNWCLSPH-MSOLQXFVSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cc1 ZINC000739067660 1076035508 /nfs/dbraw/zinc/03/55/08/1076035508.db2.gz LKCOYDVHMJHNBW-XMSQKQJNSA-N 0 3 424.545 2.139 20 0 HEADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 ZINC000739078510 1076038488 /nfs/dbraw/zinc/03/84/88/1076038488.db2.gz CYEYOGITYMKVNO-KURKYZTESA-N 0 3 402.539 2.087 20 0 HEADHN CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccc1F ZINC000739787613 1076082499 /nfs/dbraw/zinc/08/24/99/1076082499.db2.gz IORKSIHTICVKTF-OAHLLOKOSA-N 0 3 411.543 2.460 20 0 HEADHN CCN1C[C@H](C)N(CC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)C[C@H]1C ZINC000766250701 1076150752 /nfs/dbraw/zinc/15/07/52/1076150752.db2.gz AKLFUIGKWSHBRJ-SJORKVTESA-N 0 3 404.530 2.091 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(COc2ccccc2)c1)CN1CCN(C)CC1 ZINC000740493517 1076172896 /nfs/dbraw/zinc/17/28/96/1076172896.db2.gz DSVXZDZHZMOQRK-IBGZPJMESA-N 0 3 424.545 2.204 20 0 HEADHN CN1CCN(c2ccncc2NC(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000740650142 1076209245 /nfs/dbraw/zinc/20/92/45/1076209245.db2.gz CZYWTOWMBJGFMW-UHFFFAOYSA-N 0 3 424.473 2.011 20 0 HEADHN COc1ccc(-c2nn(CN3CCN(CC(C)(C)O)CC3)c(=S)o2)cc1OC ZINC000740758842 1076228862 /nfs/dbraw/zinc/22/88/62/1076228862.db2.gz FZEYAZDNUQYLSL-UHFFFAOYSA-N 0 3 408.524 2.236 20 0 HEADHN CN1CCN(c2ccncc2NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)CC1 ZINC000740818654 1076245158 /nfs/dbraw/zinc/24/51/58/1076245158.db2.gz AYIGOVHCIXCBOU-UHFFFAOYSA-N 0 3 408.911 2.143 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)cc1 ZINC000740880863 1076281358 /nfs/dbraw/zinc/28/13/58/1076281358.db2.gz DSBLIWFSVRIPOC-WDYCEAGBSA-N 0 3 422.522 2.448 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@](C)(O)c3ccsc3)cc2)CC1 ZINC000740906068 1076298919 /nfs/dbraw/zinc/29/89/19/1076298919.db2.gz AFKULPUIWHKOQS-OAQYLSRUSA-N 0 3 402.564 2.202 20 0 HEADHN CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000741071096 1076353220 /nfs/dbraw/zinc/35/32/20/1076353220.db2.gz QLUKOFCNGATSQQ-ZWKOTPCHSA-N 0 3 410.540 2.213 20 0 HEADHN CN(C)S(=O)(=O)c1ccc(COC(=O)C2CCN(Cc3ccccc3)CC2)o1 ZINC000741330093 1076478716 /nfs/dbraw/zinc/47/87/16/1076478716.db2.gz PFODMSXZSVWKIK-UHFFFAOYSA-N 0 3 406.504 2.485 20 0 HEADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000741435466 1076527141 /nfs/dbraw/zinc/52/71/41/1076527141.db2.gz CXRYEBXJBNXARY-QGZVFWFLSA-N 0 3 404.511 2.106 20 0 HEADHN CN(C)Cc1cccc(NC(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c1 ZINC000741435464 1076527219 /nfs/dbraw/zinc/52/72/19/1076527219.db2.gz CXRYEBXJBNXARY-KRWDZBQOSA-N 0 3 404.511 2.106 20 0 HEADHN CN(C(=O)c1ccc(NC(=O)CCCn2ccccc2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000741610689 1076565260 /nfs/dbraw/zinc/56/52/60/1076565260.db2.gz DCYSSMXJJLYNGB-HXUWFJFHSA-N 0 3 410.518 2.433 20 0 HEADHN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)[C@@H]1CCCN(C)C1 ZINC000741626962 1076571032 /nfs/dbraw/zinc/57/10/32/1076571032.db2.gz YSMZGDNLDFPVIY-XXBNENTESA-N 0 3 408.502 2.159 20 0 HEADHN CCN1CCN(CCCNC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000741669206 1076575148 /nfs/dbraw/zinc/57/51/48/1076575148.db2.gz QRXZXAFCOOOOEL-NRFANRHFSA-N 0 3 400.567 2.307 20 0 HEADHN CCN1CCN(CCCNC(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000741669208 1076575181 /nfs/dbraw/zinc/57/51/81/1076575181.db2.gz QRXZXAFCOOOOEL-OAQYLSRUSA-N 0 3 400.567 2.307 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000741693445 1076588520 /nfs/dbraw/zinc/58/85/20/1076588520.db2.gz QYXKANYPRCOAEK-RXVVDRJESA-N 0 3 400.567 2.305 20 0 HEADHN Cc1ccc(C)c([C@@H]2CN(CN3C(=O)NC4(CCN(C)CC4)C3=O)[C@H](C)CO2)c1 ZINC000742169011 1076762750 /nfs/dbraw/zinc/76/27/50/1076762750.db2.gz AHXVHPWVJLMBIK-MJGOQNOKSA-N 0 3 400.523 2.039 20 0 HEADHN CC1CCN(c2nn(CN3CCN(CC(C)(C)O)CC3)c(=S)n2C2CC2)CC1 ZINC000742151256 1076767444 /nfs/dbraw/zinc/76/74/44/1076767444.db2.gz QEJRLTJSKDARKY-UHFFFAOYSA-N 0 3 408.616 2.331 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)NC[C@H]2CCN(C3CC3)C2)C1 ZINC000742275278 1076808243 /nfs/dbraw/zinc/80/82/43/1076808243.db2.gz MRKJYVSLLBWLRS-UYAOXDASSA-N 0 3 421.563 2.191 20 0 HEADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)ccc1Br ZINC000742305172 1076813384 /nfs/dbraw/zinc/81/33/84/1076813384.db2.gz PDFKPHAWQGUGKV-IAQYHMDHSA-N 0 3 419.341 2.196 20 0 HEADHN CN1CCN(CCCNC(=O)CNC(=O)OCc2ccccc2)[C@H](c2ccccc2)C1 ZINC000742287697 1076816919 /nfs/dbraw/zinc/81/69/19/1076816919.db2.gz JBRJAXCQCVETNF-QFIPXVFZSA-N 0 3 424.545 2.408 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000742290314 1076818741 /nfs/dbraw/zinc/81/87/41/1076818741.db2.gz UERVAMWSDKAFCF-WOJBJXKFSA-N 0 3 421.563 2.288 20 0 HEADHN CN(C[C@H]1CCCN(C)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742297075 1076820900 /nfs/dbraw/zinc/82/09/00/1076820900.db2.gz VJZABIKXELMQGX-PMACEKPBSA-N 0 3 423.579 2.391 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742542418 1076850215 /nfs/dbraw/zinc/85/02/15/1076850215.db2.gz SBIVUVLFJTVHDE-KRWDZBQOSA-N 0 3 411.543 2.167 20 0 HEADHN C[C@@H]1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CCN1Cc1ccccc1 ZINC000742960233 1076906079 /nfs/dbraw/zinc/90/60/79/1076906079.db2.gz UGKVCQYPWDXSEC-OAHLLOKOSA-N 0 3 405.495 2.210 20 0 HEADHN C[C@H]1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)CCN1Cc1ccccc1 ZINC000742960231 1076906395 /nfs/dbraw/zinc/90/63/95/1076906395.db2.gz UGKVCQYPWDXSEC-HNNXBMFYSA-N 0 3 405.495 2.210 20 0 HEADHN C[C@H]1NC(C(=O)N2CC[C@@H](C)N(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000742964003 1076910853 /nfs/dbraw/zinc/91/08/53/1076910853.db2.gz VMWMDOODJMTZMR-RTBURBONSA-N 0 3 419.529 2.448 20 0 HEADHN CCN(CC)[C@@H](CNC(=O)Nc1ccn(CCS(C)(=O)=O)n1)c1ccsc1 ZINC000743205220 1076997134 /nfs/dbraw/zinc/99/71/34/1076997134.db2.gz QOKXBFSLJNUFAF-HNNXBMFYSA-N 0 3 413.569 2.194 20 0 HEADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000743185901 1077001960 /nfs/dbraw/zinc/00/19/60/1077001960.db2.gz AYIYUFBEIZYUMA-IBGZPJMESA-N 0 3 419.595 2.304 20 0 HEADHN O=C1N[C@@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN1CCC2(C1)CCOCC2 ZINC000743406706 1077047753 /nfs/dbraw/zinc/04/77/53/1077047753.db2.gz YWRCSBLEANCKEN-HSZRJFAPSA-N 0 3 412.534 2.033 20 0 HEADHN CN(C[C@H]1CCCN1C(=O)NCCCCN1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000743535317 1077064920 /nfs/dbraw/zinc/06/49/20/1077064920.db2.gz FMEHQTSYSYQADN-GOSISDBHSA-N 0 3 411.591 2.055 20 0 HEADHN CC(C)(C)OC(=O)N[C@H](CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1 ZINC000743594207 1077077313 /nfs/dbraw/zinc/07/73/13/1077077313.db2.gz QYLOAOOFWVHRQA-CEXWTWQISA-N 0 3 418.538 2.415 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](Cc1ccccc1)N(C)C ZINC000743714735 1077095416 /nfs/dbraw/zinc/09/54/16/1077095416.db2.gz PZHCXAAUMGLPMY-MSOLQXFVSA-N 0 3 424.998 2.467 20 0 HEADHN C[C@@H](CN1CCCCC1)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000743855849 1077143459 /nfs/dbraw/zinc/14/34/59/1077143459.db2.gz MUDJAIBJSOMCIC-SFHVURJKSA-N 0 3 422.595 2.409 20 0 HEADHN CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C12CCC2 ZINC000743929995 1077255286 /nfs/dbraw/zinc/25/52/86/1077255286.db2.gz XQFCZOOLPRHUMV-UXHICEINSA-N 0 3 414.550 2.231 20 0 HEADHN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1F ZINC000743971988 1077275769 /nfs/dbraw/zinc/27/57/69/1077275769.db2.gz FYGTWRBQCPLIQF-QGZVFWFLSA-N 0 3 413.449 2.284 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000743978337 1077291730 /nfs/dbraw/zinc/29/17/30/1077291730.db2.gz GHWVVQXHCXYHOC-IAGOWNOFSA-N 0 3 400.523 2.240 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000743979609 1077292661 /nfs/dbraw/zinc/29/26/61/1077292661.db2.gz HTDQKOJEBLZSJQ-INIZCTEOSA-N 0 3 410.522 2.211 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000743979211 1077292933 /nfs/dbraw/zinc/29/29/33/1077292933.db2.gz DYDRNFZDMLZGAV-KRWDZBQOSA-N 0 3 420.513 2.429 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1N1CCSCC1 ZINC000743981478 1077294323 /nfs/dbraw/zinc/29/43/23/1077294323.db2.gz RCPJAVUHRDMLKU-CQSZACIVSA-N 0 3 410.971 2.432 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC(C)CC1 ZINC000743983351 1077295614 /nfs/dbraw/zinc/29/56/14/1077295614.db2.gz WEPJLJUJBOWYMJ-QGZVFWFLSA-N 0 3 400.523 2.098 20 0 HEADHN CCN1CCCC[C@H]1C(=O)OCC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC000745087275 1077724792 /nfs/dbraw/zinc/72/47/92/1077724792.db2.gz QIYYANQXRQRJQB-NRFANRHFSA-N 0 3 401.551 2.447 20 0 HEADHN COCCOC(=O)c1sc2[nH]c(CN[C@@H]3C[C@@](C)(OC)C3(C)C)nc(=O)c2c1C ZINC000745222019 1077781391 /nfs/dbraw/zinc/78/13/91/1077781391.db2.gz SCLWAKBLOXLFIK-MPBGBICISA-N 0 3 423.535 2.389 20 0 HEADHN CNC(=O)c1cccc(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)c1 ZINC000745367332 1077812694 /nfs/dbraw/zinc/81/26/94/1077812694.db2.gz AHAVRAFPVBCUJQ-UHFFFAOYSA-N 0 3 423.513 2.246 20 0 HEADHN O=C(CN1C(=S)N=NC1c1cccs1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000745400334 1077818520 /nfs/dbraw/zinc/81/85/20/1077818520.db2.gz YLGGYQIPBDUNEM-AWEZNQCLSA-N 0 3 407.565 2.009 20 0 HEADHN O[C@]1(c2nc(Cc3nncn3-c3ccccc3)no2)CCN(Cc2ccccc2)C1 ZINC000771783545 1079503794 /nfs/dbraw/zinc/50/37/94/1079503794.db2.gz WOLWRLPLWVDVDA-JOCHJYFZSA-N 0 3 402.458 2.335 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000771794925 1079511505 /nfs/dbraw/zinc/51/15/05/1079511505.db2.gz HMKXSRHTYJAKAO-KRWDZBQOSA-N 0 3 402.539 2.296 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCC[C@H](C(=O)Nc2ccccn2)C1)c1ccccc1 ZINC000771763659 1079518968 /nfs/dbraw/zinc/51/89/68/1079518968.db2.gz XCOBPWJXLWHTCD-VQTJNVASSA-N 0 3 409.534 2.151 20 0 HEADHN CC(C)(C)OC(=O)NC[C@](C)(NCC(=O)NC[C@@H]1COc2ccccc2O1)C1CC1 ZINC000766942791 1079531230 /nfs/dbraw/zinc/53/12/30/1079531230.db2.gz SJZDTHNDYHXMHC-ZHRRBRCNSA-N 0 3 419.522 2.226 20 0 HEADHN CCOC(=O)C1=C(CN[C@@H](CCO)C2CC2)NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000771802922 1079537773 /nfs/dbraw/zinc/53/77/73/1079537773.db2.gz YVHICGWXMPZDJN-YJBOKZPZSA-N 0 3 407.898 2.262 20 0 HEADHN CCn1c2ccc(S(=O)(=O)N3CCCCC3)cc2nc1CN[C@H](CO)C1CC1 ZINC000771805715 1079539195 /nfs/dbraw/zinc/53/91/95/1079539195.db2.gz TZRLOXJLJGQEFK-GOSISDBHSA-N 0 3 406.552 2.091 20 0 HEADHN COc1cc(CN[C@@H](CCO)c2cccs2)ccc1OCC(=O)N1CCOCC1 ZINC000740900441 1079580994 /nfs/dbraw/zinc/58/09/94/1079580994.db2.gz PONCVCCCFIABHJ-KRWDZBQOSA-N 0 3 420.531 2.208 20 0 HEADHN C[C@H]1CC[C@H](C)N1CC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000767124716 1079691108 /nfs/dbraw/zinc/69/11/08/1079691108.db2.gz JKAASZCMANFOQQ-STQMWFEESA-N 0 3 408.442 2.348 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCN(C3CCC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170039764 1079758716 /nfs/dbraw/zinc/75/87/16/1079758716.db2.gz VQEYVGKZTWDWLJ-MSOLQXFVSA-N 0 3 424.611 2.067 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1ccc(F)cc1F ZINC000767358341 1079828319 /nfs/dbraw/zinc/82/83/19/1079828319.db2.gz CGQYDWQVPZSIQS-RXVVDRJESA-N 0 3 401.413 2.195 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000772602810 1080003732 /nfs/dbraw/zinc/00/37/32/1080003732.db2.gz SMHSMFWNZILVGG-MSOLQXFVSA-N 0 3 410.559 2.281 20 0 HEADHN COCCN1CCC[C@H]1CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000772602817 1080004127 /nfs/dbraw/zinc/00/41/27/1080004127.db2.gz SMHSMFWNZILVGG-ZWKOTPCHSA-N 0 3 410.559 2.281 20 0 HEADHN C[C@@H](CNC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000772605370 1080004531 /nfs/dbraw/zinc/00/45/31/1080004531.db2.gz QKGGEIFTPVVHNQ-HKUYNNGSSA-N 0 3 423.602 2.053 20 0 HEADHN CC1(C)CN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC2(CCCC2)O1 ZINC000785547145 1080052627 /nfs/dbraw/zinc/05/26/27/1080052627.db2.gz TUMXNLLJRUMIOT-UHFFFAOYSA-N 0 3 406.527 2.086 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCCOC(C)(C)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170048453 1080094896 /nfs/dbraw/zinc/09/48/96/1080094896.db2.gz NQEOEYAFAFMMKT-CVEARBPZSA-N 0 3 413.584 2.398 20 0 HEADHN CCOC(=O)N1CCC(NC(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000742241111 1080095125 /nfs/dbraw/zinc/09/51/25/1080095125.db2.gz VWSRVLYBFQUIGL-UHFFFAOYSA-N 0 3 402.539 2.244 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)ccc2OC)CC1=O ZINC000785652140 1080106487 /nfs/dbraw/zinc/10/64/87/1080106487.db2.gz XJJKQCAFOJRZSA-DLBZAZTESA-N 0 3 402.491 2.062 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)C2CCC(F)(F)CC2)CC1=O ZINC000785652132 1080106754 /nfs/dbraw/zinc/10/67/54/1080106754.db2.gz XGRYTTYSGFUASU-HOTGVXAUSA-N 0 3 400.466 2.257 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)NCCN3CCCCCC3)C[C@@H](C1)C2=O ZINC000767832268 1080146443 /nfs/dbraw/zinc/14/64/43/1080146443.db2.gz YAWIZVXDFFYJJN-AYHJJNSGSA-N 0 3 407.555 2.441 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)CNC(=O)OCC(F)(F)F)c2)CC1 ZINC000767881953 1080200096 /nfs/dbraw/zinc/20/00/96/1080200096.db2.gz KNQNJJBIMIUQTC-UHFFFAOYSA-N 0 3 402.417 2.444 20 0 HEADHN CCC[C@H](C)[C@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000767905746 1080222964 /nfs/dbraw/zinc/22/29/64/1080222964.db2.gz IGHCXGBQAGFXAU-QXATTWAWSA-N 0 3 416.522 2.394 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000785810991 1080254129 /nfs/dbraw/zinc/25/41/29/1080254129.db2.gz XRXDKKBFIZJBGW-INIZCTEOSA-N 0 3 416.497 2.016 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000785825079 1080260929 /nfs/dbraw/zinc/26/09/29/1080260929.db2.gz MTCSDLBQBBOLAF-NQIIRXRSSA-N 0 3 415.534 2.499 20 0 HEADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000767984822 1080275180 /nfs/dbraw/zinc/27/51/80/1080275180.db2.gz YLNHLDLWUWFDKF-JTQLQIEISA-N 0 3 403.708 2.427 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCCc1ccc(Br)s1)N1CCCCC1 ZINC000785973209 1080331353 /nfs/dbraw/zinc/33/13/53/1080331353.db2.gz VRHNHYMGZOMKNN-LBPRGKRZSA-N 0 3 402.358 2.160 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@H]3CSCCS3)c2)CC1 ZINC000768109676 1080344150 /nfs/dbraw/zinc/34/41/50/1080344150.db2.gz XFTWMSMZAKSOMP-SFHVURJKSA-N 0 3 422.620 2.120 20 0 HEADHN CN(C)S(=O)(=O)c1cc(C(=O)NCCN2CCCC(C)(C)C2)ccc1Cl ZINC000768110180 1080345384 /nfs/dbraw/zinc/34/53/84/1080345384.db2.gz OXMFOZOCORMVNB-UHFFFAOYSA-N 0 3 401.960 2.442 20 0 HEADHN O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000768144321 1080351985 /nfs/dbraw/zinc/35/19/85/1080351985.db2.gz AMAWYNGLSRQTCV-SNVBAGLBSA-N 0 3 401.692 2.037 20 0 HEADHN C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(C2CCOCC2)C[C@H]1C ZINC000785992584 1080353175 /nfs/dbraw/zinc/35/31/75/1080353175.db2.gz JOGAXKXQOKQEQM-MOPGFXCFSA-N 0 3 416.566 2.035 20 0 HEADHN CCOc1c(Cl)cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000768169321 1080382735 /nfs/dbraw/zinc/38/27/35/1080382735.db2.gz YQFZAYRJFIZJCT-STQMWFEESA-N 0 3 416.305 2.310 20 0 HEADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768209658 1080397847 /nfs/dbraw/zinc/39/78/47/1080397847.db2.gz SJSMFRHESTWBNR-OAQYLSRUSA-N 0 3 416.566 2.179 20 0 HEADHN C[C@H](CC(F)(F)F)N[C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000768270800 1080452401 /nfs/dbraw/zinc/45/24/01/1080452401.db2.gz CXBXCPFILPIOCH-GHMZBOCLSA-N 0 3 402.460 2.404 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000786247171 1080487015 /nfs/dbraw/zinc/48/70/15/1080487015.db2.gz BNTKMDQTZJWRIU-XLIONFOSSA-N 0 3 414.554 2.014 20 0 HEADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1cccc(CN(C)C)c1 ZINC000768326986 1080488111 /nfs/dbraw/zinc/48/81/11/1080488111.db2.gz MIROWTUKVHEZGY-SFHVURJKSA-N 0 3 406.527 2.352 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@H]2CC23CCOCC3)CC1 ZINC000786444882 1080607552 /nfs/dbraw/zinc/60/75/52/1080607552.db2.gz FPHBAYNMEQIBRU-HXUWFJFHSA-N 0 3 400.519 2.389 20 0 HEADHN C[C@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000746587411 1080617797 /nfs/dbraw/zinc/61/77/97/1080617797.db2.gz XWZGLNKZGMBINF-FUHWJXTLSA-N 0 3 406.486 2.428 20 0 HEADHN C[C@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000746587411 1080617804 /nfs/dbraw/zinc/61/78/04/1080617804.db2.gz XWZGLNKZGMBINF-FUHWJXTLSA-N 0 3 406.486 2.428 20 0 HEADHN CC(C)N1CCN(c2ccc(C(=O)OC[C@H]3CCCN(S(C)(=O)=O)C3)cc2)CC1 ZINC000786487350 1080630032 /nfs/dbraw/zinc/63/00/32/1080630032.db2.gz ATBZIDRXJZTLSE-SFHVURJKSA-N 0 3 423.579 2.045 20 0 HEADHN C[C@@H](C(=O)OCC1CCN(Cc2ccco2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000772686180 1080707976 /nfs/dbraw/zinc/70/79/76/1080707976.db2.gz YPNGMDSBLLGAHP-HNNXBMFYSA-N 0 3 403.479 2.288 20 0 HEADHN CN(C)[C@H](CNC(=S)NCCCN1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000768784242 1080796614 /nfs/dbraw/zinc/79/66/14/1080796614.db2.gz JLJFDSSRISDIHD-QGZVFWFLSA-N 0 3 418.529 2.495 20 0 HEADHN O=C(NCCCCCN1CCN(c2cccc(F)n2)CC1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001112642252 1080828322 /nfs/dbraw/zinc/82/83/22/1080828322.db2.gz GEZAFOIKTHLKRJ-ATOXUGOLSA-N 0 3 402.514 2.053 20 0 HEADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1 ZINC000786799598 1080833500 /nfs/dbraw/zinc/83/35/00/1080833500.db2.gz GMXQSVHURAEWHR-HUUCEWRRSA-N 0 3 423.562 2.226 20 0 HEADHN Cc1cccc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000768897550 1080837296 /nfs/dbraw/zinc/83/72/96/1080837296.db2.gz OEXXMCFUSWGVFI-PKTZIBPZSA-N 0 3 423.557 2.467 20 0 HEADHN CCNC(=O)c1cccc(NC(=O)COC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786818242 1080842520 /nfs/dbraw/zinc/84/25/20/1080842520.db2.gz ICDKOPJENWWENR-UHFFFAOYSA-N 0 3 409.486 2.366 20 0 HEADHN CO[C@H](CCNCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl)C(F)(F)F ZINC000786824231 1080846387 /nfs/dbraw/zinc/84/63/87/1080846387.db2.gz TXAXRPSGGMOMCW-ZYHUDNBSSA-N 0 3 403.854 2.262 20 0 HEADHN CO[C@H](CCNCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl)C(F)(F)F ZINC000786824221 1080846423 /nfs/dbraw/zinc/84/64/23/1080846423.db2.gz TXAXRPSGGMOMCW-CMPLNLGQSA-N 0 3 403.854 2.262 20 0 HEADHN NC(=O)COc1ccc(CN[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)cc1 ZINC000786842415 1080869040 /nfs/dbraw/zinc/86/90/40/1080869040.db2.gz ZRDQRWFXQFIYLK-IBGZPJMESA-N 0 3 403.429 2.110 20 0 HEADHN CC(C)OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1cnn(C)c1)C2 ZINC001109414996 1080896091 /nfs/dbraw/zinc/89/60/91/1080896091.db2.gz YBEKJCLOIXJEJP-MJCUULBUSA-N 0 3 404.555 2.424 20 0 HEADHN CC(C)OCCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1nccn1C)C2 ZINC001109415170 1080897793 /nfs/dbraw/zinc/89/77/93/1080897793.db2.gz HOOWNLPGHWMNQJ-SWBPCFCJSA-N 0 3 404.555 2.424 20 0 HEADHN CN(C)c1ccc(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)cn1 ZINC000769192124 1080968003 /nfs/dbraw/zinc/96/80/03/1080968003.db2.gz DDKAUTFUESJWDI-QGZVFWFLSA-N 0 3 405.543 2.001 20 0 HEADHN O=C(CCN1CC[C@@H](c2c(F)cccc2F)C1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000769228722 1081009303 /nfs/dbraw/zinc/00/93/03/1081009303.db2.gz PISMUYXTHYYFML-CQSZACIVSA-N 0 3 420.460 2.430 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000787225099 1081078297 /nfs/dbraw/zinc/07/82/97/1081078297.db2.gz AVNMPJMRABXPKM-SJORKVTESA-N 0 3 410.559 2.281 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1OC(C)C ZINC000787233218 1081082055 /nfs/dbraw/zinc/08/20/55/1081082055.db2.gz VIDAULLOVMGRRL-DLBZAZTESA-N 0 3 405.539 2.335 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)ccc1OC(C)C ZINC000787236088 1081083906 /nfs/dbraw/zinc/08/39/06/1081083906.db2.gz XQQNTLHDKHNGPG-IBGZPJMESA-N 0 3 405.539 2.335 20 0 HEADHN CN(Cc1cnc(N2CCN(C)CC2)nc1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000769563135 1081126462 /nfs/dbraw/zinc/12/64/62/1081126462.db2.gz QUPXBMACKCZLIJ-UHFFFAOYSA-N 0 3 406.575 2.211 20 0 HEADHN O=C1NCCN(C(F)(F)c2nc3cc(Cl)c(Cl)cc3nc2Cl)C12CNC2 ZINC001164412049 718878577 /nfs/dbraw/zinc/87/85/77/718878577.db2.gz TTZZABQPJXGCGR-UHFFFAOYSA-N 0 3 422.650 2.413 20 0 HEADHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2c1ccc(CN2CCCC2)cn1)N1CCCC1 ZINC001164711442 720085264 /nfs/dbraw/zinc/08/52/64/720085264.db2.gz MYOATRQNBCFTEI-MIZPHKNDSA-N 0 3 414.550 2.053 20 0 HEADHN c1nc2c(nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2N2CCOCC2)s1 ZINC001164729270 720361334 /nfs/dbraw/zinc/36/13/34/720361334.db2.gz XSKBGWDBTBDDHO-IRXDYDNUSA-N 0 3 423.546 2.171 20 0 HEADHN COc1cc2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OC ZINC001164737839 720708112 /nfs/dbraw/zinc/70/81/12/720708112.db2.gz HIRFFDCQKKBRDO-DLBZAZTESA-N 0 3 407.474 2.384 20 0 HEADHN COc1cc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2cc1OC ZINC001164743682 720722552 /nfs/dbraw/zinc/72/25/52/720722552.db2.gz XTKSHZZTJFHQKO-IAGOWNOFSA-N 0 3 407.474 2.384 20 0 HEADHN COC(=O)c1ccc2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ncc2c1 ZINC001164739912 720752821 /nfs/dbraw/zinc/75/28/21/720752821.db2.gz JSPTUAVEBHAXCV-RBUKOAKNSA-N 0 3 405.458 2.153 20 0 HEADHN Clc1nc2c(Cl)nccc2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737751 720755072 /nfs/dbraw/zinc/75/50/72/720755072.db2.gz CLRZBCBQAOXTGG-NWDGAFQWSA-N 0 3 418.288 2.464 20 0 HEADHN COc1ccc(-c2cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)ncn2)cc1 ZINC001164745239 720771401 /nfs/dbraw/zinc/77/14/01/720771401.db2.gz UCAOWFJZIZKECK-HKUYNNGSSA-N 0 3 404.474 2.284 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164751156 720789328 /nfs/dbraw/zinc/78/93/28/720789328.db2.gz XCRICPXBHHQHAW-HZPDHXFCSA-N 0 3 405.458 2.153 20 0 HEADHN COc1cc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc2c(OC)c1 ZINC001164742748 720801558 /nfs/dbraw/zinc/80/15/58/720801558.db2.gz DMFNJJWEUFADBL-DOTOQJQBSA-N 0 3 407.474 2.384 20 0 HEADHN O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164848024 720817697 /nfs/dbraw/zinc/81/76/97/720817697.db2.gz BMZUOGSLPDLLGX-WIOPSUGQSA-N 0 3 420.557 2.489 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)c1 ZINC001164759376 721022890 /nfs/dbraw/zinc/02/28/90/721022890.db2.gz MACLGMBFYRVHGI-HBMCJLEFSA-N 0 3 409.534 2.086 20 0 HEADHN COC(=O)c1cnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868014 721047044 /nfs/dbraw/zinc/04/70/44/721047044.db2.gz MAAYNIVIAVULMQ-JKSUJKDBSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncc1Cl ZINC001164866578 721053523 /nfs/dbraw/zinc/05/35/23/721053523.db2.gz FRXQLHQWXIOFIF-CVEARBPZSA-N 0 3 402.882 2.396 20 0 HEADHN c1cncc(CO[C@H]2C[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CCN3C2)c1 ZINC001164866816 721060059 /nfs/dbraw/zinc/06/00/59/721060059.db2.gz FXGUZNWPCULWCR-ROUUACIJSA-N 0 3 419.485 2.276 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ncc21 ZINC001164865899 721069964 /nfs/dbraw/zinc/06/99/64/721069964.db2.gz BLZZGUBBSQKHOW-MSOLQXFVSA-N 0 3 419.485 2.291 20 0 HEADHN CC(C)(C)NC(=O)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164865506 721090682 /nfs/dbraw/zinc/09/06/82/721090682.db2.gz MDLUCHZTWWHELF-PMACEKPBSA-N 0 3 409.534 2.485 20 0 HEADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865711 721101564 /nfs/dbraw/zinc/10/15/64/721101564.db2.gz OUQXCTFSIKLSBN-QZTJIDSGSA-N 0 3 412.490 2.142 20 0 HEADHN CC(C)(C)OC(=O)c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865527 721102242 /nfs/dbraw/zinc/10/22/42/721102242.db2.gz MLBWFKGZCYVDKI-QZTJIDSGSA-N 0 3 411.506 2.307 20 0 HEADHN CCOC(=O)c1cnc2cc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)[nH]cc1-2 ZINC001164766077 721188114 /nfs/dbraw/zinc/18/81/14/721188114.db2.gz IWMZGNGEPAWOEQ-IAGOWNOFSA-N 0 3 408.506 2.431 20 0 HEADHN O=C(N[C@H]1CCO[C@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1cnccn1 ZINC001164871726 721216149 /nfs/dbraw/zinc/21/61/49/721216149.db2.gz KZTFDQGHGNZXSG-WMZHIEFXSA-N 0 3 422.533 2.025 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164881631 721305197 /nfs/dbraw/zinc/30/51/97/721305197.db2.gz WZCSMLHQEYUMSD-FKBYEOEOSA-N 0 3 421.545 2.229 20 0 HEADHN COC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1OC ZINC001164901303 721517086 /nfs/dbraw/zinc/51/70/86/721517086.db2.gz WNZUEKYAHYKOHZ-DOTOQJQBSA-N 0 3 401.438 2.358 20 0 HEADHN COC(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1OC ZINC001164899172 721517343 /nfs/dbraw/zinc/51/73/43/721517343.db2.gz KQZKRJJVTYGNMD-DOTOQJQBSA-N 0 3 401.438 2.358 20 0 HEADHN COC(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1OC ZINC001164899175 721517371 /nfs/dbraw/zinc/51/73/71/721517371.db2.gz KQZKRJJVTYGNMD-NVXWUHKLSA-N 0 3 401.438 2.358 20 0 HEADHN COC(=O)c1nc2cnccc2c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905216 721540587 /nfs/dbraw/zinc/54/05/87/721540587.db2.gz GUUVAMCUHSJBHO-DOTOQJQBSA-N 0 3 423.448 2.292 20 0 HEADHN CON(C)C(=O)c1ccnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910337 721559942 /nfs/dbraw/zinc/55/99/42/721559942.db2.gz WHOQJAOQRMDUEY-IEBWSBKVSA-N 0 3 400.454 2.196 20 0 HEADHN COC(=O)c1c[nH]c2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164979752 722109284 /nfs/dbraw/zinc/10/92/84/722109284.db2.gz PSDFNQPBGDYXFG-FXAWDEMLSA-N 0 3 421.501 2.472 20 0 HEADHN O=c1cc2[nH]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164983091 722121704 /nfs/dbraw/zinc/12/17/04/722121704.db2.gz YDKZQOMDFLCXAY-KXBFYZLASA-N 0 3 413.909 2.352 20 0 HEADHN CC(C)c1nc(N(C)C)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979779 722126729 /nfs/dbraw/zinc/12/67/29/722126729.db2.gz PXLVEPZRPGRORV-RTBURBONSA-N 0 3 411.554 2.183 20 0 HEADHN CNC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ccc1Cl ZINC001164978338 722127283 /nfs/dbraw/zinc/12/72/83/722127283.db2.gz OKVGIOBYNBVBQN-SJLPKXTDSA-N 0 3 415.925 2.217 20 0 HEADHN CCOC(=O)c1ccc(N2CC(N[C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)C2)nc1 ZINC000766331402 1078492426 /nfs/dbraw/zinc/49/24/26/1078492426.db2.gz LWIHTXJDZVEXQF-SJORKVTESA-N 0 3 404.511 2.482 20 0 HEADHN C[C@@H]1CCN(CCNS(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000769662263 1078500900 /nfs/dbraw/zinc/50/09/00/1078500900.db2.gz XANICIQJBRBCKC-GOSISDBHSA-N 0 3 423.579 2.296 20 0 HEADHN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000745803814 1078653910 /nfs/dbraw/zinc/65/39/10/1078653910.db2.gz WMSWHNSWWBMPQK-UONOGXRCSA-N 0 3 413.421 2.021 20 0 HEADHN CC(C)N(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)CC1CCC1 ZINC000769927866 1078662143 /nfs/dbraw/zinc/66/21/43/1078662143.db2.gz PGFPHJHWHVOPRZ-QFIPXVFZSA-N 0 3 400.523 2.471 20 0 HEADHN C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl)CN1CCN(C)CC1 ZINC000745861700 1078677002 /nfs/dbraw/zinc/67/70/02/1078677002.db2.gz DQMNDYIXRLHYBJ-CXAGYDPISA-N 0 3 403.354 2.210 20 0 HEADHN Cc1cnccc1CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013126 1078735983 /nfs/dbraw/zinc/73/59/83/1078735983.db2.gz CKZCDFGXZOYKRP-IRXDYDNUSA-N 0 3 406.552 2.391 20 0 HEADHN CCN(Cc1ccccc1Br)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000746028260 1078742906 /nfs/dbraw/zinc/74/29/06/1078742906.db2.gz HGNUOLVMXNBSPP-UHFFFAOYSA-N 0 3 409.328 2.245 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nc4cc(C)ccc4[nH]3)cc2)CC1 ZINC000746043266 1078752316 /nfs/dbraw/zinc/75/23/16/1078752316.db2.gz FBUFSCAEPYZGHB-UHFFFAOYSA-N 0 3 420.517 2.268 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3nc4ccc(C)cc4[nH]3)cc2)CC1 ZINC000746043266 1078752319 /nfs/dbraw/zinc/75/23/19/1078752319.db2.gz FBUFSCAEPYZGHB-UHFFFAOYSA-N 0 3 420.517 2.268 20 0 HEADHN COC(=O)CC(C)(C)NCC(=O)Nc1ccc(I)cc1C ZINC000770188884 1078752623 /nfs/dbraw/zinc/75/26/23/1078752623.db2.gz NCSLEYRDIRPDSY-UHFFFAOYSA-N 0 3 404.248 2.469 20 0 HEADHN COc1ccc2c(C)c(CCC(=O)N[C@@H](C)CCN3CCN(C)CC3)c(=O)oc2c1 ZINC000770172096 1078767726 /nfs/dbraw/zinc/76/77/26/1078767726.db2.gz FWOUTCNOWPIBCB-INIZCTEOSA-N 0 3 415.534 2.185 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)CC1=O ZINC000746107869 1078788501 /nfs/dbraw/zinc/78/85/01/1078788501.db2.gz BLAPMAHPMHPQFC-GOSISDBHSA-N 0 3 424.549 2.410 20 0 HEADHN Cn1cc(C(=O)Nc2ccc(OC(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)cc2)cn1 ZINC000746210651 1078819527 /nfs/dbraw/zinc/81/95/27/1078819527.db2.gz SKDBBCCJMNKPKC-HSZRJFAPSA-N 0 3 420.469 2.215 20 0 HEADHN COc1cc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc(OC)c1OCC(N)=O ZINC000770319763 1078827693 /nfs/dbraw/zinc/82/76/93/1078827693.db2.gz BZBWIMYIEOXFBE-HOTGVXAUSA-N 0 3 404.463 2.249 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@H]1CCCN(Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000770337658 1078835977 /nfs/dbraw/zinc/83/59/77/1078835977.db2.gz TWZITQKTQVFOOM-UGKGYDQZSA-N 0 3 412.534 2.271 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000770350028 1078838197 /nfs/dbraw/zinc/83/81/97/1078838197.db2.gz JMCQEFGZUGOPRU-SFHVURJKSA-N 0 3 401.555 2.029 20 0 HEADHN Cc1c(C(=O)OCCN2CCCCC2)cc(Br)cc1S(N)(=O)=O ZINC000770391403 1078841227 /nfs/dbraw/zinc/84/12/27/1078841227.db2.gz LKUMSBCBHDJSKH-UHFFFAOYSA-N 0 3 405.314 2.048 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(Br)cc1F ZINC000770405284 1078843778 /nfs/dbraw/zinc/84/37/78/1078843778.db2.gz ZKLAYZCOKCJQCL-ZDUSSCGKSA-N 0 3 401.324 2.413 20 0 HEADHN COC(=O)N1CC(NC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000770430254 1078851528 /nfs/dbraw/zinc/85/15/28/1078851528.db2.gz KFEIVBKBRGLNCD-UHFFFAOYSA-N 0 3 402.417 2.229 20 0 HEADHN CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746358520 1078874413 /nfs/dbraw/zinc/87/44/13/1078874413.db2.gz CLRFTKVFOPLOSH-IFMALSPDSA-N 0 3 419.529 2.230 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 ZINC000766345914 1078875945 /nfs/dbraw/zinc/87/59/45/1078875945.db2.gz WCTMUTRXZQXFEA-ROJDOSBLSA-N 0 3 411.424 2.363 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000770595809 1078900809 /nfs/dbraw/zinc/90/08/09/1078900809.db2.gz OLWKKKWBCYTOSB-LAUBAEHRSA-N 0 3 406.546 2.307 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NCc2nc(-c3ccncc3)cs2)CC1 ZINC001687509878 1078917074 /nfs/dbraw/zinc/91/70/74/1078917074.db2.gz SOLHCLYROPUKLR-UHFFFAOYSA-N 0 3 402.568 2.420 20 0 HEADHN Cc1ccc([C@H](CNC(=O)NNC(=O)c2cc(Br)cn2C)N(C)C)cc1 ZINC000065466729 1078919148 /nfs/dbraw/zinc/91/91/48/1078919148.db2.gz YZZNFELTMNEIJS-INIZCTEOSA-N 0 3 422.327 2.343 20 0 HEADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000766367710 1078921999 /nfs/dbraw/zinc/92/19/99/1078921999.db2.gz YSDBASVSVYCYRF-OAHLLOKOSA-N 0 3 405.296 2.072 20 0 HEADHN O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000766364791 1078926930 /nfs/dbraw/zinc/92/69/30/1078926930.db2.gz IZJFGLOWHVRVJP-RTWAWAEBSA-N 0 3 415.534 2.235 20 0 HEADHN CCOC(=O)C1=C(CN[C@](C)(CO)C2CCCCC2)NC(=O)N[C@@H]1c1ccco1 ZINC000746469835 1079019174 /nfs/dbraw/zinc/01/91/74/1079019174.db2.gz DVAIFKNSZGFOGK-WIYYLYMNSA-N 0 3 405.495 2.372 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000770800500 1079022630 /nfs/dbraw/zinc/02/26/30/1079022630.db2.gz LEVFWYBPGWQPPY-CYBMUJFWSA-N 0 3 400.495 2.082 20 0 HEADHN NC(=O)C1(NCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1 ZINC000746474837 1079029183 /nfs/dbraw/zinc/02/91/83/1079029183.db2.gz CQSYHUFIXLOVQG-UHFFFAOYSA-N 0 3 420.557 2.308 20 0 HEADHN CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CCC1(C)C ZINC001168798609 1079039516 /nfs/dbraw/zinc/03/95/16/1079039516.db2.gz AWEMHUJARZYZQV-UHFFFAOYSA-N 0 3 406.486 2.434 20 0 HEADHN C[C@@H]1C[C@H](N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859359 1079055197 /nfs/dbraw/zinc/05/51/97/1079055197.db2.gz RRNRTFBYTSHNQK-AKHDSKFASA-N 0 3 417.554 2.402 20 0 HEADHN C[C@@H]1C[C@H](N2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168858768 1079055267 /nfs/dbraw/zinc/05/52/67/1079055267.db2.gz QZTHJKMLGPEPMT-DISONHOPSA-N 0 3 409.527 2.028 20 0 HEADHN C[C@H]1C[C@H](N2CC[C@@H]3CN(c4ncccn4)CCO[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168859362 1079055730 /nfs/dbraw/zinc/05/57/30/1079055730.db2.gz RRNRTFBYTSHNQK-ZSYWTGECSA-N 0 3 417.554 2.402 20 0 HEADHN C[C@H]1C[C@@H](N2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858424 1079054698 /nfs/dbraw/zinc/05/46/98/1079054698.db2.gz QFKVSOWVKIHMKO-DLBZAZTESA-N 0 3 400.527 2.384 20 0 HEADHN C[C@@H]1C[C@@H](N2CCc3ncc(Cn4cccn4)n3CC2)CN1C(=O)OC(C)(C)C ZINC001168858428 1079054837 /nfs/dbraw/zinc/05/48/37/1079054837.db2.gz QFKVSOWVKIHMKO-IAGOWNOFSA-N 0 3 400.527 2.384 20 0 HEADHN C[C@@H]1C[C@@H](N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168850003 1079061650 /nfs/dbraw/zinc/06/16/50/1079061650.db2.gz MUEJTHWTZNGWMO-LYYGHALDSA-N 0 3 407.555 2.486 20 0 HEADHN CC(C)(C)OC(=O)N1CCC([C@@H](O)CN2CCN(Cc3cccnc3)CC2)CC1 ZINC001168874327 1079065496 /nfs/dbraw/zinc/06/54/96/1079065496.db2.gz UQQDUHKPPRPJRM-FQEVSTJZSA-N 0 3 404.555 2.207 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(c4cc(C)nc(C)n4)CC3)CC2=O)cc1 ZINC001168938375 1079079775 /nfs/dbraw/zinc/07/97/75/1079079775.db2.gz BOQXFPVEBXWGPP-HXUWFJFHSA-N 0 3 409.534 2.415 20 0 HEADHN COC(=O)c1cn([C@H]2CCCN(CCCN(C(=O)OC(C)(C)C)C3CC3)C2)nn1 ZINC001168957672 1079091823 /nfs/dbraw/zinc/09/18/23/1079091823.db2.gz GJXXDFPCJOVTFS-INIZCTEOSA-N 0 3 407.515 2.491 20 0 HEADHN CN(Cc1cnn(-c2ccccc2)n1)C(=O)CCN1CCN(c2ccccc2)CC1 ZINC000746127202 1079084897 /nfs/dbraw/zinc/08/48/97/1079084897.db2.gz IVNJYDMYWAMDNQ-UHFFFAOYSA-N 0 3 404.518 2.438 20 0 HEADHN COC(=O)c1cc(COC(=O)C2CCN(c3ccccc3Br)C2=O)on1 ZINC000771015922 1079105426 /nfs/dbraw/zinc/10/54/26/1079105426.db2.gz BNTWSTLRDHQNSG-LLVKDONJSA-N 0 3 423.219 2.320 20 0 HEADHN Cc1sc(=O)n(CC(=O)NC2CCN([C@H]3CCOC3)CC2)c1-c1ccc(F)cc1 ZINC000771036693 1079111906 /nfs/dbraw/zinc/11/19/06/1079111906.db2.gz BQXBMQPVFHTAKH-SFHVURJKSA-N 0 3 419.522 2.394 20 0 HEADHN C[C@@H]1CN(c2ccc(NC(=O)NC(C)(C)CCN3CCN(C)CC3)cc2)CCO1 ZINC000771153797 1079165660 /nfs/dbraw/zinc/16/56/60/1079165660.db2.gz PGEYBXHUDUVUFF-GOSISDBHSA-N 0 3 403.571 2.449 20 0 HEADHN Cc1cc([C@@H]2CCCN2[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)no1 ZINC001169191363 1079179104 /nfs/dbraw/zinc/17/91/04/1079179104.db2.gz MPBNJKISQXDRJC-PBHICJAKSA-N 0 3 414.510 2.126 20 0 HEADHN COCCOC(=O)Nc1cccc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000771128039 1079183109 /nfs/dbraw/zinc/18/31/09/1079183109.db2.gz NYHQDJVXXSGMIF-INIZCTEOSA-N 0 3 407.515 2.029 20 0 HEADHN Cc1nc([C@@H](C)N[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169958 1079185424 /nfs/dbraw/zinc/18/54/24/1079185424.db2.gz QQEIWQYTEVGIPQ-CHWSQXEVSA-N 0 3 404.540 2.108 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CO1 ZINC001169386208 1079257643 /nfs/dbraw/zinc/25/76/43/1079257643.db2.gz LJRKSDDMMGIDDP-TYIUSFPZSA-N 0 3 406.523 2.302 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389890 1079259989 /nfs/dbraw/zinc/25/99/89/1079259989.db2.gz UBLCGOOKGUXZTD-XKGFGPFHSA-N 0 3 422.547 2.212 20 0 HEADHN COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2ccncc2-c2ccccc2)c1 ZINC001169445084 1079294890 /nfs/dbraw/zinc/29/48/90/1079294890.db2.gz NOGTWUDRTSXPTC-NRFANRHFSA-N 0 3 407.470 2.449 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@H](CO)C2)nc1NC[C@H](O)C(F)(F)F ZINC001169455153 1079298494 /nfs/dbraw/zinc/29/84/94/1079298494.db2.gz ZNOGIXCJVBIKDE-WFASDCNBSA-N 0 3 418.460 2.216 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000771351911 1079301474 /nfs/dbraw/zinc/30/14/74/1079301474.db2.gz ICTKKZXPKGRCSW-LJQANCHMSA-N 0 3 408.546 2.226 20 0 HEADHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001169528358 1079324049 /nfs/dbraw/zinc/32/40/49/1079324049.db2.gz VGDLWXHWBBXKPN-JXFKEZNVSA-N 0 3 401.532 2.116 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1=CCN(C)CC1 ZINC000771450422 1079329297 /nfs/dbraw/zinc/32/92/97/1079329297.db2.gz FOLKFHWAWZTLIM-YUNKPMOVSA-N 0 3 422.888 2.013 20 0 HEADHN CCOC(=O)C1(CNc2nccc(CN3CC[C@@H](CO)C3)c2C(OC)OC)CCC1 ZINC001169554496 1079330401 /nfs/dbraw/zinc/33/04/01/1079330401.db2.gz RATDRENYVNVMSC-MRXNPFEDSA-N 0 3 421.538 2.333 20 0 HEADHN CC(=O)N1CCC[C@H](N2CCOC[C@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)C1 ZINC001169605574 1079342590 /nfs/dbraw/zinc/34/25/90/1079342590.db2.gz LBGIJLYZYGWLRJ-NYVOZVTQSA-N 0 3 405.514 2.356 20 0 HEADHN CC(=O)N1CCC[C@H](N2CCOC[C@@]3(C[C@@H](CNc4cccc(F)c4)CO3)C2)C1 ZINC001169605578 1079342716 /nfs/dbraw/zinc/34/27/16/1079342716.db2.gz LBGIJLYZYGWLRJ-YUXAGFNASA-N 0 3 405.514 2.356 20 0 HEADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2CN(C)C)C1=O ZINC000771497311 1079359784 /nfs/dbraw/zinc/35/97/84/1079359784.db2.gz ZKIOWFHTUMLGRG-HSZRJFAPSA-N 0 3 424.501 2.471 20 0 HEADHN CN(C[C@@H](O)CN1CC[C@](C)(CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C ZINC001169687639 1079369205 /nfs/dbraw/zinc/36/92/05/1079369205.db2.gz UXQFWFLJNACIEK-FOIQADDNSA-N 0 3 401.548 2.451 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@H]32)CC1 ZINC001169692165 1079373404 /nfs/dbraw/zinc/37/34/04/1079373404.db2.gz HGGLSTXXLPYWKE-FCGDIQPGSA-N 0 3 404.511 2.346 20 0 HEADHN CCOC(=O)N1CCC[C@@H](N2CC[C@@](NC(=O)OC(C)(C)C)(C(=O)OC)C2)CC1 ZINC001169710197 1079381322 /nfs/dbraw/zinc/38/13/22/1079381322.db2.gz MSLSLPJJWFVJBY-QRWLVFNGSA-N 0 3 413.515 2.140 20 0 HEADHN CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)C2=O)cc1 ZINC000771657471 1079428566 /nfs/dbraw/zinc/42/85/66/1079428566.db2.gz NGTGYVHCBABKOR-RXVVDRJESA-N 0 3 400.567 2.305 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000771659145 1079429097 /nfs/dbraw/zinc/42/90/97/1079429097.db2.gz ZPUPSJWXWMJQGH-PKOBYXMFSA-N 0 3 404.555 2.395 20 0 HEADHN CC(C)[C@H]1CN(C)CCN1Cn1nc(N2CCOCC2)n(-c2ccccc2)c1=S ZINC000738284822 1075978861 /nfs/dbraw/zinc/97/88/61/1075978861.db2.gz DMALZDYBJBGAIT-LJQANCHMSA-N 0 3 416.595 2.469 20 0 HEADHN C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738306671 1075986916 /nfs/dbraw/zinc/98/69/16/1075986916.db2.gz XAJJQNPNLFGSOZ-TZIWHRDSSA-N 0 3 418.545 2.478 20 0 HEADHN CN(C)CCN(CC1CCCCC1)C(=O)NCCNS(=O)(=O)Cc1ccccc1 ZINC000738969794 1076028160 /nfs/dbraw/zinc/02/81/60/1076028160.db2.gz FATSMIRKFVEDBD-UHFFFAOYSA-N 0 3 424.611 2.260 20 0 HEADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739086294 1076042473 /nfs/dbraw/zinc/04/24/73/1076042473.db2.gz LFPSPRWFYVPLQE-MJGOQNOKSA-N 0 3 402.539 2.231 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@H](O)c2ccsc2)CC1 ZINC000740032974 1076097745 /nfs/dbraw/zinc/09/77/45/1076097745.db2.gz JNTQKKSYYRTIRY-FQEVSTJZSA-N 0 3 402.564 2.418 20 0 HEADHN COc1cc(OC)cc(-c2nn(CN3CCN(CC(C)(C)O)CC3)c(=S)o2)c1 ZINC000740758833 1076229317 /nfs/dbraw/zinc/22/93/17/1076229317.db2.gz FGNMLZPAWSBZJK-UHFFFAOYSA-N 0 3 408.524 2.236 20 0 HEADHN COc1cccc(NC(=O)c2ccccc2NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000740743176 1076230752 /nfs/dbraw/zinc/23/07/52/1076230752.db2.gz UYGFLRQGGZQEIH-INIZCTEOSA-N 0 3 424.501 2.296 20 0 HEADHN CC(C)OCCCN(C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000740856222 1076269329 /nfs/dbraw/zinc/26/93/29/1076269329.db2.gz BOIZQSDBQZIGOW-JOCHJYFZSA-N 0 3 402.539 2.277 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000740907048 1076287102 /nfs/dbraw/zinc/28/71/02/1076287102.db2.gz HYOJCFRZVPIOIN-FQEVSTJZSA-N 0 3 418.488 2.245 20 0 HEADHN CC[C@@H]1CN(C(=O)OCc2ccccc2)[C@H](CC)CN1CCCC(=O)NC(N)=O ZINC000740888076 1076288999 /nfs/dbraw/zinc/28/89/99/1076288999.db2.gz MLARARQLEMONJC-QZTJIDSGSA-N 0 3 404.511 2.473 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000766260307 1076318581 /nfs/dbraw/zinc/31/85/81/1076318581.db2.gz BLRGJTSLDNUWCF-AEFFLSMTSA-N 0 3 411.543 2.295 20 0 HEADHN CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000741071094 1076353387 /nfs/dbraw/zinc/35/33/87/1076353387.db2.gz QLUKOFCNGATSQQ-QZTJIDSGSA-N 0 3 410.540 2.213 20 0 HEADHN CCc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nnn1-c1ccc(OC(C)C)cc1 ZINC000741209278 1076404265 /nfs/dbraw/zinc/40/42/65/1076404265.db2.gz IXNVZICJOBXREX-PKOBYXMFSA-N 0 3 413.522 2.210 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000741221683 1076410383 /nfs/dbraw/zinc/41/03/83/1076410383.db2.gz BPAOGESFKQQBOE-VQIMIIECSA-N 0 3 414.424 2.232 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)CCO1 ZINC000741267042 1076436740 /nfs/dbraw/zinc/43/67/40/1076436740.db2.gz PYFWDPWEISWCIR-IAGOWNOFSA-N 0 3 409.552 2.495 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@H](O)c2ccc(C)o2)CC1 ZINC000741267895 1076437395 /nfs/dbraw/zinc/43/73/95/1076437395.db2.gz DGGAUHCWEXIOME-FQEVSTJZSA-N 0 3 400.523 2.258 20 0 HEADHN CC[C@H]1CN(CC(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCN1CC(F)F ZINC000766267846 1076450202 /nfs/dbraw/zinc/45/02/02/1076450202.db2.gz HXWREJJKAMVNLM-IBGZPJMESA-N 0 3 423.552 2.428 20 0 HEADHN C[C@@H](OC(=O)C1CCN(Cc2ccccc2)CC1)C(=O)NC(=O)NCC(F)(F)F ZINC000741330074 1076478670 /nfs/dbraw/zinc/47/86/70/1076478670.db2.gz OYYVEMJKSRQQEL-CYBMUJFWSA-N 0 3 415.412 2.218 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)Nc2ccc(CCN3CCSCC3)cc2)CCO1 ZINC000741393625 1076519701 /nfs/dbraw/zinc/51/97/01/1076519701.db2.gz RWCOPPPRMSILST-GOSISDBHSA-N 0 3 407.536 2.074 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3C[C@H](OC(C)C)C3(C)C)cc2)CC1 ZINC000766272875 1076561073 /nfs/dbraw/zinc/56/10/73/1076561073.db2.gz CGVRPUQGNCKECE-UXHICEINSA-N 0 3 416.566 2.475 20 0 HEADHN CN(C(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)[C@H]1CCCN(C)C1 ZINC000741719674 1076592565 /nfs/dbraw/zinc/59/25/65/1076592565.db2.gz NOSJWFVQPZJBNH-KRWDZBQOSA-N 0 3 412.515 2.414 20 0 HEADHN C[C@@H](NC(=O)OC(C)(C)C)C1CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000741786339 1076626821 /nfs/dbraw/zinc/62/68/21/1076626821.db2.gz VRIATEXCAKTIPK-OAHLLOKOSA-N 0 3 408.543 2.476 20 0 HEADHN CCOC(=O)N1CCN(C(=O)CN2CCC[C@@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000741800284 1076641126 /nfs/dbraw/zinc/64/11/26/1076641126.db2.gz UWZQHZMZULPKBU-IBGZPJMESA-N 0 3 403.523 2.250 20 0 HEADHN CC1N=NC(=S)N1CCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC000742182695 1076798021 /nfs/dbraw/zinc/79/80/21/1076798021.db2.gz LWVZNXJKBCTNOR-QGZVFWFLSA-N 0 3 413.469 2.446 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Oc2ccc(NC(=O)c3ccsc3)cc2)CC1=O ZINC000742251492 1076798635 /nfs/dbraw/zinc/79/86/35/1076798635.db2.gz CPPNIXRWRNHXPR-OAHLLOKOSA-N 0 3 401.488 2.316 20 0 HEADHN O=C(NCCCN1CCCCCC1)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000742241933 1076804317 /nfs/dbraw/zinc/80/43/17/1076804317.db2.gz XTWXNJFJCGJGDH-UHFFFAOYSA-N 0 3 424.498 2.179 20 0 HEADHN CN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000742250812 1076806430 /nfs/dbraw/zinc/80/64/30/1076806430.db2.gz KRPLGXHKKNYPHA-QGZVFWFLSA-N 0 3 414.579 2.022 20 0 HEADHN CCOC(=O)N1CCC(S(=O)(=O)NCC2CCN(Cc3ccccc3)CC2)CC1 ZINC000742282811 1076815268 /nfs/dbraw/zinc/81/52/68/1076815268.db2.gz SZDVIHZXGZJPJX-UHFFFAOYSA-N 0 3 423.579 2.439 20 0 HEADHN CCCCN(C)CCNS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742296418 1076821132 /nfs/dbraw/zinc/82/11/32/1076821132.db2.gz WYPITHNHFSFSJG-IBGZPJMESA-N 0 3 411.568 2.439 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742542419 1076850249 /nfs/dbraw/zinc/85/02/49/1076850249.db2.gz SBIVUVLFJTVHDE-QGZVFWFLSA-N 0 3 411.543 2.167 20 0 HEADHN C[C@@H]1NC(C(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)=NN(c2ccccc2)C1=O ZINC000742964001 1076911502 /nfs/dbraw/zinc/91/15/02/1076911502.db2.gz VMWMDOODJMTZMR-OALUTQOASA-N 0 3 419.529 2.448 20 0 HEADHN CC(C)[C@H](CNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)N1CCN(C)CC1 ZINC000743171375 1076987618 /nfs/dbraw/zinc/98/76/18/1076987618.db2.gz QPQANZJQOWBTIE-RXVVDRJESA-N 0 3 403.571 2.305 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccn(Cc2ccccn2)n1 ZINC000743172834 1076988036 /nfs/dbraw/zinc/98/80/36/1076988036.db2.gz YPIBRAIZWCHLHI-JOCHJYFZSA-N 0 3 406.490 2.085 20 0 HEADHN C[C@@H]1CN(c2ccc(NC(=O)N3CCN(CC4CCOCC4)CC3)cc2)CCO1 ZINC000743176828 1076990046 /nfs/dbraw/zinc/99/00/46/1076990046.db2.gz AZWKENHQUUGBAP-GOSISDBHSA-N 0 3 402.539 2.488 20 0 HEADHN O=C(CN1CCCC1)N1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 ZINC000743190906 1077002410 /nfs/dbraw/zinc/00/24/10/1077002410.db2.gz UZQVMWVKPJCNAG-UHFFFAOYSA-N 0 3 417.579 2.012 20 0 HEADHN CC(C)CN1CCO[C@H](CNc2ccnc(NC[C@@H]3CN(CC(C)C)CCO3)n2)C1 ZINC000743300810 1077022096 /nfs/dbraw/zinc/02/20/96/1077022096.db2.gz YFBLVBXTJJIRAY-WOJBJXKFSA-N 0 3 420.602 2.014 20 0 HEADHN Cc1c(C(=O)NC[C@H](C)CC2(C)OCCO2)nnn1-c1cccc2c1CCN(C)C2 ZINC000743488724 1077060075 /nfs/dbraw/zinc/06/00/75/1077060075.db2.gz HJZJAQQZXPIEFB-OAHLLOKOSA-N 0 3 413.522 2.083 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000743622591 1077076877 /nfs/dbraw/zinc/07/68/77/1077076877.db2.gz IXRKIZPUQVRMGF-OAQYLSRUSA-N 0 3 403.571 2.131 20 0 HEADHN CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000743594013 1077077441 /nfs/dbraw/zinc/07/74/41/1077077441.db2.gz LFSGBEINTIDSNL-PMACEKPBSA-N 0 3 401.555 2.193 20 0 HEADHN COCCN1CC[C@@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000743626544 1077082415 /nfs/dbraw/zinc/08/24/15/1077082415.db2.gz LJEZRSCYJSDKHR-QZTJIDSGSA-N 0 3 406.527 2.272 20 0 HEADHN Cc1nccn1CCCC(=O)N1CCN(C(=O)CCCn2ccnc2C)[C@H](C)C1 ZINC000743727879 1077097907 /nfs/dbraw/zinc/09/79/07/1077097907.db2.gz WFWNNXXPMNPTKW-QGZVFWFLSA-N 0 3 400.527 2.016 20 0 HEADHN CC(C)[C@@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)N1CCN(C)CC1 ZINC000743740156 1077098924 /nfs/dbraw/zinc/09/89/24/1077098924.db2.gz REISGGJXDTZOAN-OAHLLOKOSA-N 0 3 422.624 2.074 20 0 HEADHN O=C(OCCN1CCCCC1)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 ZINC000743812805 1077128444 /nfs/dbraw/zinc/12/84/44/1077128444.db2.gz WEUGYUMSSZDALU-UHFFFAOYSA-N 0 3 416.490 2.395 20 0 HEADHN CC(=O)NC1CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 ZINC000743843804 1077148972 /nfs/dbraw/zinc/14/89/72/1077148972.db2.gz WCFCFVYQGHZHDS-PMACEKPBSA-N 0 3 405.539 2.084 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](C)C1 ZINC000743885567 1077175127 /nfs/dbraw/zinc/17/51/27/1077175127.db2.gz WRIOGPPSYUQVBK-IAGOWNOFSA-N 0 3 404.580 2.415 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000743895565 1077206128 /nfs/dbraw/zinc/20/61/28/1077206128.db2.gz QNZCAODPHHBMFW-SFHVURJKSA-N 0 3 424.501 2.179 20 0 HEADHN Cc1c(NC(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cccc1N1CCOC1=O ZINC000743897701 1077208711 /nfs/dbraw/zinc/20/87/11/1077208711.db2.gz SAOCKNYATODSAW-HUUCEWRRSA-N 0 3 402.495 2.127 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NCCN1[C@H](C)CCC[C@@H]1C ZINC000743906570 1077219052 /nfs/dbraw/zinc/21/90/52/1077219052.db2.gz IVEFVJPOHROHHP-IYBDPMFKSA-N 0 3 402.495 2.269 20 0 HEADHN COC(=O)N(C)c1ccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cc1 ZINC000743924768 1077249272 /nfs/dbraw/zinc/24/92/72/1077249272.db2.gz TYKNBLNUUZEZJL-UHFFFAOYSA-N 0 3 424.501 2.043 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000743978702 1077291622 /nfs/dbraw/zinc/29/16/22/1077291622.db2.gz NGZYDCMDAPXFCH-QGZVFWFLSA-N 0 3 400.523 2.098 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1OCC1CCOCC1 ZINC000743979622 1077292685 /nfs/dbraw/zinc/29/26/85/1077292685.db2.gz UWNNGNIQILFVCR-QGZVFWFLSA-N 0 3 403.523 2.339 20 0 HEADHN COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)NCCN3CCC[C@H]3C)cc2)cc1 ZINC000743981393 1077294356 /nfs/dbraw/zinc/29/43/56/1077294356.db2.gz QJRFEMVZFWVOTH-MRXNPFEDSA-N 0 3 424.501 2.487 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(OCc2noc(C3CC3)n2)cc1 ZINC000743981823 1077295101 /nfs/dbraw/zinc/29/51/01/1077295101.db2.gz SLSFECDCAZVNFW-AWEZNQCLSA-N 0 3 413.478 2.065 20 0 HEADHN C[C@@H]1CC[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 ZINC000744429193 1077390711 /nfs/dbraw/zinc/39/07/11/1077390711.db2.gz RVIGJTFUROKRJZ-MFJAVSIHSA-N 0 3 405.564 2.252 20 0 HEADHN C[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 ZINC000744429191 1077390955 /nfs/dbraw/zinc/39/09/55/1077390955.db2.gz RVIGJTFUROKRJZ-FINFHUOPSA-N 0 3 405.564 2.252 20 0 HEADHN O=C(CN1C(=S)N=NC1c1cccs1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000745400335 1077818561 /nfs/dbraw/zinc/81/85/61/1077818561.db2.gz YLGGYQIPBDUNEM-CQSZACIVSA-N 0 3 407.565 2.009 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCOC[C@H]1C[C@H](O)c1cccs1)c1ccccc1 ZINC000771761863 1079516181 /nfs/dbraw/zinc/51/61/81/1079516181.db2.gz DZPSSMRQSQLETH-AQNXPRMDSA-N 0 3 417.575 2.292 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000767018840 1079593459 /nfs/dbraw/zinc/59/34/59/1079593459.db2.gz ADLOHTCPOYNABF-RTWAWAEBSA-N 0 3 414.550 2.102 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000767018841 1079593553 /nfs/dbraw/zinc/59/35/53/1079593553.db2.gz ADLOHTCPOYNABF-SFTDATJTSA-N 0 3 414.550 2.102 20 0 HEADHN O=C(Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1)N1CCSCC1 ZINC000771962143 1079608601 /nfs/dbraw/zinc/60/86/01/1079608601.db2.gz NSIDRCMCASJKBJ-CYBMUJFWSA-N 0 3 401.410 2.182 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000767036242 1079620447 /nfs/dbraw/zinc/62/04/47/1079620447.db2.gz GGGCJJXZPFECDY-MRXNPFEDSA-N 0 3 412.506 2.178 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C\NC[C@@H]3CN4CCN3CC4)C2=O)cc1 ZINC000746521637 1079663370 /nfs/dbraw/zinc/66/33/70/1079663370.db2.gz IZZOCENUZJLVMD-QTCOBDOFSA-N 0 3 402.498 2.112 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN(C)[C@@H]2CCSC2)CC1 ZINC000767115789 1079683515 /nfs/dbraw/zinc/68/35/15/1079683515.db2.gz KKQXRDKIMIUOHM-HXUWFJFHSA-N 0 3 419.591 2.010 20 0 HEADHN O=C1c2ccccc2/C(=C/NC[C@@H]2CN3CCN2CC3)C(=O)N1c1ccccc1Cl ZINC000746521363 1079684422 /nfs/dbraw/zinc/68/44/22/1079684422.db2.gz HZFQEBVZXBNWTG-BAACNHRGSA-N 0 3 422.916 2.457 20 0 HEADHN CCCCCCN(C)CC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000767148591 1079714574 /nfs/dbraw/zinc/71/45/74/1079714574.db2.gz IJCPWLKHAWYHOU-LEWJYISDSA-N 0 3 400.567 2.214 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000767195524 1079730570 /nfs/dbraw/zinc/73/05/70/1079730570.db2.gz JZVFFYQZHKZSKW-QGPMSJSTSA-N 0 3 401.960 2.499 20 0 HEADHN NC(=O)c1cc(OC2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)ccn1 ZINC000772352108 1079811734 /nfs/dbraw/zinc/81/17/34/1079811734.db2.gz TWRHYJRZADODJF-OAHLLOKOSA-N 0 3 405.882 2.117 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1c(F)cccc1F ZINC000767362288 1079829130 /nfs/dbraw/zinc/82/91/30/1079829130.db2.gz QZXUFJXQKPSLGY-UTKZUKDTSA-N 0 3 401.413 2.195 20 0 HEADHN C[C@H]1C[C@@H](NC(=O)NCCCCN2CCN(C)CC2)CCN1C(=O)OC(C)(C)C ZINC000772343121 1079832534 /nfs/dbraw/zinc/83/25/34/1079832534.db2.gz GUZCHNSXTAHGPV-ROUUACIJSA-N 0 3 411.591 2.101 20 0 HEADHN C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000767463275 1079865575 /nfs/dbraw/zinc/86/55/75/1079865575.db2.gz UXCGFGFQQIRSCZ-DYESRHJHSA-N 0 3 413.566 2.028 20 0 HEADHN CC[C@]1(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C ZINC000772633148 1079991529 /nfs/dbraw/zinc/99/15/29/1079991529.db2.gz PTALGESZMSAVPX-VGOFRKELSA-N 0 3 422.570 2.107 20 0 HEADHN O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000772645220 1080009894 /nfs/dbraw/zinc/00/98/94/1080009894.db2.gz OZKPXZPXAMWVFJ-KRWDZBQOSA-N 0 3 414.333 2.184 20 0 HEADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C)C[C@H]3[C@@H](C)O)CC2)c(F)c1 ZINC000785545047 1080051562 /nfs/dbraw/zinc/05/15/62/1080051562.db2.gz AQIXTMJSDZAULA-XPIZARPCSA-N 0 3 405.514 2.158 20 0 HEADHN CCO[C@@H]1CCCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170047708 1080059598 /nfs/dbraw/zinc/05/95/98/1080059598.db2.gz HBPAKGRNMZRTFT-BBWFWOEESA-N 0 3 413.584 2.398 20 0 HEADHN CCO[C@H]1CCCN([C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170047711 1080059655 /nfs/dbraw/zinc/05/96/55/1080059655.db2.gz HBPAKGRNMZRTFT-IKGGRYGDSA-N 0 3 413.584 2.398 20 0 HEADHN CC(C)(C)OC(=O)N[C@](C)(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000767773137 1080080800 /nfs/dbraw/zinc/08/08/00/1080080800.db2.gz BDMBMFGUJLZSDQ-SVMVAKDDSA-N 0 3 403.523 2.406 20 0 HEADHN CN(CCOC(C)(C)C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000767775539 1080082526 /nfs/dbraw/zinc/08/25/26/1080082526.db2.gz NHQTTWXPSVXYHO-JOCHJYFZSA-N 0 3 402.539 2.277 20 0 HEADHN O=C(CCN1CCN(CCCCO)CC1)Nc1ccc(Br)cc1F ZINC000746487800 1080084719 /nfs/dbraw/zinc/08/47/19/1080084719.db2.gz ADCCXXFCYWNMSA-UHFFFAOYSA-N 0 3 402.308 2.307 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000767781466 1080089133 /nfs/dbraw/zinc/08/91/33/1080089133.db2.gz YXLVNIDSJNIECS-QFIPXVFZSA-N 0 3 414.525 2.496 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2ccc(C)cc2OC)CC1=O ZINC000785646764 1080095582 /nfs/dbraw/zinc/09/55/82/1080095582.db2.gz IPFKZRFRFGKKJN-SJORKVTESA-N 0 3 402.491 2.062 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](Cc2ccc(F)cc2F)C(C)=O)CC1=O ZINC000785647557 1080097211 /nfs/dbraw/zinc/09/72/11/1080097211.db2.gz LEMWSDQKZNQJDP-ILZDJORESA-N 0 3 422.472 2.341 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)c(F)cc2F)CC1=O ZINC000785650013 1080098971 /nfs/dbraw/zinc/09/89/71/1080098971.db2.gz ACYGVHKYCPPTDE-HUUCEWRRSA-N 0 3 408.445 2.332 20 0 HEADHN COc1cc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)cc(OC)c1OCC(N)=O ZINC000785616911 1080117147 /nfs/dbraw/zinc/11/71/47/1080117147.db2.gz WOOCELYQWGXHHB-OAHLLOKOSA-N 0 3 412.845 2.184 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)Cc3ccccc3S(C)(=O)=O)cc2)CC1 ZINC000785706362 1080214488 /nfs/dbraw/zinc/21/44/88/1080214488.db2.gz UHWBVFMINGSHCN-UHFFFAOYSA-N 0 3 401.532 2.413 20 0 HEADHN C[C@@H](CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000767921541 1080216630 /nfs/dbraw/zinc/21/66/30/1080216630.db2.gz KAZUANGMJAZREM-MBSDFSHPSA-N 0 3 418.582 2.426 20 0 HEADHN CN(CC(F)(F)F)C(=O)COC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785708704 1080217564 /nfs/dbraw/zinc/21/75/64/1080217564.db2.gz DRHURDRMKXNLNO-UHFFFAOYSA-N 0 3 402.413 2.068 20 0 HEADHN NC(=O)[C@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)c1ccc(F)cc1 ZINC000785710502 1080217640 /nfs/dbraw/zinc/21/76/40/1080217640.db2.gz SIBZFNCQQXDBLL-HXUWFJFHSA-N 0 3 400.450 2.413 20 0 HEADHN O=C(OCCN1C(=O)COc2ccccc21)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785711267 1080219133 /nfs/dbraw/zinc/21/91/33/1080219133.db2.gz WSVCFSNLLMSCBN-UHFFFAOYSA-N 0 3 424.497 2.473 20 0 HEADHN CC(C)[C@@H](OC(=O)c1cccc(CN2CCCC2)c1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000785710829 1080219817 /nfs/dbraw/zinc/21/98/17/1080219817.db2.gz ZJKANIDWOAZGNY-VQTJNVASSA-N 0 3 415.534 2.188 20 0 HEADHN CN(Cc1ccco1)C(=O)COC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785712163 1080220239 /nfs/dbraw/zinc/22/02/39/1080220239.db2.gz QPVYMSUPQZFSQD-UHFFFAOYSA-N 0 3 400.475 2.299 20 0 HEADHN CCN(CCn1cccn1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170049868 1080231544 /nfs/dbraw/zinc/23/15/44/1080231544.db2.gz GEKWEFSJMSZYTE-IRXDYDNUSA-N 0 3 423.583 2.116 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C[C@@H](c1ccccc1)N1CCOC1=O ZINC000785814688 1080255572 /nfs/dbraw/zinc/25/55/72/1080255572.db2.gz DPCKPILWRJDPIQ-PXNSSMCTSA-N 0 3 401.507 2.282 20 0 HEADHN COCC[S@](=O)Cc1cccc(NC(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 ZINC000785816399 1080255948 /nfs/dbraw/zinc/25/59/48/1080255948.db2.gz ONIFKRLUMXSZMC-ADKRDUOOSA-N 0 3 423.579 2.299 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)[C@]3(O)CCc4ccccc4C3)cc2)CC1 ZINC000785860930 1080286519 /nfs/dbraw/zinc/28/65/19/1080286519.db2.gz ZILMHVWKHDOJCX-VWLOTQADSA-N 0 3 407.558 2.360 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000785871505 1080291328 /nfs/dbraw/zinc/29/13/28/1080291328.db2.gz JMHZHXMIFJKQBG-BHIFYINESA-N 0 3 422.529 2.399 20 0 HEADHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)N(C)C ZINC000786026215 1080340662 /nfs/dbraw/zinc/34/06/62/1080340662.db2.gz SQOVMXPNKCWVKZ-OXQOHEQNSA-N 0 3 406.490 2.322 20 0 HEADHN COC(=O)c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(CC[NH+](C)C)cc2)c1F ZINC000786126599 1080444261 /nfs/dbraw/zinc/44/42/61/1080444261.db2.gz QLEGDYGIHZNLRH-UHFFFAOYSA-N 0 3 412.458 2.334 20 0 HEADHN COc1ccc(C(=O)Nc2cccc(CN3CCC(C(=O)NCCO)CC3)c2)cc1 ZINC000768315234 1080503466 /nfs/dbraw/zinc/50/34/66/1080503466.db2.gz BMGTUGAKDNUMTL-UHFFFAOYSA-N 0 3 411.502 2.268 20 0 HEADHN C[C@@H]1C[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC000768398286 1080524314 /nfs/dbraw/zinc/52/43/14/1080524314.db2.gz MQFDSXARYRXJBD-IEBWSBKVSA-N 0 3 420.554 2.178 20 0 HEADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394903 1080584924 /nfs/dbraw/zinc/58/49/24/1080584924.db2.gz YAZDSSCMLDEQMC-QGZVFWFLSA-N 0 3 424.586 2.321 20 0 HEADHN O=C(COC(=O)CCN1CCc2ccccc2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000786818294 1080842493 /nfs/dbraw/zinc/84/24/93/1080842493.db2.gz RPSMKHVEEHZACX-UHFFFAOYSA-N 0 3 423.513 2.453 20 0 HEADHN CN(C)C(=O)c1ccc(NC(=O)COC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000786825480 1080846332 /nfs/dbraw/zinc/84/63/32/1080846332.db2.gz LSAHHTUWHZWLEJ-UHFFFAOYSA-N 0 3 409.486 2.319 20 0 HEADHN Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2ccc(N3CCNC3=O)cc2)s1 ZINC000786869500 1080861546 /nfs/dbraw/zinc/86/15/46/1080861546.db2.gz HDFCQGVLEMJEAK-CQSZACIVSA-N 0 3 408.549 2.215 20 0 HEADHN CCN1CCN([C@H](C)CNS(=O)(=O)/C=C/c2cccc(Br)c2)CC1 ZINC000786869683 1080862780 /nfs/dbraw/zinc/86/27/80/1080862780.db2.gz ZBVVVPZVAVJYFS-CUXKMMBLSA-N 0 3 416.385 2.365 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(C)(C)c3ccncc3)cc2)CC1 ZINC000768989842 1080877691 /nfs/dbraw/zinc/87/76/91/1080877691.db2.gz CBDDIQPBPFAQLT-UHFFFAOYSA-N 0 3 409.534 2.256 20 0 HEADHN CCOC(=O)c1ccc(N2CC(N[C@@H](C)c3ccc(N4CCNC4=O)cc3)C2)nc1 ZINC000786907042 1080878139 /nfs/dbraw/zinc/87/81/39/1080878139.db2.gz GPNSXGBCYXSYAE-HNNXBMFYSA-N 0 3 409.490 2.327 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000769024410 1080887966 /nfs/dbraw/zinc/88/79/66/1080887966.db2.gz FMDIVDFSBMGPDX-UHFFFAOYSA-N 0 3 410.493 2.491 20 0 HEADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000769240979 1081012944 /nfs/dbraw/zinc/01/29/44/1081012944.db2.gz OMERLCJIHNHCCD-GOSISDBHSA-N 0 3 421.567 2.206 20 0 HEADHN Cc1c(C(=O)Oc2ccc3c(c2)CN(C)C3=O)nnn1-c1cccc2c1CCN(C)C2 ZINC000769283265 1081031243 /nfs/dbraw/zinc/03/12/43/1081031243.db2.gz CUVDDZNQMZMOIC-UHFFFAOYSA-N 0 3 417.469 2.368 20 0 HEADHN CC(C)n1ncc2cc(CN3CCN(C(=O)CN4CCCC4)CC3)c(Cl)nc21 ZINC000769316739 1081040276 /nfs/dbraw/zinc/04/02/76/1081040276.db2.gz OEWGBLFYSNPOKQ-UHFFFAOYSA-N 0 3 404.946 2.406 20 0 HEADHN CCCN(Cc1cnc(N2CCN(C)CC2)nc1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331624 1081044826 /nfs/dbraw/zinc/04/48/26/1081044826.db2.gz USFKOKHHGVXEIK-IBGZPJMESA-N 0 3 418.586 2.450 20 0 HEADHN CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 ZINC000769372825 1081056016 /nfs/dbraw/zinc/05/60/16/1081056016.db2.gz ITUINLQLPNTMMB-QGZVFWFLSA-N 0 3 409.477 2.332 20 0 HEADHN C[C@@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC000769375820 1081056949 /nfs/dbraw/zinc/05/69/49/1081056949.db2.gz UHNBEUXEHKNHMQ-CVEARBPZSA-N 0 3 411.493 2.482 20 0 HEADHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2OCCN2CCOCC2)C1 ZINC000769383608 1081059112 /nfs/dbraw/zinc/05/91/12/1081059112.db2.gz KBJBAGIEFHZJAC-IBGZPJMESA-N 0 3 405.539 2.497 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000787208966 1081062383 /nfs/dbraw/zinc/06/23/83/1081062383.db2.gz QZZXWDZRGCOANK-WMZOPIPTSA-N 0 3 410.559 2.281 20 0 HEADHN CC(C)n1ncc2cc(CN3CCN(C(=O)[C@H]4CCCN4C)CC3)c(Cl)nc21 ZINC000769532004 1081112539 /nfs/dbraw/zinc/11/25/39/1081112539.db2.gz IEOCMZJSNMGKOF-QGZVFWFLSA-N 0 3 404.946 2.404 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nccc(-c3ccc(N(C)C)cc3)n1)CC2 ZINC001164686748 719733750 /nfs/dbraw/zinc/73/37/50/719733750.db2.gz QYWIWHRGXJDUPA-UHFFFAOYSA-N 0 3 408.550 2.390 20 0 HEADHN CC(C)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3S(C)(=O)=O)CC[C@@H]21 ZINC001164834427 720524962 /nfs/dbraw/zinc/52/49/62/720524962.db2.gz GIUCVTWBMIGNCF-BZSNNMDCSA-N 0 3 403.552 2.059 20 0 HEADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739037 720737017 /nfs/dbraw/zinc/73/70/17/720737017.db2.gz HXCQBLXJHSFGLT-ZIAGYGMSSA-N 0 3 414.901 2.193 20 0 HEADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)C1 ZINC001164744175 720758447 /nfs/dbraw/zinc/75/84/47/720758447.db2.gz RJPCPALNXHMETL-MISYRCLQSA-N 0 3 422.533 2.086 20 0 HEADHN Cc1nc(-c2ccccn2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C ZINC001164749901 720787092 /nfs/dbraw/zinc/78/70/92/720787092.db2.gz USRBTRMVZNLIEO-MSOLQXFVSA-N 0 3 403.490 2.287 20 0 HEADHN CN(Cc1ccc(N2C[C@H]3COC[C@]3(C(=O)NCCc3ccccc3)C2)nc1)C1CC1 ZINC001164849316 720817087 /nfs/dbraw/zinc/81/70/87/720817087.db2.gz FLCDFXCFGKYLTD-SQJMNOBHSA-N 0 3 420.557 2.488 20 0 HEADHN O=C(NCCc1ccccc1)[C@@]12COC[C@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164851480 720817319 /nfs/dbraw/zinc/81/73/19/720817319.db2.gz LMKTTXXHUADGAK-RDGATRHJSA-N 0 3 420.557 2.489 20 0 HEADHN O=C(NCCc1ccccc1)[C@@]12COC[C@@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164848017 720817591 /nfs/dbraw/zinc/81/75/91/720817591.db2.gz BMZUOGSLPDLLGX-DHLKQENFSA-N 0 3 420.557 2.489 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@H]3C2)c1 ZINC001164759378 721022811 /nfs/dbraw/zinc/02/28/11/721022811.db2.gz MACLGMBFYRVHGI-NJYVYQBISA-N 0 3 409.534 2.086 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164869113 721051467 /nfs/dbraw/zinc/05/14/67/721051467.db2.gz RPXDSNRMWIEYQB-IAGOWNOFSA-N 0 3 402.882 2.396 20 0 HEADHN CCOC(=O)c1cc(F)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870579 721058699 /nfs/dbraw/zinc/05/86/99/721058699.db2.gz WIIAWICTISPORC-ZWKOTPCHSA-N 0 3 400.454 2.272 20 0 HEADHN O=C(N[C@H]1CCO[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1cnccn1 ZINC001164870161 721215374 /nfs/dbraw/zinc/21/53/74/721215374.db2.gz FZHSGYPEMVVADQ-WMZHIEFXSA-N 0 3 422.533 2.025 20 0 HEADHN O=C(N[C@@H]1CCO[C@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1cnccn1 ZINC001164871720 721215719 /nfs/dbraw/zinc/21/57/19/721215719.db2.gz KZTFDQGHGNZXSG-AUSIDOKSSA-N 0 3 422.533 2.025 20 0 HEADHN COc1cc(OC)c2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164760187 721241687 /nfs/dbraw/zinc/24/16/87/721241687.db2.gz CZBCRGMPTAWPPD-DLBZAZTESA-N 0 3 408.506 2.339 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164881630 721305048 /nfs/dbraw/zinc/30/50/48/721305048.db2.gz WZCSMLHQEYUMSD-BDTNDASRSA-N 0 3 421.545 2.229 20 0 HEADHN COc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164888539 721378815 /nfs/dbraw/zinc/37/88/15/721378815.db2.gz JZGOSPVYFFVWRL-XMSQKQJNSA-N 0 3 418.586 2.071 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccnc(N5CCCCC5)n4)C3)O2)CC1 ZINC001164888785 721432166 /nfs/dbraw/zinc/43/21/66/721432166.db2.gz AVVWDOZLRKJZHD-OFNKIYASSA-N 0 3 414.598 2.232 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)c1 ZINC001164896966 721479370 /nfs/dbraw/zinc/47/93/70/721479370.db2.gz YTEQIALCTCZXKS-GGPKGHCWSA-N 0 3 404.530 2.193 20 0 HEADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900144 721526315 /nfs/dbraw/zinc/52/63/15/721526315.db2.gz OPBGXXCJRUZACM-GDBMZVCRSA-N 0 3 420.872 2.327 20 0 HEADHN CN(Cc1ccc(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)nc1)C1CC1 ZINC001164914967 721796396 /nfs/dbraw/zinc/79/63/96/721796396.db2.gz SGWZBYRZMLCAFS-XMMPIXPASA-N 0 3 423.561 2.179 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164953828 722001748 /nfs/dbraw/zinc/00/17/48/722001748.db2.gz ZWZFNUPQZXBNOV-HQRMLTQVSA-N 0 3 413.547 2.299 20 0 HEADHN CC(C)C(=O)N1CCN(c2ccc(CN(C)C3CC3)cn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164971940 722088600 /nfs/dbraw/zinc/08/86/00/722088600.db2.gz JUBIKRMWSWAFLY-QHCPKHFHSA-N 0 3 413.566 2.019 20 0 HEADHN CCOC(=O)Cc1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164985289 722104825 /nfs/dbraw/zinc/10/48/25/722104825.db2.gz WEVGMSOPVAFJHE-NHCUHLMSSA-N 0 3 410.518 2.310 20 0 HEADHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(SC)n1 ZINC001164981160 722117483 /nfs/dbraw/zinc/11/74/83/722117483.db2.gz TZFRMHGSINKZMG-IAGOWNOFSA-N 0 3 401.536 2.329 20 0 HEADHN C[C@@H]1CC(=O)Nc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164975606 722120890 /nfs/dbraw/zinc/12/08/90/722120890.db2.gz JZASBJGFCDKGLM-NJAFHUGGSA-N 0 3 408.506 2.045 20 0 HEADHN COC(=O)c1cc2c[nH]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)cc-2n1 ZINC001164980277 722134897 /nfs/dbraw/zinc/13/48/97/722134897.db2.gz MKPOZQCXGRTHOB-LAUBAEHRSA-N 0 3 421.501 2.472 20 0 HEADHN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N(C)C)nc(C)n4)CC[C@@H]32)cs1 ZINC001164991609 722175988 /nfs/dbraw/zinc/17/59/88/722175988.db2.gz YLHKJKCSONQZPT-ZWKOTPCHSA-N 0 3 402.568 2.486 20 0 HEADHN COc1ccccc1COC1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000769713119 1078532496 /nfs/dbraw/zinc/53/24/96/1078532496.db2.gz VRWAKLRKCMUWAZ-AZUAARDMSA-N 0 3 403.523 2.249 20 0 HEADHN CCC[C@]1(CO)CCCN1CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000769914285 1078632635 /nfs/dbraw/zinc/63/26/35/1078632635.db2.gz YIAIICAIMCEWKK-SIKLNZKXSA-N 0 3 401.507 2.485 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCCCC2=O)cc1 ZINC000745744827 1078633117 /nfs/dbraw/zinc/63/31/17/1078633117.db2.gz XLORRFRMEOSPNW-FQEVSTJZSA-N 0 3 402.539 2.456 20 0 HEADHN C[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000745781130 1078640246 /nfs/dbraw/zinc/64/02/46/1078640246.db2.gz WSLJEPXEKVMUOL-ZWKOTPCHSA-N 0 3 401.555 2.057 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2)cc1 ZINC000745796497 1078651079 /nfs/dbraw/zinc/65/10/79/1078651079.db2.gz TZLHJTRPWKOJSV-TZIWHRDSSA-N 0 3 415.582 2.206 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCCCN2CCc3ccccc3C2)C1 ZINC000769967430 1078657754 /nfs/dbraw/zinc/65/77/54/1078657754.db2.gz BSDCBOQRSAIGTO-RTWAWAEBSA-N 0 3 411.550 2.324 20 0 HEADHN Cc1ccc(N2CC[C@H](NC(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)C2=O)cc1 ZINC000745858864 1078675891 /nfs/dbraw/zinc/67/58/91/1078675891.db2.gz MWWCUQUNWUDXBS-XUZZJYLKSA-N 0 3 422.529 2.037 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861610 1078676371 /nfs/dbraw/zinc/67/63/71/1078676371.db2.gz CTZPPTLPPCHLNY-QAPCUYQASA-N 0 3 416.488 2.312 20 0 HEADHN C[C@H](CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)CN1CCN(C)CC1 ZINC000745862734 1078677544 /nfs/dbraw/zinc/67/75/44/1078677544.db2.gz NVQBYAKOEBJQHP-CXAGYDPISA-N 0 3 403.354 2.210 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000745862931 1078678167 /nfs/dbraw/zinc/67/81/67/1078678167.db2.gz QGSSEEXQMRIKKC-UGKGYDQZSA-N 0 3 402.583 2.415 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000745862929 1078678285 /nfs/dbraw/zinc/67/82/85/1078678285.db2.gz QGSSEEXQMRIKKC-SIKLNZKXSA-N 0 3 402.583 2.415 20 0 HEADHN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1 ZINC000770047391 1078703405 /nfs/dbraw/zinc/70/34/05/1078703405.db2.gz JDEQDNYCMPXAMI-HNAYVOBHSA-N 0 3 405.520 2.290 20 0 HEADHN CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1 ZINC000770047393 1078703532 /nfs/dbraw/zinc/70/35/32/1078703532.db2.gz JDEQDNYCMPXAMI-KXBFYZLASA-N 0 3 405.520 2.290 20 0 HEADHN CC(=O)Nc1ccc(OC[C@@H](O)CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745944127 1078708423 /nfs/dbraw/zinc/70/84/23/1078708423.db2.gz PGRKNRMSCAOCCB-ROUUACIJSA-N 0 3 407.511 2.326 20 0 HEADHN C[C@@]1(C(=O)NCc2ccccc2CN2CCC(O)CC2)Cc2ccccc2C(=O)O1 ZINC000746011876 1078732085 /nfs/dbraw/zinc/73/20/85/1078732085.db2.gz QUJYOCUJQVZJKF-DEOSSOPVSA-N 0 3 408.498 2.431 20 0 HEADHN Cc1sc(=O)n(CC(=O)N[C@H](C)CCN2CCN(C)CC2)c1-c1ccc(F)cc1 ZINC000770174397 1078769908 /nfs/dbraw/zinc/76/99/08/1078769908.db2.gz SWGVYGGRVHYLLI-OAHLLOKOSA-N 0 3 420.554 2.167 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000770175373 1078770405 /nfs/dbraw/zinc/77/04/05/1078770405.db2.gz XGDJCAPFVLWJOD-PZJWPPBQSA-N 0 3 416.566 2.177 20 0 HEADHN CCOC(=O)N(C)C1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000746202933 1078817383 /nfs/dbraw/zinc/81/73/83/1078817383.db2.gz XQBYQYWFZZYUMM-UHFFFAOYSA-N 0 3 402.539 2.278 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)N3CCN(C(=O)OCC(C)C)CC3)CC2)c1 ZINC000746190209 1078820411 /nfs/dbraw/zinc/82/04/11/1078820411.db2.gz INBUYROHZZPLII-UHFFFAOYSA-N 0 3 416.566 2.444 20 0 HEADHN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746219044 1078824606 /nfs/dbraw/zinc/82/46/06/1078824606.db2.gz IISFQTTYHKPLCN-RTBURBONSA-N 0 3 405.539 2.071 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NCC3N=NC(=S)N3C(C)C)CC2)c1 ZINC000746238969 1078829022 /nfs/dbraw/zinc/82/90/22/1078829022.db2.gz XAGJVRBKHVTJLY-UHFFFAOYSA-N 0 3 402.568 2.285 20 0 HEADHN Cc1nn(C)cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770384405 1078835370 /nfs/dbraw/zinc/83/53/70/1078835370.db2.gz RMYNLBYRJPEKGF-HKUYNNGSSA-N 0 3 419.570 2.456 20 0 HEADHN Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC000770345508 1078837411 /nfs/dbraw/zinc/83/74/11/1078837411.db2.gz NZDVXXASGJFFOU-MSOLQXFVSA-N 0 3 421.611 2.237 20 0 HEADHN CN(C[C@@H]1CCCCO1)CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746505257 1078848472 /nfs/dbraw/zinc/84/84/72/1078848472.db2.gz GAGQMMMQGGUYKQ-UGKGYDQZSA-N 0 3 400.523 2.031 20 0 HEADHN CCOC1CCN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC1 ZINC000746505057 1078848568 /nfs/dbraw/zinc/84/85/68/1078848568.db2.gz CEGYHVQQKVCJRK-JOCHJYFZSA-N 0 3 400.523 2.031 20 0 HEADHN CCNC(=O)COc1ccc(CN2CCC[C@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000770387391 1078849812 /nfs/dbraw/zinc/84/98/12/1078849812.db2.gz PSQOCCFLXMCSPM-OALUTQOASA-N 0 3 416.522 2.032 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000766345305 1078879304 /nfs/dbraw/zinc/87/93/04/1078879304.db2.gz PIIJUXJCMBLXIE-GOSISDBHSA-N 0 3 416.522 2.412 20 0 HEADHN CN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)CC1CCCC1 ZINC000746387886 1078890596 /nfs/dbraw/zinc/89/05/96/1078890596.db2.gz WFQHGFJINJSTHX-BOPFTXTBSA-N 0 3 402.520 2.356 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766347549 1078891071 /nfs/dbraw/zinc/89/10/71/1078891071.db2.gz ODFSJWZZGWCDEG-TZIWHRDSSA-N 0 3 416.566 2.177 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N(C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000770588273 1078898297 /nfs/dbraw/zinc/89/82/97/1078898297.db2.gz OAMLGRQIZHXJJA-QGZVFWFLSA-N 0 3 413.607 2.205 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000770592729 1078900426 /nfs/dbraw/zinc/90/04/26/1078900426.db2.gz WRWPTEMNBQKFQF-QGZVFWFLSA-N 0 3 411.591 2.053 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000770594065 1078900489 /nfs/dbraw/zinc/90/04/89/1078900489.db2.gz IGUNUQIADYKNNZ-PBHICJAKSA-N 0 3 402.461 2.064 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000770604516 1078913045 /nfs/dbraw/zinc/91/30/45/1078913045.db2.gz JPUAMLHLLONIJM-SQNIBIBYSA-N 0 3 411.591 2.052 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766378226 1078927947 /nfs/dbraw/zinc/92/79/47/1078927947.db2.gz QFHLQAYSKROCQC-VQTJNVASSA-N 0 3 403.523 2.262 20 0 HEADHN C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(C)(C)CN(C)C ZINC000770692420 1078960237 /nfs/dbraw/zinc/96/02/37/1078960237.db2.gz KNOGVKNFVRYRMX-VIFPVBQESA-N 0 3 402.991 2.060 20 0 HEADHN COC(=O)C[C@]1(NCC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CCCOC1 ZINC000770701733 1078970146 /nfs/dbraw/zinc/97/01/46/1078970146.db2.gz SGOPGGBXQGUMOK-QGZVFWFLSA-N 0 3 414.384 2.222 20 0 HEADHN O=C1CNC(=O)N1CCN(Cc1ccccc1)C[C@@H](O)c1cccc(OC(F)F)c1 ZINC000770706764 1078975733 /nfs/dbraw/zinc/97/57/33/1078975733.db2.gz ASSAOGDUBDVFQI-GOSISDBHSA-N 0 3 419.428 2.375 20 0 HEADHN O=C1CNC(=O)N1CCN(Cc1ccccc1)C[C@H](O)c1cccc(OC(F)F)c1 ZINC000770706767 1078975811 /nfs/dbraw/zinc/97/58/11/1078975811.db2.gz ASSAOGDUBDVFQI-SFHVURJKSA-N 0 3 419.428 2.375 20 0 HEADHN COC(=O)Cn1cc(CCN2CCC([C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)nn1 ZINC000746449970 1078991316 /nfs/dbraw/zinc/99/13/16/1078991316.db2.gz NUVUYVLOTOFZAX-SFHVURJKSA-N 0 3 421.542 2.105 20 0 HEADHN CCCCN(C)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000770800455 1079022694 /nfs/dbraw/zinc/02/26/94/1079022694.db2.gz JOCYCSVDNHQBNY-GOSISDBHSA-N 0 3 403.571 2.004 20 0 HEADHN O=S(=O)(c1ccc(OCCNCc2cnc3cnccn23)cc1)C(F)(F)F ZINC000766490031 1079029087 /nfs/dbraw/zinc/02/90/87/1079029087.db2.gz YJXXEEYQKMBWAW-UHFFFAOYSA-N 0 3 400.382 2.191 20 0 HEADHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@H](CO)C[C@@H](O)c1ccccc1 ZINC000770849229 1079037518 /nfs/dbraw/zinc/03/75/18/1079037518.db2.gz HFDLEUPJRONOHS-JTHBVZDNSA-N 0 3 411.546 2.190 20 0 HEADHN COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC3(CCCC3)C2)c1 ZINC000804293896 1079055587 /nfs/dbraw/zinc/05/55/87/1079055587.db2.gz PHBQIRILZNCQRG-UHFFFAOYSA-N 0 3 417.550 2.053 20 0 HEADHN C[C@H]1C[C@@H](N2C[C@@H](NC(=O)C3CC3)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168854576 1079053598 /nfs/dbraw/zinc/05/35/98/1079053598.db2.gz HKOHFDUZWYWWPM-NLNMYJFZSA-N 0 3 407.555 2.390 20 0 HEADHN COc1cc([C@H](C)NCCN2CCC(OC)CC2)ccc1S(=O)(=O)C(F)F ZINC000766514038 1079053609 /nfs/dbraw/zinc/05/36/09/1079053609.db2.gz DEYZINITFNQLHX-ZDUSSCGKSA-N 0 3 406.495 2.453 20 0 HEADHN C[C@H]1C[C@H](N2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)CN1C(=O)OC(C)(C)C ZINC001168869812 1079059365 /nfs/dbraw/zinc/05/93/65/1079059365.db2.gz XWJNSVMERCNYQY-GRXQJBFDSA-N 0 3 410.559 2.279 20 0 HEADHN C[C@H]1C[C@@H](N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168850000 1079061631 /nfs/dbraw/zinc/06/16/31/1079061631.db2.gz MUEJTHWTZNGWMO-IPLXSBJHSA-N 0 3 407.555 2.486 20 0 HEADHN COc1ccc(CN2CC[C@@H](NCC(=O)NCc3cccc(OC)c3)CC2=O)cc1 ZINC001168916934 1079075173 /nfs/dbraw/zinc/07/51/73/1079075173.db2.gz VRKNQEDVNYJYLL-LJQANCHMSA-N 0 3 411.502 2.101 20 0 HEADHN O=C(Cc1noc([C@@]2(O)CCN(Cc3ccccc3)C2)n1)NCCc1ccccc1 ZINC000770980850 1079094218 /nfs/dbraw/zinc/09/42/18/1079094218.db2.gz HFSFPKZIAKVELU-HSZRJFAPSA-N 0 3 406.486 2.065 20 0 HEADHN CC(C)(C)OC(=O)NCc1nc(C(=O)NC2CCN([C@@H]3CCOC3)CC2)cs1 ZINC000771037691 1079112522 /nfs/dbraw/zinc/11/25/22/1079112522.db2.gz FCLCECSDRPAHNE-CQSZACIVSA-N 0 3 410.540 2.151 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 ZINC000771124110 1079144387 /nfs/dbraw/zinc/14/43/87/1079144387.db2.gz HZYJOXJWZSINHZ-UHFFFAOYSA-N 0 3 403.527 2.176 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1c(F)ccc(F)c1F ZINC001169162388 1079171175 /nfs/dbraw/zinc/17/11/75/1079171175.db2.gz LTWXDYQNURLCCR-GFCCVEGCSA-N 0 3 423.439 2.200 20 0 HEADHN COCCOC(=O)Nc1cccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000771128207 1079182925 /nfs/dbraw/zinc/18/29/25/1079182925.db2.gz QVEOTGBEBHYVNL-UHFFFAOYSA-N 0 3 421.542 2.419 20 0 HEADHN COc1cncc(CCNc2nccc(CN3CC[C@H](CO)C3)c2C(OC)OC)c1 ZINC001169263835 1079206209 /nfs/dbraw/zinc/20/62/09/1079206209.db2.gz YPAQRRGUWZJRLS-KRWDZBQOSA-N 0 3 416.522 2.245 20 0 HEADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2ccc(SC(F)F)nc2)CC1 ZINC000771212855 1079229901 /nfs/dbraw/zinc/22/99/01/1079229901.db2.gz CVEMRBNKVXUYHO-UHFFFAOYSA-N 0 3 416.494 2.340 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCCN1CCC[C@@H]1C)C(C)C ZINC000771220522 1079234145 /nfs/dbraw/zinc/23/41/45/1079234145.db2.gz XQCVWERBGFSIQU-KRWDZBQOSA-N 0 3 402.539 2.486 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@]3(CCC(=O)N3Cc3ccncc3)C2)CO1 ZINC001169387766 1079258917 /nfs/dbraw/zinc/25/89/17/1079258917.db2.gz OXYJYNSRAVDHDQ-IPJJNNNSSA-N 0 3 401.507 2.149 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CCN(Cc4ccccn4)C3=O)CC2)CO1 ZINC001169388796 1079259237 /nfs/dbraw/zinc/25/92/37/1079259237.db2.gz QJJPNQCAKPGCKN-OALUTQOASA-N 0 3 401.507 2.007 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)N[C@H](CO)C[C@H](O)c3ccccc3)c2)CC1 ZINC000771271846 1079259699 /nfs/dbraw/zinc/25/96/99/1079259699.db2.gz JQIKMBGVHQSBEU-UNMCSNQZSA-N 0 3 412.534 2.435 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389889 1079259923 /nfs/dbraw/zinc/25/99/23/1079259923.db2.gz UBLCGOOKGUXZTD-TWFHAPMSSA-N 0 3 422.547 2.212 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@]3(C2)C[C@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169398947 1079272425 /nfs/dbraw/zinc/27/24/25/1079272425.db2.gz UBLCGOOKGUXZTD-OEMYIYORSA-N 0 3 422.547 2.212 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2C[C@@H]3CC[C@H](C2)C3C(=O)NCCc2cccs2)CO1 ZINC001169393541 1079265786 /nfs/dbraw/zinc/26/57/86/1079265786.db2.gz SSOAWVFYAJPEPM-GYFUMUFKSA-N 0 3 420.575 2.476 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC(F)(F)[C@]3(CCN(c4cnccn4)C3)C2)CO1 ZINC001169395385 1079267432 /nfs/dbraw/zinc/26/74/32/1079267432.db2.gz IBQXURUXNPSXNP-JTDSTZFVSA-N 0 3 410.465 2.125 20 0 HEADHN O=C(CCN1CCCC[C@@H]1COC(=O)N1CCCCC1)NC(=O)NCC(F)(F)F ZINC001170025248 1079289987 /nfs/dbraw/zinc/28/99/87/1079289987.db2.gz GXLSPHIOJZBMAS-CQSZACIVSA-N 0 3 422.448 2.242 20 0 HEADHN COc1ccc(-c2noc(CONC(=N)CNC(=O)OC(C)(C)C)n2)c(OC)c1 ZINC000766740097 1079321602 /nfs/dbraw/zinc/32/16/02/1079321602.db2.gz IHMLOYYWHYXOFI-UHFFFAOYSA-N 0 3 407.427 2.277 20 0 HEADHN Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)NCCCN2CCc3ccccc3C2)cn1 ZINC000766757560 1079337067 /nfs/dbraw/zinc/33/70/67/1079337067.db2.gz NIDODZFLHMNMGT-FCHUYYIVSA-N 0 3 411.550 2.466 20 0 HEADHN CC(=O)N1CCC[C@@H](N2CCN(C3(C)CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 ZINC001169617566 1079354024 /nfs/dbraw/zinc/35/40/24/1079354024.db2.gz SDJGIVGSETWQQR-LJQANCHMSA-N 0 3 408.587 2.405 20 0 HEADHN CCNc1nc(NC(C)(C)C)nc(N2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)n1 ZINC000804333364 1079366955 /nfs/dbraw/zinc/36/69/55/1079366955.db2.gz YYPCMVAGJUVPOE-ZDUSSCGKSA-N 0 3 402.499 2.007 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000771578124 1079378348 /nfs/dbraw/zinc/37/83/48/1079378348.db2.gz FZNBHPMYIFBTAL-FNNTWHHHSA-N 0 3 420.513 2.222 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2nc(NCc3ccco3)ncc2Cl)CC1 ZINC000771662350 1079431355 /nfs/dbraw/zinc/43/13/55/1079431355.db2.gz ZUZDRMXNTGTNBS-UHFFFAOYSA-N 0 3 420.945 2.481 20 0 HEADHN COC(=O)c1cccc(NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C2CCCC2)n1 ZINC001169822122 1079434422 /nfs/dbraw/zinc/43/44/22/1079434422.db2.gz RPLUCIVAEIWBFX-MRXNPFEDSA-N 0 3 420.510 2.480 20 0 HEADHN CC[C@@H]1N(C2CCC(S(C)(=O)=O)CC2)CCC[C@]12CCC(=O)N2CCOC ZINC001169879843 1079453293 /nfs/dbraw/zinc/45/32/93/1079453293.db2.gz HKTILEOROFKWLF-BZWMRVRASA-N 0 3 400.585 2.224 20 0 HEADHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(C1CCC(S(C)(=O)=O)CC1)CC2 ZINC001169879859 1079453799 /nfs/dbraw/zinc/45/37/99/1079453799.db2.gz IBMGPCJYVPCLBU-XBMUEBEBSA-N 0 3 422.595 2.140 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC3(CC[C@H](C(=O)N4CCCC4)OC3)CC2)CC1 ZINC001169884303 1079457851 /nfs/dbraw/zinc/45/78/51/1079457851.db2.gz AGEXBVGNYUSMAD-CTWPCTMYSA-N 0 3 412.596 2.226 20 0 HEADHN CCc1cc(CNC(=O)C(=O)Nc2cc(Cl)ccc2N2CCN(CC)CC2)n[nH]1 ZINC000737298360 1075901702 /nfs/dbraw/zinc/90/17/02/1075901702.db2.gz GHOPPWLYORDVKX-UHFFFAOYSA-N 0 3 418.929 2.022 20 0 HEADHN CN1CCC2(CC1)NC(=O)N(CN1CCSC[C@@H]1c1ccc(Cl)cc1)C2=O ZINC000738256200 1075977014 /nfs/dbraw/zinc/97/70/14/1075977014.db2.gz QQAZYXWHCRNXFT-MRXNPFEDSA-N 0 3 408.955 2.404 20 0 HEADHN O=C(Nc1ccc(-n2cncn2)c(Cl)c1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739117828 1076045436 /nfs/dbraw/zinc/04/54/36/1076045436.db2.gz FQQYICJEKXEMPR-UHFFFAOYSA-N 0 3 416.913 2.336 20 0 HEADHN O=C(Nc1cc(N2CCCC2=O)ccc1F)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739119683 1076046337 /nfs/dbraw/zinc/04/63/37/1076046337.db2.gz MBHXGKKKUFLQTC-UHFFFAOYSA-N 0 3 416.497 2.368 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3ccsc3)cc2)CC1 ZINC000740033677 1076097100 /nfs/dbraw/zinc/09/71/00/1076097100.db2.gz NODMHRNZVZBXOY-HXUWFJFHSA-N 0 3 402.564 2.418 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@@H](O)c2ccsc2)[C@H](c2ccccc2)C1 ZINC000740033660 1076097206 /nfs/dbraw/zinc/09/72/06/1076097206.db2.gz MQKNVHZDCXSDIW-VQTJNVASSA-N 0 3 402.564 2.460 20 0 HEADHN O=C(NC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000740497335 1076175306 /nfs/dbraw/zinc/17/53/06/1076175306.db2.gz COAGXLUXFPUVBD-GOSISDBHSA-N 0 3 419.572 2.128 20 0 HEADHN CN(CCCN1CCN(C)CC1)C(=O)CNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000740748048 1076233547 /nfs/dbraw/zinc/23/35/47/1076233547.db2.gz RSJAUEJHMGNHAA-UHFFFAOYSA-N 0 3 408.546 2.179 20 0 HEADHN C[C@@H]1CN(C[C@H](O)COc2ccc3c(c2)OCO3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740885225 1076284584 /nfs/dbraw/zinc/28/45/84/1076284584.db2.gz ZDBKFLJGGPQSSZ-VYDXJSESSA-N 0 3 408.495 2.390 20 0 HEADHN CON(C)C(=O)[C@H](CCSC)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000766260309 1076318616 /nfs/dbraw/zinc/31/86/16/1076318616.db2.gz BLRGJTSLDNUWCF-WMZOPIPTSA-N 0 3 411.543 2.295 20 0 HEADHN Cc1cc(NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)ccc1C(=O)N(C)C ZINC000741095795 1076366871 /nfs/dbraw/zinc/36/68/71/1076366871.db2.gz RMXKSCAGMLMHJY-UHFFFAOYSA-N 0 3 424.545 2.268 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000741209311 1076404260 /nfs/dbraw/zinc/40/42/60/1076404260.db2.gz JIOFPOWBPUDGOC-PMACEKPBSA-N 0 3 414.527 2.254 20 0 HEADHN CCOC(=O)[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)CCO1 ZINC000741267748 1076437373 /nfs/dbraw/zinc/43/73/73/1076437373.db2.gz ALOSEAFYZUGMGE-PMACEKPBSA-N 0 3 403.523 2.433 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1ccccc1Cn1cncn1 ZINC000741396683 1076510004 /nfs/dbraw/zinc/51/00/04/1076510004.db2.gz ZZMGMALEDZABAI-QFIPXVFZSA-N 0 3 406.490 2.085 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc(N2CCOC2=O)cc1 ZINC000741391950 1076518857 /nfs/dbraw/zinc/51/88/57/1076518857.db2.gz JDVMGNDTSCZGGC-QFIPXVFZSA-N 0 3 410.474 2.402 20 0 HEADHN CN(C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)[C@H]1CCCN(C)C1 ZINC000741626532 1076570556 /nfs/dbraw/zinc/57/05/56/1076570556.db2.gz YRNLUHLUVSKGDM-WNJRYGEDSA-N 0 3 405.564 2.252 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN[C@H](C)c3nnc4ccccn43)cc2)CC1 ZINC000741716030 1076590584 /nfs/dbraw/zinc/59/05/84/1076590584.db2.gz UNTJDNXQXNGZBT-QGZVFWFLSA-N 0 3 407.522 2.161 20 0 HEADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742617277 1076857055 /nfs/dbraw/zinc/85/70/55/1076857055.db2.gz PLHXQISWWHPYON-NRFANRHFSA-N 0 3 408.502 2.215 20 0 HEADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2cc(OCc3ccccc3)ccn2)CC1 ZINC000742617278 1076857083 /nfs/dbraw/zinc/85/70/83/1076857083.db2.gz PLHXQISWWHPYON-OAQYLSRUSA-N 0 3 408.502 2.215 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000742669968 1076862999 /nfs/dbraw/zinc/86/29/99/1076862999.db2.gz OSRLPDIHVAIEJE-ICSRJNTNSA-N 0 3 418.582 2.437 20 0 HEADHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000743048630 1076937962 /nfs/dbraw/zinc/93/79/62/1076937962.db2.gz BROLMAORKNWRDM-QGZVFWFLSA-N 0 3 400.500 2.500 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NC[C@@H](O)COc3cccc(F)c3)cc2)CC1 ZINC000743308386 1077023882 /nfs/dbraw/zinc/02/38/82/1077023882.db2.gz CYBCCKDGURDCSZ-HXUWFJFHSA-N 0 3 401.482 2.137 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)cc2)CC1 ZINC000743293580 1077025717 /nfs/dbraw/zinc/02/57/17/1077025717.db2.gz RKUPVIGTLBFWRA-LJQANCHMSA-N 0 3 420.513 2.286 20 0 HEADHN CC[C@@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCS1 ZINC000743399549 1077042783 /nfs/dbraw/zinc/04/27/83/1077042783.db2.gz BJXWVGRGJFGUBZ-WIYYLYMNSA-N 0 3 402.564 2.358 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1cc(N2CCCC2=O)ccc1F)N1CCC(C)CC1 ZINC000743413106 1077049053 /nfs/dbraw/zinc/04/90/53/1077049053.db2.gz APYISWXCNPSHIJ-OAHLLOKOSA-N 0 3 404.486 2.128 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(=O)n(Cc2ccccc2)c1)N1CCC(C)CC1 ZINC000743414794 1077049701 /nfs/dbraw/zinc/04/97/01/1077049701.db2.gz WRPZBDFUSXXAOD-GOSISDBHSA-N 0 3 410.518 2.072 20 0 HEADHN CN(C[C@H]1CCCN1C[C@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000743865789 1077152709 /nfs/dbraw/zinc/15/27/09/1077152709.db2.gz GSRNNNRKAVYIOZ-CVEARBPZSA-N 0 3 408.495 2.486 20 0 HEADHN CCCCCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000743876201 1077158775 /nfs/dbraw/zinc/15/87/75/1077158775.db2.gz WCPKFLINVPUEKV-IBGZPJMESA-N 0 3 402.539 2.488 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@@H](Cc2ccccc2)N(C)C)cccc1N1CCOC1=O ZINC000743876346 1077159105 /nfs/dbraw/zinc/15/91/05/1077159105.db2.gz DDTRVVXBDUFVKC-GOSISDBHSA-N 0 3 424.501 2.179 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000743882941 1077171945 /nfs/dbraw/zinc/17/19/45/1077171945.db2.gz GGODDNFTANGPBS-GOEBONIOSA-N 0 3 402.495 2.127 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cccc1N1CCOC1=O ZINC000743885176 1077175185 /nfs/dbraw/zinc/17/51/85/1077175185.db2.gz TXKZMCGMXYOMJY-GJZGRUSLSA-N 0 3 402.495 2.269 20 0 HEADHN Cc1c(NC(=O)C(=O)N[C@H](Cc2ccccc2)CN(C)C)cccc1N1CCOC1=O ZINC000743895366 1077206755 /nfs/dbraw/zinc/20/67/55/1077206755.db2.gz MRWIFSOAEZYKCV-GOSISDBHSA-N 0 3 424.501 2.179 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccccc3NC(C)=O)cc2)CC1 ZINC000743936803 1077227424 /nfs/dbraw/zinc/22/74/24/1077227424.db2.gz JFUMSEHWQGVTDG-UHFFFAOYSA-N 0 3 423.517 2.042 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-n2cccn2)cc1C(F)(F)F ZINC000743979449 1077292420 /nfs/dbraw/zinc/29/24/20/1077292420.db2.gz UADYUQBKFMCCQZ-ZDUSSCGKSA-N 0 3 409.412 2.430 20 0 HEADHN COc1cc(Br)c(NC(=O)C(=O)NCCN2CCC[C@H]2C)cc1OC ZINC000743980203 1077294123 /nfs/dbraw/zinc/29/41/23/1077294123.db2.gz XJOVJJUZSIDOSP-LLVKDONJSA-N 0 3 414.300 2.005 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000744098531 1077322643 /nfs/dbraw/zinc/32/26/43/1077322643.db2.gz STYRROJJTGVZQI-UHFFFAOYSA-N 0 3 423.510 2.407 20 0 HEADHN CCOC(=O)Nc1ccc2c(CN3CCN([C@H](CC)CO)CC3)cc(=O)oc2c1 ZINC000744419925 1077379110 /nfs/dbraw/zinc/37/91/10/1077379110.db2.gz URWALTGTMGSQCH-QGZVFWFLSA-N 0 3 403.479 2.250 20 0 HEADHN CN(C)[C@H](CNC(=O)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761375 1079514865 /nfs/dbraw/zinc/51/48/65/1079514865.db2.gz LBJVMVXRSLIEQH-RTBURBONSA-N 0 3 404.555 2.347 20 0 HEADHN CCN(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000771773043 1079526270 /nfs/dbraw/zinc/52/62/70/1079526270.db2.gz VNAHBVUKCRNKPV-OALUTQOASA-N 0 3 422.595 2.434 20 0 HEADHN O=C(NC[C@@H]1CCCO1)Nc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000771843642 1079533427 /nfs/dbraw/zinc/53/34/27/1079533427.db2.gz ODCXQMGLXZUTQY-QWHCGFSZSA-N 0 3 400.357 2.364 20 0 HEADHN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@@H](CO)C1CC1 ZINC000771821620 1079547159 /nfs/dbraw/zinc/54/71/59/1079547159.db2.gz UZIKVCWOVYJZFQ-SFHVURJKSA-N 0 3 413.474 2.255 20 0 HEADHN Cc1sc2nc(COC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)nc(N)c2c1C ZINC000771898761 1079582381 /nfs/dbraw/zinc/58/23/81/1079582381.db2.gz OUOUEMCMRYIFQC-IUCAKERBSA-N 0 3 402.398 2.391 20 0 HEADHN CC[C@@H](c1ccccc1)n1cc(O)n(-c2ccc(Cc3[nH]c(O)nc3O)cc2)c1=O ZINC000772083783 1079692325 /nfs/dbraw/zinc/69/23/25/1079692325.db2.gz DROFPQYNYDYHKG-MSOLQXFVSA-N 0 3 406.442 2.357 20 0 HEADHN C[NH+](C)CCCC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CC1 ZINC000767128533 1079694622 /nfs/dbraw/zinc/69/46/22/1079694622.db2.gz KLFMXULATPAMNW-UHFFFAOYSA-N 0 3 411.543 2.460 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc(N)c(Cl)n3)cc2)CC1 ZINC000772075643 1079710627 /nfs/dbraw/zinc/71/06/27/1079710627.db2.gz ONVQQWOLDIGQND-UHFFFAOYSA-N 0 3 417.897 2.255 20 0 HEADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 ZINC000804347390 1079719422 /nfs/dbraw/zinc/71/94/22/1079719422.db2.gz KFZHGRGHTZREOQ-UHFFFAOYSA-N 0 3 405.367 2.364 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@@H](O)c1c(F)cccc1F ZINC000767362285 1079829103 /nfs/dbraw/zinc/82/91/03/1079829103.db2.gz QZXUFJXQKPSLGY-DYESRHJHSA-N 0 3 401.413 2.195 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1cc(F)ccc1F ZINC000767361424 1079829303 /nfs/dbraw/zinc/82/93/03/1079829303.db2.gz OKKIRFAKZFXKLB-RXVVDRJESA-N 0 3 401.413 2.195 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000772411758 1079847271 /nfs/dbraw/zinc/84/72/71/1079847271.db2.gz ZAUZYSSVXRAKFJ-KZNAEPCWSA-N 0 3 411.591 2.100 20 0 HEADHN CCOC(=O)C1=C(CN(C)CCCn2ccnc2C)NC(=O)N[C@H]1c1ccccc1 ZINC000767450772 1079878086 /nfs/dbraw/zinc/87/80/86/1079878086.db2.gz VCANGCWJESPORP-FQEVSTJZSA-N 0 3 411.506 2.385 20 0 HEADHN CCOC(=O)C1C(CN(C)CCCn2ccnc2C)=NC(=O)N[C@H]1c1ccccc1 ZINC000767450772 1079878090 /nfs/dbraw/zinc/87/80/90/1079878090.db2.gz VCANGCWJESPORP-FQEVSTJZSA-N 0 3 411.506 2.385 20 0 HEADHN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000772475172 1079894167 /nfs/dbraw/zinc/89/41/67/1079894167.db2.gz ASHLRYXCLGVXCJ-IRXDYDNUSA-N 0 3 413.584 2.099 20 0 HEADHN CC[C@@]1(C)CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CCO1 ZINC000785509676 1080027685 /nfs/dbraw/zinc/02/76/85/1080027685.db2.gz DWYABLJLQINDOG-VXKWHMMOSA-N 0 3 400.523 2.031 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2ccc(C)cc2OC)CC1=O ZINC000785646762 1080095692 /nfs/dbraw/zinc/09/56/92/1080095692.db2.gz IPFKZRFRFGKKJN-IAGOWNOFSA-N 0 3 402.491 2.062 20 0 HEADHN CN(CCc1ccncc1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170048652 1080121129 /nfs/dbraw/zinc/12/11/29/1080121129.db2.gz RJKCAWCVPSILDE-ROUUACIJSA-N 0 3 420.579 2.467 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000767886644 1080202733 /nfs/dbraw/zinc/20/27/33/1080202733.db2.gz MCXANYNWLMQEQO-SFHVURJKSA-N 0 3 411.593 2.076 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2[C@H](C)CC[C@H]2C)CC1 ZINC000785730726 1080204627 /nfs/dbraw/zinc/20/46/27/1080204627.db2.gz NYCOHLWPHSPDSU-WOJBJXKFSA-N 0 3 401.551 2.445 20 0 HEADHN Cc1ccc(CN2CCCN(C(=O)COC(=O)CN3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000785736941 1080209799 /nfs/dbraw/zinc/20/97/99/1080209799.db2.gz XYQHOAZQPTUTTQ-PMACEKPBSA-N 0 3 401.551 2.445 20 0 HEADHN CC(C)[C@H](OC(=O)c1cccc(CN2CCCC2)c1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000785710827 1080219835 /nfs/dbraw/zinc/21/98/35/1080219835.db2.gz ZJKANIDWOAZGNY-UXHICEINSA-N 0 3 415.534 2.188 20 0 HEADHN O=C(O[C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785713389 1080221287 /nfs/dbraw/zinc/22/12/87/1080221287.db2.gz LTKGZUIFFIHHDV-KRWDZBQOSA-N 0 3 414.424 2.211 20 0 HEADHN CC(=O)N1CCN(C(=O)[C@H](OC(=O)c2cccc(CN3CCCC3)c2)C(C)C)CC1 ZINC000785712770 1080222107 /nfs/dbraw/zinc/22/21/07/1080222107.db2.gz FRRNEZJAOJOAPS-OAQYLSRUSA-N 0 3 415.534 2.155 20 0 HEADHN COC(=O)C1(NC(=O)COC(=O)c2cccc(CN3CCCC3)c2)CCCCC1 ZINC000785715241 1080223014 /nfs/dbraw/zinc/22/30/14/1080223014.db2.gz GOSWQFBOWLKUAE-UHFFFAOYSA-N 0 3 402.491 2.431 20 0 HEADHN O=C(OCCc1nnnn1-c1ccccc1)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785716264 1080223829 /nfs/dbraw/zinc/22/38/29/1080223829.db2.gz ZNRASUZDTKVIBA-UHFFFAOYSA-N 0 3 421.501 2.266 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)CCc3nc4c(cnn4C)c(=O)[nH]3)c2)CC1 ZINC000767936971 1080231722 /nfs/dbraw/zinc/23/17/22/1080231722.db2.gz UXTJDCYSOPKMBL-UHFFFAOYSA-N 0 3 423.521 2.171 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccc4c(c3)NC(=O)C4)cc2)CC1 ZINC000785777652 1080241150 /nfs/dbraw/zinc/24/11/50/1080241150.db2.gz STDWXSLDUCQIIB-UHFFFAOYSA-N 0 3 422.485 2.119 20 0 HEADHN CCOc1ccc(N2C[C@H](C(=O)N3CCN(C4CCOCC4)C[C@@H]3C)CC2=O)cc1 ZINC000785809034 1080252870 /nfs/dbraw/zinc/25/28/70/1080252870.db2.gz AMIPFDIAPRFBIV-ZWKOTPCHSA-N 0 3 415.534 2.150 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N[C@@H]3CCN(CC4CC4)C3)C[C@@H](C1)C2=O ZINC000768034479 1080277109 /nfs/dbraw/zinc/27/71/09/1080277109.db2.gz RGAZJCNEXLKSNV-HQSKLWIPSA-N 0 3 405.539 2.049 20 0 HEADHN CC(C)O[C@@H]1CCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170052420 1080295366 /nfs/dbraw/zinc/29/53/66/1080295366.db2.gz SJRLLZZRXXMSIA-BBWFWOEESA-N 0 3 413.584 2.397 20 0 HEADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)N(C)C ZINC000786025508 1080339951 /nfs/dbraw/zinc/33/99/51/1080339951.db2.gz PIYOEEAUTFBLFX-JXFKEZNVSA-N 0 3 410.518 2.443 20 0 HEADHN CN(C[C@H]1CCCN(C)C1)C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768145296 1080353400 /nfs/dbraw/zinc/35/34/00/1080353400.db2.gz DVPAEIHYBDQRLU-OOKSDGMUSA-N 0 3 407.555 2.249 20 0 HEADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)Nc1cnc(Cl)c(Br)c1 ZINC000768168411 1080382389 /nfs/dbraw/zinc/38/23/89/1080382389.db2.gz YTMWTMLEJLTKNH-LLVKDONJSA-N 0 3 403.708 2.427 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000768253640 1080443515 /nfs/dbraw/zinc/44/35/15/1080443515.db2.gz MLNZMNWXCCAIRN-PZJWPPBQSA-N 0 3 415.534 2.405 20 0 HEADHN Cc1c(C(=O)NC[C@H](O)c2cccc(C)c2)nnn1-c1cccc2c1CCN(C)C2 ZINC000768308479 1080477591 /nfs/dbraw/zinc/47/75/91/1080477591.db2.gz SKVROVAJHAAFEL-NRFANRHFSA-N 0 3 405.502 2.335 20 0 HEADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@H]2CCCC3(C2)OCCO3)c1 ZINC000768324166 1080486412 /nfs/dbraw/zinc/48/64/12/1080486412.db2.gz WQDRYQRKNLWXTR-IBGZPJMESA-N 0 3 421.538 2.129 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000786249726 1080489075 /nfs/dbraw/zinc/48/90/75/1080489075.db2.gz NCWXQOVHKPAEKQ-UHFFFAOYSA-N 0 3 401.511 2.101 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 ZINC001169991110 1080514225 /nfs/dbraw/zinc/51/42/25/1080514225.db2.gz SDPNFQPGODEOPY-NRFANRHFSA-N 0 3 419.541 2.302 20 0 HEADHN CCc1ccc([C@]2(CC)NC(=O)N(CN3CCN(C4CCOCC4)CC3)C2=O)cc1 ZINC000768492443 1080604887 /nfs/dbraw/zinc/60/48/87/1080604887.db2.gz GYRSFNFWCVCPDM-QHCPKHFHSA-N 0 3 414.550 2.160 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3[C@@H]4c5ccccc5C[C@H]34)cc2)CC1 ZINC000768739028 1080763407 /nfs/dbraw/zinc/76/34/07/1080763407.db2.gz PSGASIKBZVLAJT-DNVJHFABSA-N 0 3 418.541 2.469 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000746602917 1080799233 /nfs/dbraw/zinc/79/92/33/1080799233.db2.gz JWEOPPVVSXMGML-HNNXBMFYSA-N 0 3 414.472 2.096 20 0 HEADHN CN1CCN(CCCCNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000786763270 1080805472 /nfs/dbraw/zinc/80/54/72/1080805472.db2.gz GQHKGPMFSLBWOU-UHFFFAOYSA-N 0 3 404.555 2.469 20 0 HEADHN CNS(=O)(=O)Cc1ccc(CN[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786799295 1080832844 /nfs/dbraw/zinc/83/28/44/1080832844.db2.gz GMFHUDYJQPDRFE-HNNXBMFYSA-N 0 3 402.520 2.116 20 0 HEADHN O=C(COC(=O)CCN1CCc2ccccc2C1)NCc1cnn(-c2ccccc2)c1 ZINC000786811979 1080839460 /nfs/dbraw/zinc/83/94/60/1080839460.db2.gz ASDMJIZRRYRIKD-UHFFFAOYSA-N 0 3 418.497 2.480 20 0 HEADHN C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)CCN1CCc2ccccc2C1 ZINC000786814947 1080840913 /nfs/dbraw/zinc/84/09/13/1080840913.db2.gz DUIJTHDHZLVTDL-LPHOPBHVSA-N 0 3 401.507 2.383 20 0 HEADHN C[C@H](NCCN(C)S(=O)(=O)c1cccs1)c1ccc(N2CCNC2=O)cc1 ZINC000786871868 1080863515 /nfs/dbraw/zinc/86/35/15/1080863515.db2.gz OQNXLIMUVXLGSK-AWEZNQCLSA-N 0 3 408.549 2.249 20 0 HEADHN Cc1nn(C)cc1CN1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769025640 1080888793 /nfs/dbraw/zinc/88/87/93/1080888793.db2.gz UHRVLTBSCFWEJA-KRWDZBQOSA-N 0 3 405.543 2.020 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000769097556 1080907063 /nfs/dbraw/zinc/90/70/63/1080907063.db2.gz JJZIXITYICKTSW-KBAYOESNSA-N 0 3 415.456 2.019 20 0 HEADHN COc1cc(N[C@@H]2CCCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)cc(OC)c1 ZINC000769098461 1080907946 /nfs/dbraw/zinc/90/79/46/1080907946.db2.gz LUJPPHDFYQWMMO-HGHGUNKESA-N 0 3 418.538 2.153 20 0 HEADHN O=C(NCc1nnc(-c2ccccc2)[nH]1)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000769121773 1080942610 /nfs/dbraw/zinc/94/26/10/1080942610.db2.gz TWWSMQPQSZNUMK-WOJBJXKFSA-N 0 3 420.517 2.154 20 0 HEADHN CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCc2nc3ccc(F)cc3[nH]2)CC1 ZINC000769248557 1081015942 /nfs/dbraw/zinc/01/59/42/1081015942.db2.gz JDACSTDLNGMLHE-UHFFFAOYSA-N 0 3 419.501 2.350 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000787189288 1081055717 /nfs/dbraw/zinc/05/57/17/1081055717.db2.gz ONQZGUKLZUZWGG-RYQLBKOJSA-N 0 3 423.355 2.190 20 0 HEADHN Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)C2=O)cc1 ZINC000787268228 1081101844 /nfs/dbraw/zinc/10/18/44/1081101844.db2.gz WLXDFUGGGMMJCW-GHTZIAJQSA-N 0 3 414.550 2.385 20 0 HEADHN COc1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)nc(Cl)n1 ZINC001164685360 719651961 /nfs/dbraw/zinc/65/19/61/719651961.db2.gz ZNBWFSUXCYPVIP-UHFFFAOYSA-N 0 3 400.861 2.419 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1cc([C@@H](CC(=O)OC)C3CC3)ccn1)CC2 ZINC001164690153 719736131 /nfs/dbraw/zinc/73/61/31/719736131.db2.gz UOIPCTUNVWFNJX-IBGZPJMESA-N 0 3 414.550 2.319 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ncccc1C(=O)N1CCC(C)CC1)CC2 ZINC001164690271 719738939 /nfs/dbraw/zinc/73/89/39/719738939.db2.gz XWOYDBCUTKSIAB-UHFFFAOYSA-N 0 3 413.566 2.135 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3cccnc3)nc3c1CCC3)CC2 ZINC001164689905 719748182 /nfs/dbraw/zinc/74/81/82/719748182.db2.gz OHKBEVRAGVKVCG-UHFFFAOYSA-N 0 3 406.534 2.208 20 0 HEADHN CC(C)N1[C@@H]2CCN(c3ccc(S(C)(=O)=O)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164835639 720590860 /nfs/dbraw/zinc/59/08/60/720590860.db2.gz CCTOTUAOCMXOAK-JENIJYKNSA-N 0 3 403.552 2.059 20 0 HEADHN COC(=O)c1ccc2c(ccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737939 720676431 /nfs/dbraw/zinc/67/64/31/720676431.db2.gz HTRNWDSJDCWGHZ-ZWKOTPCHSA-N 0 3 405.458 2.153 20 0 HEADHN COC(=O)c1ccc2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164739680 720676836 /nfs/dbraw/zinc/67/68/36/720676836.db2.gz OSQNKUUMRVLWQY-ROUUACIJSA-N 0 3 405.458 2.153 20 0 HEADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164743708 720703943 /nfs/dbraw/zinc/70/39/43/720703943.db2.gz XUVQMMITYTYOIF-PMACEKPBSA-N 0 3 416.485 2.466 20 0 HEADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1 ZINC001164740946 720757634 /nfs/dbraw/zinc/75/76/34/720757634.db2.gz LLCYHHXWMFFIIQ-HKUYNNGSSA-N 0 3 404.474 2.284 20 0 HEADHN COc1cc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cc2cc1OC ZINC001164745317 720772803 /nfs/dbraw/zinc/77/28/03/720772803.db2.gz VCZPXTUTGXHLLH-MSOLQXFVSA-N 0 3 407.474 2.384 20 0 HEADHN c1cncc(-c2nc3c(c(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)n2)CCC3)c1 ZINC001164752750 720789641 /nfs/dbraw/zinc/78/96/41/720789641.db2.gz ZRDGKCVWLIBXOX-ROUUACIJSA-N 0 3 415.501 2.159 20 0 HEADHN c1cncc(-c2nc3c(c(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)n2)CCC3)c1 ZINC001164752754 720789756 /nfs/dbraw/zinc/78/97/56/720789756.db2.gz ZRDGKCVWLIBXOX-ZWKOTPCHSA-N 0 3 415.501 2.159 20 0 HEADHN NC(=S)c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2sccc21 ZINC001164744910 720805860 /nfs/dbraw/zinc/80/58/60/720805860.db2.gz JPOHGVROKGYPIQ-STQMWFEESA-N 0 3 412.544 2.062 20 0 HEADHN COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]2C1 ZINC001164860908 720868966 /nfs/dbraw/zinc/86/89/66/720868966.db2.gz XHMGDARGILAERZ-NEPJUHHUSA-N 0 3 408.902 2.137 20 0 HEADHN COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(=S)[n-]3)CC[C@@H]2C1 ZINC001164860908 720868967 /nfs/dbraw/zinc/86/89/67/720868967.db2.gz XHMGDARGILAERZ-NEPJUHHUSA-N 0 3 408.902 2.137 20 0 HEADHN CN(C)Cc1ccnc(N2C[C@H](C(=O)N(C)Cc3ccccn3)C[C@H]3OCC[C@@H]32)c1 ZINC001164763566 721016564 /nfs/dbraw/zinc/01/65/64/721016564.db2.gz YEQGLEOFJXOPRK-HLAWJBBLSA-N 0 3 409.534 2.181 20 0 HEADHN CCOC(=O)c1cc(F)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870558 721058773 /nfs/dbraw/zinc/05/87/73/721058773.db2.gz WIIAWICTISPORC-MSOLQXFVSA-N 0 3 400.454 2.272 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164763672 721067142 /nfs/dbraw/zinc/06/71/42/721067142.db2.gz GOBOTTLLJXYWIO-JQVVWYNYSA-N 0 3 409.534 2.181 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1C ZINC001164764135 721189610 /nfs/dbraw/zinc/18/96/10/721189610.db2.gz GHYVSLPNMGGQIK-HUUCEWRRSA-N 0 3 400.918 2.017 20 0 HEADHN COc1cc(OC)c2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164760189 721241561 /nfs/dbraw/zinc/24/15/61/721241561.db2.gz CZBCRGMPTAWPPD-IRXDYDNUSA-N 0 3 408.506 2.339 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164879019 721309180 /nfs/dbraw/zinc/30/91/80/721309180.db2.gz MKQQZGHWSRTTSB-KDURUIRLSA-N 0 3 412.559 2.433 20 0 HEADHN O=S(=O)(c1ccccc1)N1C[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2C1 ZINC001164879539 721309683 /nfs/dbraw/zinc/30/96/83/721309683.db2.gz NIDLWTUHPGDDOW-PMACEKPBSA-N 0 3 412.559 2.434 20 0 HEADHN Cc1cc(N2CCCC2)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164894477 721378611 /nfs/dbraw/zinc/37/86/11/721378611.db2.gz YHGFDWNIKPCEHZ-REWPJTCUSA-N 0 3 414.598 2.151 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1NCC1CC1 ZINC001164885571 721379379 /nfs/dbraw/zinc/37/93/79/721379379.db2.gz CMGACXDPZVDBBC-NFBKMPQASA-N 0 3 414.598 2.372 20 0 HEADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1C ZINC001164908224 721530196 /nfs/dbraw/zinc/53/01/96/721530196.db2.gz POALPXCXFKFBDD-FUHWJXTLSA-N 0 3 400.454 2.443 20 0 HEADHN CON(C)C(=O)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907791 721547171 /nfs/dbraw/zinc/54/71/71/721547171.db2.gz OOPCMLZOWQMPBI-FUHWJXTLSA-N 0 3 400.454 2.196 20 0 HEADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164908047 721567771 /nfs/dbraw/zinc/56/77/71/721567771.db2.gz PMKZRUXCKIJNLF-ZBFHGGJFSA-N 0 3 419.888 2.361 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(CN5CCCC5)cn4)C[C@H]32)cc1 ZINC001165016141 721796556 /nfs/dbraw/zinc/79/65/56/721796556.db2.gz CFPCXIUDDIYJRW-FGZHOGPDSA-N 0 3 422.529 2.302 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@H]3CN(c4ccc(CN5CCCC5)cn4)C[C@@H]32)cc1 ZINC001165016144 721796671 /nfs/dbraw/zinc/79/66/71/721796671.db2.gz CFPCXIUDDIYJRW-VXKWHMMOSA-N 0 3 422.529 2.302 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ccc(CN(C)C5CC5)cn4)C[C@H]32)cc1 ZINC001165027461 721796818 /nfs/dbraw/zinc/79/68/18/721796818.db2.gz VUWOVKCVMIPSMJ-FGZHOGPDSA-N 0 3 422.529 2.301 20 0 HEADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)c3ncc(C)n3CCN4C)c12 ZINC001164918380 721813807 /nfs/dbraw/zinc/81/38/07/721813807.db2.gz VJSMZCWTVAKLDA-UHFFFAOYSA-N 0 3 409.494 2.081 20 0 HEADHN O=C(CO[C@@H]1CO[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)N1CCCC1 ZINC001164937913 721919268 /nfs/dbraw/zinc/91/92/68/721919268.db2.gz HIZGNHLCSLKCIR-REWPJTCUSA-N 0 3 414.550 2.054 20 0 HEADHN CC(C)C(=O)N1CCN(c2ccc(CN(C)C3CC3)cn2)C[C@]2(CCCC(=O)N2)C1 ZINC001164971553 722088525 /nfs/dbraw/zinc/08/85/25/722088525.db2.gz JUBIKRMWSWAFLY-HSZRJFAPSA-N 0 3 413.566 2.019 20 0 HEADHN O=C(c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1)N1CCCC1 ZINC001164981431 722099468 /nfs/dbraw/zinc/09/94/68/722099468.db2.gz LLVVLQIKZOWVDZ-UNMCSNQZSA-N 0 3 421.545 2.440 20 0 HEADHN CCOC(=O)Cc1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164985292 722104583 /nfs/dbraw/zinc/10/45/83/722104583.db2.gz WEVGMSOPVAFJHE-SFTDATJTSA-N 0 3 410.518 2.310 20 0 HEADHN O=c1cc2[nH]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(Cl)cc-2[nH]1 ZINC001164983085 722121644 /nfs/dbraw/zinc/12/16/44/722121644.db2.gz YDKZQOMDFLCXAY-BEFAXECRSA-N 0 3 413.909 2.352 20 0 HEADHN O=c1cc2[nH]c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(Cl)cc-2[nH]1 ZINC001164983088 722121776 /nfs/dbraw/zinc/12/17/76/722121776.db2.gz YDKZQOMDFLCXAY-HNAYVOBHSA-N 0 3 413.909 2.352 20 0 HEADHN O=C(NC1CC1)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164982008 722123768 /nfs/dbraw/zinc/12/37/68/722123768.db2.gz VPZMTIPEMSQMGB-PZJWPPBQSA-N 0 3 407.518 2.096 20 0 HEADHN CCOC(=O)c1ncnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1C ZINC001164981519 722124066 /nfs/dbraw/zinc/12/40/66/722124066.db2.gz UIPHCIZCLLEAKA-RBUKOAKNSA-N 0 3 411.506 2.084 20 0 HEADHN COC(=O)c1cc2c[nH]c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)cc-2n1 ZINC001164980278 722135035 /nfs/dbraw/zinc/13/50/35/722135035.db2.gz MKPOZQCXGRTHOB-UTKZUKDTSA-N 0 3 421.501 2.472 20 0 HEADHN CN(Cc1ccc(-n2c([C@@H]3COCCN3)nccc2=NCc2ccco2)nc1)C1CC1 ZINC001164986332 722173232 /nfs/dbraw/zinc/17/32/32/722173232.db2.gz JUSCJRVACVLNIT-FQEVSTJZSA-N 0 3 420.517 2.216 20 0 HEADHN CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCC(C)(C)C2)c1 ZINC000769708741 1078531070 /nfs/dbraw/zinc/53/10/70/1078531070.db2.gz XKKYDMSCCROGOO-UHFFFAOYSA-N 0 3 401.960 2.442 20 0 HEADHN CCC[C@@]1(CO)CCCN1CC1=C(C(=O)OCC)[C@H](c2ccccc2)NC(=O)N1 ZINC000769914288 1078632691 /nfs/dbraw/zinc/63/26/91/1078632691.db2.gz YIAIICAIMCEWKK-UGKGYDQZSA-N 0 3 401.507 2.485 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 ZINC000745745177 1078632969 /nfs/dbraw/zinc/63/29/69/1078632969.db2.gz YDGXPFIAPPPNHR-IBGZPJMESA-N 0 3 415.582 2.276 20 0 HEADHN C[C@@H](NC(=O)CN[C@H](CNC(=O)OC(C)(C)C)C1CCCC1)C(=O)N1CCCCC1 ZINC000769919584 1078634802 /nfs/dbraw/zinc/63/48/02/1078634802.db2.gz ACSNJHSZHSJZBZ-SJLPKXTDSA-N 0 3 424.586 2.177 20 0 HEADHN C[C@H](CNC(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1)CN1CCN(C)CC1 ZINC000745781127 1078640833 /nfs/dbraw/zinc/64/08/33/1078640833.db2.gz WSLJEPXEKVMUOL-QZTJIDSGSA-N 0 3 401.555 2.057 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000745782681 1078641933 /nfs/dbraw/zinc/64/19/33/1078641933.db2.gz VUHAWIWFKNNFOC-ZWKOTPCHSA-N 0 3 417.554 2.277 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000745782677 1078642058 /nfs/dbraw/zinc/64/20/58/1078642058.db2.gz VUHAWIWFKNNFOC-MSOLQXFVSA-N 0 3 417.554 2.277 20 0 HEADHN Cc1ccc(N2CCC[C@H](NC(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2)cc1 ZINC000745796496 1078651126 /nfs/dbraw/zinc/65/11/26/1078651126.db2.gz TZLHJTRPWKOJSV-PZJWPPBQSA-N 0 3 415.582 2.206 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861217 1078676614 /nfs/dbraw/zinc/67/66/14/1078676614.db2.gz ANABWEVVXNSVPV-YJBOKZPZSA-N 0 3 416.488 2.312 20 0 HEADHN C[C@H](CNC(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1)CN1CCN(C)CC1 ZINC000745862735 1078677703 /nfs/dbraw/zinc/67/77/03/1078677703.db2.gz NVQBYAKOEBJQHP-DYVFJYSZSA-N 0 3 403.354 2.210 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCN(c3ccc(C)cc3)CC2)CC1 ZINC000745863214 1078678198 /nfs/dbraw/zinc/67/81/98/1078678198.db2.gz SVIQGQSCJSIBMT-OAQYLSRUSA-N 0 3 401.599 2.490 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000745863535 1078678317 /nfs/dbraw/zinc/67/83/17/1078678317.db2.gz WPFORRFVQCVUFL-OAHLLOKOSA-N 0 3 416.492 2.085 20 0 HEADHN O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000746012127 1078732544 /nfs/dbraw/zinc/73/25/44/1078732544.db2.gz ZFRLUHIVVQUMAV-UHFFFAOYSA-N 0 3 423.435 2.140 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176168 1078748712 /nfs/dbraw/zinc/74/87/12/1078748712.db2.gz ZTRMGOWGSLIRNR-QUCCMNQESA-N 0 3 418.582 2.265 20 0 HEADHN C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2F)C[C@H](C)O1 ZINC000746041162 1078748959 /nfs/dbraw/zinc/74/89/59/1078748959.db2.gz PVEUSMICDJHKAC-ATLSCFEFSA-N 0 3 418.513 2.073 20 0 HEADHN COc1cc(OC)cc([C@H](O)CN[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049464 1078758336 /nfs/dbraw/zinc/75/83/36/1078758336.db2.gz QARQQWGFDIPBAI-JLTOFOAXSA-N 0 3 408.520 2.338 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000770176169 1078771016 /nfs/dbraw/zinc/77/10/16/1078771016.db2.gz ZTRMGOWGSLIRNR-UYAOXDASSA-N 0 3 418.582 2.265 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000770274696 1078802623 /nfs/dbraw/zinc/80/26/23/1078802623.db2.gz QMMRFNQLKHFRKX-NVXWUHKLSA-N 0 3 405.470 2.065 20 0 HEADHN CCOC(=O)N1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)CC1 ZINC000746184618 1078812197 /nfs/dbraw/zinc/81/21/97/1078812197.db2.gz AXSHQGMOTLNTCF-UHFFFAOYSA-N 0 3 402.539 2.198 20 0 HEADHN CCN1CCN(CCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000746160643 1078812669 /nfs/dbraw/zinc/81/26/69/1078812669.db2.gz DZPHYLHEHGASQJ-LJQANCHMSA-N 0 3 404.555 2.396 20 0 HEADHN Cn1cc(C(=O)Nc2ccc(OC(=O)[C@]3(O)CCN(Cc4ccccc4)C3)cc2)cn1 ZINC000746210652 1078819476 /nfs/dbraw/zinc/81/94/76/1078819476.db2.gz SKDBBCCJMNKPKC-QHCPKHFHSA-N 0 3 420.469 2.215 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(C(=O)OCc3ccccc3)c2)CC1=O ZINC000746229861 1078822241 /nfs/dbraw/zinc/82/22/41/1078822241.db2.gz UQXIDPYCYPDQJE-LJQANCHMSA-N 0 3 409.486 2.392 20 0 HEADHN CC(C)N1C(=S)N=NC1CCNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000746238505 1078829080 /nfs/dbraw/zinc/82/90/80/1078829080.db2.gz LKTARTLZSBXNOV-UHFFFAOYSA-N 0 3 402.568 2.019 20 0 HEADHN COCCN(CC(C)C)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746502406 1078848198 /nfs/dbraw/zinc/84/81/98/1078848198.db2.gz OMFTUVOETZJMHC-JOCHJYFZSA-N 0 3 402.539 2.135 20 0 HEADHN C/C(=C/C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1OC(F)F ZINC000766341068 1078853080 /nfs/dbraw/zinc/85/30/80/1078853080.db2.gz RBECLVDEUCJYDB-XUZQSEFNSA-N 0 3 407.461 2.456 20 0 HEADHN Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000766344538 1078872526 /nfs/dbraw/zinc/87/25/26/1078872526.db2.gz XRUWFAXPCDDEHP-KRWDZBQOSA-N 0 3 415.925 2.213 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CCN1CCOC ZINC000766381186 1078930165 /nfs/dbraw/zinc/93/01/65/1078930165.db2.gz RRDPLVJEVPNPMW-DENIHFKCSA-N 0 3 402.539 2.234 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CCN1CCOC ZINC000766383354 1078933349 /nfs/dbraw/zinc/93/33/49/1078933349.db2.gz YHJVXLUHEXJNQC-JPMGXVIASA-N 0 3 400.523 2.312 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)CC1 ZINC000770654267 1078940533 /nfs/dbraw/zinc/94/05/33/1078940533.db2.gz GGXNQPATJGOISU-VQIMIIECSA-N 0 3 405.564 2.098 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(Cl)ccc1Br ZINC000766456719 1079009878 /nfs/dbraw/zinc/00/98/78/1079009878.db2.gz AEJBLPYULPNOHT-NWDGAFQWSA-N 0 3 416.703 2.020 20 0 HEADHN CCOC(=O)C1=C(CN[C@@](C)(CO)C2CCCCC2)NC(=O)N[C@H]1c1ccco1 ZINC000746469832 1079019199 /nfs/dbraw/zinc/01/91/99/1079019199.db2.gz DVAIFKNSZGFOGK-RXVVDRJESA-N 0 3 405.495 2.372 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(COc2ccccc2)c1 ZINC000770802786 1079025771 /nfs/dbraw/zinc/02/57/71/1079025771.db2.gz QREGHYSSTUDBKC-LJQANCHMSA-N 0 3 424.545 2.346 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000746476164 1079030040 /nfs/dbraw/zinc/03/00/40/1079030040.db2.gz RSKJSJYDWVYJDD-IRXDYDNUSA-N 0 3 401.573 2.133 20 0 HEADHN COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCCCCCC2)c1 ZINC000804293075 1079048892 /nfs/dbraw/zinc/04/88/92/1079048892.db2.gz DGMGZGOYZDBCRU-UHFFFAOYSA-N 0 3 405.539 2.053 20 0 HEADHN CC(C)(NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C(=O)NCC1CCCCC1 ZINC001168874079 1079065324 /nfs/dbraw/zinc/06/53/24/1079065324.db2.gz RTBOWBULVAFLGE-GOSISDBHSA-N 0 3 417.550 2.376 20 0 HEADHN COC(=O)c1ccc([C@H](CO)N[C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cc1 ZINC001168920113 1079075776 /nfs/dbraw/zinc/07/57/76/1079075776.db2.gz LQMJLADWICOYRO-CTNGQTDRSA-N 0 3 412.486 2.296 20 0 HEADHN COC(=O)c1nn(-c2ccccc2)cc1OC[C@@H](O)CN(C)[C@@H](C)c1ccncc1 ZINC001168951251 1079085327 /nfs/dbraw/zinc/08/53/27/1079085327.db2.gz YRNZNDBDNIUVRT-LPHOPBHVSA-N 0 3 410.474 2.487 20 0 HEADHN COc1ccc(C(=O)CCC(=O)N2C[C@@]3(C)CN(C)C[C@]3(C)C2)c(OC)c1OC ZINC001168929713 1079088161 /nfs/dbraw/zinc/08/81/61/1079088161.db2.gz KCERYUPRMDORDG-FGZHOGPDSA-N 0 3 404.507 2.476 20 0 HEADHN CC(C)c1ccc(C[C@@H]2CCN(CC(=O)NC3CCN(S(C)(=O)=O)CC3)C2)cc1 ZINC001168968661 1079093395 /nfs/dbraw/zinc/09/33/95/1079093395.db2.gz LGBLWLWTQMPFIJ-IBGZPJMESA-N 0 3 421.607 2.215 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000771039995 1079112964 /nfs/dbraw/zinc/11/29/64/1079112964.db2.gz OXCHYQYNTKTFAT-WMZOPIPTSA-N 0 3 405.926 2.058 20 0 HEADHN COCC[S@](=O)Cc1cccc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c1 ZINC000771155975 1079169783 /nfs/dbraw/zinc/16/97/83/1079169783.db2.gz BBFOBCUBGLGSQI-LJAQVGFWSA-N 0 3 424.611 2.119 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000771165952 1079181152 /nfs/dbraw/zinc/18/11/52/1079181152.db2.gz OOEPLIIWOACQOP-PFUSGODGSA-N 0 3 406.474 2.462 20 0 HEADHN Cc1nc([C@H](C)N[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)cs1 ZINC001169169959 1079185500 /nfs/dbraw/zinc/18/55/00/1079185500.db2.gz QQEIWQYTEVGIPQ-OLZOCXBDSA-N 0 3 404.540 2.108 20 0 HEADHN Cc1csc([C@H](C)N[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170332 1079186102 /nfs/dbraw/zinc/18/61/02/1079186102.db2.gz UXWMFOHQGVYNGX-OCCSQVGLSA-N 0 3 404.540 2.108 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000771136061 1079187617 /nfs/dbraw/zinc/18/76/17/1079187617.db2.gz YSVWRVRXLVSCKE-QRVBRYPASA-N 0 3 403.571 2.448 20 0 HEADHN CS(=O)(=O)N1CCN(c2cccc(NCc3c(Cl)cncc3Cl)n2)CC1 ZINC001169183078 1079194420 /nfs/dbraw/zinc/19/44/20/1079194420.db2.gz CFTHQABZMHNBBZ-UHFFFAOYSA-N 0 3 416.334 2.477 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1cccc(F)c1F ZINC001169213721 1079197186 /nfs/dbraw/zinc/19/71/86/1079197186.db2.gz SFQLOAUCRIWEBN-AWEZNQCLSA-N 0 3 419.476 2.403 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1ccc(F)cc1F ZINC001169214178 1079197922 /nfs/dbraw/zinc/19/79/22/1079197922.db2.gz XUYNYBJCRKNSQA-CQSZACIVSA-N 0 3 419.476 2.403 20 0 HEADHN COc1cccnc1CNc1nccc(CN2CC[C@@H](CO)C2)c1C(OC)OC ZINC001169205982 1079205305 /nfs/dbraw/zinc/20/53/05/1079205305.db2.gz UGGLUJQMTYNESC-OAHLLOKOSA-N 0 3 402.495 2.203 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000766652491 1079220822 /nfs/dbraw/zinc/22/08/22/1079220822.db2.gz QACZBTJMZKLNPR-KUHUBIRLSA-N 0 3 417.481 2.463 20 0 HEADHN COc1cccc(CN2CCC(NC(=O)CNC(=O)c3ccccc3OC)CC2)c1 ZINC000771232538 1079219254 /nfs/dbraw/zinc/21/92/54/1079219254.db2.gz FGHNINUYAXXGCG-UHFFFAOYSA-N 0 3 411.502 2.214 20 0 HEADHN Cc1cc(C(=O)NC2CCN(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)CC2)no1 ZINC000062474859 1079220027 /nfs/dbraw/zinc/22/00/27/1079220027.db2.gz ZPJKOEUPRUOOFN-LJQANCHMSA-N 0 3 413.522 2.060 20 0 HEADHN NC(=O)c1cccnc1N1CCN(C2CCC(OC(=O)c3ccccc3)CC2)CC1 ZINC001169305352 1079231250 /nfs/dbraw/zinc/23/12/50/1079231250.db2.gz HSCIMCWRIUEURC-UHFFFAOYSA-N 0 3 408.502 2.471 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCC3(CCN(Cc4csc(C)n4)C3=O)CC2)CO1 ZINC001169388781 1079258720 /nfs/dbraw/zinc/25/87/20/1079258720.db2.gz QFINJPBJNQTPDD-ZWKOTPCHSA-N 0 3 421.563 2.377 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)CO1 ZINC001169388541 1079258981 /nfs/dbraw/zinc/25/89/81/1079258981.db2.gz ASPZIDWDCOMFOO-GJYPPUQNSA-N 0 3 410.465 2.125 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@]3(C2)C[C@@H](NC(=O)c2ccsc2)CCO3)CO1 ZINC001169389885 1079260215 /nfs/dbraw/zinc/26/02/15/1079260215.db2.gz UBLCGOOKGUXZTD-LXGFNABISA-N 0 3 422.547 2.212 20 0 HEADHN CCCNC(=O)c1ccc(O[C@H]2CCN([C@@H]3CC[C@@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416235 1079275947 /nfs/dbraw/zinc/27/59/47/1079275947.db2.gz BCBLITSGKKJUTR-HOJAQTOUSA-N 0 3 404.507 2.390 20 0 HEADHN CCN(C[C@H]1CCCO1)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746507080 1079294600 /nfs/dbraw/zinc/29/46/00/1079294600.db2.gz SBKUMLIPRSMALT-DENIHFKCSA-N 0 3 400.523 2.031 20 0 HEADHN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(CCN1CCCCC1)C2=O ZINC000766710474 1079297462 /nfs/dbraw/zinc/29/74/62/1079297462.db2.gz FMGBPWMQQHLQSB-HRAATJIYSA-N 0 3 408.543 2.478 20 0 HEADHN CC(=O)N1CC[C@@H](N([C@@H](c2ccccc2)[C@@H](N)c2ccccc2)S(C)(=O)=O)C1 ZINC001169525330 1079323231 /nfs/dbraw/zinc/32/32/31/1079323231.db2.gz BNPPSFBLXKXTJV-HKBOAZHASA-N 0 3 401.532 2.310 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C1=CCN(C)CC1 ZINC000771450419 1079329362 /nfs/dbraw/zinc/32/93/62/1079329362.db2.gz FOLKFHWAWZTLIM-FKIZINRSSA-N 0 3 422.888 2.013 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CCCn3c(=O)cc(CN4CCCC4)nc3C2)CC1 ZINC001169695420 1079376353 /nfs/dbraw/zinc/37/63/53/1079376353.db2.gz XCRMQAMVSWJUOJ-IBGZPJMESA-N 0 3 417.554 2.056 20 0 HEADHN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CN1CC[C@@H](OCc3ccncc3)C1)OC2=O ZINC001169716289 1079383367 /nfs/dbraw/zinc/38/33/67/1079383367.db2.gz SYVYESUZVUFYBX-MSOLQXFVSA-N 0 3 417.506 2.225 20 0 HEADHN O=C(NC1CCC1)c1nn([C@H]2CCCN(C(=O)c3ccccc3)C2)c2c1CNCC2 ZINC001169775174 1079396477 /nfs/dbraw/zinc/39/64/77/1079396477.db2.gz ZZCQWRFWKODLRR-SFHVURJKSA-N 0 3 407.518 2.288 20 0 HEADHN CC(C)c1ccc(N2CC[C@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)C2=O)cc1 ZINC000771657472 1079428653 /nfs/dbraw/zinc/42/86/53/1079428653.db2.gz NGTGYVHCBABKOR-WIYYLYMNSA-N 0 3 400.567 2.305 20 0 HEADHN CCc1ccc(N2C[C@@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)CC2=O)cc1 ZINC000771659677 1079430849 /nfs/dbraw/zinc/43/08/49/1079430849.db2.gz BBVDDTFEEPZOBE-IBGZPJMESA-N 0 3 400.567 2.134 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C2CCN(C3CCC(S(C)(=O)=O)CC3)CC2)C1 ZINC001169884110 1079457747 /nfs/dbraw/zinc/45/77/47/1079457747.db2.gz XFYOZUAWMCFXMX-LRYGQEGESA-N 0 3 400.585 2.082 20 0 HEADHN CC(C)(C)C(=O)Nc1ccc(CN2CC[C@@H](CO)C2)nc1NC[C@@H]1COC(C)(C)O1 ZINC001169909004 1079473202 /nfs/dbraw/zinc/47/32/02/1079473202.db2.gz OQXSPDDKMCJYJQ-NVXWUHKLSA-N 0 3 420.554 2.444 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000737821239 1075933406 /nfs/dbraw/zinc/93/34/06/1075933406.db2.gz REKASCNFGKDFGQ-OLZOCXBDSA-N 0 3 406.280 2.296 20 0 HEADHN COc1ccc(-n2ccn(CN3CCN(C(=O)CN4CCCC4)CC3)c2=S)cc1 ZINC000738159805 1075970932 /nfs/dbraw/zinc/97/09/32/1075970932.db2.gz DMRWSMOHGUCQGV-UHFFFAOYSA-N 0 3 415.563 2.214 20 0 HEADHN CCc1cc(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)[nH]n1 ZINC000738483719 1076005125 /nfs/dbraw/zinc/00/51/25/1076005125.db2.gz ZOBOFBFNEIFRPS-SFHVURJKSA-N 0 3 411.554 2.111 20 0 HEADHN CCc1cc(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n[nH]1 ZINC000738483719 1076005130 /nfs/dbraw/zinc/00/51/30/1076005130.db2.gz ZOBOFBFNEIFRPS-SFHVURJKSA-N 0 3 411.554 2.111 20 0 HEADHN Cc1cccc(OC[C@@H](O)CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738881483 1076021167 /nfs/dbraw/zinc/02/11/67/1076021167.db2.gz JHWQBUXVWDLDMY-IBGZPJMESA-N 0 3 407.555 2.219 20 0 HEADHN O=C(Nc1ccc(=O)n(Cc2ccccc2)c1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739121576 1076047292 /nfs/dbraw/zinc/04/72/92/1076047292.db2.gz VSNPTIGORJEJNQ-UHFFFAOYSA-N 0 3 422.529 2.312 20 0 HEADHN CS(=O)(=O)Nc1cccc(CNC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000740014126 1076102334 /nfs/dbraw/zinc/10/23/34/1076102334.db2.gz DDQLCHAYWPLRLY-MRXNPFEDSA-N 0 3 412.895 2.306 20 0 HEADHN Cc1c(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)cccc1S(=O)(=O)NC(C)(C)C ZINC000740458919 1076181699 /nfs/dbraw/zinc/18/16/99/1076181699.db2.gz RKCVIEFLOOEUOT-HOTGVXAUSA-N 0 3 424.567 2.057 20 0 HEADHN C[C@@H]1CN(CCC(=O)Nc2sccc2C(N)=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740883210 1076283396 /nfs/dbraw/zinc/28/33/96/1076283396.db2.gz HVRGLOREPODFTB-OCCSQVGLSA-N 0 3 410.540 2.411 20 0 HEADHN CN1CCN(CCCCNC(=O)NC[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000740907196 1076287291 /nfs/dbraw/zinc/28/72/91/1076287291.db2.gz LEHOCFOBXDINLR-MRXNPFEDSA-N 0 3 403.354 2.354 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@](C)(O)c3ccsc3)cc2)CC1 ZINC000740906066 1076298988 /nfs/dbraw/zinc/29/89/88/1076298988.db2.gz AFKULPUIWHKOQS-NRFANRHFSA-N 0 3 402.564 2.202 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H](CCO)c3cccs3)cc2)CC1 ZINC000741076659 1076354975 /nfs/dbraw/zinc/35/49/75/1076354975.db2.gz JMNZIFYUGKNXPX-IBGZPJMESA-N 0 3 402.564 2.418 20 0 HEADHN O=C(NCc1nc(Cc2ccccc2)no1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000741412480 1076514563 /nfs/dbraw/zinc/51/45/63/1076514563.db2.gz PLWMYNMULRPLFG-HSZRJFAPSA-N 0 3 421.501 2.097 20 0 HEADHN C[C@@H](NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000741414734 1076515190 /nfs/dbraw/zinc/51/51/90/1076515190.db2.gz VFUIMUNSPLPGEM-OSPHWJPCSA-N 0 3 422.529 2.203 20 0 HEADHN CN(C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)[C@@H]1CCCN(C)C1 ZINC000741626533 1076570476 /nfs/dbraw/zinc/57/04/76/1076570476.db2.gz YRNLUHLUVSKGDM-ZRNYNZGJSA-N 0 3 405.564 2.252 20 0 HEADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000741679355 1076583639 /nfs/dbraw/zinc/58/36/39/1076583639.db2.gz BOWUXKKLJDIKBT-KURKYZTESA-N 0 3 424.586 2.129 20 0 HEADHN CN1CCC(NC(=S)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000741867664 1076659579 /nfs/dbraw/zinc/65/95/79/1076659579.db2.gz BBCNXYZGDGEFAS-MRXNPFEDSA-N 0 3 412.506 2.342 20 0 HEADHN C[C@@]1(c2ccc(C(F)(F)F)cc2)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742163409 1076760703 /nfs/dbraw/zinc/76/07/03/1076760703.db2.gz RXNPCBVABYWGLZ-LPHOPBHVSA-N 0 3 408.424 2.376 20 0 HEADHN Cc1ccc(C)c([C@H]2CN(CN3C(=O)NC4(CCN(C)CC4)C3=O)[C@@H](C)CO2)c1 ZINC000742169012 1076762840 /nfs/dbraw/zinc/76/28/40/1076762840.db2.gz AHXVHPWVJLMBIK-PKOBYXMFSA-N 0 3 400.523 2.039 20 0 HEADHN C[C@@]1(c2ccccc2Br)NC(=O)N(CN2CC[C@@H](N3CC=CC3)C2)C1=O ZINC000742162239 1076773294 /nfs/dbraw/zinc/77/32/94/1076773294.db2.gz DLAMESJLGFYDHH-KUHUBIRLSA-N 0 3 419.323 2.120 20 0 HEADHN CN1CCN(Cc2cccc(C(=O)Nc3ccccc3N3CCN(C)CC3)c2)CC1 ZINC000742243558 1076804479 /nfs/dbraw/zinc/80/44/79/1076804479.db2.gz KUHNCRVKUSIJCL-UHFFFAOYSA-N 0 3 407.562 2.438 20 0 HEADHN O=CNc1ccc(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC000742247906 1076805761 /nfs/dbraw/zinc/80/57/61/1076805761.db2.gz GCEWEOOMZYEVFH-IBGZPJMESA-N 0 3 407.518 2.324 20 0 HEADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)ccc1Br ZINC000742305174 1076813347 /nfs/dbraw/zinc/81/33/47/1076813347.db2.gz PDFKPHAWQGUGKV-XHDPSFHLSA-N 0 3 419.341 2.196 20 0 HEADHN CN1CCC[C@@H](CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293432 1076819799 /nfs/dbraw/zinc/81/97/99/1076819799.db2.gz HCTJTALIQSYVJF-VQTJNVASSA-N 0 3 423.579 2.296 20 0 HEADHN CN1CCC[C@H](CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293458 1076819841 /nfs/dbraw/zinc/81/98/41/1076819841.db2.gz IDDNMTLYGVIJQO-MOPGFXCFSA-N 0 3 409.552 2.049 20 0 HEADHN NC(=NOCC(=O)N(C1CC1)C1CCCC1)c1ccccc1CN1CCC(O)CC1 ZINC000742358075 1076830312 /nfs/dbraw/zinc/83/03/12/1076830312.db2.gz YTZAPWYWGRLDCU-UHFFFAOYSA-N 0 3 414.550 2.423 20 0 HEADHN CCN(CC)[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 ZINC000742345485 1076831736 /nfs/dbraw/zinc/83/17/36/1076831736.db2.gz YDLAFNXONQRIAC-LBPRGKRZSA-N 0 3 419.341 2.341 20 0 HEADHN O=C(Nc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1)OCC(F)(F)F ZINC000742599480 1076854967 /nfs/dbraw/zinc/85/49/67/1076854967.db2.gz WAOGMCKXVFYTJY-HUUCEWRRSA-N 0 3 401.385 2.390 20 0 HEADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(OCc2ccccc2)ccn1 ZINC000742615675 1076856884 /nfs/dbraw/zinc/85/68/84/1076856884.db2.gz FPZWJHWJNXCMPH-OAQYLSRUSA-N 0 3 410.518 2.333 20 0 HEADHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000742880728 1076888529 /nfs/dbraw/zinc/88/85/29/1076888529.db2.gz QAVIRSWCAHBRLN-ZDUSSCGKSA-N 0 3 415.506 2.209 20 0 HEADHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000742880728 1076888531 /nfs/dbraw/zinc/88/85/31/1076888531.db2.gz QAVIRSWCAHBRLN-ZDUSSCGKSA-N 0 3 415.506 2.209 20 0 HEADHN CCN(C)C[C@@H]1CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)C1 ZINC000742910760 1076891125 /nfs/dbraw/zinc/89/11/25/1076891125.db2.gz KIULQODYKAJUSC-LBPRGKRZSA-N 0 3 403.342 2.266 20 0 HEADHN CC(C)OC(=O)NCc1ccc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000743157865 1076970694 /nfs/dbraw/zinc/97/06/94/1076970694.db2.gz FLDYKRHLBMDCEG-QGZVFWFLSA-N 0 3 405.543 2.326 20 0 HEADHN CCOC(=O)/C=C\c1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000743414598 1077049938 /nfs/dbraw/zinc/04/99/38/1077049938.db2.gz SBSPZNLWPYNGDU-CGQZWFTASA-N 0 3 401.507 2.438 20 0 HEADHN Cc1cc([C@](C)(O)CNC(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)c(C)o1 ZINC000743511998 1077065415 /nfs/dbraw/zinc/06/54/15/1077065415.db2.gz ZTBAOKIZCNLNOF-HSZRJFAPSA-N 0 3 423.517 2.411 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000743622441 1077076355 /nfs/dbraw/zinc/07/63/55/1077076355.db2.gz GWMDAXGZNDHTED-KSZLIROESA-N 0 3 412.575 2.480 20 0 HEADHN CN(C[C@H]1CCCN1C[C@@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C ZINC000743865792 1077152257 /nfs/dbraw/zinc/15/22/57/1077152257.db2.gz GSRNNNRKAVYIOZ-HZPDHXFCSA-N 0 3 408.495 2.486 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743882561 1077168468 /nfs/dbraw/zinc/16/84/68/1077168468.db2.gz ATGXITGFTBMBKI-LSDHHAIUSA-N 0 3 402.495 2.127 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](C)C1 ZINC000743885569 1077175363 /nfs/dbraw/zinc/17/53/63/1077175363.db2.gz WRIOGPPSYUQVBK-SJORKVTESA-N 0 3 404.580 2.415 20 0 HEADHN COC(=O)Nc1cccc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)c1 ZINC000743924423 1077248961 /nfs/dbraw/zinc/24/89/61/1077248961.db2.gz MZVGNQVLZUCQDF-UHFFFAOYSA-N 0 3 410.474 2.019 20 0 HEADHN Cc1nc(-c2ccccc2NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)no1 ZINC000743925113 1077249571 /nfs/dbraw/zinc/24/95/71/1077249571.db2.gz UTIPOCQEJKDJSH-UHFFFAOYSA-N 0 3 419.485 2.199 20 0 HEADHN CCO[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C12CCC2 ZINC000743929997 1077255501 /nfs/dbraw/zinc/25/55/01/1077255501.db2.gz XQFCZOOLPRHUMV-WOJBJXKFSA-N 0 3 414.550 2.231 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[C@H](SC)C3)c(C)c2)CC1 ZINC000743969640 1077274144 /nfs/dbraw/zinc/27/41/44/1077274144.db2.gz XCRSULFRWCTWRF-WMZOPIPTSA-N 0 3 404.580 2.476 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000743978336 1077291474 /nfs/dbraw/zinc/29/14/74/1077291474.db2.gz GHWVVQXHCXYHOC-DLBZAZTESA-N 0 3 400.523 2.240 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000743982011 1077295151 /nfs/dbraw/zinc/29/51/51/1077295151.db2.gz NLGGAYXVVBGOKC-INIZCTEOSA-N 0 3 410.522 2.211 20 0 HEADHN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NC(=O)CN[C@H](CCO)C1CC1 ZINC000771794660 1079511355 /nfs/dbraw/zinc/51/13/55/1079511355.db2.gz HDOFDWCFOHLPMO-GOSISDBHSA-N 0 3 423.579 2.329 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(C)C ZINC000771794926 1079511452 /nfs/dbraw/zinc/51/14/52/1079511452.db2.gz HMKXSRHTYJAKAO-QGZVFWFLSA-N 0 3 402.539 2.296 20 0 HEADHN CC(C)(C)OC(=O)NC[C@](C)(NCC(=O)NC[C@H]1COc2ccccc2O1)C1CC1 ZINC000766942788 1079531186 /nfs/dbraw/zinc/53/11/86/1079531186.db2.gz SJZDTHNDYHXMHC-AOMKIAJQSA-N 0 3 419.522 2.226 20 0 HEADHN COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000771810316 1079541729 /nfs/dbraw/zinc/54/17/29/1079541729.db2.gz HAXZSVGSKSZOSR-UHFFFAOYSA-N 0 3 424.910 2.112 20 0 HEADHN Cc1cc(NC(=S)NCC(=O)N(C)C)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000771848058 1079549625 /nfs/dbraw/zinc/54/96/25/1079549625.db2.gz GRXFMTNIGCUOJD-QGZVFWFLSA-N 0 3 400.552 2.013 20 0 HEADHN C[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C[C@H]1C ZINC000766989163 1079550428 /nfs/dbraw/zinc/55/04/28/1079550428.db2.gz ROWGKTPPUCNJJZ-SBSYXSKNSA-N 0 3 402.520 2.212 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000766963005 1079558715 /nfs/dbraw/zinc/55/87/15/1079558715.db2.gz PJVXEZGHYVQESK-CYBMUJFWSA-N 0 3 407.536 2.330 20 0 HEADHN Cc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1S(=O)(=O)NC(C)(C)C ZINC000772061391 1079680688 /nfs/dbraw/zinc/68/06/88/1079680688.db2.gz XESFWGRLKVNROB-NSHDSACASA-N 0 3 407.414 2.449 20 0 HEADHN O=C1c2ccccc2/C(=C/NC[C@H]2CN3CCN2CC3)C(=O)N1c1ccccc1Cl ZINC000746521375 1079684721 /nfs/dbraw/zinc/68/47/21/1079684721.db2.gz HZFQEBVZXBNWTG-UYPHOHSBSA-N 0 3 422.916 2.457 20 0 HEADHN NC(=O)c1cc(OC2CCN(CCC(=O)Nc3cc(F)cc(F)c3)CC2)ccn1 ZINC000772333661 1079827295 /nfs/dbraw/zinc/82/72/95/1079827295.db2.gz RAHHVGSORNSAIB-UHFFFAOYSA-N 0 3 404.417 2.331 20 0 HEADHN O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1ccc(F)cc1F ZINC000767358334 1079828208 /nfs/dbraw/zinc/82/82/08/1079828208.db2.gz CGQYDWQVPZSIQS-GHTZIAJQSA-N 0 3 401.413 2.195 20 0 HEADHN NC(=O)c1cc(OC2CCN(C[C@@H](O)COCc3ccccc3Cl)CC2)ccn1 ZINC000772336297 1079829751 /nfs/dbraw/zinc/82/97/51/1079829751.db2.gz MYVMGPSWGCAYOB-MRXNPFEDSA-N 0 3 419.909 2.255 20 0 HEADHN CC(=O)c1ccc(N2CCN(C(=O)CN(C)CCCn3ccnc3C)CC2)c(F)c1 ZINC000767450012 1079876453 /nfs/dbraw/zinc/87/64/53/1079876453.db2.gz NJCLZZCDLMXOAY-UHFFFAOYSA-N 0 3 415.513 2.204 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CC[C@@]3(CCCO3)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170044286 1079916706 /nfs/dbraw/zinc/91/67/06/1079916706.db2.gz PZXRSTQSRIAHEU-GUXCAODWSA-N 0 3 411.568 2.152 20 0 HEADHN NS(=O)(=O)c1ccc(CCOC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000767645050 1080020131 /nfs/dbraw/zinc/02/01/31/1080020131.db2.gz VVRSGSPXIZCCOT-UHFFFAOYSA-N 0 3 402.516 2.332 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](Cc2c(F)cccc2F)C(C)=O)CC1=O ZINC000785650143 1080098497 /nfs/dbraw/zinc/09/84/97/1080098497.db2.gz QEGLBPSTFGAUGY-RZQQEMMASA-N 0 3 422.472 2.341 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)ccc2OC)CC1=O ZINC000785652142 1080104905 /nfs/dbraw/zinc/10/49/05/1080104905.db2.gz XJJKQCAFOJRZSA-IRXDYDNUSA-N 0 3 402.491 2.062 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)Nc1nnc([C@H]2CCCO2)o1 ZINC000785715738 1080224940 /nfs/dbraw/zinc/22/49/40/1080224940.db2.gz VECGEJPETRTLMU-MRXNPFEDSA-N 0 3 400.435 2.312 20 0 HEADHN CN(C)C[C@@H]1CCCCN1C(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000767958817 1080252521 /nfs/dbraw/zinc/25/25/21/1080252521.db2.gz FTVXSQZVUVDQOZ-FBVQUNGASA-N 0 3 407.555 2.391 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H]3CSCCS3)c2)CC1 ZINC000768109675 1080344201 /nfs/dbraw/zinc/34/42/01/1080344201.db2.gz XFTWMSMZAKSOMP-GOSISDBHSA-N 0 3 422.620 2.120 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000768129228 1080363936 /nfs/dbraw/zinc/36/39/36/1080363936.db2.gz XTRJJMIKJQMKQJ-QGZVFWFLSA-N 0 3 419.570 2.110 20 0 HEADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000768222218 1080427432 /nfs/dbraw/zinc/42/74/32/1080427432.db2.gz GYJRIZJKVZHABP-OAHLLOKOSA-N 0 3 414.481 2.103 20 0 HEADHN C[C@H](C(=O)NC1CC1)N1CCN(CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768228684 1080432024 /nfs/dbraw/zinc/43/20/24/1080432024.db2.gz LIGPAWQGTNPZQU-QGZVFWFLSA-N 0 3 408.587 2.308 20 0 HEADHN C[C@@H](NCc1ccc2c(c1)C(=O)NCC2)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768252853 1080441588 /nfs/dbraw/zinc/44/15/88/1080441588.db2.gz PRPRSXPZRNCOEA-VGSWGCGISA-N 0 3 423.513 2.488 20 0 HEADHN CN1CC[C@H]2[C@H](CCCN2C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768294394 1080466925 /nfs/dbraw/zinc/46/69/25/1080466925.db2.gz RAADCVDRRKEJDZ-YGPBLSMFSA-N 0 3 419.566 2.391 20 0 HEADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2CCCC3(C2)OCCO3)c1 ZINC000768324167 1080486521 /nfs/dbraw/zinc/48/65/21/1080486521.db2.gz WQDRYQRKNLWXTR-LJQANCHMSA-N 0 3 421.538 2.129 20 0 HEADHN Cc1cccc(C2(O)CCN(C(=O)NCCCCN3CCN(C)CC3)CC2)c1C ZINC000768361161 1080511995 /nfs/dbraw/zinc/51/19/95/1080511995.db2.gz LDNHCZPVIMRHKW-UHFFFAOYSA-N 0 3 402.583 2.324 20 0 HEADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 ZINC000786394902 1080584812 /nfs/dbraw/zinc/58/48/12/1080584812.db2.gz YAZDSSCMLDEQMC-KRWDZBQOSA-N 0 3 424.586 2.321 20 0 HEADHN C[C@H](OC(=O)Cc1n[nH]c2ccccc12)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000746587422 1080618007 /nfs/dbraw/zinc/61/80/07/1080618007.db2.gz XWZGLNKZGMBINF-WMZOPIPTSA-N 0 3 406.486 2.428 20 0 HEADHN C[C@H](OC(=O)Cc1[nH]nc2ccccc21)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000746587422 1080618015 /nfs/dbraw/zinc/61/80/15/1080618015.db2.gz XWZGLNKZGMBINF-WMZOPIPTSA-N 0 3 406.486 2.428 20 0 HEADHN CCCN(CC(=O)NCC(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768553183 1080624476 /nfs/dbraw/zinc/62/44/76/1080624476.db2.gz QHXFRNQDTMSCGQ-UHFFFAOYSA-N 0 3 412.575 2.129 20 0 HEADHN C[C@H](c1ccncc1)N1CCC(NC(=O)C(=O)NCc2ccc(Cl)nc2)CC1 ZINC000786601563 1080703278 /nfs/dbraw/zinc/70/32/78/1080703278.db2.gz FYJOWYOSHDGNJV-CQSZACIVSA-N 0 3 401.898 2.088 20 0 HEADHN CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)CCN2CCc3ccccc3C2)CC1 ZINC000786822527 1080845016 /nfs/dbraw/zinc/84/50/16/1080845016.db2.gz ZWPRNCOQNBBAHY-QGZVFWFLSA-N 0 3 416.518 2.168 20 0 HEADHN O=C(Nc1ccc(-n2nccn2)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000768967534 1080868806 /nfs/dbraw/zinc/86/88/06/1080868806.db2.gz NFHKZBUEPAOQFV-WIYYLYMNSA-N 0 3 406.490 2.272 20 0 HEADHN CCOC(=O)c1ccc(N2CC(N[C@H](C)c3ccc(N4CCNC4=O)cc3)C2)nc1 ZINC000786907043 1080878486 /nfs/dbraw/zinc/87/84/86/1080878486.db2.gz GPNSXGBCYXSYAE-OAHLLOKOSA-N 0 3 409.490 2.327 20 0 HEADHN O=C(Nc1ccn(Cc2ccccn2)n1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000768996525 1080894797 /nfs/dbraw/zinc/89/47/97/1080894797.db2.gz RQNJCIDCDVUYNC-PZJWPPBQSA-N 0 3 420.517 2.331 20 0 HEADHN Cn1cc(-c2cc(COC(=O)C3CCN(c4ccc(F)c(F)c4)C3=O)on2)cn1 ZINC000769090430 1080901809 /nfs/dbraw/zinc/90/18/09/1080901809.db2.gz IRTLCRCUBNOQBJ-CQSZACIVSA-N 0 3 402.357 2.450 20 0 HEADHN COc1cc(C(=O)OCC2CCN(Cc3ccco3)CC2)ccc1OCC(N)=O ZINC000772693980 1080981381 /nfs/dbraw/zinc/98/13/81/1080981381.db2.gz POMXXLPHVRNPIK-UHFFFAOYSA-N 0 3 402.447 2.221 20 0 HEADHN CC(=O)Nc1cccc([C@@H](C)NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)c1 ZINC000787085316 1080989210 /nfs/dbraw/zinc/98/92/10/1080989210.db2.gz SDCNAUMWPJCAGY-GOSISDBHSA-N 0 3 424.545 2.455 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000787164424 1081040954 /nfs/dbraw/zinc/04/09/54/1081040954.db2.gz SIHCBTQGSWMVQG-INIZCTEOSA-N 0 3 410.559 2.281 20 0 HEADHN COC(=O)C1(NC(=O)CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000746659752 1081043517 /nfs/dbraw/zinc/04/35/17/1081043517.db2.gz YRMOXOZZYZUQED-UHFFFAOYSA-N 0 3 411.543 2.310 20 0 HEADHN CN(CC(=O)N1CCN(Cc2ccco2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746661521 1081054620 /nfs/dbraw/zinc/05/46/20/1081054620.db2.gz MQURVXSDQDYBPA-UHFFFAOYSA-N 0 3 420.554 2.255 20 0 HEADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1 ZINC000769372300 1081056146 /nfs/dbraw/zinc/05/61/46/1081056146.db2.gz UWGYFKOULQPXCA-HOTGVXAUSA-N 0 3 411.493 2.482 20 0 HEADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423997 1081068807 /nfs/dbraw/zinc/06/88/07/1081068807.db2.gz IKLMZYIHKQNKEI-IEBWSBKVSA-N 0 3 418.586 2.354 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000787267489 1081100426 /nfs/dbraw/zinc/10/04/26/1081100426.db2.gz UCVRJXIHRPKGIG-RDTXWAMCSA-N 0 3 400.926 2.085 20 0 HEADHN CC(C)n1ncc2cc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)c(Cl)nc21 ZINC000769532000 1081112496 /nfs/dbraw/zinc/11/24/96/1081112496.db2.gz IEOCMZJSNMGKOF-KRWDZBQOSA-N 0 3 404.946 2.404 20 0 HEADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2ccccc2F)nnc1Cl ZINC001164635916 719138536 /nfs/dbraw/zinc/13/85/36/719138536.db2.gz XOEGLLUWVMKIKW-CQSZACIVSA-N 0 3 400.788 2.432 20 0 HEADHN COCCOc1cc2ncnc(N3C[C@H](C)N(C)C[C@@H]3C)c2cc1OCCOC ZINC001164634911 719168220 /nfs/dbraw/zinc/16/82/20/719168220.db2.gz JZWYEISKRSAZFG-HOTGVXAUSA-N 0 3 404.511 2.209 20 0 HEADHN COc1nnc(Cl)cc1C(F)(F)n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164679928 719651735 /nfs/dbraw/zinc/65/17/35/719651735.db2.gz AJGDYWBQGKJYPA-UHFFFAOYSA-N 0 3 400.861 2.419 20 0 HEADHN CCOC(=O)N1CCc2nnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164727682 720441635 /nfs/dbraw/zinc/44/16/35/720441635.db2.gz DWOKODQGAPEGPI-VQTJNVASSA-N 0 3 408.506 2.239 20 0 HEADHN CCOC(=O)[C@@H]1CCc2nnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)cc2C1 ZINC001164731572 720484182 /nfs/dbraw/zinc/48/41/82/720484182.db2.gz WMQFSHMABDTDIQ-UIFIKXQLSA-N 0 3 407.518 2.393 20 0 HEADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2n1 ZINC001164742549 720708280 /nfs/dbraw/zinc/70/82/80/720708280.db2.gz VNMLAPCNVWZZLM-ZIAGYGMSSA-N 0 3 412.881 2.424 20 0 HEADHN COc1cccc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164740086 720709867 /nfs/dbraw/zinc/70/98/67/720709867.db2.gz PSAAZHLOQVZLTR-KBPBESRZSA-N 0 3 412.881 2.424 20 0 HEADHN c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCC3)nc2c1 ZINC001164745874 720754208 /nfs/dbraw/zinc/75/42/08/720754208.db2.gz WBTTWPRRFLAEFD-ROUUACIJSA-N 0 3 417.517 2.362 20 0 HEADHN CN(Cc1ccc(N2C[C@H]3COC[C@@]3(C(=O)NCCc3ccccc3)C2)nc1)C1CC1 ZINC001164849305 720817068 /nfs/dbraw/zinc/81/70/68/720817068.db2.gz FLCDFXCFGKYLTD-OFVILXPXSA-N 0 3 420.557 2.488 20 0 HEADHN COC(=O)c1ccc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164869961 721056647 /nfs/dbraw/zinc/05/66/47/721056647.db2.gz USSQXPXTZZXMAJ-WOJBJXKFSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164870492 721057124 /nfs/dbraw/zinc/05/71/24/721057124.db2.gz WCHPWJPPFGZRMR-MOPGFXCFSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1ccc2c(c1)ncnc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870494 721057663 /nfs/dbraw/zinc/05/76/63/721057663.db2.gz WCHPWJPPFGZRMR-OALUTQOASA-N 0 3 419.485 2.291 20 0 HEADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)C[C@H]3C2)cn1 ZINC001164770471 721090329 /nfs/dbraw/zinc/09/03/29/721090329.db2.gz QMNYVYDSAYPNCB-IAGOWNOFSA-N 0 3 406.490 2.093 20 0 HEADHN CCOC(=O)c1ccc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164762702 721135373 /nfs/dbraw/zinc/13/53/73/721135373.db2.gz DHXQXOZHRDYTGF-MOPGFXCFSA-N 0 3 420.517 2.498 20 0 HEADHN COC(=O)CSc1cccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164771896 721180655 /nfs/dbraw/zinc/18/06/55/721180655.db2.gz RUBKIIAXLFOJQO-IRXDYDNUSA-N 0 3 401.536 2.039 20 0 HEADHN COC(=O)CSc1cccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164771894 721181716 /nfs/dbraw/zinc/18/17/16/721181716.db2.gz RUBKIIAXLFOJQO-DLBZAZTESA-N 0 3 401.536 2.039 20 0 HEADHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]2C1 ZINC001164879537 721309818 /nfs/dbraw/zinc/30/98/18/721309818.db2.gz NIDLWTUHPGDDOW-BGYRXZFFSA-N 0 3 412.559 2.434 20 0 HEADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@@H]3C2)nc1)C1CC1 ZINC001164791870 721482506 /nfs/dbraw/zinc/48/25/06/721482506.db2.gz KCXIVWGSULWLBA-UFYCRDLUSA-N 0 3 400.523 2.071 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CNCC3)[C@H]2CCCO[C@@H]12 ZINC001164795699 721526682 /nfs/dbraw/zinc/52/66/82/721526682.db2.gz RSKITCGAZXEYKB-IPMKNSEASA-N 0 3 414.941 2.039 20 0 HEADHN CCOC(=O)Cc1cnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164906951 721539022 /nfs/dbraw/zinc/53/90/22/721539022.db2.gz MAPYLXZOFLHAMD-MJGOQNOKSA-N 0 3 400.454 2.063 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909905 721542545 /nfs/dbraw/zinc/54/25/45/721542545.db2.gz SKNKAVDENGCRTN-UKRRQHHQSA-N 0 3 402.857 2.459 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncccc4CN4CCCC4)C[C@H]32)cc1 ZINC001165020474 721797055 /nfs/dbraw/zinc/79/70/55/721797055.db2.gz FTGPOMWFMGDRLU-FGZHOGPDSA-N 0 3 422.529 2.302 20 0 HEADHN CCCNC(=O)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972824 722140769 /nfs/dbraw/zinc/14/07/69/722140769.db2.gz ATVHWMGRCNJMEU-PZJWPPBQSA-N 0 3 409.534 2.344 20 0 HEADHN COc1ccccc1COC1CCN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000769713127 1078532316 /nfs/dbraw/zinc/53/23/16/1078532316.db2.gz VRWAKLRKCMUWAZ-QUCCMNQESA-N 0 3 403.523 2.249 20 0 HEADHN NC(=O)[C@@H]1CC[C@H](CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2ccc(CF)cc2)O1 ZINC001109541660 1078584936 /nfs/dbraw/zinc/58/49/36/1078584936.db2.gz FRZOGLMHRMDDPF-SLHNCBLASA-N 0 3 403.498 2.191 20 0 HEADHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000769830574 1078592453 /nfs/dbraw/zinc/59/24/53/1078592453.db2.gz RLSQDHAHPABFFI-IEBWSBKVSA-N 0 3 414.531 2.088 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000745861607 1078676400 /nfs/dbraw/zinc/67/64/00/1078676400.db2.gz CTZPPTLPPCHLNY-CRAIPNDOSA-N 0 3 416.488 2.312 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCN(c3ccc(C)cc3)CC2)CC1 ZINC000745863213 1078678237 /nfs/dbraw/zinc/67/82/37/1078678237.db2.gz SVIQGQSCJSIBMT-NRFANRHFSA-N 0 3 401.599 2.490 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2)CC1 ZINC000745888312 1078678991 /nfs/dbraw/zinc/67/89/91/1078678991.db2.gz VIRPHISPKSXPQT-FQEVSTJZSA-N 0 3 415.582 2.159 20 0 HEADHN C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)[C@H](c1ccccc1)N(C)C ZINC000770046449 1078703495 /nfs/dbraw/zinc/70/34/95/1078703495.db2.gz GSFVYAQIPSNVGR-DNVCBOLYSA-N 0 3 405.520 2.485 20 0 HEADHN COC(=O)c1ccc(OC[C@@H](O)CN(C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000745945202 1078709685 /nfs/dbraw/zinc/70/96/85/1078709685.db2.gz SSJGDLOGQNFFQO-IRXDYDNUSA-N 0 3 408.495 2.154 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1 ZINC000746036214 1078738044 /nfs/dbraw/zinc/73/80/44/1078738044.db2.gz MFIJSFLSMGDIQK-CABCVRRESA-N 0 3 417.901 2.178 20 0 HEADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)C1 ZINC000746046122 1078756728 /nfs/dbraw/zinc/75/67/28/1078756728.db2.gz UVPGBFXXWCDFFQ-AWEZNQCLSA-N 0 3 410.971 2.290 20 0 HEADHN Cc1cc(C)c(N2C[C@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2=O)c(C)c1 ZINC000770172178 1078768433 /nfs/dbraw/zinc/76/84/33/1078768433.db2.gz GRASXZOMXJNLPD-VQTJNVASSA-N 0 3 400.567 2.107 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000770171680 1078766757 /nfs/dbraw/zinc/76/67/57/1078766757.db2.gz CQEDKTGZDBMLAQ-ZTBDEIDFSA-N 0 3 412.578 2.081 20 0 HEADHN Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)CCC2=O)cc1C ZINC000770171495 1078767130 /nfs/dbraw/zinc/76/71/30/1078767130.db2.gz BIYRFONXHSZMLO-PMACEKPBSA-N 0 3 400.567 2.189 20 0 HEADHN Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)CCN3CCN(C)CC3)CCC2=O)cc1C ZINC000770171498 1078767207 /nfs/dbraw/zinc/76/72/07/1078767207.db2.gz BIYRFONXHSZMLO-VQTJNVASSA-N 0 3 400.567 2.189 20 0 HEADHN Cc1ncccc1CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170013397 1078767356 /nfs/dbraw/zinc/76/73/56/1078767356.db2.gz GKGKJXOLNMAZOA-IRXDYDNUSA-N 0 3 406.552 2.391 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000770172103 1078767876 /nfs/dbraw/zinc/76/78/76/1078767876.db2.gz FXMWMIYRFDZPMT-UYAOXDASSA-N 0 3 418.582 2.437 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000770173658 1078769053 /nfs/dbraw/zinc/76/90/53/1078769053.db2.gz IDCYWJYPXSYUCX-AGLBCWCQSA-N 0 3 417.291 2.040 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)NCc3cccnc3-n3ccnc3)CC2)c1 ZINC000746117215 1078795091 /nfs/dbraw/zinc/79/50/91/1078795091.db2.gz WCMLTVNJFDZWHF-UHFFFAOYSA-N 0 3 404.518 2.404 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 ZINC000746133644 1078801778 /nfs/dbraw/zinc/80/17/78/1078801778.db2.gz HLVLJEWBXBRHGL-NRFANRHFSA-N 0 3 407.514 2.138 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000770288536 1078809274 /nfs/dbraw/zinc/80/92/74/1078809274.db2.gz AZTZCAJKYZKZPA-GHTZIAJQSA-N 0 3 416.566 2.215 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCC[C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000770288545 1078809324 /nfs/dbraw/zinc/80/93/24/1078809324.db2.gz AZTZCAJKYZKZPA-RXVVDRJESA-N 0 3 416.566 2.215 20 0 HEADHN CCCN(C)CC(=O)NCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000746171559 1078809728 /nfs/dbraw/zinc/80/97/28/1078809728.db2.gz BXWGZZMGEIMDKU-SFQUDFHCSA-N 0 3 421.519 2.198 20 0 HEADHN CCCN1CCN(c2ccc(NC(=O)CN3CCN(CC)CC3)cc2Cl)CC1 ZINC000746160238 1078812924 /nfs/dbraw/zinc/81/29/24/1078812924.db2.gz YUPIEAGAUZGRMW-UHFFFAOYSA-N 0 3 407.990 2.448 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CC1=O ZINC000746164907 1078813295 /nfs/dbraw/zinc/81/32/95/1078813295.db2.gz KFYXTTIGDXUPSR-AEFFLSMTSA-N 0 3 422.367 2.393 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CC1=O ZINC000746164915 1078813325 /nfs/dbraw/zinc/81/33/25/1078813325.db2.gz KFYXTTIGDXUPSR-SJLPKXTDSA-N 0 3 422.367 2.393 20 0 HEADHN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746225929 1078826535 /nfs/dbraw/zinc/82/65/35/1078826535.db2.gz NPBVDKZJULKVLW-UXHICEINSA-N 0 3 419.566 2.461 20 0 HEADHN O=Cc1ccc(OC(F)(F)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000746220072 1078825240 /nfs/dbraw/zinc/82/52/40/1078825240.db2.gz RJZJZLYOGFECBD-GOSISDBHSA-N 0 3 404.413 2.006 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000770361942 1078830446 /nfs/dbraw/zinc/83/04/46/1078830446.db2.gz LVSXLNBRBIAOOV-IAGOWNOFSA-N 0 3 403.527 2.029 20 0 HEADHN Cc1ccc(CN[C@@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)cn1 ZINC001170014396 1078842697 /nfs/dbraw/zinc/84/26/97/1078842697.db2.gz PLYOBKREFWACCW-SJORKVTESA-N 0 3 406.552 2.391 20 0 HEADHN CN(C[C@@H]1CCCCO1)CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000746505256 1078848588 /nfs/dbraw/zinc/84/85/88/1078848588.db2.gz GAGQMMMQGGUYKQ-SIKLNZKXSA-N 0 3 400.523 2.031 20 0 HEADHN C[C@H](CNC(=O)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000746321581 1078858059 /nfs/dbraw/zinc/85/80/59/1078858059.db2.gz KSNJHYJUAOBNGC-QMMLZNLJSA-N 0 3 406.546 2.307 20 0 HEADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC000045570637 1078863166 /nfs/dbraw/zinc/86/31/66/1078863166.db2.gz GNCBIHBVLRNWOA-HXUWFJFHSA-N 0 3 406.486 2.305 20 0 HEADHN CN(C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746358522 1078874323 /nfs/dbraw/zinc/87/43/23/1078874323.db2.gz CLRFTKVFOPLOSH-RBBKRZOGSA-N 0 3 419.529 2.230 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000770595814 1078900872 /nfs/dbraw/zinc/90/08/72/1078900872.db2.gz OLWKKKWBCYTOSB-UTKZUKDTSA-N 0 3 406.546 2.307 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Br)c(Cl)c1 ZINC000746407241 1078903352 /nfs/dbraw/zinc/90/33/52/1078903352.db2.gz PPNRDRMIUXCRHO-NEPJUHHUSA-N 0 3 416.703 2.020 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc2oc(N(C)C)nc2c1 ZINC000766355560 1078910943 /nfs/dbraw/zinc/91/09/43/1078910943.db2.gz UKZQFPACYIMTBG-UHFFFAOYSA-N 0 3 423.517 2.465 20 0 HEADHN CCCCCCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)C1 ZINC000770607237 1078914189 /nfs/dbraw/zinc/91/41/89/1078914189.db2.gz PDRKDVBRNFJNNO-UXHICEINSA-N 0 3 409.619 2.131 20 0 HEADHN CCC[C@H]1CN(Cn2nc(C(=O)OC)c(Br)c2C)CCN1CCOC ZINC000766379533 1078928942 /nfs/dbraw/zinc/92/89/42/1078928942.db2.gz MQHRLWCIJNZCEW-AWEZNQCLSA-N 0 3 417.348 2.131 20 0 HEADHN COC(=O)C[C@@]1(NCc2cc(Br)c3c(c2)OCCO3)CCCOC1 ZINC000770676012 1078929486 /nfs/dbraw/zinc/92/94/86/1078929486.db2.gz GZLNRDNVOXAMBW-KRWDZBQOSA-N 0 3 400.269 2.422 20 0 HEADHN CCC[C@H]1CN(Cn2ncn(-c3ccc(OC)nc3)c2=S)CCN1CCOC ZINC000766383392 1078933766 /nfs/dbraw/zinc/93/37/66/1078933766.db2.gz YNMXPNQIURDUIX-KRWDZBQOSA-N 0 3 406.556 2.197 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)CC1 ZINC000770654265 1078940237 /nfs/dbraw/zinc/94/02/37/1078940237.db2.gz GGXNQPATJGOISU-LPHOPBHVSA-N 0 3 405.564 2.098 20 0 HEADHN CNC(=O)c1nn(CN2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c(=O)c2ccccc21 ZINC000766373252 1078941142 /nfs/dbraw/zinc/94/11/42/1078941142.db2.gz FPJPODADPQJHHP-MSOLQXFVSA-N 0 3 419.529 2.308 20 0 HEADHN Cc1nn(CN2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374816 1078941792 /nfs/dbraw/zinc/94/17/92/1078941792.db2.gz JIIWLFASQIMBLU-IAGOWNOFSA-N 0 3 416.595 2.363 20 0 HEADHN CCC[C@H]1CN(Cn2ncn(CCc3ccccn3)c2=S)CCN1CCOC ZINC000766377440 1078945340 /nfs/dbraw/zinc/94/53/40/1078945340.db2.gz CSFZBJCTIXIYTM-IBGZPJMESA-N 0 3 404.584 2.442 20 0 HEADHN CCC[C@@H]1CN(Cn2ncn(CCc3ccccn3)c2=S)CCN1CCOC ZINC000766377441 1078945537 /nfs/dbraw/zinc/94/55/37/1078945537.db2.gz CSFZBJCTIXIYTM-LJQANCHMSA-N 0 3 404.584 2.442 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCC[C@@H]3c3cc(C)on3)c2)CC1 ZINC000770726476 1078951682 /nfs/dbraw/zinc/95/16/82/1078951682.db2.gz YOTPKSVMMMHDMY-HXUWFJFHSA-N 0 3 411.506 2.427 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000770730232 1078955589 /nfs/dbraw/zinc/95/55/89/1078955589.db2.gz FZZQGMDNQBCNBK-UHFFFAOYSA-N 0 3 405.449 2.105 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)N(C)Cc1ccccc1 ZINC000766435896 1079003542 /nfs/dbraw/zinc/00/35/42/1079003542.db2.gz BVPXYROLYBTNHN-CYBMUJFWSA-N 0 3 405.296 2.419 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](O)c3ccccc3)c2)CC1 ZINC000770749246 1079004416 /nfs/dbraw/zinc/00/44/16/1079004416.db2.gz LXLBECNRIGQXFJ-PGRDOPGGSA-N 0 3 424.545 2.395 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)N[C@H](CCO)c3cccs3)c2)CC1 ZINC000770752159 1079006142 /nfs/dbraw/zinc/00/61/42/1079006142.db2.gz RAQISDWDNRJSDV-GOSISDBHSA-N 0 3 416.547 2.068 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)Nc3cnn(C)c3C3CC3)c2)CC1 ZINC000770779223 1079010734 /nfs/dbraw/zinc/01/07/34/1079010734.db2.gz WQOZYOAACKYGCR-UHFFFAOYSA-N 0 3 410.522 2.405 20 0 HEADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)Nc3cnn(C)c3C3CC3)cc2)CC1 ZINC000770782079 1079012908 /nfs/dbraw/zinc/01/29/08/1079012908.db2.gz MSHSJLVXYPIHFR-UHFFFAOYSA-N 0 3 410.522 2.012 20 0 HEADHN CN(CCCN1CCN(C)CC1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000746462125 1079014022 /nfs/dbraw/zinc/01/40/22/1079014022.db2.gz KCVRKOAGWTWKSE-UHFFFAOYSA-N 0 3 423.561 2.447 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000770802895 1079025222 /nfs/dbraw/zinc/02/52/22/1079025222.db2.gz RQOSZNOTAVVECK-MRXNPFEDSA-N 0 3 421.973 2.021 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(CCN2CCCS2(=O)=O)C1 ZINC000746476163 1079030089 /nfs/dbraw/zinc/03/00/89/1079030089.db2.gz RSKJSJYDWVYJDD-IAGOWNOFSA-N 0 3 401.573 2.133 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)CC2)c1 ZINC000770859582 1079042440 /nfs/dbraw/zinc/04/24/40/1079042440.db2.gz VJGLBBJDKNYTGY-GGAORHGYSA-N 0 3 411.546 2.108 20 0 HEADHN C[C@@H]1C[C@@H](N2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168843929 1079051319 /nfs/dbraw/zinc/05/13/19/1079051319.db2.gz AUMRZHMPZMAIGK-RHQZKXFESA-N 0 3 423.554 2.418 20 0 HEADHN C[C@H]1C[C@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)CN1C(=O)OC(C)(C)C ZINC001168855079 1079053604 /nfs/dbraw/zinc/05/36/04/1079053604.db2.gz IRPLTXGHPZWCBK-VPAKFMSCSA-N 0 3 423.554 2.275 20 0 HEADHN COC(CNC(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1)(OC)c1ccccc1 ZINC001168844359 1079059875 /nfs/dbraw/zinc/05/98/75/1079059875.db2.gz YRDOKFCIIRMLGZ-UHFFFAOYSA-N 0 3 412.490 2.179 20 0 HEADHN CCS(=O)(=O)c1ccc(CN[C@@H]2CCN(Cc3ccc(OC)cc3)C(=O)C2)cn1 ZINC001168881149 1079067944 /nfs/dbraw/zinc/06/79/44/1079067944.db2.gz ODDSOZHCWLHEGC-GOSISDBHSA-N 0 3 417.531 2.165 20 0 HEADHN COc1ccc(CN2CC[C@@H](NCc3ccc4c(c3)N(C)C(=O)CO4)CC2=O)cc1 ZINC001168914468 1079074738 /nfs/dbraw/zinc/07/47/38/1079074738.db2.gz CZUXRWHCMJOMFS-GOSISDBHSA-N 0 3 409.486 2.331 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(CCc4ccccn4)CC3)CC2=O)cc1 ZINC001168939142 1079080569 /nfs/dbraw/zinc/08/05/69/1079080569.db2.gz FZPJLWFKKGHLSC-QFIPXVFZSA-N 0 3 408.546 2.442 20 0 HEADHN COC(=O)c1cn([C@@H]2CCCN(CCCN(C(=O)OC(C)(C)C)C3CC3)C2)nn1 ZINC001168957673 1079091676 /nfs/dbraw/zinc/09/16/76/1079091676.db2.gz GJXXDFPCJOVTFS-MRXNPFEDSA-N 0 3 407.515 2.491 20 0 HEADHN Cc1ccc(F)c(CN[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)c1F ZINC001169162187 1079171009 /nfs/dbraw/zinc/17/10/09/1079171009.db2.gz JUPCYPOGGPPLPN-CQSZACIVSA-N 0 3 419.476 2.369 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000771165953 1079181311 /nfs/dbraw/zinc/18/13/11/1079181311.db2.gz OOEPLIIWOACQOP-QWVSSGJLSA-N 0 3 406.474 2.462 20 0 HEADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCC[C@@H]1c1nccs1 ZINC001169207653 1079195591 /nfs/dbraw/zinc/19/55/91/1079195591.db2.gz LEXKFUQPSHDLPC-HUUCEWRRSA-N 0 3 416.551 2.286 20 0 HEADHN CC(C)[NH+]1CCC(N2CCN(Cn3[n-]c(-c4ccccn4)nc3=S)CC2)CC1 ZINC000771174870 1079208921 /nfs/dbraw/zinc/20/89/21/1079208921.db2.gz NSKZJUAQQZWREB-UHFFFAOYSA-N 0 3 401.584 2.451 20 0 HEADHN CCOC(=O)c1sc2[nH]c([C@H](C)N[C@@H]3CCC[C@H]3C(=O)NC)nc(=O)c2c1C ZINC001169274074 1079215126 /nfs/dbraw/zinc/21/51/26/1079215126.db2.gz WUACMDAFWBTHIA-QJPTWQEYSA-N 0 3 406.508 2.035 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCO[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]3C2)CO1 ZINC001169375130 1079246085 /nfs/dbraw/zinc/24/60/85/1079246085.db2.gz UMNUWLCNACGHHG-VSZNYVQBSA-N 0 3 412.527 2.055 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510732 1079252582 /nfs/dbraw/zinc/25/25/82/1079252582.db2.gz FDMWMRXJPMUDPP-HCXYKTFWSA-N 0 3 423.602 2.100 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)CO1 ZINC001169386210 1079257526 /nfs/dbraw/zinc/25/75/26/1079257526.db2.gz LJRKSDDMMGIDDP-VXCLMFOKSA-N 0 3 406.523 2.302 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)NCc3ccc(-n4cncn4)nc3)c2)CC1 ZINC000771274637 1079262519 /nfs/dbraw/zinc/26/25/19/1079262519.db2.gz WTHVCJRSQREVQY-UHFFFAOYSA-N 0 3 406.494 2.126 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC3(CC2)c2ccccc2N(CCOC)C3=O)CO1 ZINC001169396149 1079268644 /nfs/dbraw/zinc/26/86/44/1079268644.db2.gz KYSRUKRSFJDNDJ-XLIONFOSSA-N 0 3 416.518 2.124 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N2CCOC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)CO1 ZINC001169397379 1079269534 /nfs/dbraw/zinc/26/95/34/1079269534.db2.gz MOHRLXBLMMBBFW-QKNQBKEWSA-N 0 3 423.579 2.087 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)CO1 ZINC001169397976 1079270203 /nfs/dbraw/zinc/27/02/03/1079270203.db2.gz PCDMQBPVTGMPOT-RDJZCZTQSA-N 0 3 408.520 2.057 20 0 HEADHN CCCNC(=O)c1ccc(O[C@H]2CCN([C@@H]3CC[C@H](C(=O)OCC)OC3)C2)cc1 ZINC001169416238 1079276539 /nfs/dbraw/zinc/27/65/39/1079276539.db2.gz BCBLITSGKKJUTR-YZGWKJHDSA-N 0 3 404.507 2.390 20 0 HEADHN CCN(CC)C(=O)C[C@H](C)N1CCN(c2ncnc3cc(OC)c(OC)cc32)CC1 ZINC001169477415 1079303766 /nfs/dbraw/zinc/30/37/66/1079303766.db2.gz AFPCZJMDNFEHDH-INIZCTEOSA-N 0 3 415.538 2.416 20 0 HEADHN CCN(CC)C(=O)C[C@@H](C)n1nc(C(=O)N(C)Cc2ccccn2)c2c1CCNC2 ZINC001169468488 1079308992 /nfs/dbraw/zinc/30/89/92/1079308992.db2.gz XDNDNWHUDHTEPJ-MRXNPFEDSA-N 0 3 412.538 2.016 20 0 HEADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@@H]3C[C@H]4CCC[C@H]4O3)C2)C(=O)C1 ZINC001169475562 1079313252 /nfs/dbraw/zinc/31/32/52/1079313252.db2.gz ZUNNKIVSBCDKEI-AKHDSKFASA-N 0 3 407.555 2.488 20 0 HEADHN CC(=O)N1CC[C@H](N([C@H](c2ccccc2)[C@H](N)c2ccccc2)S(C)(=O)=O)C1 ZINC001169525332 1079323334 /nfs/dbraw/zinc/32/33/34/1079323334.db2.gz BNPPSFBLXKXTJV-PWRODBHTSA-N 0 3 401.532 2.310 20 0 HEADHN Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)NCCCN2CCc3ccccc3C2)cn1 ZINC000766757564 1079337741 /nfs/dbraw/zinc/33/77/41/1079337741.db2.gz NIDODZFLHMNMGT-VXKWHMMOSA-N 0 3 411.550 2.466 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)cc2)CC1 ZINC000771445207 1079346900 /nfs/dbraw/zinc/34/69/00/1079346900.db2.gz WYVOAIBZDIJJSA-UHFFFAOYSA-N 0 3 421.505 2.357 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCN4CCOc5cccc3c54)cc2)CC1 ZINC000771467543 1079348555 /nfs/dbraw/zinc/34/85/55/1079348555.db2.gz PJEGOAKFVWEJLW-UHFFFAOYSA-N 0 3 421.545 2.486 20 0 HEADHN CCNc1nc(NC(C)(C)C)nc(N2Cc3c(OC)ccc(OC)c3[C@H](O)C2)n1 ZINC000804333363 1079366446 /nfs/dbraw/zinc/36/64/46/1079366446.db2.gz YYPCMVAGJUVPOE-CYBMUJFWSA-N 0 3 402.499 2.007 20 0 HEADHN CC(C)(C)OC(=O)N1CCC([C@H](O)CN[C@]2(CO)CCOc3ccccc32)CC1 ZINC001169699203 1079379377 /nfs/dbraw/zinc/37/93/77/1079379377.db2.gz XMCCMBHETSODFR-GCJKJVERSA-N 0 3 406.523 2.254 20 0 HEADHN O=Cc1ccc(OCC(=O)NC2CCN([C@H]3CCOC3)CC2)c(Br)c1 ZINC000771582920 1079380525 /nfs/dbraw/zinc/38/05/25/1079380525.db2.gz OAGOIDFIULCABY-HNNXBMFYSA-N 0 3 411.296 2.010 20 0 HEADHN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000771583929 1079381094 /nfs/dbraw/zinc/38/10/94/1079381094.db2.gz WSLJGPNQUKVQEC-XIRDDKMYSA-N 0 3 411.543 2.116 20 0 HEADHN O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)O[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771599628 1079392573 /nfs/dbraw/zinc/39/25/73/1079392573.db2.gz MCPKCFNHQLFWGI-MRXNPFEDSA-N 0 3 424.469 2.451 20 0 HEADHN CC(C)c1ccc(N2CC[C@@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)C2=O)cc1 ZINC000771657470 1079428309 /nfs/dbraw/zinc/42/83/09/1079428309.db2.gz NGTGYVHCBABKOR-NQIIRXRSSA-N 0 3 400.567 2.305 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 ZINC000771663242 1079432262 /nfs/dbraw/zinc/43/22/62/1079432262.db2.gz JDOGWTGRQSKYTL-UHFFFAOYSA-N 0 3 418.563 2.028 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771755526 1079484959 /nfs/dbraw/zinc/48/49/59/1079484959.db2.gz FOUARNOBRXPWEV-MJGOQNOKSA-N 0 3 404.555 2.252 20 0 HEADHN CN1CCN(CCCNC(=O)[C@H](NC(=O)OCc2ccccc2)c2ccccc2)CC1 ZINC000737772896 1075927788 /nfs/dbraw/zinc/92/77/88/1075927788.db2.gz MXTZEAFMEJMGIO-JOCHJYFZSA-N 0 3 424.545 2.408 20 0 HEADHN Cc1oc(-c2ccccc2F)nc1C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000737829415 1075934084 /nfs/dbraw/zinc/93/40/84/1075934084.db2.gz CAVBQIOHKRFSKI-QGZVFWFLSA-N 0 3 402.470 2.462 20 0 HEADHN CN(C)Cc1ccccc1CNS(=O)(=O)CCNC(=O)OCc1ccccc1 ZINC000771722423 1079490957 /nfs/dbraw/zinc/49/09/57/1079490957.db2.gz MYHUSOSTQYKCBB-UHFFFAOYSA-N 0 3 405.520 2.094 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2[nH]c(/C=C/c3ccccc3)nc2=S)CC1 ZINC000738160617 1075970806 /nfs/dbraw/zinc/97/08/06/1075970806.db2.gz KKZMBVBEUGAMFF-CMDGGOBGSA-N 0 3 412.563 2.309 20 0 HEADHN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CN3CCC(N4CN=NC4=O)CC3)C2)CC1 ZINC001169962263 1079496764 /nfs/dbraw/zinc/49/67/64/1079496764.db2.gz GCGAIFDMGQVXKL-KRWDZBQOSA-N 0 3 421.542 2.427 20 0 HEADHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739090304 1076043658 /nfs/dbraw/zinc/04/36/58/1076043658.db2.gz UAOXECFPZXERGP-FGTMMUONSA-N 0 3 402.539 2.229 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1)N(C)Cc1ccccc1 ZINC000739091270 1076043964 /nfs/dbraw/zinc/04/39/64/1076043964.db2.gz YBGCLEJQHOWDPN-OALUTQOASA-N 0 3 424.545 2.487 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)cc1 ZINC000739116751 1076045506 /nfs/dbraw/zinc/04/55/06/1076045506.db2.gz AVOHRRWGEAPHIP-GOSISDBHSA-N 0 3 414.550 2.327 20 0 HEADHN O=C(Nc1cccc(N2CCOC2=O)c1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739119692 1076046448 /nfs/dbraw/zinc/04/64/48/1076046448.db2.gz MIKXFSNXJUGDKQ-UHFFFAOYSA-N 0 3 400.479 2.059 20 0 HEADHN CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000740770233 1076235953 /nfs/dbraw/zinc/23/59/53/1076235953.db2.gz IEEGKTPCFKTDNB-RTBURBONSA-N 0 3 409.621 2.471 20 0 HEADHN C[C@@H]1CN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740885224 1076284870 /nfs/dbraw/zinc/28/48/70/1076284870.db2.gz ZDBKFLJGGPQSSZ-INMHGKMJSA-N 0 3 408.495 2.390 20 0 HEADHN C[C@@](O)(CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1ccsc1 ZINC000740907082 1076287254 /nfs/dbraw/zinc/28/72/54/1076287254.db2.gz JEXCDRJWNDLOHJ-JOCHJYFZSA-N 0 3 416.591 2.463 20 0 HEADHN Cc1nc(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)c2ccccn12 ZINC000741213185 1076406259 /nfs/dbraw/zinc/40/62/59/1076406259.db2.gz BNAGPWZITQQQRW-UHFFFAOYSA-N 0 3 405.502 2.398 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)CCO1 ZINC000741267041 1076436689 /nfs/dbraw/zinc/43/66/89/1076436689.db2.gz PYFWDPWEISWCIR-DLBZAZTESA-N 0 3 409.552 2.495 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H](O)c2ccc(C)o2)CC1 ZINC000741267899 1076437422 /nfs/dbraw/zinc/43/74/22/1076437422.db2.gz DGGAUHCWEXIOME-HXUWFJFHSA-N 0 3 400.523 2.258 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3ccc(C)o3)cc2)CC1 ZINC000741269389 1076438487 /nfs/dbraw/zinc/43/84/87/1076438487.db2.gz JONCKKSBYRYMLJ-HXUWFJFHSA-N 0 3 400.523 2.258 20 0 HEADHN COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000741330750 1076479041 /nfs/dbraw/zinc/47/90/41/1076479041.db2.gz QTDSJKSPQNLSQR-KRWDZBQOSA-N 0 3 416.518 2.242 20 0 HEADHN COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000741330753 1076479127 /nfs/dbraw/zinc/47/91/27/1076479127.db2.gz QTDSJKSPQNLSQR-QGZVFWFLSA-N 0 3 416.518 2.242 20 0 HEADHN CON(C)C(=O)c1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000741396926 1076510088 /nfs/dbraw/zinc/51/00/88/1076510088.db2.gz VCINWGXOXKTURQ-JOCHJYFZSA-N 0 3 412.490 2.079 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1cccc(CN2CCOC2=O)c1 ZINC000741391600 1076519468 /nfs/dbraw/zinc/51/94/68/1076519468.db2.gz OCQNENQQFFPBOG-HSZRJFAPSA-N 0 3 424.501 2.397 20 0 HEADHN COC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1)C(C)C ZINC000741610482 1076565377 /nfs/dbraw/zinc/56/53/77/1076565377.db2.gz CMSHDOLTEHAKLC-MSOLQXFVSA-N 0 3 404.511 2.172 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CCN(c4cccc(O)c4)CC3)cc2)CC1 ZINC000741695113 1076581987 /nfs/dbraw/zinc/58/19/87/1076581987.db2.gz GMXXNWAWFAAROH-UHFFFAOYSA-N 0 3 423.561 2.295 20 0 HEADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)Cc1ccccc1 ZINC000766280006 1076672131 /nfs/dbraw/zinc/67/21/31/1076672131.db2.gz QPYZDLNJDDBVHS-HNNXBMFYSA-N 0 3 405.296 2.072 20 0 HEADHN COc1ccc(C(=O)N(CCc2ccccc2)CCN(C)C)cc1N1CCNC1=O ZINC000742046791 1076716695 /nfs/dbraw/zinc/71/66/95/1076716695.db2.gz BRIBUGOMRLAQGY-UHFFFAOYSA-N 0 3 410.518 2.471 20 0 HEADHN COc1ccc(OCc2nn(CN3CCN(CC(C)(C)O)CC3)c(=S)o2)cc1 ZINC000742150366 1076766596 /nfs/dbraw/zinc/76/65/96/1076766596.db2.gz DGBFZXHTWCHMKG-UHFFFAOYSA-N 0 3 408.524 2.139 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2[nH]c(-c3cc(F)cc(F)c3)nc2=S)CC1 ZINC000742151535 1076767337 /nfs/dbraw/zinc/76/73/37/1076767337.db2.gz IXFHOUPYRHVSTM-UHFFFAOYSA-N 0 3 422.505 2.083 20 0 HEADHN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CN2CC[C@H](N3CC=CC3)C2)C1=O ZINC000742162835 1076772703 /nfs/dbraw/zinc/77/27/03/1076772703.db2.gz KESMOMUHCSCTGR-LPHOPBHVSA-N 0 3 419.323 2.120 20 0 HEADHN CC(C)N1CCN(c2ccc(C(=O)N3CCN(C4=NC[C@@H](C)S4)CC3)cc2)CC1 ZINC000742190807 1076779071 /nfs/dbraw/zinc/77/90/71/1076779071.db2.gz JWQFUTXUVPURTF-GOSISDBHSA-N 0 3 415.607 2.466 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@@H](S(=O)(=O)NCCCN2CCCC2)C1 ZINC000742272235 1076807637 /nfs/dbraw/zinc/80/76/37/1076807637.db2.gz VJZIZAZOFYVHLE-LJQANCHMSA-N 0 3 409.552 2.193 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)n(C)c1 ZINC000742397079 1076834101 /nfs/dbraw/zinc/83/41/01/1076834101.db2.gz LLSFXDUIFLCHJN-HXUWFJFHSA-N 0 3 420.579 2.397 20 0 HEADHN CSC1(CNCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2Cl)CCOCC1 ZINC000742378794 1076834988 /nfs/dbraw/zinc/83/49/88/1076834988.db2.gz YWBCRKXTICOBBM-CYBMUJFWSA-N 0 3 407.989 2.206 20 0 HEADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000742658178 1076861239 /nfs/dbraw/zinc/86/12/39/1076861239.db2.gz KNRDHDXCHYPFHD-FQEVSTJZSA-N 0 3 418.582 2.391 20 0 HEADHN C[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CCN1Cc1ccccc1 ZINC000742961884 1076909015 /nfs/dbraw/zinc/90/90/15/1076909015.db2.gz YNDLPIWHFUZOJA-AVRDEDQJSA-N 0 3 419.529 2.230 20 0 HEADHN CC(C)[C@@H](CNC(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1)N1CCN(C)CC1 ZINC000743171373 1076987431 /nfs/dbraw/zinc/98/74/31/1076987431.db2.gz QPQANZJQOWBTIE-GHTZIAJQSA-N 0 3 403.571 2.305 20 0 HEADHN CCN1CCN(c2ccc(C(=O)NC[C@H](O)c3cc(OC)cc(OC)c3)cc2)CC1 ZINC000743456666 1077053156 /nfs/dbraw/zinc/05/31/56/1077053156.db2.gz JYWKSWCMRNZEPL-QFIPXVFZSA-N 0 3 413.518 2.309 20 0 HEADHN Cc1c(C(=O)NC[C@@H](C)CC2(C)OCCO2)nnn1-c1cccc2c1CCN(C)C2 ZINC000743488723 1077060057 /nfs/dbraw/zinc/06/00/57/1077060057.db2.gz HJZJAQQZXPIEFB-HNNXBMFYSA-N 0 3 413.522 2.083 20 0 HEADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@@](C)(O)c3ccco3)cc2)CC1 ZINC000743547869 1077067051 /nfs/dbraw/zinc/06/70/51/1077067051.db2.gz KRCNSYAXPJTAML-JOCHJYFZSA-N 0 3 400.523 2.124 20 0 HEADHN Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000743764174 1077117972 /nfs/dbraw/zinc/11/79/72/1077117972.db2.gz AOEPMLHOHIFARH-QHCPKHFHSA-N 0 3 406.486 2.253 20 0 HEADHN O=C(CCN1CCc2c(cccc2N2CCOC2=O)C1)NC(=O)NCc1ccccc1 ZINC000743857689 1077144236 /nfs/dbraw/zinc/14/42/36/1077144236.db2.gz KRRYKVLQISOFSB-UHFFFAOYSA-N 0 3 422.485 2.417 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000743914337 1077192041 /nfs/dbraw/zinc/19/20/41/1077192041.db2.gz NTPVBCDVRFXABK-FCHUYYIVSA-N 0 3 423.513 2.321 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1)N1CCCCC1 ZINC000743896049 1077208371 /nfs/dbraw/zinc/20/83/71/1077208371.db2.gz ZJRZQOMTGUYBHU-INIZCTEOSA-N 0 3 403.523 2.500 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000743897144 1077209225 /nfs/dbraw/zinc/20/92/25/1077209225.db2.gz NMARJZPIWNEWDU-HOCLYGCPSA-N 0 3 402.495 2.127 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCSCC2)cc1)N1CCC(C)CC1 ZINC000743899367 1077211915 /nfs/dbraw/zinc/21/19/15/1077211915.db2.gz TVSCKXPXYXDWTL-KRWDZBQOSA-N 0 3 404.580 2.415 20 0 HEADHN CN(C)C1(CNC(=O)C(=O)Nc2c(F)cccc2-n2cccn2)Cc2ccccc2C1 ZINC000743923922 1077248910 /nfs/dbraw/zinc/24/89/10/1077248910.db2.gz GVOJAJRMISDBRM-UHFFFAOYSA-N 0 3 421.476 2.165 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CC[C@@H](SC)C3)c(C)c2)CC1 ZINC000743969638 1077273812 /nfs/dbraw/zinc/27/38/12/1077273812.db2.gz XCRSULFRWCTWRF-FUHWJXTLSA-N 0 3 404.580 2.476 20 0 HEADHN COC(=O)c1cc(NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)ccc1F ZINC000743971987 1077275863 /nfs/dbraw/zinc/27/58/63/1077275863.db2.gz FYGTWRBQCPLIQF-KRWDZBQOSA-N 0 3 413.449 2.284 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000743978701 1077291522 /nfs/dbraw/zinc/29/15/22/1077291522.db2.gz NGZYDCMDAPXFCH-KRWDZBQOSA-N 0 3 400.523 2.098 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 ZINC000743977915 1077292026 /nfs/dbraw/zinc/29/20/26/1077292026.db2.gz AQSKUTRHORPFBW-ZDUSSCGKSA-N 0 3 409.412 2.430 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)nn2)cc1 ZINC000743978837 1077292119 /nfs/dbraw/zinc/29/21/19/1077292119.db2.gz PMOBCJHMIBLKAB-CYBMUJFWSA-N 0 3 403.870 2.461 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000743979631 1077292610 /nfs/dbraw/zinc/29/26/10/1077292610.db2.gz UZWVSGZBLNCWSJ-GDBMZVCRSA-N 0 3 409.914 2.437 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1OCc1ccncc1 ZINC000743979173 1077292964 /nfs/dbraw/zinc/29/29/64/1077292964.db2.gz SYEZSHYSTZUCOF-INIZCTEOSA-N 0 3 412.490 2.208 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H]1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000744398590 1077374770 /nfs/dbraw/zinc/37/47/70/1077374770.db2.gz UUNLFJSCGPIJAW-CYBMUJFWSA-N 0 3 410.902 2.367 20 0 HEADHN COC(=O)CCCc1nc(COC(=O)C2CCN(c3cccc(Cl)c3)C2=O)no1 ZINC000745428881 1077823882 /nfs/dbraw/zinc/82/38/82/1077823882.db2.gz ACVTVIRQFCUVJG-CQSZACIVSA-N 0 3 421.837 2.315 20 0 HEADHN CC(C)n1cncc1CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170033142 1079532212 /nfs/dbraw/zinc/53/22/12/1079532212.db2.gz WBQQKBYMNYQLHD-RDJZCZTQSA-N 0 3 423.583 2.465 20 0 HEADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)N[C@@H](CO)C2CC2)c1 ZINC000771806026 1079539279 /nfs/dbraw/zinc/53/92/79/1079539279.db2.gz HOCGSADKFVSKLE-PXAZEXFGSA-N 0 3 417.959 2.058 20 0 HEADHN Cc1cc(NC(=S)NCC(=O)N(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000771848056 1079549372 /nfs/dbraw/zinc/54/93/72/1079549372.db2.gz GRXFMTNIGCUOJD-KRWDZBQOSA-N 0 3 400.552 2.013 20 0 HEADHN C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766973446 1079569226 /nfs/dbraw/zinc/56/92/26/1079569226.db2.gz IWUXVBUCYYCGFQ-GUYCJALGSA-N 0 3 412.458 2.376 20 0 HEADHN CNC(=O)COc1cccc(CC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)c1 ZINC000772032902 1079658246 /nfs/dbraw/zinc/65/82/46/1079658246.db2.gz MPFVMRBRXLBRNF-UNMCSNQZSA-N 0 3 407.514 2.497 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCC3(COC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170038962 1079718681 /nfs/dbraw/zinc/71/86/81/1079718681.db2.gz PDRJULBZWAMGAT-CVEARBPZSA-N 0 3 411.568 2.010 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCN(C3CCC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170039765 1079758857 /nfs/dbraw/zinc/75/88/57/1079758857.db2.gz VQEYVGKZTWDWLJ-ROUUACIJSA-N 0 3 424.611 2.067 20 0 HEADHN CN(C(=O)Nc1ccc(N2CCOCC2)cn1)C1CCN(CCc2ccccn2)CC1 ZINC000772399188 1079839076 /nfs/dbraw/zinc/83/90/76/1079839076.db2.gz YAXPZMYLSSNPNA-UHFFFAOYSA-N 0 3 424.549 2.484 20 0 HEADHN COC(=O)C1=C(CN(C)CCCn2ccnc2C)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000767448990 1079875460 /nfs/dbraw/zinc/87/54/60/1079875460.db2.gz JZJRTUFNEIEEHW-FQEVSTJZSA-N 0 3 411.506 2.337 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCC([C@H](O)c4nccn4C)CC3)cc2)CC1 ZINC000772578284 1079937041 /nfs/dbraw/zinc/93/70/41/1079937041.db2.gz RSRGJIXYPNUBCH-NRFANRHFSA-N 0 3 411.550 2.148 20 0 HEADHN C[C@H](CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000772605373 1080004405 /nfs/dbraw/zinc/00/44/05/1080004405.db2.gz QKGGEIFTPVVHNQ-IEBWSBKVSA-N 0 3 423.602 2.053 20 0 HEADHN CCO[C@H]1CCCN([C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170047712 1080059519 /nfs/dbraw/zinc/05/95/19/1080059519.db2.gz HBPAKGRNMZRTFT-ULQDDVLXSA-N 0 3 413.584 2.398 20 0 HEADHN COc1cc(S(=O)(=O)NCC2(N3CCC(OC)CC3)CCCC2)cnc1Cl ZINC000767758195 1080073182 /nfs/dbraw/zinc/07/31/82/1080073182.db2.gz GDQQPTCNNJTGDI-UHFFFAOYSA-N 0 3 417.959 2.446 20 0 HEADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@H](O)c1ccc(F)cc1 ZINC000767780390 1080084956 /nfs/dbraw/zinc/08/49/56/1080084956.db2.gz RRZPWIPCHHICES-QFIPXVFZSA-N 0 3 414.525 2.366 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2F)CC1=O ZINC000785643701 1080092257 /nfs/dbraw/zinc/09/22/57/1080092257.db2.gz ANNDXNXPZPONEN-OFQRWUPVSA-N 0 3 408.445 2.412 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)ccc2OC)CC1=O ZINC000785652143 1080105026 /nfs/dbraw/zinc/10/50/26/1080105026.db2.gz XJJKQCAFOJRZSA-SJORKVTESA-N 0 3 402.491 2.062 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2cccc(OC(F)F)c2)CC1=O ZINC000785651903 1080106694 /nfs/dbraw/zinc/10/66/94/1080106694.db2.gz HQPGOLRHWJTQDZ-HOTGVXAUSA-N 0 3 424.444 2.347 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)COc2ccc(Cl)cc2)CC1=O ZINC000785656205 1080175509 /nfs/dbraw/zinc/17/55/09/1080175509.db2.gz SZKYKGAPZONYFK-RDJZCZTQSA-N 0 3 422.909 2.164 20 0 HEADHN COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785723652 1080200069 /nfs/dbraw/zinc/20/00/69/1080200069.db2.gz SFSRJZDMFPOAIG-CPNJWEJPSA-N 0 3 418.515 2.419 20 0 HEADHN COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)c1cccc(CN2CCCC2)c1 ZINC000785723653 1080200138 /nfs/dbraw/zinc/20/01/38/1080200138.db2.gz SFSRJZDMFPOAIG-UYRXBGFRSA-N 0 3 418.515 2.419 20 0 HEADHN O=C(OCCN1C(=O)c2ccccc2S1(=O)=O)c1cccc(CN2CCCC2)c1 ZINC000785711951 1080220910 /nfs/dbraw/zinc/22/09/10/1080220910.db2.gz DOSXJFLWZHTOGZ-UHFFFAOYSA-N 0 3 414.483 2.284 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)N3CC[C@H](N4CCCC4)C3)C[C@@H](C1)C2=O ZINC000767948350 1080237869 /nfs/dbraw/zinc/23/78/69/1080237869.db2.gz MSWUBHDYGVJIGM-FBVQUNGASA-N 0 3 405.539 2.145 20 0 HEADHN NC(=O)C1CCN(Cc2cccc(NC(=O)[C@]3(O)CCc4ccccc4C3)c2)CC1 ZINC000785881553 1080273673 /nfs/dbraw/zinc/27/36/73/1080273673.db2.gz MHITVFLJVRWTKQ-DEOSSOPVSA-N 0 3 407.514 2.242 20 0 HEADHN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@H](CN(C)C)Oc2ccccc21 ZINC000768033043 1080276598 /nfs/dbraw/zinc/27/65/98/1080276598.db2.gz ZODDJZGTXUOYDI-HOTGVXAUSA-N 0 3 407.511 2.272 20 0 HEADHN CCN1CCN(Cc2ccccc2CNC(=O)[C@@]2(O)CCc3ccccc3C2)CC1 ZINC000785852225 1080281790 /nfs/dbraw/zinc/28/17/90/1080281790.db2.gz RKHNYZQXAXOFPY-RUZDIDTESA-N 0 3 407.558 2.360 20 0 HEADHN O=C(C[C@H](O)c1cccc(F)c1)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000772674226 1080298619 /nfs/dbraw/zinc/29/86/19/1080298619.db2.gz BDIJCNQLBQPFFK-NRFANRHFSA-N 0 3 413.493 2.391 20 0 HEADHN O=C(CCN1CCC(Oc2cnccn2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000785897439 1080299014 /nfs/dbraw/zinc/29/90/14/1080299014.db2.gz LMURDJXIPSTEOJ-UHFFFAOYSA-N 0 3 409.490 2.241 20 0 HEADHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)N(C)C ZINC000786025509 1080340227 /nfs/dbraw/zinc/34/02/27/1080340227.db2.gz PIYOEEAUTFBLFX-OXJNMPFZSA-N 0 3 410.518 2.443 20 0 HEADHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(-n2ccnc2)nc1)N(C)C ZINC000786026173 1080340791 /nfs/dbraw/zinc/34/07/91/1080340791.db2.gz SIWGKOADMICUNH-UZLBHIALSA-N 0 3 406.490 2.322 20 0 HEADHN C[C@@H](N[C@@H](C)C(=O)NCc1ccco1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000768217492 1080420655 /nfs/dbraw/zinc/42/06/55/1080420655.db2.gz MLCKFWDVQLDNTP-UWVAXJGDSA-N 0 3 415.490 2.300 20 0 HEADHN CC(C)(C)OC(=O)NCCN(CCO)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000768247366 1080437990 /nfs/dbraw/zinc/43/79/90/1080437990.db2.gz HNKKRMPTLDIELJ-LJQANCHMSA-N 0 3 420.554 2.180 20 0 HEADHN C[C@H]1C[C@@H](NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)CN1Cc1ccccc1 ZINC000768398290 1080524520 /nfs/dbraw/zinc/52/45/20/1080524520.db2.gz MQFDSXARYRXJBD-PKOBYXMFSA-N 0 3 420.554 2.178 20 0 HEADHN CS(=O)(=O)c1cc(C(=O)Nc2cccc(CN3CCC(O)CC3)c2)ccc1F ZINC000786278714 1080525290 /nfs/dbraw/zinc/52/52/90/1080525290.db2.gz GSKBFMXADFNBFE-UHFFFAOYSA-N 0 3 406.479 2.438 20 0 HEADHN CNS(=O)(=O)c1cc(C(=O)OCC2CCN(Cc3ccco3)CC2)ccc1OC ZINC000772688760 1080829417 /nfs/dbraw/zinc/82/94/17/1080829417.db2.gz GZOPFKILSJUMJS-UHFFFAOYSA-N 0 3 422.503 2.265 20 0 HEADHN Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000786803425 1080835026 /nfs/dbraw/zinc/83/50/26/1080835026.db2.gz DPRFJSAJVMXIHD-INIZCTEOSA-N 0 3 402.520 2.154 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)cc2)CC1 ZINC000768928898 1080862952 /nfs/dbraw/zinc/86/29/52/1080862952.db2.gz LKSSVLUDVRQOIU-QHCPKHFHSA-N 0 3 421.501 2.135 20 0 HEADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3ccc(CO)o3)C2)CC1 ZINC000769026470 1080889006 /nfs/dbraw/zinc/88/90/06/1080889006.db2.gz WFGQGCYSWDPKPJ-INIZCTEOSA-N 0 3 407.511 2.063 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000769000039 1080895724 /nfs/dbraw/zinc/89/57/24/1080895724.db2.gz ALPOUEDIKSKTDS-CHWSQXEVSA-N 0 3 410.400 2.271 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000786974373 1080896741 /nfs/dbraw/zinc/89/67/41/1080896741.db2.gz ZSDGWIRONSEQNN-QGZVFWFLSA-N 0 3 404.555 2.467 20 0 HEADHN CN1CCN(CCCNC(=O)c2ncc(Br)cn2)[C@@H](c2ccccc2)C1 ZINC000786994864 1080906665 /nfs/dbraw/zinc/90/66/65/1080906665.db2.gz IWKJLDYOVQKXPB-QGZVFWFLSA-N 0 3 418.339 2.348 20 0 HEADHN CC(C)(C)OC(=O)c1ccccc1OCCN1CCN(C(=O)CN2CCCC2)CC1 ZINC000769215297 1081005060 /nfs/dbraw/zinc/00/50/60/1081005060.db2.gz GPHVVFSBERLGEO-UHFFFAOYSA-N 0 3 417.550 2.261 20 0 HEADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000769269520 1081023746 /nfs/dbraw/zinc/02/37/46/1081023746.db2.gz ZKNXKDZYLCJMFP-FQEVSTJZSA-N 0 3 420.517 2.479 20 0 HEADHN CCCN(Cc1cnc(N2CCN(C)CC2)nc1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769331625 1081044974 /nfs/dbraw/zinc/04/49/74/1081044974.db2.gz USFKOKHHGVXEIK-LJQANCHMSA-N 0 3 418.586 2.450 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1c[nH]nc1-c1cccnc1 ZINC000769332215 1081045294 /nfs/dbraw/zinc/04/52/94/1081045294.db2.gz IZEKDEYBXTZXJT-UHFFFAOYSA-N 0 3 400.527 2.456 20 0 HEADHN Cn1ccnc1[C@H](O)C1CCN(Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000769434567 1081073398 /nfs/dbraw/zinc/07/33/98/1081073398.db2.gz NCDBZJGYXPBQEJ-JOCHJYFZSA-N 0 3 412.534 2.271 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000787279586 1081088861 /nfs/dbraw/zinc/08/88/61/1081088861.db2.gz MXURNOWQVHSWPO-KRWDZBQOSA-N 0 3 404.555 2.467 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1ccnc(OCc2ccccc2)c1)N1CCCCC1 ZINC000787280741 1081089271 /nfs/dbraw/zinc/08/92/71/1081089271.db2.gz QWXDZYZYUBZRJL-SFHVURJKSA-N 0 3 410.518 2.267 20 0 HEADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787290936 1081094733 /nfs/dbraw/zinc/09/47/33/1081094733.db2.gz BZXZJGCALQHMDJ-HNNXBMFYSA-N 0 3 401.841 2.409 20 0 HEADHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599805 1081137567 /nfs/dbraw/zinc/13/75/67/1081137567.db2.gz OHAZSRBIZAOTNL-DOTOQJQBSA-N 0 3 411.543 2.459 20 0 HEADHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)C1 ZINC000769599805 1081137575 /nfs/dbraw/zinc/13/75/75/1081137575.db2.gz OHAZSRBIZAOTNL-DOTOQJQBSA-N 0 3 411.543 2.459 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1cc(COC)nc(-c3ccccc3)n1)CC2 ZINC001164682521 719701106 /nfs/dbraw/zinc/70/11/06/719701106.db2.gz FJJJRAAHQUWKIF-UHFFFAOYSA-N 0 3 409.534 2.471 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ncccc1C(=O)NC1CCCCC1)CC2 ZINC001164686246 719702759 /nfs/dbraw/zinc/70/27/59/719702759.db2.gz YKBGEQHJHQHTTL-UHFFFAOYSA-N 0 3 413.566 2.325 20 0 HEADHN CCOC(=O)c1c(C)nc(Cl)cc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164683107 719709813 /nfs/dbraw/zinc/70/98/13/719709813.db2.gz IMQQLRYVCVCIEK-UHFFFAOYSA-N 0 3 408.930 2.401 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)cc(-c3ccncc3)n1)CC2 ZINC001164689843 719752610 /nfs/dbraw/zinc/75/26/10/719752610.db2.gz LMQCIZYZNRZUSQ-UHFFFAOYSA-N 0 3 400.914 2.373 20 0 HEADHN COC(=O)C1CCN(c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)CC1 ZINC001164722097 720405744 /nfs/dbraw/zinc/40/57/44/720405744.db2.gz BWWPDEHTHITKEY-PMACEKPBSA-N 0 3 422.533 2.114 20 0 HEADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2n1 ZINC001164742546 720707784 /nfs/dbraw/zinc/70/77/84/720707784.db2.gz VNMLAPCNVWZZLM-KBPBESRZSA-N 0 3 412.881 2.424 20 0 HEADHN COC(=O)c1cc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164741906 720727933 /nfs/dbraw/zinc/72/79/33/720727933.db2.gz NIJVSYGEGGNQRQ-IAGOWNOFSA-N 0 3 405.458 2.153 20 0 HEADHN CN(C)c1ccc(-c2ccnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164741816 720741172 /nfs/dbraw/zinc/74/11/72/720741172.db2.gz NCCIFJAHEIXTEY-PMACEKPBSA-N 0 3 417.517 2.342 20 0 HEADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2)CC1 ZINC001164746920 720759276 /nfs/dbraw/zinc/75/92/76/720759276.db2.gz YYCBGPDXBVWCTA-WOJBJXKFSA-N 0 3 422.533 2.086 20 0 HEADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)CC1 ZINC001164744741 720759367 /nfs/dbraw/zinc/75/93/67/720759367.db2.gz SIOPTOCWQXXFSJ-MOPGFXCFSA-N 0 3 422.533 2.086 20 0 HEADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CCN3C2)c1 ZINC001164866814 721059975 /nfs/dbraw/zinc/05/99/75/721059975.db2.gz FXGUZNWPCULWCR-MSOLQXFVSA-N 0 3 419.485 2.276 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cccn3C)[C@@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164763670 721067584 /nfs/dbraw/zinc/06/75/84/721067584.db2.gz GOBOTTLLJXYWIO-IPJJNNNSSA-N 0 3 409.534 2.181 20 0 HEADHN COC(=O)c1ccc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164763691 721089038 /nfs/dbraw/zinc/08/90/38/721089038.db2.gz GRCXNJFVFQDVDC-ZWKOTPCHSA-N 0 3 406.490 2.108 20 0 HEADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865369 721088994 /nfs/dbraw/zinc/08/89/94/721088994.db2.gz KKYMUAGOHYMWCQ-RTBURBONSA-N 0 3 423.517 2.405 20 0 HEADHN COC(=O)/C=C/c1cc(C)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880963 721122655 /nfs/dbraw/zinc/12/26/55/721122655.db2.gz YIUSZKAYWWNQME-GFXBWGLESA-N 0 3 408.502 2.451 20 0 HEADHN COC(=O)c1cc2c(OC)[nH]c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)cc-2n1 ZINC001164769872 721124504 /nfs/dbraw/zinc/12/45/04/721124504.db2.gz PSDUMQYZGZQVSV-CVEARBPZSA-N 0 3 424.505 2.050 20 0 HEADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1 ZINC001164880747 721164171 /nfs/dbraw/zinc/16/41/71/721164171.db2.gz XLZRJRWFHAJSID-UXHICEINSA-N 0 3 422.533 2.024 20 0 HEADHN COC(=O)CSc1cccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164771897 721182381 /nfs/dbraw/zinc/18/23/81/721182381.db2.gz RUBKIIAXLFOJQO-SJORKVTESA-N 0 3 401.536 2.039 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164890891 721378653 /nfs/dbraw/zinc/37/86/53/721378653.db2.gz OWNYUTGUZVWQLE-UGKGYDQZSA-N 0 3 402.587 2.371 20 0 HEADHN CCN(C)c1cc(C)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164887862 721378992 /nfs/dbraw/zinc/37/89/92/721378992.db2.gz IRBLOXYCBNOUPG-UGKGYDQZSA-N 0 3 402.587 2.007 20 0 HEADHN CN(Cc1ccc(N2C[C@@H](NC(=O)c3cccnc3)[C@@H]3OCCC[C@H]3C2)nc1)C1CC1 ZINC001164786095 721381713 /nfs/dbraw/zinc/38/17/13/721381713.db2.gz SLPDFEHJCSVHFY-XKCSPQBFSA-N 0 3 421.545 2.485 20 0 HEADHN COC(OC)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@H](CN1CCN(C)CC1)O2 ZINC001164898762 721426729 /nfs/dbraw/zinc/42/67/29/721426729.db2.gz WWUGFEJUJUJTMI-AUSIDOKSSA-N 0 3 418.582 2.447 20 0 HEADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164900145 721525860 /nfs/dbraw/zinc/52/58/60/721525860.db2.gz OPBGXXCJRUZACM-GOEBONIOSA-N 0 3 420.872 2.327 20 0 HEADHN COC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900147 721526505 /nfs/dbraw/zinc/52/65/05/721526505.db2.gz OPBGXXCJRUZACM-ZBFHGGJFSA-N 0 3 420.872 2.327 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCNC3)[C@H]2CCCO[C@@H]12 ZINC001164803673 721535720 /nfs/dbraw/zinc/53/57/20/721535720.db2.gz IRUXBHUJYAKYCB-IPMKNSEASA-N 0 3 414.941 2.039 20 0 HEADHN COC(=O)CSc1cncc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909667 721558536 /nfs/dbraw/zinc/55/85/36/721558536.db2.gz UNUYALASVZOFKR-DOTOQJQBSA-N 0 3 418.494 2.223 20 0 HEADHN CN(Cc1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)nc1)C1CC1 ZINC001165049944 721981280 /nfs/dbraw/zinc/98/12/80/721981280.db2.gz PLACVIMXYYEDGZ-OAQYLSRUSA-N 0 3 408.502 2.164 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cscn3)[C@H]3OCCC[C@H]32)nc1)C1CC1 ZINC001164953830 722001804 /nfs/dbraw/zinc/00/18/04/722001804.db2.gz ZWZFNUPQZXBNOV-ILZDJORESA-N 0 3 413.547 2.299 20 0 HEADHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@@H]21 ZINC001164969348 722081031 /nfs/dbraw/zinc/08/10/31/722081031.db2.gz JDYDWYQNAPLQIC-FSSWDIPSSA-N 0 3 408.550 2.390 20 0 HEADHN COc1ccc2c(ccnc2N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c1 ZINC001164998099 722231231 /nfs/dbraw/zinc/23/12/31/722231231.db2.gz XKTHUKYNIPWVNY-UHFFFAOYSA-N 0 3 404.518 2.390 20 0 HEADHN CON(C)S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(C(C)C)C2)ccc1Cl ZINC000769658258 1078494784 /nfs/dbraw/zinc/49/47/84/1078494784.db2.gz XFOYURCGSSFCHC-AWEZNQCLSA-N 0 3 403.932 2.125 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000745622533 1078562773 /nfs/dbraw/zinc/56/27/73/1078562773.db2.gz NEKGBPOXFNRHGU-SFHVURJKSA-N 0 3 410.518 2.101 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)Nc1ccccc1C(N)=O)C1CCCC1 ZINC000769921010 1078636530 /nfs/dbraw/zinc/63/65/30/1078636530.db2.gz UKAAETIWNBOUCE-KRWDZBQOSA-N 0 3 404.511 2.397 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000745781403 1078640290 /nfs/dbraw/zinc/64/02/90/1078640290.db2.gz NXPRLNHRYGIFST-QZTJIDSGSA-N 0 3 417.554 2.277 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000745780765 1078640902 /nfs/dbraw/zinc/64/09/02/1078640902.db2.gz VEMNDDNHCIMUHU-OALUTQOASA-N 0 3 415.582 2.447 20 0 HEADHN C[C@H](C(=O)N1CCC(C(N)=O)CC1)N1CCC(CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000769943865 1078647711 /nfs/dbraw/zinc/64/77/11/1078647711.db2.gz SNTYWEXNHHVBJZ-MRXNPFEDSA-N 0 3 424.586 2.068 20 0 HEADHN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000745803815 1078654055 /nfs/dbraw/zinc/65/40/55/1078654055.db2.gz WMSWHNSWWBMPQK-ZIAGYGMSSA-N 0 3 413.421 2.021 20 0 HEADHN C[C@@H](CNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1)CN1CCN(C)CC1 ZINC000745861209 1078676558 /nfs/dbraw/zinc/67/65/58/1078676558.db2.gz AMYLJNDSNKAKCJ-LAUBAEHRSA-N 0 3 406.546 2.164 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)NCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC000745863534 1078677621 /nfs/dbraw/zinc/67/76/21/1078677621.db2.gz WPFORRFVQCVUFL-HNNXBMFYSA-N 0 3 416.492 2.085 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000745861756 1078677686 /nfs/dbraw/zinc/67/76/86/1078677686.db2.gz FFQUGYHGZWQKFZ-FPOVZHCZSA-N 0 3 415.582 2.063 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000745861755 1078677753 /nfs/dbraw/zinc/67/77/53/1078677753.db2.gz FFQUGYHGZWQKFZ-CTNGQTDRSA-N 0 3 415.582 2.063 20 0 HEADHN CNc1ncc(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)s1 ZINC000770037882 1078699671 /nfs/dbraw/zinc/69/96/71/1078699671.db2.gz BGRDMWBQYMZKDC-UHFFFAOYSA-N 0 3 402.520 2.385 20 0 HEADHN CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)n(C)c1 ZINC000770050322 1078704971 /nfs/dbraw/zinc/70/49/71/1078704971.db2.gz QESCQSWTVHCVIA-OXJNMPFZSA-N 0 3 420.579 2.477 20 0 HEADHN C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)[C@H](c1ccccc1)N(C)C ZINC000770050420 1078705392 /nfs/dbraw/zinc/70/53/92/1078705392.db2.gz REYPAQKPFIXDFB-AUUYWEPGSA-N 0 3 407.511 2.497 20 0 HEADHN C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)[C@@H](c1ccccc1)N(C)C ZINC000770053328 1078706735 /nfs/dbraw/zinc/70/67/35/1078706735.db2.gz ZHBZHZHENTYAOU-LYAKXMMSSA-N 0 3 420.513 2.188 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCCC(=O)OC(C)(C)C)cc2)CC1 ZINC000746045575 1078754939 /nfs/dbraw/zinc/75/49/39/1078754939.db2.gz PMVWADPXKBJBSH-UHFFFAOYSA-N 0 3 418.538 2.005 20 0 HEADHN COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000746049465 1078758193 /nfs/dbraw/zinc/75/81/93/1078758193.db2.gz QARQQWGFDIPBAI-VBKZILBWSA-N 0 3 408.520 2.338 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000770171674 1078766787 /nfs/dbraw/zinc/76/67/87/1078766787.db2.gz CQEDKTGZDBMLAQ-GWQNQTGSSA-N 0 3 412.578 2.081 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)/C=C\c1ccc(I)o1 ZINC000770173664 1078769229 /nfs/dbraw/zinc/76/92/29/1078769229.db2.gz IDCYWJYPXSYUCX-RYWCDNDXSA-N 0 3 417.291 2.040 20 0 HEADHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000770175542 1078770475 /nfs/dbraw/zinc/77/04/75/1078770475.db2.gz XKMYHRKFEMWSDE-QUCCMNQESA-N 0 3 404.555 2.080 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1ccc(F)cc1OC1CCCC1 ZINC000770274695 1078802609 /nfs/dbraw/zinc/80/26/09/1078802609.db2.gz QMMRFNQLKHFRKX-DOTOQJQBSA-N 0 3 405.470 2.065 20 0 HEADHN CN(C)Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c1 ZINC000746122155 1078797269 /nfs/dbraw/zinc/79/72/69/1078797269.db2.gz RKMXBZFQAJVGOU-UHFFFAOYSA-N 0 3 418.450 2.497 20 0 HEADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000770333933 1078815887 /nfs/dbraw/zinc/81/58/87/1078815887.db2.gz APTKYNOGZIUYBK-XLIONFOSSA-N 0 3 403.527 2.131 20 0 HEADHN CC(C)(C)OC(=O)N[C@H](C(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C(C)(C)C ZINC000746219920 1078824922 /nfs/dbraw/zinc/82/49/22/1078824922.db2.gz PMVPXLKARIYCRA-RTBURBONSA-N 0 3 419.566 2.461 20 0 HEADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000746219946 1078824982 /nfs/dbraw/zinc/82/49/82/1078824982.db2.gz QSVLUEUSDJHPIQ-HXUWFJFHSA-N 0 3 408.527 2.310 20 0 HEADHN Cc1n[nH]cc1CN1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380106 1078834230 /nfs/dbraw/zinc/83/42/30/1078834230.db2.gz LKUCJDJJBVSSHB-WMZOPIPTSA-N 0 3 405.543 2.446 20 0 HEADHN Cc1n[nH]cc1CN1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000770380104 1078834358 /nfs/dbraw/zinc/83/43/58/1078834358.db2.gz LKUCJDJJBVSSHB-SJLPKXTDSA-N 0 3 405.543 2.446 20 0 HEADHN O=C(c1cccc2nccn21)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000770415147 1078845169 /nfs/dbraw/zinc/84/51/69/1078845169.db2.gz RBHGGGUEMOUDLX-LJQANCHMSA-N 0 3 404.518 2.404 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770420331 1078846574 /nfs/dbraw/zinc/84/65/74/1078846574.db2.gz ZTKZLAICSATXCD-WWDZGPRUSA-N 0 3 411.591 2.148 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](NC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000770523397 1078883969 /nfs/dbraw/zinc/88/39/69/1078883969.db2.gz PHYXDXWXSSGECP-SQNIBIBYSA-N 0 3 410.559 2.232 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000770590459 1078899458 /nfs/dbraw/zinc/89/94/58/1078899458.db2.gz NHJQGHVHXIEJPH-BBRMVZONSA-N 0 3 403.354 2.352 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000770589327 1078898623 /nfs/dbraw/zinc/89/86/23/1078898623.db2.gz HZVTUGLTUKZAJZ-QZTJIDSGSA-N 0 3 411.591 2.101 20 0 HEADHN CN(C(=O)NCc1ccc(-n2cncn2)nc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000746412774 1078906677 /nfs/dbraw/zinc/90/66/77/1078906677.db2.gz ALFVIVRBLQZWPN-HXUWFJFHSA-N 0 3 405.506 2.468 20 0 HEADHN C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)CN1CCN(C)CC1 ZINC000766355745 1078910923 /nfs/dbraw/zinc/91/09/23/1078910923.db2.gz QFDLREBUXACOAP-PZJWPPBQSA-N 0 3 416.566 2.035 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000770604508 1078913073 /nfs/dbraw/zinc/91/30/73/1078913073.db2.gz JPUAMLHLLONIJM-KURKYZTESA-N 0 3 411.591 2.052 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CCN1CCOC ZINC000766381187 1078930040 /nfs/dbraw/zinc/93/00/40/1078930040.db2.gz RRDPLVJEVPNPMW-KNQAVFIVSA-N 0 3 402.539 2.234 20 0 HEADHN CCC[C@@H]1CN(Cn2nc(-c3cnccn3)n(CC)c2=S)CCN1CCOC ZINC000766373291 1078940867 /nfs/dbraw/zinc/94/08/67/1078940867.db2.gz GDXOULXMEQNREI-MRXNPFEDSA-N 0 3 405.572 2.281 20 0 HEADHN CNC(=O)c1nn(CN2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c(=O)c2ccccc21 ZINC000766373258 1078941168 /nfs/dbraw/zinc/94/11/68/1078941168.db2.gz FPJPODADPQJHHP-ZWKOTPCHSA-N 0 3 419.529 2.308 20 0 HEADHN O=C(CCCN1CCN(c2ccccc2)CC1)N[C@@H](CO)C[C@H](O)c1ccccc1 ZINC000770849227 1079037559 /nfs/dbraw/zinc/03/75/59/1079037559.db2.gz HFDLEUPJRONOHS-GGAORHGYSA-N 0 3 411.546 2.190 20 0 HEADHN C[C@H]1C[C@H](N2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168843924 1079051352 /nfs/dbraw/zinc/05/13/52/1079051352.db2.gz AUMRZHMPZMAIGK-LTFXXXRZSA-N 0 3 423.554 2.418 20 0 HEADHN C[C@@H]1C[C@@H](N2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)CN1C(=O)OC(C)(C)C ZINC001168855082 1079053539 /nfs/dbraw/zinc/05/35/39/1079053539.db2.gz IRPLTXGHPZWCBK-ZSXDVEMLSA-N 0 3 423.554 2.275 20 0 HEADHN C[C@H]1C[C@H](N2C[C@@H](N3CCCC3=O)[C@H]3OCCC[C@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168849998 1079061662 /nfs/dbraw/zinc/06/16/62/1079061662.db2.gz MUEJTHWTZNGWMO-CBNQQXHVSA-N 0 3 407.555 2.486 20 0 HEADHN CN1CCC(NC(=O)c2ccc(N[C@@H]3CCCN(C(=O)c4ccccc4)C3)nn2)CC1 ZINC001168895113 1079063907 /nfs/dbraw/zinc/06/39/07/1079063907.db2.gz BBMHWJSSKBLLCG-LJQANCHMSA-N 0 3 422.533 2.017 20 0 HEADHN O=c1c2ccccc2ncn1CCc1noc([C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000770899630 1079069930 /nfs/dbraw/zinc/06/99/30/1079069930.db2.gz WYIALFQKEGDIHP-QHCPKHFHSA-N 0 3 417.469 2.116 20 0 HEADHN COc1ccc(CN2CC[C@H](N3CCN(c4cccc(OC)n4)CC3)CC2=O)cc1 ZINC001168950713 1079085301 /nfs/dbraw/zinc/08/53/01/1079085301.db2.gz ZCSJMZLDCYNIPM-IBGZPJMESA-N 0 3 410.518 2.412 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(c4ccc(OC)cn4)CC3)CC2=O)cc1 ZINC001168956517 1079090865 /nfs/dbraw/zinc/09/08/65/1079090865.db2.gz UVCSFFYLEAJQHS-LJQANCHMSA-N 0 3 410.518 2.412 20 0 HEADHN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN[C@H](CO)c2cnn(C)c2)cc1 ZINC001169043064 1079109245 /nfs/dbraw/zinc/10/92/45/1079109245.db2.gz CTBZSNJATSXFMY-VQIMIIECSA-N 0 3 404.511 2.360 20 0 HEADHN CC(C)[N@@H+]1CC[C@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@H](c2cnn(C)c2)C1 ZINC001169084515 1079133500 /nfs/dbraw/zinc/13/35/00/1079133500.db2.gz NGWQNICYDBSCHM-OALUTQOASA-N 0 3 412.538 2.314 20 0 HEADHN CC(C)[N@H+]1CC[C@H](C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)[C@H](c2cnn(C)c2)C1 ZINC001169084515 1079133505 /nfs/dbraw/zinc/13/35/05/1079133505.db2.gz NGWQNICYDBSCHM-OALUTQOASA-N 0 3 412.538 2.314 20 0 HEADHN COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2cccc(C)c2)C1 ZINC001169151051 1079167408 /nfs/dbraw/zinc/16/74/08/1079167408.db2.gz ZGCYFUQDOVYALO-ROUUACIJSA-N 0 3 419.522 2.142 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCC[C@H]1c1nccs1 ZINC001169207649 1079195681 /nfs/dbraw/zinc/19/56/81/1079195681.db2.gz LEXKFUQPSHDLPC-GJZGRUSLSA-N 0 3 416.551 2.286 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCc4ccc(F)cc4C3)cc2)CC1 ZINC000771241158 1079223336 /nfs/dbraw/zinc/22/33/36/1079223336.db2.gz ASMQGRJDHHRYEY-UHFFFAOYSA-N 0 3 410.493 2.491 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CO1 ZINC001169376918 1079246689 /nfs/dbraw/zinc/24/66/89/1079246689.db2.gz ZISNRHRGRHIQJM-IRXDYDNUSA-N 0 3 412.527 2.199 20 0 HEADHN CCOC(=O)[C@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCc4ccncc4)CO3)C2)CO1 ZINC001169383850 1079254722 /nfs/dbraw/zinc/25/47/22/1079254722.db2.gz CBEMNUASRRUONU-XAPVIXHLSA-N 0 3 404.507 2.332 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)CO1 ZINC001169390483 1079260045 /nfs/dbraw/zinc/26/00/45/1079260045.db2.gz VQHVVPIQEJVUJS-ZVVDCOBXSA-N 0 3 404.507 2.442 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)N[C@@H](CCSC)C(=O)N(C)OC)c2)CC1 ZINC000771272570 1079260839 /nfs/dbraw/zinc/26/08/39/1079260839.db2.gz MQFKUEWILAMDGP-SFHVURJKSA-N 0 3 423.583 2.092 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)NCC3N=NC(=S)N3C3CC3)c2)CC1 ZINC000771277099 1079265114 /nfs/dbraw/zinc/26/51/14/1079265114.db2.gz KGJQBYOYTOOVAD-UHFFFAOYSA-N 0 3 401.540 2.365 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC(C(=O)OC(C)(C)C)=NO1 ZINC001169542417 1079327315 /nfs/dbraw/zinc/32/73/15/1079327315.db2.gz VNQUSLUUXVAAQJ-LZQZEXGQSA-N 0 3 401.507 2.500 20 0 HEADHN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000771437944 1079343945 /nfs/dbraw/zinc/34/39/45/1079343945.db2.gz RXSQAHCMRGDYNH-IPMKNSEASA-N 0 3 405.539 2.289 20 0 HEADHN Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)NCC2(N3CCSCC3)CCCC2)cn1 ZINC000766761628 1079345101 /nfs/dbraw/zinc/34/51/01/1079345101.db2.gz OITCEFBMAUPBBS-MOPGFXCFSA-N 0 3 421.611 2.379 20 0 HEADHN CC(=O)N1CCC[C@@H](N2CCc3ccc(=O)n(Cc4csc(C)n4)c3CC2)C1 ZINC001169614856 1079352387 /nfs/dbraw/zinc/35/23/87/1079352387.db2.gz KAHIYYCMEVLOIF-LJQANCHMSA-N 0 3 400.548 2.073 20 0 HEADHN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CCN2CCc3ccccc3C2)C1=O ZINC000771601938 1079393256 /nfs/dbraw/zinc/39/32/56/1079393256.db2.gz PBSNUKWTIBKAOL-DEOSSOPVSA-N 0 3 420.513 2.409 20 0 HEADHN COc1cccc(CN2CCC(NC(=O)c3cnc4sc(C)cn4c3=O)CC2)c1 ZINC000771617867 1079400769 /nfs/dbraw/zinc/40/07/69/1079400769.db2.gz DXRFQVUZOQMOAQ-UHFFFAOYSA-N 0 3 412.515 2.467 20 0 HEADHN CCN1C[C@H]2CCN([C@@H]3CCCN(C(=O)c4ccccc4)C3)CC[C@H]2S1(=O)=O ZINC001169772269 1079407260 /nfs/dbraw/zinc/40/72/60/1079407260.db2.gz RKNNAGZPSGXBSD-VAMGGRTRSA-N 0 3 405.564 2.037 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 ZINC000771657484 1079428531 /nfs/dbraw/zinc/42/85/31/1079428531.db2.gz NLMJPYQTDWZJGK-HNNXBMFYSA-N 0 3 402.470 2.427 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 ZINC000771660337 1079429891 /nfs/dbraw/zinc/42/98/91/1079429891.db2.gz GLGIXUBFMCURKN-LJQANCHMSA-N 0 3 402.539 2.102 20 0 HEADHN CCc1ccc(N2C[C@H](C(=O)NC(C)(C)CCN3CCN(C)CC3)CC2=O)cc1 ZINC000771659679 1079430792 /nfs/dbraw/zinc/43/07/92/1079430792.db2.gz BBVDDTFEEPZOBE-LJQANCHMSA-N 0 3 400.567 2.134 20 0 HEADHN CC[C@H]1N(C2CCC(S(C)(=O)=O)CC2)CCC[C@]12CCC(=O)N2CCOC ZINC001169879844 1079453157 /nfs/dbraw/zinc/45/31/57/1079453157.db2.gz HKTILEOROFKWLF-ZZVGESKWSA-N 0 3 400.585 2.224 20 0 HEADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001169872194 1079464982 /nfs/dbraw/zinc/46/49/82/1079464982.db2.gz ICQMJWYJCOQTRD-MAUKXSAKSA-N 0 3 408.461 2.251 20 0 HEADHN CC(C)CN1C[C@H]2CN(CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CCN2C1=O ZINC001169934068 1079480934 /nfs/dbraw/zinc/48/09/34/1079480934.db2.gz WLOHPCCLMIWIFX-WUZYXKQASA-N 0 3 409.571 2.327 20 0 HEADHN CCN(C(=O)Nc1ccn(CCS(C)(=O)=O)n1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000771753822 1079484826 /nfs/dbraw/zinc/48/48/26/1079484826.db2.gz MNGRMYMCUMSBTL-GOSISDBHSA-N 0 3 419.551 2.056 20 0 HEADHN O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737959084 1075947855 /nfs/dbraw/zinc/94/78/55/1075947855.db2.gz JXYINYCTDCGXON-UHFFFAOYSA-N 0 3 409.527 2.357 20 0 HEADHN O=C(c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000737959084 1075947860 /nfs/dbraw/zinc/94/78/60/1075947860.db2.gz JXYINYCTDCGXON-UHFFFAOYSA-N 0 3 409.527 2.357 20 0 HEADHN C[C@H](c1ccccc1)n1cnn(CN2CCN(C(=O)CN3CCCC3)CC2)c1=S ZINC000738161816 1075971383 /nfs/dbraw/zinc/97/13/83/1075971383.db2.gz VFFYJMLXEXYXHW-GOSISDBHSA-N 0 3 414.579 2.221 20 0 HEADHN C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)Cc1cnn(-c2ccccc2)n1 ZINC000738306665 1075986938 /nfs/dbraw/zinc/98/69/38/1075986938.db2.gz XAJJQNPNLFGSOZ-CTNGQTDRSA-N 0 3 418.545 2.478 20 0 HEADHN COCCN1CC[C@@H](NC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CCCCC2)C1 ZINC000739006011 1076030301 /nfs/dbraw/zinc/03/03/01/1076030301.db2.gz OTCFVKMLSKVWCP-MSOLQXFVSA-N 0 3 412.575 2.480 20 0 HEADHN C[C@@](O)(CNC(=O)NCCCN1CCN(Cc2ccccc2)CC1)c1cccs1 ZINC000740034234 1076098118 /nfs/dbraw/zinc/09/81/18/1076098118.db2.gz UHZQBYUYMGQDDB-JOCHJYFZSA-N 0 3 416.591 2.463 20 0 HEADHN C[C@@H](CNC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)CN1CCN(C)CC1 ZINC000740756608 1076227618 /nfs/dbraw/zinc/22/76/18/1076227618.db2.gz NDPNUKFYZMNTDG-GBESFXJTSA-N 0 3 403.571 2.305 20 0 HEADHN C[C@H](CNC(=O)Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1)CN1CCN(C)CC1 ZINC000740756610 1076228038 /nfs/dbraw/zinc/22/80/38/1076228038.db2.gz NDPNUKFYZMNTDG-QRVBRYPASA-N 0 3 403.571 2.305 20 0 HEADHN C[C@H]1CN(CCC(=O)Nc2sccc2C(N)=O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000740883208 1076283091 /nfs/dbraw/zinc/28/30/91/1076283091.db2.gz HVRGLOREPODFTB-JSGCOSHPSA-N 0 3 410.540 2.411 20 0 HEADHN C[C@@H]1CN(C[C@H](O)COc2ccc3c(c2)OCO3)CC[C@H]1NC(=O)OC(C)(C)C ZINC000740885223 1076284832 /nfs/dbraw/zinc/28/48/32/1076284832.db2.gz ZDBKFLJGGPQSSZ-HLLBOEOZSA-N 0 3 408.495 2.390 20 0 HEADHN CC[C@H]1CN(C(=O)OCc2ccccc2)[C@@H](CC)CN1CCCC(=O)NC(N)=O ZINC000740888077 1076288834 /nfs/dbraw/zinc/28/88/34/1076288834.db2.gz MLARARQLEMONJC-ROUUACIJSA-N 0 3 404.511 2.473 20 0 HEADHN CCN1CC[C@H](N(C)S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)C[C@@H]1C ZINC000740893699 1076293343 /nfs/dbraw/zinc/29/33/43/1076293343.db2.gz BAONENQNNSWIRA-WMZOPIPTSA-N 0 3 409.552 2.142 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000741157833 1076389528 /nfs/dbraw/zinc/38/95/28/1076389528.db2.gz GEOUOIMHBPICAU-UXHICEINSA-N 0 3 421.563 2.191 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000741157832 1076389580 /nfs/dbraw/zinc/38/95/80/1076389580.db2.gz GEOUOIMHBPICAU-PMACEKPBSA-N 0 3 421.563 2.191 20 0 HEADHN COc1cc(CNC[C@@H](O)c2c(F)cccc2Cl)cc(OC)c1OCC(N)=O ZINC000741255489 1076445596 /nfs/dbraw/zinc/44/55/96/1076445596.db2.gz ZEXMAKGUYAEWGV-CQSZACIVSA-N 0 3 412.845 2.184 20 0 HEADHN O=C(OCCNS(=O)(=O)c1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000741328613 1076477802 /nfs/dbraw/zinc/47/78/02/1076477802.db2.gz DUVMBAPFPWAEAV-UHFFFAOYSA-N 0 3 402.516 2.420 20 0 HEADHN COC(=O)NCc1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000741394197 1076519882 /nfs/dbraw/zinc/51/98/82/1076519882.db2.gz OBSSDOBOOOILEH-QFIPXVFZSA-N 0 3 412.490 2.301 20 0 HEADHN CN1CCN(CCCNC(=O)CNC(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000742287696 1076816886 /nfs/dbraw/zinc/81/68/86/1076816886.db2.gz JBRJAXCQCVETNF-JOCHJYFZSA-N 0 3 424.545 2.408 20 0 HEADHN CN(CC[C@H]1CCCCN1C)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000742323191 1076823844 /nfs/dbraw/zinc/82/38/44/1076823844.db2.gz ZTTYIWVLPBZXDS-GOSISDBHSA-N 0 3 409.552 2.143 20 0 HEADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 ZINC000742396307 1076834268 /nfs/dbraw/zinc/83/42/68/1076834268.db2.gz AHFYVIBYGMUWNG-IBGZPJMESA-N 0 3 407.511 2.465 20 0 HEADHN CCOC(=O)C1C(CN2CCN(C3CC3)CC2)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC000742600198 1076854985 /nfs/dbraw/zinc/85/49/85/1076854985.db2.gz DJMRXWBMDGKVKZ-IBGZPJMESA-N 0 3 418.925 2.291 20 0 HEADHN CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)C1 ZINC000742867008 1076890022 /nfs/dbraw/zinc/89/00/22/1076890022.db2.gz GMCLGRKXHTYJCH-CYBMUJFWSA-N 0 3 415.506 2.209 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 ZINC000743174859 1076989062 /nfs/dbraw/zinc/98/90/62/1076989062.db2.gz VMRKQDMJDDMWIK-MOPGFXCFSA-N 0 3 403.571 2.307 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1ccn(CCc2ccncc2)n1 ZINC000743189019 1077002396 /nfs/dbraw/zinc/00/23/96/1077002396.db2.gz ZFFSEJBLJWGVEL-QHCPKHFHSA-N 0 3 420.517 2.279 20 0 HEADHN CCN1CCN(c2ccc(C(=O)N3CCN(C(=O)OCC(C)C)CC3)cc2)CC1 ZINC000743327961 1077029349 /nfs/dbraw/zinc/02/93/49/1077029349.db2.gz YOLLCTDPZPCKAC-UHFFFAOYSA-N 0 3 402.539 2.379 20 0 HEADHN CC[C@@H]1CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CCS1 ZINC000743399546 1077042834 /nfs/dbraw/zinc/04/28/34/1077042834.db2.gz BJXWVGRGJFGUBZ-NQIIRXRSSA-N 0 3 402.564 2.358 20 0 HEADHN C[C@@H](NC(=S)NC1CCN(Cc2ccccc2)CC1)C(=O)NCc1ccco1 ZINC000743586062 1077073190 /nfs/dbraw/zinc/07/31/90/1077073190.db2.gz UERXJBBVNCUNBA-MRXNPFEDSA-N 0 3 400.548 2.413 20 0 HEADHN C[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)Oc1ccc(Br)cc1 ZINC000743593457 1077077155 /nfs/dbraw/zinc/07/71/55/1077077155.db2.gz DDHHEBITGPLMTL-FRFSOERESA-N 0 3 412.328 2.379 20 0 HEADHN COCCN1CC[C@H](NC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000743626546 1077082544 /nfs/dbraw/zinc/08/25/44/1077082544.db2.gz LJEZRSCYJSDKHR-ZWKOTPCHSA-N 0 3 406.527 2.272 20 0 HEADHN CCN1CCN(CCC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000743717508 1077095756 /nfs/dbraw/zinc/09/57/56/1077095756.db2.gz GPUCXXVYYHLVPX-LJQANCHMSA-N 0 3 404.555 2.396 20 0 HEADHN CC(C)[C@H](CNC(=O)CCN1C(=S)N=NC1c1cccs1)N1CCN(C)CC1 ZINC000743740155 1077098877 /nfs/dbraw/zinc/09/88/77/1077098877.db2.gz REISGGJXDTZOAN-HNNXBMFYSA-N 0 3 422.624 2.074 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cccc1N1CCOC1=O ZINC000743882558 1077168114 /nfs/dbraw/zinc/16/81/14/1077168114.db2.gz ATGXITGFTBMBKI-GJZGRUSLSA-N 0 3 402.495 2.127 20 0 HEADHN Cc1c(NC(=O)C(=O)N(CCN(C)C)Cc2ccccc2)cccc1N1CCOC1=O ZINC000743888731 1077182308 /nfs/dbraw/zinc/18/23/08/1077182308.db2.gz BYNGOCJOIPXFDV-UHFFFAOYSA-N 0 3 424.501 2.481 20 0 HEADHN Cc1ccnc(Oc2cc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)ccc2C)c1 ZINC000743913978 1077192603 /nfs/dbraw/zinc/19/26/03/1077192603.db2.gz JFTNGHZESYITQH-OALUTQOASA-N 0 3 424.501 2.409 20 0 HEADHN Cc1c(NC(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cccc1N1CCOC1=O ZINC000743897482 1077208750 /nfs/dbraw/zinc/20/87/50/1077208750.db2.gz SAOCKNYATODSAW-CABCVRRESA-N 0 3 402.495 2.127 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000743897142 1077209644 /nfs/dbraw/zinc/20/96/44/1077209644.db2.gz NMARJZPIWNEWDU-GDBMZVCRSA-N 0 3 402.495 2.127 20 0 HEADHN Cc1c(NC(=O)C(=O)NCCN2[C@H](C)CCC[C@H]2C)cccc1N1CCOC1=O ZINC000743905594 1077217955 /nfs/dbraw/zinc/21/79/55/1077217955.db2.gz AMVHGWJMZQPFNI-HUUCEWRRSA-N 0 3 402.495 2.269 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000743939140 1077232323 /nfs/dbraw/zinc/23/23/23/1077232323.db2.gz JCOHVYYYMCWTNA-AQNXPRMDSA-N 0 3 414.550 2.087 20 0 HEADHN CCO[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)C12CCC2 ZINC000743929996 1077255372 /nfs/dbraw/zinc/25/53/72/1077255372.db2.gz XQFCZOOLPRHUMV-VQTJNVASSA-N 0 3 414.550 2.231 20 0 HEADHN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743978659 1077291306 /nfs/dbraw/zinc/29/13/06/1077291306.db2.gz MOECPBUBHUDSFU-SJLPKXTDSA-N 0 3 414.550 2.406 20 0 HEADHN CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)C(=O)NCCN2CCC[C@H]2C)c1 ZINC000743978389 1077291540 /nfs/dbraw/zinc/29/15/40/1077291540.db2.gz HTYOQEKLEZHJRG-CQSZACIVSA-N 0 3 408.930 2.359 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 ZINC000743978414 1077291816 /nfs/dbraw/zinc/29/18/16/1077291816.db2.gz IOCHVTVQEQLTKR-SECBINFHSA-N 0 3 412.418 2.157 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1 ZINC000743980179 1077293742 /nfs/dbraw/zinc/29/37/42/1077293742.db2.gz WSOZNKNXXRTFFP-HNNXBMFYSA-N 0 3 413.478 2.140 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000743982698 1077294637 /nfs/dbraw/zinc/29/46/37/1077294637.db2.gz XVQLDVKNEVNDAT-QGZVFWFLSA-N 0 3 420.513 2.429 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 ZINC000743982696 1077294667 /nfs/dbraw/zinc/29/46/67/1077294667.db2.gz XVQLDVKNEVNDAT-KRWDZBQOSA-N 0 3 420.513 2.429 20 0 HEADHN COc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1OCC(F)(F)F ZINC000743982001 1077295060 /nfs/dbraw/zinc/29/50/60/1077295060.db2.gz NJWAYGMZGWBPHT-LBPRGKRZSA-N 0 3 403.401 2.175 20 0 HEADHN Cc1c(C(=O)NCCN2CCC[C@H]2C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000744346289 1077367988 /nfs/dbraw/zinc/36/79/88/1077367988.db2.gz XZNFSJNWOPKVOY-OAHLLOKOSA-N 0 3 420.558 2.373 20 0 HEADHN CC(=O)Nc1cccc(NC(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000744399238 1077376611 /nfs/dbraw/zinc/37/66/11/1077376611.db2.gz HCLTWVOPIRSTJL-HSZRJFAPSA-N 0 3 410.518 2.200 20 0 HEADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)C[C@](C)(O)C(F)(F)F)CC1 ZINC000744645992 1077519520 /nfs/dbraw/zinc/51/95/20/1077519520.db2.gz BSHWSLYBDPKULL-IBGZPJMESA-N 0 3 416.440 2.276 20 0 HEADHN C[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 ZINC000745170777 1077766579 /nfs/dbraw/zinc/76/65/79/1077766579.db2.gz QTBWIISHTFPHSW-UHVIJJLKSA-N 0 3 402.520 2.356 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cc(C4CC4)n(C)n3)cc2)CC1 ZINC000745264395 1077795736 /nfs/dbraw/zinc/79/57/36/1077795736.db2.gz YMLOJDLPNUUQCN-UHFFFAOYSA-N 0 3 411.506 2.235 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccn(C(C)C)n3)cc2)CC1 ZINC000745322900 1077807660 /nfs/dbraw/zinc/80/76/60/1077807660.db2.gz FGAYHUWMNCUXLM-UHFFFAOYSA-N 0 3 413.522 2.330 20 0 HEADHN Cc1cccc(C2N=NC(=S)N2CC(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 ZINC000745398897 1077817906 /nfs/dbraw/zinc/81/79/06/1077817906.db2.gz MKSSSALBYGTXIJ-GOSISDBHSA-N 0 3 415.563 2.256 20 0 HEADHN COc1ccccc1[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1nccn1C ZINC000745401205 1077818314 /nfs/dbraw/zinc/81/83/14/1077818314.db2.gz QTFMWFFJVIUPAP-XLIONFOSSA-N 0 3 415.538 2.270 20 0 HEADHN O[C@@]1(c2nc(Cc3nncn3-c3ccccc3)no2)CCN(Cc2ccccc2)C1 ZINC000771783546 1079503840 /nfs/dbraw/zinc/50/38/40/1079503840.db2.gz WOLWRLPLWVDVDA-QFIPXVFZSA-N 0 3 402.458 2.335 20 0 HEADHN O=C(NC[C@H]1CCCO1)Nc1ccc(N2C(=O)NC(CC(F)(F)F)C2=O)cc1 ZINC000771843640 1079533915 /nfs/dbraw/zinc/53/39/15/1079533915.db2.gz ODCXQMGLXZUTQY-OLZOCXBDSA-N 0 3 400.357 2.364 20 0 HEADHN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN[C@H](CO)C1CC1 ZINC000771821618 1079547246 /nfs/dbraw/zinc/54/72/46/1079547246.db2.gz UZIKVCWOVYJZFQ-GOSISDBHSA-N 0 3 413.474 2.255 20 0 HEADHN C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000766968930 1079564843 /nfs/dbraw/zinc/56/48/43/1079564843.db2.gz IRPONBABKCVXDF-BBRMVZONSA-N 0 3 412.458 2.376 20 0 HEADHN Cc1ccc(N2C(=O)c3ccccc3/C(=C/NC[C@@H]3CN4CCN3CC4)C2=O)cc1 ZINC000746521617 1079662440 /nfs/dbraw/zinc/66/24/40/1079662440.db2.gz IZZOCENUZJLVMD-MLPWYGTASA-N 0 3 402.498 2.112 20 0 HEADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000767095391 1079675359 /nfs/dbraw/zinc/67/53/59/1079675359.db2.gz HDUZIGLFGSAHHM-RTBURBONSA-N 0 3 412.534 2.381 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000767195523 1079730606 /nfs/dbraw/zinc/73/06/06/1079730606.db2.gz JZVFFYQZHKZSKW-KYJSFNMBSA-N 0 3 401.960 2.499 20 0 HEADHN C[C@@H]1CN(c2cccc3cnccc32)CCN1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000772353931 1079813367 /nfs/dbraw/zinc/81/33/67/1079813367.db2.gz FVHCQRAVSPZHSP-MISYRCLQSA-N 0 3 409.534 2.318 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H]3CCO[C@H](C(C)C)C3)cc2)CC1 ZINC000772349453 1079838653 /nfs/dbraw/zinc/83/86/53/1079838653.db2.gz WFWYJWLMTPQESO-ICSRJNTNSA-N 0 3 402.539 2.087 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000772411756 1079847283 /nfs/dbraw/zinc/84/72/83/1079847283.db2.gz ZAUZYSSVXRAKFJ-KURKYZTESA-N 0 3 411.591 2.100 20 0 HEADHN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000772475171 1079894151 /nfs/dbraw/zinc/89/41/51/1079894151.db2.gz ASHLRYXCLGVXCJ-IAGOWNOFSA-N 0 3 413.584 2.099 20 0 HEADHN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000767598510 1079998339 /nfs/dbraw/zinc/99/83/39/1079998339.db2.gz RKQFCUKINPZJCN-MRXNPFEDSA-N 0 3 415.600 2.394 20 0 HEADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C)C[C@@H]3[C@@H](C)O)CC2)c(F)c1 ZINC000785545045 1080051310 /nfs/dbraw/zinc/05/13/10/1080051310.db2.gz AQIXTMJSDZAULA-LUQKVYGDSA-N 0 3 405.514 2.158 20 0 HEADHN C[C@@H](CNC(=O)C(=O)N[C@@H](c1nccn1C)c1ccc(Cl)cc1)N1CCCCC1 ZINC000785581856 1080059828 /nfs/dbraw/zinc/05/98/28/1080059828.db2.gz BPTHLDFNAXOMIE-MAUKXSAKSA-N 0 3 417.941 2.270 20 0 HEADHN CN(CCc1cccnc1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170047801 1080066750 /nfs/dbraw/zinc/06/67/50/1080066750.db2.gz IEQYUHVQOCWCIN-ROUUACIJSA-N 0 3 420.579 2.467 20 0 HEADHN COc1ccc(-c2ncc(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)s2)cc1OC ZINC000767777493 1080082941 /nfs/dbraw/zinc/08/29/41/1080082941.db2.gz UIGJMXYCDOFBIW-HUUCEWRRSA-N 0 3 403.504 2.420 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)n(CC)c2C)CC1=O ZINC000785639673 1080086399 /nfs/dbraw/zinc/08/63/99/1080086399.db2.gz DMYBWKKMZULJJE-ROUUACIJSA-N 0 3 403.523 2.184 20 0 HEADHN CCOc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(C[C@H]3CCCN3CC)C2)cc1 ZINC000785641189 1080088473 /nfs/dbraw/zinc/08/84/73/1080088473.db2.gz HZXPKKQGAVMXJF-ZWKOTPCHSA-N 0 3 402.491 2.144 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(F)cc2F)CC1=O ZINC000785643698 1080092300 /nfs/dbraw/zinc/09/23/00/1080092300.db2.gz ANNDXNXPZPONEN-IJEWVQPXSA-N 0 3 408.445 2.412 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C)C(=O)c2c[nH]c3ncccc23)CC1=O ZINC000785652785 1080108979 /nfs/dbraw/zinc/10/89/79/1080108979.db2.gz NQNCGOAEUDAGIQ-BZUAXINKSA-N 0 3 412.490 2.010 20 0 HEADHN COc1cc(CNC[C@H](O)c2cc(F)cc(Cl)c2)cc(OC)c1OCC(N)=O ZINC000785616906 1080117338 /nfs/dbraw/zinc/11/73/38/1080117338.db2.gz WOOCELYQWGXHHB-HNNXBMFYSA-N 0 3 412.845 2.184 20 0 HEADHN CCOC(=O)C1CCN(C(=O)COC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000785721288 1080194446 /nfs/dbraw/zinc/19/44/46/1080194446.db2.gz NELDUENTSJHESX-UHFFFAOYSA-N 0 3 402.491 2.241 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN3[C@@H](C)CC[C@@H]3C)cc2)CC1 ZINC000785735556 1080208407 /nfs/dbraw/zinc/20/84/07/1080208407.db2.gz WEKUFDSCJSFSSY-ROUUACIJSA-N 0 3 402.539 2.183 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000785735553 1080208837 /nfs/dbraw/zinc/20/88/37/1080208837.db2.gz WEKUFDSCJSFSSY-HDICACEKSA-N 0 3 402.539 2.183 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(Cc2ccnc(N)c2)C1 ZINC000785770028 1080239421 /nfs/dbraw/zinc/23/94/21/1080239421.db2.gz VPLTWRHGOLFFEP-QZTJIDSGSA-N 0 3 417.554 2.392 20 0 HEADHN CC[C@]1(C)CC(=O)N(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000767972839 1080243791 /nfs/dbraw/zinc/24/37/91/1080243791.db2.gz SEQBWXXPEBLDKC-WMZHIEFXSA-N 0 3 413.566 2.048 20 0 HEADHN C[C@@H]1CCCN(CCNC(=O)C(=O)Nc2cnc(Cl)c(Br)c2)C1 ZINC000767982195 1080247450 /nfs/dbraw/zinc/24/74/50/1080247450.db2.gz KQZNRLZADXULEO-SNVBAGLBSA-N 0 3 403.708 2.284 20 0 HEADHN COC(=O)c1n[nH]c2ccc(NC(=O)N3CCN(C4CCOCC4)C[C@H]3C)cc21 ZINC000785810208 1080253468 /nfs/dbraw/zinc/25/34/68/1080253468.db2.gz TWQNTFVVOJBZEA-CYBMUJFWSA-N 0 3 401.467 2.067 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000768071221 1080295435 /nfs/dbraw/zinc/29/54/35/1080295435.db2.gz OZSPMHLIVOPUSW-LSDHHAIUSA-N 0 3 402.322 2.361 20 0 HEADHN C[C@H](CNC(=O)C(=O)NCCc1ccc(Br)s1)N1CCCCC1 ZINC000785973207 1080331448 /nfs/dbraw/zinc/33/14/48/1080331448.db2.gz VRHNHYMGZOMKNN-GFCCVEGCSA-N 0 3 402.358 2.160 20 0 HEADHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)N(C)C ZINC000786024362 1080339547 /nfs/dbraw/zinc/33/95/47/1080339547.db2.gz DNWZGRICGBXUDI-OXJNMPFZSA-N 0 3 406.490 2.322 20 0 HEADHN CC1(C)CCCN(CCNC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)C1 ZINC000768108205 1080343692 /nfs/dbraw/zinc/34/36/92/1080343692.db2.gz FGYNMCCLYCHQMO-JOCHJYFZSA-N 0 3 403.523 2.310 20 0 HEADHN Cc1ncc(CCNC(=O)C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)s1 ZINC000768109674 1080344280 /nfs/dbraw/zinc/34/42/80/1080344280.db2.gz XENANEDOWYTTCU-UHFFFAOYSA-N 0 3 415.563 2.279 20 0 HEADHN O=C(Nc1cnc(Cl)c(Br)c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000768138262 1080368560 /nfs/dbraw/zinc/36/85/60/1080368560.db2.gz FQDOYIDRKIYYKT-NSHDSACASA-N 0 3 401.692 2.133 20 0 HEADHN O=C(Cc1ccc(Cl)cn1)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC000786137474 1080458740 /nfs/dbraw/zinc/45/87/40/1080458740.db2.gz INRRAVHSDFXQSP-UHFFFAOYSA-N 0 3 400.910 2.420 20 0 HEADHN O=C(NCCN1CCCC1)c1ccc(CNC(=O)C(F)(F)C2(O)CCCC2)cc1 ZINC000786138002 1080460262 /nfs/dbraw/zinc/46/02/62/1080460262.db2.gz OBGZFWNZLAFJMN-UHFFFAOYSA-N 0 3 409.477 2.069 20 0 HEADHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)C1 ZINC000768294387 1080466986 /nfs/dbraw/zinc/46/69/86/1080466986.db2.gz RAADCVDRRKEJDZ-BDZKXGRMSA-N 0 3 419.566 2.391 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)N1CCCCC1 ZINC000786197183 1080468080 /nfs/dbraw/zinc/46/80/80/1080468080.db2.gz MNRJKJBDCFSTTE-INIZCTEOSA-N 0 3 412.490 2.139 20 0 HEADHN C[C@@H](NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O)C1=CCN(C)CC1 ZINC000768413125 1080531052 /nfs/dbraw/zinc/53/10/52/1080531052.db2.gz KZFMJZJDNORQKD-CCNLRDMRSA-N 0 3 405.539 2.215 20 0 HEADHN CC(C)(C)OC(=O)N1CCC(CCN2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000768382435 1080535503 /nfs/dbraw/zinc/53/55/03/1080535503.db2.gz QFMDQDQKMZFDBD-UHFFFAOYSA-N 0 3 417.554 2.340 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 ZINC000768427666 1080549194 /nfs/dbraw/zinc/54/91/94/1080549194.db2.gz XPPBVRUZXDVUGZ-GOSISDBHSA-N 0 3 406.534 2.424 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H]3CC34CCOCC4)cc2)CC1 ZINC000786438257 1080601721 /nfs/dbraw/zinc/60/17/21/1080601721.db2.gz GZONFDIFRWDXLR-IBGZPJMESA-N 0 3 401.507 2.127 20 0 HEADHN CCNS(=O)(=O)CCN[C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000786581821 1080671390 /nfs/dbraw/zinc/67/13/90/1080671390.db2.gz WJRQDEJMQXFOIL-INIZCTEOSA-N 0 3 405.358 2.446 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cc3ccc4c[nH]nc4c3)cc2)CC1 ZINC000786565322 1080691587 /nfs/dbraw/zinc/69/15/87/1080691587.db2.gz OUZLMBFHTVODGX-UHFFFAOYSA-N 0 3 421.501 2.429 20 0 HEADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2cnn(-c3ccccc3Cl)c2)CCSC1 ZINC000768730972 1080758447 /nfs/dbraw/zinc/75/84/47/1080758447.db2.gz YXNKGZKGQXQBKR-SFHVURJKSA-N 0 3 407.927 2.018 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000768750723 1080772680 /nfs/dbraw/zinc/77/26/80/1080772680.db2.gz XMGHPUHSCNYUIV-LJQANCHMSA-N 0 3 414.550 2.375 20 0 HEADHN C[C@@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)NC[C@H]1COc2ccccc2O1 ZINC000786826126 1080826677 /nfs/dbraw/zinc/82/66/77/1080826677.db2.gz QDBUFGUHFOGKHA-XLIONFOSSA-N 0 3 424.497 2.323 20 0 HEADHN CS(=O)(=O)N(CCOC(=O)CCN1CCc2ccccc2C1)Cc1ccccc1 ZINC000786828190 1080827383 /nfs/dbraw/zinc/82/73/83/1080827383.db2.gz XFUPIYIGTCKXFA-UHFFFAOYSA-N 0 3 416.543 2.440 20 0 HEADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000768978092 1080872670 /nfs/dbraw/zinc/87/26/70/1080872670.db2.gz GWODISTWHMLYFM-UHFFFAOYSA-N 0 3 406.527 2.320 20 0 HEADHN C[C@@H](N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(N2CCNC2=O)cc1 ZINC000786911532 1080880368 /nfs/dbraw/zinc/88/03/68/1080880368.db2.gz ALNVLUDWXMVRAI-GCJKJVERSA-N 0 3 422.529 2.337 20 0 HEADHN CC(C)OCCN1CCC(NC(=O)N(C)CCN(C)C(=O)OC(C)(C)C)CC1 ZINC000768954499 1080881409 /nfs/dbraw/zinc/88/14/09/1080881409.db2.gz BKDWECDTXOZVDC-UHFFFAOYSA-N 0 3 400.564 2.384 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000769000041 1080895796 /nfs/dbraw/zinc/89/57/96/1080895796.db2.gz ALPOUEDIKSKTDS-OLZOCXBDSA-N 0 3 410.400 2.271 20 0 HEADHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000786933647 1080898161 /nfs/dbraw/zinc/89/81/61/1080898161.db2.gz DWCKICODTRSWSP-UHFFFAOYSA-N 0 3 404.555 2.421 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 ZINC001169999260 1080901751 /nfs/dbraw/zinc/90/17/51/1080901751.db2.gz QZVXKVUKTWUWAR-MRXNPFEDSA-N 0 3 421.488 2.421 20 0 HEADHN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000769097561 1080906937 /nfs/dbraw/zinc/90/69/37/1080906937.db2.gz JJZIXITYICKTSW-NJAFHUGGSA-N 0 3 415.456 2.019 20 0 HEADHN CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(Cc2cnn3ccccc23)C1 ZINC000769192679 1080965979 /nfs/dbraw/zinc/96/59/79/1080965979.db2.gz QUXBRLXBXCWNNN-INIZCTEOSA-N 0 3 401.511 2.187 20 0 HEADHN CN(C)CCN(Cc1ccccn1)C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000769187700 1080997376 /nfs/dbraw/zinc/99/73/76/1080997376.db2.gz DHIQSRRZCSREOB-LJQANCHMSA-N 0 3 420.554 2.388 20 0 HEADHN CN(CC(=O)NCCN1CCc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746660827 1081053537 /nfs/dbraw/zinc/05/35/37/1081053537.db2.gz CGKWVPIOSVNSOE-UHFFFAOYSA-N 0 3 416.566 2.497 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000746660792 1081054870 /nfs/dbraw/zinc/05/48/70/1081054870.db2.gz ACPXSEXUDSRSKU-MRXNPFEDSA-N 0 3 411.543 2.119 20 0 HEADHN NS(=O)(=O)c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164629153 719073235 /nfs/dbraw/zinc/07/32/35/719073235.db2.gz WCQFBDYWRBTXRN-CRAIPNDOSA-N 0 3 406.939 2.483 20 0 HEADHN COC(=O)[C@H]1CNCCN1C(F)(F)Oc1ccc2nc(Cl)c(Cl)nc2c1 ZINC001164618938 719133324 /nfs/dbraw/zinc/13/33/24/719133324.db2.gz APIFTSBDNBOVEP-LLVKDONJSA-N 0 3 407.204 2.313 20 0 HEADHN c1ccc(OCc2nnc3n2CCN(c2ncccc2CN2CCCC2)CC3)nc1 ZINC001164687827 719686728 /nfs/dbraw/zinc/68/67/28/719686728.db2.gz VVXXPEZGEPLNAW-UHFFFAOYSA-N 0 3 405.506 2.306 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1ccc(C(=O)N3CCC(C)CC3)cn1)CC2 ZINC001164689529 719739242 /nfs/dbraw/zinc/73/92/42/719739242.db2.gz GMPMNJKBTRTUFC-UHFFFAOYSA-N 0 3 413.566 2.135 20 0 HEADHN Cc1nc(CN2CCN(C)C3(CCN(c4cccc(N(C)C)n4)CC3)C2=O)cs1 ZINC001164823110 720360054 /nfs/dbraw/zinc/36/00/54/720360054.db2.gz AQQGUEDYXZXGFN-UHFFFAOYSA-N 0 3 414.579 2.226 20 0 HEADHN COC(=O)c1ccc2c(ccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737937 720675448 /nfs/dbraw/zinc/67/54/48/720675448.db2.gz HTRNWDSJDCWGHZ-ROUUACIJSA-N 0 3 405.458 2.153 20 0 HEADHN COc1cccc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164742207 720732551 /nfs/dbraw/zinc/73/25/51/720732551.db2.gz NQZBLJTUCMXBJL-IEBWSBKVSA-N 0 3 404.474 2.284 20 0 HEADHN COc1ccccc1-c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ncn1 ZINC001164742930 720771435 /nfs/dbraw/zinc/77/14/35/720771435.db2.gz POOYKEYSOCAINH-DLBZAZTESA-N 0 3 404.474 2.284 20 0 HEADHN COC(=O)c1cccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc21 ZINC001164751152 720790214 /nfs/dbraw/zinc/79/02/14/720790214.db2.gz XCRICPXBHHQHAW-CVEARBPZSA-N 0 3 405.458 2.153 20 0 HEADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c21 ZINC001164747871 720806048 /nfs/dbraw/zinc/80/60/48/720806048.db2.gz PPXXEUFGFFHYQH-LSDHHAIUSA-N 0 3 405.437 2.382 20 0 HEADHN CCc1cc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)nc(N2CCOCC2)n1 ZINC001164858967 720981137 /nfs/dbraw/zinc/98/11/37/720981137.db2.gz JOXCTDARMIZGKL-QGZVFWFLSA-N 0 3 413.570 2.494 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@H]3[C@@H](COCC4CC4)CN(C)C(=O)[C@H]3CC2)c1 ZINC001164861050 721029704 /nfs/dbraw/zinc/02/97/04/721029704.db2.gz NIXOTOQEONPOGB-NJYVYQBISA-N 0 3 400.567 2.491 20 0 HEADHN CCOC(=O)c1cc(F)cnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164870565 721058437 /nfs/dbraw/zinc/05/84/37/721058437.db2.gz WIIAWICTISPORC-ROUUACIJSA-N 0 3 400.454 2.272 20 0 HEADHN CCOC(=O)c1nnc(Cl)cc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865941 721080726 /nfs/dbraw/zinc/08/07/26/721080726.db2.gz QCLNLEXYXUVHSL-JKSUJKDBSA-N 0 3 417.897 2.181 20 0 HEADHN COC(=O)c1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1Cl ZINC001164867618 721084306 /nfs/dbraw/zinc/08/43/06/721084306.db2.gz YUGNZRKHVQFPJU-CVEARBPZSA-N 0 3 402.882 2.396 20 0 HEADHN COCc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164867245 721084683 /nfs/dbraw/zinc/08/46/83/721084683.db2.gz XLMBQHNHCVXFOS-ZWKOTPCHSA-N 0 3 401.536 2.220 20 0 HEADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865515 721097746 /nfs/dbraw/zinc/09/77/46/721097746.db2.gz MEWVPKJQJMWIFM-OALUTQOASA-N 0 3 419.485 2.291 20 0 HEADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879847 721153312 /nfs/dbraw/zinc/15/33/12/721153312.db2.gz UMPBOURQDSMUDW-VXKWHMMOSA-N 0 3 417.513 2.166 20 0 HEADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164880746 721165146 /nfs/dbraw/zinc/16/51/46/721165146.db2.gz XLZRJRWFHAJSID-PMACEKPBSA-N 0 3 422.533 2.024 20 0 HEADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)ncnc54)C[C@@H]3C2)cn1 ZINC001164774484 721226345 /nfs/dbraw/zinc/22/63/45/721226345.db2.gz ZSVYDRYYVMTCEQ-STQMWFEESA-N 0 3 419.320 2.418 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1N1CCCC1 ZINC001164887223 721378659 /nfs/dbraw/zinc/37/86/59/721378659.db2.gz HIBXTJDVMFVVCB-REWPJTCUSA-N 0 3 414.598 2.151 20 0 HEADHN Cc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NCC1CC1 ZINC001164885572 721379202 /nfs/dbraw/zinc/37/92/02/721379202.db2.gz CMGACXDPZVDBBC-NZQKXSOJSA-N 0 3 414.598 2.372 20 0 HEADHN Cc1cc(N2CCCC2)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1 ZINC001164894472 721379217 /nfs/dbraw/zinc/37/92/17/721379217.db2.gz YHGFDWNIKPCEHZ-NZQKXSOJSA-N 0 3 414.598 2.151 20 0 HEADHN Cc1nc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889444 721400640 /nfs/dbraw/zinc/40/06/40/721400640.db2.gz QNWKYPOWFVUXED-FOIQADDNSA-N 0 3 419.961 2.080 20 0 HEADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(N5CCCCC5)ncn4)C3)O2)CC1 ZINC001164891601 721433347 /nfs/dbraw/zinc/43/33/47/721433347.db2.gz HHLAOMLFRYIVPT-OFNKIYASSA-N 0 3 414.598 2.232 20 0 HEADHN O=C([C@@H]1CCO[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12)N1CCCO1 ZINC001164789052 721482340 /nfs/dbraw/zinc/48/23/40/721482340.db2.gz AISSSIVKGIRLBS-AABGKKOBSA-N 0 3 400.523 2.073 20 0 HEADHN CCOC(=O)c1cnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1C ZINC001164908227 721529973 /nfs/dbraw/zinc/52/99/73/721529973.db2.gz POALPXCXFKFBDD-SJLPKXTDSA-N 0 3 400.454 2.443 20 0 HEADHN CCOC(=O)c1cnc(OC)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903996 721530567 /nfs/dbraw/zinc/53/05/67/721530567.db2.gz DTQAQYGDNUNRLN-RDJZCZTQSA-N 0 3 416.453 2.143 20 0 HEADHN COC(=O)c1nc(Cl)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909808 721536317 /nfs/dbraw/zinc/53/63/17/721536317.db2.gz RXIAGBBHEYYUSZ-DZGCQCFKSA-N 0 3 406.845 2.398 20 0 HEADHN COC(=O)c1nc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164903099 721560205 /nfs/dbraw/zinc/56/02/05/721560205.db2.gz AJZXYKLIVWUQEL-ZFWWWQNUSA-N 0 3 406.845 2.398 20 0 HEADHN Cc1cccc(CN2CCO[C@@H]3CN(c4cc(CN(C)C)ccn4)CC[C@H]3C2=O)n1 ZINC001164799413 721603200 /nfs/dbraw/zinc/60/32/00/721603200.db2.gz KETJPPCSLVIMIX-NHCUHLMSSA-N 0 3 409.534 2.101 20 0 HEADHN CC(=O)N1[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164969344 722080971 /nfs/dbraw/zinc/08/09/71/722080971.db2.gz JDYDWYQNAPLQIC-FDFHNCONSA-N 0 3 408.550 2.390 20 0 HEADHN COc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(SC)n1 ZINC001164981163 722117704 /nfs/dbraw/zinc/11/77/04/722117704.db2.gz TZFRMHGSINKZMG-SJORKVTESA-N 0 3 401.536 2.329 20 0 HEADHN COCCn1ccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978432 722123274 /nfs/dbraw/zinc/12/32/74/722123274.db2.gz OQBUVZGLQCETND-CTNGQTDRSA-N 0 3 422.533 2.200 20 0 HEADHN O=C1NCc2c1cc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983756 722127027 /nfs/dbraw/zinc/12/70/27/722127027.db2.gz ZYFSJIUTYQHDFJ-MAUKXSAKSA-N 0 3 413.909 2.101 20 0 HEADHN CNC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ccc1Cl ZINC001164978343 722127653 /nfs/dbraw/zinc/12/76/53/722127653.db2.gz OKVGIOBYNBVBQN-WMZOPIPTSA-N 0 3 415.925 2.217 20 0 HEADHN CCOC(=O)Cc1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164977107 722156313 /nfs/dbraw/zinc/15/63/13/722156313.db2.gz XAUDCWISJGBWJT-RTWAWAEBSA-N 0 3 410.518 2.310 20 0 HEADHN F[C@H](Oc1ccc(Cl)nn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975311 722157407 /nfs/dbraw/zinc/15/74/07/722157407.db2.gz SCZNALNGQSVXOM-FCEWJHQRSA-N 0 3 407.877 2.380 20 0 HEADHN C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000769624882 1078478934 /nfs/dbraw/zinc/47/89/34/1078478934.db2.gz LPUXBOCGURWHHS-SXLOBPIMSA-N 0 3 416.566 2.365 20 0 HEADHN O=C(CCN1CCC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769894799 1078616481 /nfs/dbraw/zinc/61/64/81/1078616481.db2.gz ANHVBNQIGJRQHT-BEFAXECRSA-N 0 3 415.456 2.487 20 0 HEADHN O=C(CCN1CCC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769894808 1078617152 /nfs/dbraw/zinc/61/71/52/1078617152.db2.gz ANHVBNQIGJRQHT-HNAYVOBHSA-N 0 3 415.456 2.487 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000745781401 1078640168 /nfs/dbraw/zinc/64/01/68/1078640168.db2.gz NXPRLNHRYGIFST-MSOLQXFVSA-N 0 3 417.554 2.277 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000745780764 1078640845 /nfs/dbraw/zinc/64/08/45/1078640845.db2.gz VEMNDDNHCIMUHU-MOPGFXCFSA-N 0 3 415.582 2.447 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000745780766 1078640862 /nfs/dbraw/zinc/64/08/62/1078640862.db2.gz VEMNDDNHCIMUHU-RBUKOAKNSA-N 0 3 415.582 2.447 20 0 HEADHN C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1cccc(N2CCOC2=O)c1 ZINC000745783072 1078641314 /nfs/dbraw/zinc/64/13/14/1078641314.db2.gz YPCZYQVPCZODKG-APWZRJJASA-N 0 3 404.511 2.456 20 0 HEADHN C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(N2CCOC2=O)cc1 ZINC000745783174 1078641410 /nfs/dbraw/zinc/64/14/10/1078641410.db2.gz ZDGCZCMCIKIQRE-LPHOPBHVSA-N 0 3 404.511 2.456 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC000745782680 1078642042 /nfs/dbraw/zinc/64/20/42/1078642042.db2.gz VUHAWIWFKNNFOC-ROUUACIJSA-N 0 3 417.554 2.277 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000745861216 1078676425 /nfs/dbraw/zinc/67/64/25/1078676425.db2.gz ANABWEVVXNSVPV-QAPCUYQASA-N 0 3 416.488 2.312 20 0 HEADHN C[C@@H](CNC(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1)CN1CCN(C)CC1 ZINC000745862737 1078677593 /nfs/dbraw/zinc/67/75/93/1078677593.db2.gz NVQBYAKOEBJQHP-SUMWQHHRSA-N 0 3 403.354 2.210 20 0 HEADHN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)[C@@H](c1ccccc1)N(C)C ZINC000770046416 1078703001 /nfs/dbraw/zinc/70/30/01/1078703001.db2.gz GMSGGAUOMJWNPI-KPOBHBOGSA-N 0 3 411.481 2.053 20 0 HEADHN CON(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000770049588 1078704483 /nfs/dbraw/zinc/70/44/83/1078704483.db2.gz OICIFBHEYBLIIO-HNAYVOBHSA-N 0 3 405.520 2.290 20 0 HEADHN COc1cccc(OC)c1OC[C@@H](O)CN(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745945565 1078709223 /nfs/dbraw/zinc/70/92/23/1078709223.db2.gz VRRGYEDSMAUYSH-HOTGVXAUSA-N 0 3 410.511 2.385 20 0 HEADHN COC(=O)CC(C)(C)NCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000770190334 1078753371 /nfs/dbraw/zinc/75/33/71/1078753371.db2.gz IYSPYIVYDBOKFA-UHFFFAOYSA-N 0 3 401.429 2.285 20 0 HEADHN CCOC(=O)N1[C@@H](c2ccc(C)o2)CC[C@H]1C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000770171665 1078766650 /nfs/dbraw/zinc/76/66/50/1078766650.db2.gz CLFGMFDXLINDQT-UHOSZYNNSA-N 0 3 420.554 2.392 20 0 HEADHN CCOC(=O)N1[C@H](C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC[C@H]1c1ccc(C)o1 ZINC000770171667 1078766812 /nfs/dbraw/zinc/76/68/12/1078766812.db2.gz CLFGMFDXLINDQT-WDSOQIARSA-N 0 3 420.554 2.392 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000770172102 1078767749 /nfs/dbraw/zinc/76/77/49/1078767749.db2.gz FXMWMIYRFDZPMT-QUCCMNQESA-N 0 3 418.582 2.437 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1nc(NCc2ccco2)ncc1Cl ZINC000770174590 1078769983 /nfs/dbraw/zinc/76/99/83/1078769983.db2.gz UONNVSLKEBRNLJ-AWEZNQCLSA-N 0 3 406.918 2.091 20 0 HEADHN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000770175536 1078770555 /nfs/dbraw/zinc/77/05/55/1078770555.db2.gz XKMYHRKFEMWSDE-ICSRJNTNSA-N 0 3 404.555 2.080 20 0 HEADHN CN(C)C1(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CCCCC1 ZINC000746096970 1078778900 /nfs/dbraw/zinc/77/89/00/1078778900.db2.gz KAOKKKVETCDJFB-UHFFFAOYSA-N 0 3 424.498 2.177 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)NC(C)C)c[nH]3)cc2)CC1 ZINC000746099589 1078793735 /nfs/dbraw/zinc/79/37/35/1078793735.db2.gz XXTFNBPHQXNCQC-UHFFFAOYSA-N 0 3 419.551 2.096 20 0 HEADHN COc1ccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1NC(=O)OC(C)(C)C ZINC000746122871 1078796976 /nfs/dbraw/zinc/79/69/76/1078796976.db2.gz AMDAMUUOPSWPOU-AWEZNQCLSA-N 0 3 420.510 2.391 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)NC2CCN(c3ccc(C(C)(C)C)cc3)CC2)CC1=O ZINC000746160332 1078812651 /nfs/dbraw/zinc/81/26/51/1078812651.db2.gz ZZNVCIMGEKYAET-GOSISDBHSA-N 0 3 414.594 2.479 20 0 HEADHN CC(C)(C)OC(=O)NCC(C)(C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746217778 1078824310 /nfs/dbraw/zinc/82/43/10/1078824310.db2.gz CNFCPYCYKVLKIR-GOSISDBHSA-N 0 3 405.539 2.073 20 0 HEADHN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746222846 1078825628 /nfs/dbraw/zinc/82/56/28/1078825628.db2.gz ATBATRKCLHHXQE-DBVUQKKJSA-N 0 3 419.566 2.461 20 0 HEADHN CC(C)OC(=O)N1CCC(NC(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000746255782 1078833457 /nfs/dbraw/zinc/83/34/57/1078833457.db2.gz AJQQNZULGZDRQF-UHFFFAOYSA-N 0 3 402.539 2.324 20 0 HEADHN Cc1cccc(N2CCN(CCC(=O)N3CCN(C4=NC[C@H](C)S4)CC3)CC2)c1 ZINC000746303740 1078848257 /nfs/dbraw/zinc/84/82/57/1078848257.db2.gz UEXDBUSHSKSFMO-IBGZPJMESA-N 0 3 415.607 2.143 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)Oc2ccc(N(C)C(=O)OC(C)(C)C)cc2)CC1=O ZINC000746315862 1078855381 /nfs/dbraw/zinc/85/53/81/1078855381.db2.gz ISRCEAKOVCASDW-OAHLLOKOSA-N 0 3 405.495 2.373 20 0 HEADHN C[C@@H]1NC(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000746361236 1078874662 /nfs/dbraw/zinc/87/46/62/1078874662.db2.gz XZLIZUAWGNRTEQ-RXVVDRJESA-N 0 3 419.529 2.448 20 0 HEADHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746345689 1078868011 /nfs/dbraw/zinc/86/80/11/1078868011.db2.gz UYKIQSVSVFSRFM-HNNXBMFYSA-N 0 3 409.527 2.070 20 0 HEADHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)C1 ZINC000746345689 1078868013 /nfs/dbraw/zinc/86/80/13/1078868013.db2.gz UYKIQSVSVFSRFM-HNNXBMFYSA-N 0 3 409.527 2.070 20 0 HEADHN Cc1ccccc1CN1CCN(C(=O)COC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000770556726 1078880540 /nfs/dbraw/zinc/88/05/40/1078880540.db2.gz DRXYQGKKJUWSMI-UHFFFAOYSA-N 0 3 419.485 2.281 20 0 HEADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766347545 1078891151 /nfs/dbraw/zinc/89/11/51/1078891151.db2.gz ODFSJWZZGWCDEG-FPOVZHCZSA-N 0 3 416.566 2.177 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000770590461 1078899443 /nfs/dbraw/zinc/89/94/43/1078899443.db2.gz NHJQGHVHXIEJPH-CZUORRHYSA-N 0 3 403.354 2.352 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000770585776 1078897935 /nfs/dbraw/zinc/89/79/35/1078897935.db2.gz HBXVIXPKPLTXFM-SQNIBIBYSA-N 0 3 411.591 2.052 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000770594068 1078900502 /nfs/dbraw/zinc/90/05/02/1078900502.db2.gz IGUNUQIADYKNNZ-WMLDXEAASA-N 0 3 402.461 2.064 20 0 HEADHN CCCCCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)C1 ZINC000770607231 1078914330 /nfs/dbraw/zinc/91/43/30/1078914330.db2.gz PDRKDVBRNFJNNO-PMACEKPBSA-N 0 3 409.619 2.131 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)CCN1CCOC ZINC000766383348 1078933205 /nfs/dbraw/zinc/93/32/05/1078933205.db2.gz YHJVXLUHEXJNQC-CFGKVWFZSA-N 0 3 400.523 2.312 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000770721305 1078948734 /nfs/dbraw/zinc/94/87/34/1078948734.db2.gz JAVNQGZUMSDMEH-HXUWFJFHSA-N 0 3 416.566 2.177 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)CCN1CCOC ZINC000766378039 1078944810 /nfs/dbraw/zinc/94/48/10/1078944810.db2.gz VPDAMPZIVPQWDP-GCJKJVERSA-N 0 3 402.539 2.152 20 0 HEADHN NC(=NOCc1ncn(-c2ccccc2)n1)c1ccccc1CN1CCC(O)CC1 ZINC000770695021 1078963477 /nfs/dbraw/zinc/96/34/77/1078963477.db2.gz TVXVPHOETMPSNH-UHFFFAOYSA-N 0 3 406.490 2.271 20 0 HEADHN Cn1ncc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)c1C1CC1 ZINC000770741913 1078999867 /nfs/dbraw/zinc/99/98/67/1078999867.db2.gz MTMVMFKPZRDZMW-UHFFFAOYSA-N 0 3 405.568 2.104 20 0 HEADHN C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN(C)C1CCN(CCc2ccccn2)CC1 ZINC000746458827 1079000155 /nfs/dbraw/zinc/00/01/55/1079000155.db2.gz VZKYHNJOIZUVHC-GOSISDBHSA-N 0 3 410.566 2.248 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC[C@@H](O)c3ccccc3)c2)CC1 ZINC000770743887 1079001441 /nfs/dbraw/zinc/00/14/41/1079001441.db2.gz MTVQPZUOFHQUIE-OAQYLSRUSA-N 0 3 410.518 2.007 20 0 HEADHN Cc1nc(CNC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)nc2ccccc12 ZINC000804285251 1079008751 /nfs/dbraw/zinc/00/87/51/1079008751.db2.gz FIHALWGDHWLWBD-UHFFFAOYSA-N 0 3 419.529 2.187 20 0 HEADHN CCOC(=O)C1C(CN2CCN(C)C[C@@H]2C(C)C)=NC(=O)N[C@H]1c1ccccc1 ZINC000746461976 1079014762 /nfs/dbraw/zinc/01/47/62/1079014762.db2.gz ILHAGJUDDJHDDC-QUCCMNQESA-N 0 3 400.523 2.130 20 0 HEADHN CCOC(=O)C1=C(CN2CCN(C)C[C@@H]2C(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000746461976 1079014770 /nfs/dbraw/zinc/01/47/70/1079014770.db2.gz ILHAGJUDDJHDDC-QUCCMNQESA-N 0 3 400.523 2.130 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccccc1SC(F)(F)F ZINC000770799547 1079022300 /nfs/dbraw/zinc/02/23/00/1079022300.db2.gz DTNJKWCHPLHALZ-CYBMUJFWSA-N 0 3 418.485 2.379 20 0 HEADHN CCCCN(C)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000770800456 1079022666 /nfs/dbraw/zinc/02/26/66/1079022666.db2.gz JOCYCSVDNHQBNY-SFHVURJKSA-N 0 3 403.571 2.004 20 0 HEADHN C[C@@H](C(=O)N1CCN(C)C(C)(C)CC1)N1C(=O)c2ccc(Br)cc2C1=O ZINC001168798647 1079039363 /nfs/dbraw/zinc/03/93/63/1079039363.db2.gz CFAIFHRMYRVQHH-LBPRGKRZSA-N 0 3 422.323 2.376 20 0 HEADHN CN1CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CCC1(C)C ZINC001168798959 1079039560 /nfs/dbraw/zinc/03/95/60/1079039560.db2.gz LZMQYJVORUSCBJ-UHFFFAOYSA-N 0 3 419.913 2.379 20 0 HEADHN C[C@@H]1C[C@H](N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)CN1C(=O)OC(C)(C)C ZINC001168860605 1079055641 /nfs/dbraw/zinc/05/56/41/1079055641.db2.gz VZWORMLBADCAQY-XDNAFOTISA-N 0 3 403.527 2.012 20 0 HEADHN Cc1ccc(N2CCO[C@H]3CN([C@H]4C[C@@H](C)N(C(=O)OC(C)(C)C)C4)C[C@H]32)nn1 ZINC001168858297 1079054724 /nfs/dbraw/zinc/05/47/24/1079054724.db2.gz PUEMRWDAQJHZBI-XDNAFOTISA-N 0 3 403.527 2.072 20 0 HEADHN C[C@@H]1C[C@H](N2CCC3(C[C@@H]3C(=O)N3CCOCC3)CC2)CN1C(=O)OC(C)(C)C ZINC001168865045 1079057166 /nfs/dbraw/zinc/05/71/66/1079057166.db2.gz LSNYCSOWWJHVBR-FGTMMUONSA-N 0 3 407.555 2.345 20 0 HEADHN C[C@@H]1C[C@@H](N2CCC3(CC2)CN(CC2CC2)C(=O)CO3)CN1C(=O)OC(C)(C)C ZINC001168868791 1079058486 /nfs/dbraw/zinc/05/84/86/1079058486.db2.gz UYVTZVVASSBWTG-SJLPKXTDSA-N 0 3 407.555 2.488 20 0 HEADHN C[C@H]1C[C@H](n2nc(C(=O)N3CCCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849713 1079061064 /nfs/dbraw/zinc/06/10/64/1079061064.db2.gz LKGHDBTWARBKAO-GJZGRUSLSA-N 0 3 403.527 2.335 20 0 HEADHN Cc1nc2c(cc(-c3nc(N(C)S(=O)(=O)CCN)ncc3F)cc2F)n1C(C)C ZINC001156236354 1079081035 /nfs/dbraw/zinc/08/10/35/1079081035.db2.gz GLAIOTQZLIOHER-UHFFFAOYSA-N 0 3 424.477 2.386 20 0 HEADHN CC(C)(C)OC(=O)N1CCC2(CO[C@H](CN3CC[C@H](NC(=O)NC4CC4)C3)C2)CC1 ZINC001169003440 1079097331 /nfs/dbraw/zinc/09/73/31/1079097331.db2.gz HPVBIJKXCMXDEY-ROUUACIJSA-N 0 3 422.570 2.329 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cn(-c2ccccc2Br)nn1 ZINC000771041769 1079099740 /nfs/dbraw/zinc/09/97/40/1079099740.db2.gz YFMMLJWTMUCNFF-CQSZACIVSA-N 0 3 420.311 2.013 20 0 HEADHN CCOC(=O)[C@H](Nc1c[nH]cc2ccnc1-2)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001169044943 1079110724 /nfs/dbraw/zinc/11/07/24/1079110724.db2.gz QCQCKGVAPQWBNG-MSOLQXFVSA-N 0 3 403.460 2.044 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000771036767 1079111958 /nfs/dbraw/zinc/11/19/58/1079111958.db2.gz CMADISATUAZUBX-PMACEKPBSA-N 0 3 401.507 2.157 20 0 HEADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000771038751 1079112562 /nfs/dbraw/zinc/11/25/62/1079112562.db2.gz JUZILLKCBAEGHF-QGZVFWFLSA-N 0 3 418.515 2.237 20 0 HEADHN CCOCCC1(CNC(=O)C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CCC1 ZINC000766580050 1079120081 /nfs/dbraw/zinc/12/00/81/1079120081.db2.gz DSONQPWFSUDLQV-UHFFFAOYSA-N 0 3 416.566 2.480 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N[C@@]3(CC(=O)OC)CCCOC3)cc2)CC1 ZINC000771097062 1079150800 /nfs/dbraw/zinc/15/08/00/1079150800.db2.gz NJFOXSLAQOLEPD-OAQYLSRUSA-N 0 3 404.511 2.062 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)Cc3cccc(NS(C)(=O)=O)c3)C2)c1 ZINC001169149312 1079165704 /nfs/dbraw/zinc/16/57/04/1079165704.db2.gz JPQMMNCAJLMROR-FQEVSTJZSA-N 0 3 401.532 2.300 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)C2)c1 ZINC001169150785 1079167385 /nfs/dbraw/zinc/16/73/85/1079167385.db2.gz WDXXRYLQUIXTTA-YDHSSHFGSA-N 0 3 417.550 2.446 20 0 HEADHN O[C@H](CN1CCC(Oc2cccc(Br)c2)CC1)C[C@]1(O)CCOC1 ZINC001169154803 1079168138 /nfs/dbraw/zinc/16/81/38/1079168138.db2.gz ZANDYDGQCBUGQA-MAUKXSAKSA-N 0 3 400.313 2.195 20 0 HEADHN O=C(Nc1c[nH]nc1[C@H]1CCCN(C[C@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187631 1079177634 /nfs/dbraw/zinc/17/76/34/1079177634.db2.gz JIDYBZHDVAHLFO-ZWKOTPCHSA-N 0 3 420.554 2.010 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N[C@H](CF)c1ccccc1 ZINC001169175091 1079189235 /nfs/dbraw/zinc/18/92/35/1079189235.db2.gz KKHACPJLPYTSHW-DOTOQJQBSA-N 0 3 401.486 2.293 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1nc2ccccc2o1 ZINC001169206240 1079194896 /nfs/dbraw/zinc/19/48/96/1079194896.db2.gz HXPLHOFJZPZPNN-HNNXBMFYSA-N 0 3 424.505 2.266 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N(C)Cc1ccc(F)cc1F ZINC001169214177 1079198201 /nfs/dbraw/zinc/19/82/01/1079198201.db2.gz XUYNYBJCRKNSQA-AWEZNQCLSA-N 0 3 419.476 2.403 20 0 HEADHN CC(=O)Oc1cc2cc(-n3nncc3CN)c(OC(C)=O)cc2cc1Br ZINC001169312181 1079224436 /nfs/dbraw/zinc/22/44/36/1079224436.db2.gz QJUPJMMVUSSAFH-UHFFFAOYSA-N 0 3 419.235 2.492 20 0 HEADHN CC(=O)N1CCOC[C@@]2(CN(C3CCC(OC(=O)c4ccccc4)CC3)CCO2)C1 ZINC001169297294 1079227634 /nfs/dbraw/zinc/22/76/34/1079227634.db2.gz INQGOMYCYLTCEZ-BBHUYCHWSA-N 0 3 416.518 2.104 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCCN1CC[C@H](C)C1)C(C)C ZINC000771219207 1079233038 /nfs/dbraw/zinc/23/30/38/1079233038.db2.gz FKGAUSQTOQTNGY-KRWDZBQOSA-N 0 3 402.539 2.344 20 0 HEADHN CCCN(C(=O)c1ccccc1NC(=O)C(=O)NCCN1CC[C@@H](C)C1)C(C)C ZINC000771219208 1079233254 /nfs/dbraw/zinc/23/32/54/1079233254.db2.gz FKGAUSQTOQTNGY-QGZVFWFLSA-N 0 3 402.539 2.344 20 0 HEADHN COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2CN(C)C)C1=O ZINC000771262906 1079252170 /nfs/dbraw/zinc/25/21/70/1079252170.db2.gz GPGSDIUJIXGHTF-QHCPKHFHSA-N 0 3 424.501 2.471 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CCC[C@@]3(C[C@H](OCc4ccccn4)CO3)C2)CO1 ZINC001169384187 1079255049 /nfs/dbraw/zinc/25/50/49/1079255049.db2.gz DVHHUNYOMDWCOT-FCIYXJNOSA-N 0 3 404.507 2.332 20 0 HEADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(CN(C)C)c2)C1=O ZINC000771277924 1079264736 /nfs/dbraw/zinc/26/47/36/1079264736.db2.gz WSGDTMKSDBRYSX-QFIPXVFZSA-N 0 3 410.474 2.163 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)CO1 ZINC001169390482 1079260247 /nfs/dbraw/zinc/26/02/47/1079260247.db2.gz VQHVVPIQEJVUJS-VWNVYAMZSA-N 0 3 404.507 2.442 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391796 1079261861 /nfs/dbraw/zinc/26/18/61/1079261861.db2.gz KDNJDDXLMAGQMQ-LQBOVUBWSA-N 0 3 421.513 2.250 20 0 HEADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(CCN(C)C)c2ccccc2)C1=O ZINC000771312512 1079279307 /nfs/dbraw/zinc/27/93/07/1079279307.db2.gz OHYSZGUKSJXCMA-HSZRJFAPSA-N 0 3 424.501 2.057 20 0 HEADHN CC(C)[C@@H](CNC(=O)NC(C)(C)CCN1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000771324771 1079287734 /nfs/dbraw/zinc/28/77/34/1079287734.db2.gz SKJPFXVITVWIMF-QGZVFWFLSA-N 0 3 413.607 2.251 20 0 HEADHN CC(C)[C@H](CNC(=O)NC(C)(C)CCN1CCN(C)CC1)NC(=O)OC(C)(C)C ZINC000771324769 1079287849 /nfs/dbraw/zinc/28/78/49/1079287849.db2.gz SKJPFXVITVWIMF-KRWDZBQOSA-N 0 3 413.607 2.251 20 0 HEADHN NC(=O)c1cc(Oc2cccc(OC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)c2)ccn1 ZINC000766723923 1079313160 /nfs/dbraw/zinc/31/31/60/1079313160.db2.gz HFLHCOJKQDPHAZ-ZFWWWQNUSA-N 0 3 423.347 2.335 20 0 HEADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001169527861 1079323715 /nfs/dbraw/zinc/32/37/15/1079323715.db2.gz QZBHETYDXIAJCT-BQFCYCMXSA-N 0 3 421.588 2.442 20 0 HEADHN CN(C)S(=O)(=O)n1cnc(-c2ccccc2N2CCCc3ccc(CN)nc32)c1 ZINC001169590717 1079336817 /nfs/dbraw/zinc/33/68/17/1079336817.db2.gz LKPXDVVAJVIJPZ-UHFFFAOYSA-N 0 3 412.519 2.143 20 0 HEADHN O=Cc1ccc(OCC(=O)NC2CCN([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000771582922 1079380544 /nfs/dbraw/zinc/38/05/44/1079380544.db2.gz OAGOIDFIULCABY-OAHLLOKOSA-N 0 3 411.296 2.010 20 0 HEADHN CCOC(=O)N1CCC[C@H](N2CC[C@](NC(=O)OC(C)(C)C)(C(=O)OC)C2)CC1 ZINC001169710195 1079381359 /nfs/dbraw/zinc/38/13/59/1079381359.db2.gz MSLSLPJJWFVJBY-MGPUTAFESA-N 0 3 413.515 2.140 20 0 HEADHN Cn1cc([C@H]2CC(=O)NC23CCN([C@H]2CCCN(C(=O)c4ccccc4)C2)CC3)cn1 ZINC001169775163 1079396042 /nfs/dbraw/zinc/39/60/42/1079396042.db2.gz ZVIWDEHIMKJDOV-LEWJYISDSA-N 0 3 421.545 2.163 20 0 HEADHN O=C(c1ccccc1)N1CCC[C@@H](N2CCc3ncc(Cn4cccn4)n3CC2)C1 ZINC001169769204 1079402923 /nfs/dbraw/zinc/40/29/23/1079402923.db2.gz DXMUYDYQMSZRSU-HXUWFJFHSA-N 0 3 404.518 2.291 20 0 HEADHN CCCCCCN(C)CC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000771657608 1079428587 /nfs/dbraw/zinc/42/85/87/1079428587.db2.gz FPUMGFWUKYWCHY-QGZVFWFLSA-N 0 3 401.507 2.022 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000771664409 1079433014 /nfs/dbraw/zinc/43/30/14/1079433014.db2.gz XIJXKMBZNATRSE-CQSZACIVSA-N 0 3 406.518 2.067 20 0 HEADHN CCCN1CCC[C@@H]1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000766854594 1079440680 /nfs/dbraw/zinc/44/06/80/1079440680.db2.gz QRNMHYYFYJJXJW-OAHLLOKOSA-N 0 3 408.442 2.350 20 0 HEADHN CC[C@@]1(C(C)C)NC(=O)N(CN2CCN(CCN(C)Cc3ccccc3)CC2)C1=O ZINC000738042690 1075956220 /nfs/dbraw/zinc/95/62/20/1075956220.db2.gz WIHNCPOOBSFDDX-QHCPKHFHSA-N 0 3 415.582 2.050 20 0 HEADHN Cc1ccsc1-c1nn(CN2CCN(C(=O)CN3CCCC3)CC2)c(=S)o1 ZINC000738161809 1075971294 /nfs/dbraw/zinc/97/12/94/1075971294.db2.gz VEOBPKOIGPQNOG-UHFFFAOYSA-N 0 3 407.565 2.440 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cn2nc3sc4ccccc4n3c2=S)CC1 ZINC000738162391 1075971461 /nfs/dbraw/zinc/97/14/61/1075971461.db2.gz YAIXOWBERKPDQW-UHFFFAOYSA-N 0 3 416.576 2.277 20 0 HEADHN COC(=O)c1c(C)c(C)sc1NC(=O)CN1CCCN(C[C@@H]2CCCO2)CC1 ZINC000738317753 1075988807 /nfs/dbraw/zinc/98/88/07/1075988807.db2.gz NCYZAXLGQNSOLO-INIZCTEOSA-N 0 3 409.552 2.277 20 0 HEADHN Cc1cccc(OC[C@H](O)CN(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000738881487 1076021144 /nfs/dbraw/zinc/02/11/44/1076021144.db2.gz JHWQBUXVWDLDMY-LJQANCHMSA-N 0 3 407.555 2.219 20 0 HEADHN CS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CN3CCCC3)C2)ccc1Br ZINC000739788625 1076075201 /nfs/dbraw/zinc/07/52/01/1076075201.db2.gz QZHKMFUGFFDVKA-ZDUSSCGKSA-N 0 3 415.353 2.411 20 0 HEADHN CN1CCN(CCCNC(=O)NC[C@H](O)c2ccsc2)[C@@H](c2ccccc2)C1 ZINC000740033659 1076097418 /nfs/dbraw/zinc/09/74/18/1076097418.db2.gz MQKNVHZDCXSDIW-UXHICEINSA-N 0 3 402.564 2.460 20 0 HEADHN CS(=O)(=O)[C@H]1CCC[C@@H](NC(=S)NC2CCN(Cc3ccccc3)CC2)C1 ZINC000740770229 1076236003 /nfs/dbraw/zinc/23/60/03/1076236003.db2.gz IEEGKTPCFKTDNB-MOPGFXCFSA-N 0 3 409.621 2.471 20 0 HEADHN CN(C)CCN(Cc1ccccn1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000740823601 1076247234 /nfs/dbraw/zinc/24/72/34/1076247234.db2.gz CPMSMDFUVQZTTC-UHFFFAOYSA-N 0 3 411.474 2.211 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@H](CCO)c1ccccc1 ZINC000740899166 1076296471 /nfs/dbraw/zinc/29/64/71/1076296471.db2.gz VEWJYDJGMJERRD-DLBZAZTESA-N 0 3 411.955 2.460 20 0 HEADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC3CCN(CCOC)CC3)ccc2NC1=O ZINC000466748648 1076349745 /nfs/dbraw/zinc/34/97/45/1076349745.db2.gz ANVPXSLBFQEACC-KSSFIOAISA-N 0 3 404.511 2.267 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NC[C@](C)(O)CCC(C)C)cc2)CC1 ZINC000741104415 1076376949 /nfs/dbraw/zinc/37/69/49/1076376949.db2.gz BRCLGJNTMOPHOY-JOCHJYFZSA-N 0 3 404.555 2.070 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CCO1 ZINC000741221680 1076410418 /nfs/dbraw/zinc/41/04/18/1076410418.db2.gz BPAOGESFKQQBOE-APWZRJJASA-N 0 3 414.424 2.232 20 0 HEADHN O=C(NCc1ccc(N2CCCC2=O)cc1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000741404446 1076512193 /nfs/dbraw/zinc/51/21/93/1076512193.db2.gz CLECQEBDVQXYLH-DEOSSOPVSA-N 0 3 422.529 2.250 20 0 HEADHN CCN(CCNC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741406304 1076512425 /nfs/dbraw/zinc/51/24/25/1076512425.db2.gz ATOKJAYWNJXAJF-JOCHJYFZSA-N 0 3 420.554 2.180 20 0 HEADHN CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)[C@H]1CCCN(C)C1 ZINC000741626953 1076570968 /nfs/dbraw/zinc/57/09/68/1076570968.db2.gz YSMZGDNLDFPVIY-CVDCTZTESA-N 0 3 408.502 2.159 20 0 HEADHN CC(C)c1ccc(N2CC[C@@H](C(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000741691207 1076588091 /nfs/dbraw/zinc/58/80/91/1076588091.db2.gz KMHUYEPDKKWBLE-RXVVDRJESA-N 0 3 400.567 2.163 20 0 HEADHN NC(=O)c1ccsc1NC(=O)CCN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000741777490 1076623889 /nfs/dbraw/zinc/62/38/89/1076623889.db2.gz HNIORTZIJGIZSO-UHFFFAOYSA-N 0 3 416.503 2.232 20 0 HEADHN O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CN1CC[C@@H](N2CC=CC2)C1 ZINC000742163131 1076760553 /nfs/dbraw/zinc/76/05/53/1076760553.db2.gz QCZVKHTXKPYHAS-OAQYLSRUSA-N 0 3 402.498 2.386 20 0 HEADHN C[C@@H]1CN(C)CC[C@H]1N(C)S(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742303851 1076812693 /nfs/dbraw/zinc/81/26/93/1076812693.db2.gz BLDKGKGIQAXJCX-MISYRCLQSA-N 0 3 423.579 2.389 20 0 HEADHN C[C@@H]1CN(C)CC[C@@H]1N(C)S(=O)(=O)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000742304387 1076813081 /nfs/dbraw/zinc/81/30/81/1076813081.db2.gz FPVYDQCJTAXERA-XLIONFOSSA-N 0 3 423.579 2.389 20 0 HEADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)C1 ZINC000742345361 1076831876 /nfs/dbraw/zinc/83/18/76/1076831876.db2.gz RSKZKNMIZZURAK-CYBMUJFWSA-N 0 3 419.341 2.341 20 0 HEADHN Cc1ccc([C@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)N(C)C)cc1 ZINC000742396944 1076834049 /nfs/dbraw/zinc/83/40/49/1076834049.db2.gz JEAIFHBDWMKRFC-GBXCKJPGSA-N 0 3 422.529 2.490 20 0 HEADHN CCN(CC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)CC(=O)OC ZINC000742594087 1076854540 /nfs/dbraw/zinc/85/45/40/1076854540.db2.gz KUYMQDMOXSSGRZ-UHFFFAOYSA-N 0 3 424.545 2.442 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000742614610 1076856650 /nfs/dbraw/zinc/85/66/50/1076856650.db2.gz KLPDXJUBSWXCFX-INIZCTEOSA-N 0 3 408.543 2.428 20 0 HEADHN C[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CCN1Cc1ccccc1 ZINC000742961886 1076908784 /nfs/dbraw/zinc/90/87/84/1076908784.db2.gz YNDLPIWHFUZOJA-PGRDOPGGSA-N 0 3 419.529 2.230 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)Nc3ccn(Cc4ccccn4)n3)cc2)CC1 ZINC000743168054 1076986389 /nfs/dbraw/zinc/98/63/89/1076986389.db2.gz ZQKYLMQBIDJPNH-UHFFFAOYSA-N 0 3 419.533 2.396 20 0 HEADHN CC(C)[C@H](CNC(=O)Nc1ccc(N2CCO[C@H](C)C2)cc1)N1CCN(C)CC1 ZINC000743171374 1076987367 /nfs/dbraw/zinc/98/73/67/1076987367.db2.gz QPQANZJQOWBTIE-NQIIRXRSSA-N 0 3 403.571 2.305 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1ccn(Cc2ccccn2)n1 ZINC000743172835 1076988260 /nfs/dbraw/zinc/98/82/60/1076988260.db2.gz YPIBRAIZWCHLHI-QFIPXVFZSA-N 0 3 406.490 2.085 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 ZINC000743232459 1077008522 /nfs/dbraw/zinc/00/85/22/1077008522.db2.gz GNSYIJARUUFZMJ-INIZCTEOSA-N 0 3 419.526 2.047 20 0 HEADHN CC(C)CN1CCO[C@@H](CNc2ccnc(NC[C@H]3CN(CC(C)C)CCO3)n2)C1 ZINC000743300807 1077022179 /nfs/dbraw/zinc/02/21/79/1077022179.db2.gz YFBLVBXTJJIRAY-PMACEKPBSA-N 0 3 420.602 2.014 20 0 HEADHN C[C@@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)C[C@H](C)S1 ZINC000743376009 1077044262 /nfs/dbraw/zinc/04/42/62/1077044262.db2.gz IPTIYOCGPBUNRQ-LLGFUMIMSA-N 0 3 402.564 2.356 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000743622442 1077076415 /nfs/dbraw/zinc/07/64/15/1077076415.db2.gz GWMDAXGZNDHTED-KURKYZTESA-N 0 3 412.575 2.480 20 0 HEADHN CCN(CC1CCN(c2ccccn2)CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000743594016 1077077964 /nfs/dbraw/zinc/07/79/64/1077077964.db2.gz LFSGBEINTIDSNL-WOJBJXKFSA-N 0 3 401.555 2.193 20 0 HEADHN Cc1ccc(S(=O)(=O)NCCN(C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000743866276 1077151101 /nfs/dbraw/zinc/15/11/01/1077151101.db2.gz BDKWMQREHVUNJM-QGZVFWFLSA-N 0 3 411.568 2.462 20 0 HEADHN COC(=O)CCN(CC(=O)N(C)Cc1c(F)cccc1Cl)C1CCOCC1 ZINC000743871665 1077156009 /nfs/dbraw/zinc/15/60/09/1077156009.db2.gz QRMXYOSZBMSSCI-UHFFFAOYSA-N 0 3 400.878 2.482 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000743877212 1077159540 /nfs/dbraw/zinc/15/95/40/1077159540.db2.gz LUEBGKCMBNDGDG-LJQANCHMSA-N 0 3 424.501 2.179 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cccc1N1CCOC1=O ZINC000743885178 1077176104 /nfs/dbraw/zinc/17/61/04/1077176104.db2.gz TXKZMCGMXYOMJY-LSDHHAIUSA-N 0 3 402.495 2.269 20 0 HEADHN Cc1ccc(N2CCOC2=O)cc1NC(=O)C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000743898221 1077210838 /nfs/dbraw/zinc/21/08/38/1077210838.db2.gz AVILCGQYNGOCPI-INIZCTEOSA-N 0 3 402.495 2.127 20 0 HEADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CC[C@H](SC)C3)cc2)CC1 ZINC000743968790 1077273248 /nfs/dbraw/zinc/27/32/48/1077273248.db2.gz SMDLYDODZOYPSY-OALUTQOASA-N 0 3 404.580 2.163 20 0 HEADHN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743978658 1077291195 /nfs/dbraw/zinc/29/11/95/1077291195.db2.gz MOECPBUBHUDSFU-FUHWJXTLSA-N 0 3 414.550 2.406 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000743978711 1077291662 /nfs/dbraw/zinc/29/16/62/1077291662.db2.gz NIZSQMAQWWVKDD-LLVKDONJSA-N 0 3 411.384 2.294 20 0 HEADHN COc1ccc(NC(=O)c2ccc(NC(=O)C(=O)NCCN3CCC[C@@H]3C)cc2)cc1 ZINC000743981391 1077294439 /nfs/dbraw/zinc/29/44/39/1077294439.db2.gz QJRFEMVZFWVOTH-INIZCTEOSA-N 0 3 424.501 2.487 20 0 HEADHN Cc1[nH]nc2ncc(C(=O)OCC(=O)N3CCCN(Cc4ccccc4C)CC3)cc12 ZINC000744779662 1077581448 /nfs/dbraw/zinc/58/14/48/1077581448.db2.gz XAQKTJSBBLZUPA-UHFFFAOYSA-N 0 3 421.501 2.466 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H]3CCCCN3CC)cc2)CC1 ZINC000745082879 1077735467 /nfs/dbraw/zinc/73/54/67/1077735467.db2.gz JLUQBDBYQUKJKI-HXUWFJFHSA-N 0 3 402.539 2.185 20 0 HEADHN O=C(CN(CCCOc1ccccc1)C1CCOCC1)N1CCC2(CC1)OCCO2 ZINC000766930400 1079510329 /nfs/dbraw/zinc/51/03/29/1079510329.db2.gz QFWFGZPCODVIHN-UHFFFAOYSA-N 0 3 418.534 2.302 20 0 HEADHN O=C(CN[C@@H](CCO)C1CC1)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000771794699 1079511427 /nfs/dbraw/zinc/51/14/27/1079511427.db2.gz HXHXUGQDOBXBCZ-IBGZPJMESA-N 0 3 406.479 2.348 20 0 HEADHN CN(C)[C@H](CNC(=O)CN1CCN(Cc2ccc(Cl)nc2)CC1)c1ccccc1 ZINC000771760869 1079514789 /nfs/dbraw/zinc/51/47/89/1079514789.db2.gz KJFACLDNKNFVON-HXUWFJFHSA-N 0 3 415.969 2.272 20 0 HEADHN C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000766959312 1079522527 /nfs/dbraw/zinc/52/25/27/1079522527.db2.gz FCFAXZRMWFMNNR-BVYCBKJFSA-N 0 3 411.550 2.045 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N1CCc2sc(Br)cc2C1 ZINC000771975680 1079617514 /nfs/dbraw/zinc/61/75/14/1079617514.db2.gz DYPCDHCDTWBENO-QWHCGFSZSA-N 0 3 400.342 2.442 20 0 HEADHN C[C@H](CNS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1)N1CCC[C@H](C)C1 ZINC000767081541 1079652602 /nfs/dbraw/zinc/65/26/02/1079652602.db2.gz RCOVSUALCFMKPL-JKSUJKDBSA-N 0 3 403.589 2.426 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000772229152 1079751661 /nfs/dbraw/zinc/75/16/61/1079751661.db2.gz XSXCQFURJQVMAR-RTWAWAEBSA-N 0 3 421.497 2.206 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000772411754 1079847214 /nfs/dbraw/zinc/84/72/14/1079847214.db2.gz ZAUZYSSVXRAKFJ-FGTMMUONSA-N 0 3 411.591 2.100 20 0 HEADHN Cn1nnnc1CCN[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccccc21 ZINC000772464881 1079890185 /nfs/dbraw/zinc/89/01/85/1079890185.db2.gz GICMFNDUOJDKEG-KKSFZXQISA-N 0 3 414.510 2.246 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCc3cnc(C)s3)c(C)c2)CC1 ZINC000772535862 1079919003 /nfs/dbraw/zinc/91/90/03/1079919003.db2.gz DCMFBEFDKFTWBF-UHFFFAOYSA-N 0 3 415.563 2.199 20 0 HEADHN Cc1ncc(CCNC(=O)C(=O)Nc2ccc(CCN3CCSCC3)cc2)s1 ZINC000772538599 1079921485 /nfs/dbraw/zinc/92/14/85/1079921485.db2.gz VWIFSXVTOXPOBQ-UHFFFAOYSA-N 0 3 418.588 2.340 20 0 HEADHN CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000772647456 1080010498 /nfs/dbraw/zinc/01/04/98/1080010498.db2.gz YWSDDHFZRFXTAQ-QGZVFWFLSA-N 0 3 416.349 2.430 20 0 HEADHN CSC[C@H]1CCCN1CN1C(=O)N[C@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000767769604 1080078222 /nfs/dbraw/zinc/07/82/22/1080078222.db2.gz BJGUCNSSVNAUBN-NQIIRXRSSA-N 0 3 402.564 2.358 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCCC1 ZINC000785565694 1080080356 /nfs/dbraw/zinc/08/03/56/1080080356.db2.gz KGROLZALAOAQHD-KRWDZBQOSA-N 0 3 420.985 2.411 20 0 HEADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NC[C@@H](O)c1ccc(F)cc1 ZINC000767780383 1080085009 /nfs/dbraw/zinc/08/50/09/1080085009.db2.gz RRZPWIPCHHICES-JOCHJYFZSA-N 0 3 414.525 2.366 20 0 HEADHN CCOc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(C[C@@H]3CCCN3CC)C2)cc1 ZINC000785641186 1080088404 /nfs/dbraw/zinc/08/84/04/1080088404.db2.gz HZXPKKQGAVMXJF-ROUUACIJSA-N 0 3 402.491 2.144 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)N(C)Cc3ncnn3CC(F)F)cc2)CC1 ZINC000785641126 1080088499 /nfs/dbraw/zinc/08/84/99/1080088499.db2.gz HLWWVFBNPAVZDT-UHFFFAOYSA-N 0 3 407.469 2.349 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)C2CCC(F)(F)CC2)CC1=O ZINC000785652133 1080106209 /nfs/dbraw/zinc/10/62/09/1080106209.db2.gz XGRYTTYSGFUASU-HZPDHXFCSA-N 0 3 400.466 2.257 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)CC1=O ZINC000785657377 1080176958 /nfs/dbraw/zinc/17/69/58/1080176958.db2.gz VYJXCYHRKBXKLA-MJGOQNOKSA-N 0 3 415.534 2.499 20 0 HEADHN CNC(=O)[C@@H](Cc1ccccc1)OC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785709067 1080216599 /nfs/dbraw/zinc/21/65/99/1080216599.db2.gz HHAPJQBIBIKIKL-JOCHJYFZSA-N 0 3 410.514 2.405 20 0 HEADHN Cc1nn(C)c(C)c1NC(=O)COC(=O)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000785709605 1080218579 /nfs/dbraw/zinc/21/85/79/1080218579.db2.gz LNCBQYLUHGLPAR-UHFFFAOYSA-N 0 3 414.506 2.037 20 0 HEADHN Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(CN3CCC(CO)CC3)cc2)on1 ZINC000785710854 1080219243 /nfs/dbraw/zinc/21/92/43/1080219243.db2.gz GAGLWBVFBCLNAC-OAHLLOKOSA-N 0 3 401.463 2.371 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000785712331 1080220201 /nfs/dbraw/zinc/22/02/01/1080220201.db2.gz HXQLJRILEZHTPU-LJQANCHMSA-N 0 3 402.491 2.241 20 0 HEADHN O=C(COC(=O)c1cccc(CN2CCCC2)c1)NC[C@H]1COc2ccccc2O1 ZINC000785710527 1080220267 /nfs/dbraw/zinc/22/02/67/1080220267.db2.gz XKQGHOHBEUOXSV-IBGZPJMESA-N 0 3 410.470 2.395 20 0 HEADHN CCC[C@H](C)[C@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000767907682 1080223373 /nfs/dbraw/zinc/22/33/73/1080223373.db2.gz RHIPRKZRHXIRHK-REDKUUPNSA-N 0 3 416.522 2.394 20 0 HEADHN CCN1CCC(N(C)C(=O)C2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)C3=O)CC1 ZINC000767946527 1080237444 /nfs/dbraw/zinc/23/74/44/1080237444.db2.gz FHIIZFBUDAIMQR-ALOPSCKCSA-N 0 3 407.555 2.391 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(Cc2ccnc(N)c2)C1 ZINC000785770031 1080239473 /nfs/dbraw/zinc/23/94/73/1080239473.db2.gz VPLTWRHGOLFFEP-ROUUACIJSA-N 0 3 417.554 2.392 20 0 HEADHN CC[C@@]1(C)CC(=O)N(CN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000767972838 1080243911 /nfs/dbraw/zinc/24/39/11/1080243911.db2.gz SEQBWXXPEBLDKC-CVDCTZTESA-N 0 3 413.566 2.048 20 0 HEADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000785810907 1080253838 /nfs/dbraw/zinc/25/38/38/1080253838.db2.gz WVIYHFLSYYGOCZ-AZUAARDMSA-N 0 3 415.534 2.357 20 0 HEADHN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC000768033047 1080276118 /nfs/dbraw/zinc/27/61/18/1080276118.db2.gz ZODDJZGTXUOYDI-JKSUJKDBSA-N 0 3 407.511 2.272 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@H](O)c3ccccc3)c2)CC1 ZINC000768013458 1080281888 /nfs/dbraw/zinc/28/18/88/1080281888.db2.gz SAOCBPDSKYVRGD-OAQYLSRUSA-N 0 3 410.518 2.005 20 0 HEADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C ZINC000768017975 1080285580 /nfs/dbraw/zinc/28/55/80/1080285580.db2.gz XUALLEOIKGIHBK-UHFFFAOYSA-N 0 3 414.481 2.056 20 0 HEADHN Cc1ccccc1[C@H](O)CNC(=O)C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000768067733 1080303120 /nfs/dbraw/zinc/30/31/20/1080303120.db2.gz HCFKJYWJJUUTGL-JOCHJYFZSA-N 0 3 424.545 2.314 20 0 HEADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)NC[C@@](C)(O)c3ccccc3)c2)CC1 ZINC000768073705 1080326655 /nfs/dbraw/zinc/32/66/55/1080326655.db2.gz GXUCFHIWIISCDB-XMMPIXPASA-N 0 3 424.545 2.179 20 0 HEADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)N(C)C ZINC000786024360 1080339477 /nfs/dbraw/zinc/33/94/77/1080339477.db2.gz DNWZGRICGBXUDI-JXFKEZNVSA-N 0 3 406.490 2.322 20 0 HEADHN CC[C@@H](CN1CCCC1)NC(=O)C1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)C2=O ZINC000768149578 1080356601 /nfs/dbraw/zinc/35/66/01/1080356601.db2.gz SHHBMTYVMOLDTC-FBVQUNGASA-N 0 3 407.555 2.439 20 0 HEADHN Cc1c(C(=O)N2CCC[C@H](c3nccn3C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC000768158581 1080376984 /nfs/dbraw/zinc/37/69/84/1080376984.db2.gz XHBRVOFMHIVPPN-SFHVURJKSA-N 0 3 419.533 2.317 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)/C(=C/c2ccccc2)n2nnnc2C)CC1 ZINC001169989130 1080396755 /nfs/dbraw/zinc/39/67/55/1080396755.db2.gz CDHXNNZMRWUOAC-JZJYNLBNSA-N 0 3 410.522 2.083 20 0 HEADHN C[C@@H](CC(F)(F)F)N[C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000768270802 1080452313 /nfs/dbraw/zinc/45/23/13/1080452313.db2.gz CXBXCPFILPIOCH-QWRGUYRKSA-N 0 3 402.460 2.404 20 0 HEADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccccc1CN(C)C ZINC000768327404 1080488068 /nfs/dbraw/zinc/48/80/68/1080488068.db2.gz NMPYGFNGYJNWIX-SFHVURJKSA-N 0 3 406.527 2.352 20 0 HEADHN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000746587830 1080632720 /nfs/dbraw/zinc/63/27/20/1080632720.db2.gz CYFHWYIYBKCYNM-UHFFFAOYSA-N 0 3 419.448 2.410 20 0 HEADHN C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCS(=O)(=O)c1ccccc1 ZINC000768689055 1080748447 /nfs/dbraw/zinc/74/84/47/1080748447.db2.gz PIUFFABBLGFPMZ-SJORKVTESA-N 0 3 412.552 2.464 20 0 HEADHN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1CNCCc1ccc2c(c1)OCO2 ZINC000743767793 1080791987 /nfs/dbraw/zinc/79/19/87/1080791987.db2.gz CTGZFXKNLLXKMJ-CQSZACIVSA-N 0 3 411.911 2.266 20 0 HEADHN O=C(CCNS(=O)(=O)c1cccs1)OCC1CCN(Cc2ccco2)CC1 ZINC000772689466 1080820280 /nfs/dbraw/zinc/82/02/80/1080820280.db2.gz ITVPVWCJZFIXBC-UHFFFAOYSA-N 0 3 412.533 2.465 20 0 HEADHN C[C@H](NS(=O)(=O)c1cccs1)C(=O)OCC1CCN(Cc2ccco2)CC1 ZINC000772689826 1080838124 /nfs/dbraw/zinc/83/81/24/1080838124.db2.gz HUWRMKWQMCZCHB-AWEZNQCLSA-N 0 3 412.533 2.463 20 0 HEADHN Cn1cc(-c2cc(CON=C(N)CCN3CCN(Cc4ccccc4)CC3)on2)cn1 ZINC000768923192 1080860056 /nfs/dbraw/zinc/86/00/56/1080860056.db2.gz PTTNGZVAURLCPH-UHFFFAOYSA-N 0 3 423.521 2.281 20 0 HEADHN CCN1CCN([C@@H](C)CNS(=O)(=O)/C=C\c2ccccc2Br)CC1 ZINC000786868827 1080862098 /nfs/dbraw/zinc/86/20/98/1080862098.db2.gz JAZUDFJQOHDJER-ODDCISTRSA-N 0 3 416.385 2.365 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000786878769 1080867315 /nfs/dbraw/zinc/86/73/15/1080867315.db2.gz ALMWYXRKIXNXJH-QGZVFWFLSA-N 0 3 400.523 2.208 20 0 HEADHN O=C(COC(=O)[C@H]1CCCN1C1CCCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000786885604 1080886101 /nfs/dbraw/zinc/88/61/01/1080886101.db2.gz YHEUUUMEZKYKSC-HXUWFJFHSA-N 0 3 421.582 2.088 20 0 HEADHN Cc1n[nH]c(C)c1CN1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769023895 1080888244 /nfs/dbraw/zinc/88/82/44/1080888244.db2.gz MENNWIXHJNNOEM-QGZVFWFLSA-N 0 3 405.543 2.318 20 0 HEADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000769029406 1080890081 /nfs/dbraw/zinc/89/00/81/1080890081.db2.gz VHUMWDKFOJCZNU-IBGZPJMESA-N 0 3 407.511 2.360 20 0 HEADHN CCNC(=O)COc1ccc(CN2CCC(OC[C@H]3CCCO3)CC2)cc1OC ZINC000769192918 1080965813 /nfs/dbraw/zinc/96/58/13/1080965813.db2.gz VUWDKACDKPAECK-LJQANCHMSA-N 0 3 406.523 2.370 20 0 HEADHN CCO[C@@H]1C[C@H](NCC(=O)Nc2cc(-n3cnnn3)ccc2F)C12CCCCC2 ZINC001170002530 1081000748 /nfs/dbraw/zinc/00/07/48/1081000748.db2.gz NPJCYKVDIYNPKX-ZWKOTPCHSA-N 0 3 402.474 2.457 20 0 HEADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000769267537 1081023126 /nfs/dbraw/zinc/02/31/26/1081023126.db2.gz MEVOOXXMZAIYDL-NRFANRHFSA-N 0 3 420.517 2.479 20 0 HEADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000769269521 1081023911 /nfs/dbraw/zinc/02/39/11/1081023911.db2.gz ZKNXKDZYLCJMFP-HXUWFJFHSA-N 0 3 420.517 2.479 20 0 HEADHN O=C(CN1CCCC1)N1CCN(Cc2ccccc2I)CC1 ZINC000769316640 1081040225 /nfs/dbraw/zinc/04/02/25/1081040225.db2.gz MQVQOKYNBZKXFH-UHFFFAOYSA-N 0 3 413.303 2.031 20 0 HEADHN CCOC(=O)C1CCN(C(=O)CN(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000746660880 1081054029 /nfs/dbraw/zinc/05/40/29/1081054029.db2.gz GQMCBYLIXAXKEI-UHFFFAOYSA-N 0 3 411.543 2.119 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000769336463 1081061428 /nfs/dbraw/zinc/06/14/28/1081061428.db2.gz AQTCTKGLHMZGKP-HIFRSBDPSA-N 0 3 407.383 2.312 20 0 HEADHN CC(C)[C@@H](CNC(=O)N1CCN(C2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000787243834 1081067306 /nfs/dbraw/zinc/06/73/06/1081067306.db2.gz RABSXYRQIKCUTC-SJLPKXTDSA-N 0 3 412.575 2.430 20 0 HEADHN CC[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769483130 1081079099 /nfs/dbraw/zinc/07/90/99/1081079099.db2.gz GNHQRRGZVSGSEZ-MOPGFXCFSA-N 0 3 418.586 2.354 20 0 HEADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000787232563 1081081122 /nfs/dbraw/zinc/08/11/22/1081081122.db2.gz PWLVZJRJGGFRAT-MSOLQXFVSA-N 0 3 403.523 2.184 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000787265361 1081099692 /nfs/dbraw/zinc/09/96/92/1081099692.db2.gz ZLDNVTWCISCOPL-CRAIPNDOSA-N 0 3 410.559 2.184 20 0 HEADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2ccccc2OC)nnc1Cl ZINC001164630596 719138608 /nfs/dbraw/zinc/13/86/08/719138608.db2.gz JOWANNMZTSXNSP-AWEZNQCLSA-N 0 3 412.824 2.302 20 0 HEADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2ccc(OC)cc2)nnc1Cl ZINC001164629767 719138850 /nfs/dbraw/zinc/13/88/50/719138850.db2.gz DPWPBTXFZPUAIU-OAHLLOKOSA-N 0 3 412.824 2.302 20 0 HEADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2ccc(F)cc2)nnc1Cl ZINC001164633800 719138860 /nfs/dbraw/zinc/13/88/60/719138860.db2.gz SUVLYPRYIZGAFD-CQSZACIVSA-N 0 3 400.788 2.432 20 0 HEADHN CCOC(=O)c1cc(Cl)nc(N2CCC3(CCCN3CC(=O)NC)CC2)c1C ZINC001164687232 719718081 /nfs/dbraw/zinc/71/80/81/719718081.db2.gz VGPSLFULQSZIGP-UHFFFAOYSA-N 0 3 408.930 2.401 20 0 HEADHN O=C(NC1CCCCC1)c1cccnc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745741 720627786 /nfs/dbraw/zinc/62/77/86/720627786.db2.gz WHBGMSRMHYRQLG-OALUTQOASA-N 0 3 422.533 2.276 20 0 HEADHN COC(=O)c1ccc2c(ccnc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737932 720677221 /nfs/dbraw/zinc/67/72/21/720677221.db2.gz HTRNWDSJDCWGHZ-MSOLQXFVSA-N 0 3 405.458 2.153 20 0 HEADHN COC(=O)c1ccc2c(ccnc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737935 720677554 /nfs/dbraw/zinc/67/75/54/720677554.db2.gz HTRNWDSJDCWGHZ-QZTJIDSGSA-N 0 3 405.458 2.153 20 0 HEADHN COc1cc2cnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)cc2cc1OC ZINC001164745321 720772341 /nfs/dbraw/zinc/77/23/41/720772341.db2.gz VCZPXTUTGXHLLH-ROUUACIJSA-N 0 3 407.474 2.384 20 0 HEADHN Clc1cc(-c2ccncc2)nc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741650 720802059 /nfs/dbraw/zinc/80/20/59/720802059.db2.gz BPFAHEMEEJGBRD-JKSUJKDBSA-N 0 3 409.881 2.324 20 0 HEADHN O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(c1ncccc1CN1CCCC1)C2 ZINC001164848019 720817605 /nfs/dbraw/zinc/81/76/05/720817605.db2.gz BMZUOGSLPDLLGX-RCZVLFRGSA-N 0 3 420.557 2.489 20 0 HEADHN COC(=O)c1c(Cl)ccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868637 721052719 /nfs/dbraw/zinc/05/27/19/721052719.db2.gz OXOXYWHHRFEGSD-HOTGVXAUSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ncc2c1 ZINC001164867402 721058189 /nfs/dbraw/zinc/05/81/89/721058189.db2.gz ISPWBXRNKNHBHK-PMACEKPBSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164867619 721084829 /nfs/dbraw/zinc/08/48/29/721084829.db2.gz YUGNZRKHVQFPJU-HOTGVXAUSA-N 0 3 402.882 2.396 20 0 HEADHN COCc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(SC)n1 ZINC001164867244 721085136 /nfs/dbraw/zinc/08/51/36/721085136.db2.gz XLMBQHNHCVXFOS-ROUUACIJSA-N 0 3 401.536 2.220 20 0 HEADHN CCOc1ccc(C(=O)OC)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164865710 721100484 /nfs/dbraw/zinc/10/04/84/721100484.db2.gz OUQXCTFSIKLSBN-MSOLQXFVSA-N 0 3 412.490 2.142 20 0 HEADHN O=C(c1ccnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164866339 721115498 /nfs/dbraw/zinc/11/54/98/721115498.db2.gz SMAJIAPWSRZGIS-NHCUHLMSSA-N 0 3 407.518 2.192 20 0 HEADHN O=C(c1ccnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1)N1CCCC1 ZINC001164866340 721116509 /nfs/dbraw/zinc/11/65/09/721116509.db2.gz SMAJIAPWSRZGIS-RTWAWAEBSA-N 0 3 407.518 2.192 20 0 HEADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164879846 721154900 /nfs/dbraw/zinc/15/49/00/721154900.db2.gz UMPBOURQDSMUDW-FGZHOGPDSA-N 0 3 417.513 2.166 20 0 HEADHN CCOC(=O)c1cnc(CC)nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869753 721173521 /nfs/dbraw/zinc/17/35/21/721173521.db2.gz AULBNJAHMLMLTB-ZWKOTPCHSA-N 0 3 411.506 2.090 20 0 HEADHN Cc1nc2c(nc(Cl)nc2N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1C ZINC001164764129 721190903 /nfs/dbraw/zinc/19/09/03/721190903.db2.gz GHYVSLPNMGGQIK-GJZGRUSLSA-N 0 3 400.918 2.017 20 0 HEADHN COc1ccc2cnc(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)cc2c1 ZINC001164872116 721280775 /nfs/dbraw/zinc/28/07/75/721280775.db2.gz AHQRIJZRENRLAX-UHFFFAOYSA-N 0 3 412.534 2.250 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@@H]2OCC[C@H]21 ZINC001164877419 721304563 /nfs/dbraw/zinc/30/45/63/721304563.db2.gz IRKXJEIVYAPGJB-BDTNDASRSA-N 0 3 421.545 2.230 20 0 HEADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(N5CCCCC5)ncn4)C3)O2)CC1 ZINC001164891600 721433070 /nfs/dbraw/zinc/43/30/70/721433070.db2.gz HHLAOMLFRYIVPT-NZQKXSOJSA-N 0 3 414.598 2.232 20 0 HEADHN O=C([C@@H]1CCO[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]12)N1CCCO1 ZINC001164793284 721483033 /nfs/dbraw/zinc/48/30/33/721483033.db2.gz UDJPMBGARMIYSX-AQNXPRMDSA-N 0 3 400.523 2.073 20 0 HEADHN COC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164900495 721511982 /nfs/dbraw/zinc/51/19/82/721511982.db2.gz RGQBZABHQGVVHF-UKRRQHHQSA-N 0 3 406.845 2.398 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164898821 721522972 /nfs/dbraw/zinc/52/29/72/721522972.db2.gz JKQSQSCTISLPIT-OCCSQVGLSA-N 0 3 408.836 2.454 20 0 HEADHN CCOC(=O)c1cnc(C)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164900021 721524590 /nfs/dbraw/zinc/52/45/90/721524590.db2.gz NDQJRMHJGQIHLC-AEFFLSMTSA-N 0 3 400.454 2.443 20 0 HEADHN CN(Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc3c2CCNC3)[C@H]2CCCO[C@H]12 ZINC001164803674 721535527 /nfs/dbraw/zinc/53/55/27/721535527.db2.gz IRUXBHUJYAKYCB-OTWHNJEPSA-N 0 3 414.941 2.039 20 0 HEADHN c1cncc(CN2CCOC[C@]3(CN(c4ncccc4CN4CCCC4)CCO3)C2)c1 ZINC001164915659 721800526 /nfs/dbraw/zinc/80/05/26/721800526.db2.gz XGPGGLNFBVTIKO-XMMPIXPASA-N 0 3 423.561 2.180 20 0 HEADHN CN(Cc1ccc(N2C[C@H](NC(=O)c3cscn3)[C@@H]3OCCC[C@@H]32)nc1)C1CC1 ZINC001164953831 722001708 /nfs/dbraw/zinc/00/17/08/722001708.db2.gz ZWZFNUPQZXBNOV-QRFRQXIXSA-N 0 3 413.547 2.299 20 0 HEADHN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(CN4CCCC4)cn3)CC[C@@H]21 ZINC001164969346 722081044 /nfs/dbraw/zinc/08/10/44/722081044.db2.gz JDYDWYQNAPLQIC-FKBYEOEOSA-N 0 3 408.550 2.390 20 0 HEADHN CC(C)C(=O)N1CCN(c2ccc(CN3CCCC3)cn2)C[C@]2(CCCC(=O)N2)C1 ZINC001164970467 722088336 /nfs/dbraw/zinc/08/83/36/722088336.db2.gz FEKSYWSZZWANMC-HSZRJFAPSA-N 0 3 413.566 2.021 20 0 HEADHN NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981360 722107404 /nfs/dbraw/zinc/10/74/04/722107404.db2.gz LEKAGVUIWBSNSR-PBHICJAKSA-N 0 3 419.888 2.095 20 0 HEADHN COCCn1ccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978438 722123298 /nfs/dbraw/zinc/12/32/98/722123298.db2.gz OQBUVZGLQCETND-PZJWPPBQSA-N 0 3 422.533 2.200 20 0 HEADHN O=C(CCN1CCC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc(N2CCOCC2)cc1 ZINC000769894804 1078617254 /nfs/dbraw/zinc/61/72/54/1078617254.db2.gz ANHVBNQIGJRQHT-DNVCBOLYSA-N 0 3 415.456 2.487 20 0 HEADHN C[C@@H](CNC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)CN1CCN(C)CC1 ZINC000745834019 1078660317 /nfs/dbraw/zinc/66/03/17/1078660317.db2.gz DFLGAYMEHPVWOP-AOCRQIFASA-N 0 3 411.591 2.005 20 0 HEADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000745811610 1078656392 /nfs/dbraw/zinc/65/63/92/1078656392.db2.gz YFRSZJIXTIOJAJ-MSOLQXFVSA-N 0 3 412.575 2.386 20 0 HEADHN C[C@@H](CNC(=O)NCc1ccc(Br)cc1F)CN1CCN(C)CC1 ZINC000745813602 1078657449 /nfs/dbraw/zinc/65/74/49/1078657449.db2.gz DHSQCVPVOGXODD-ZDUSSCGKSA-N 0 3 401.324 2.271 20 0 HEADHN CCOC(=O)N1CC[C@@H](N[C@@H](CN2CCC(C(N)=O)CC2)c2ccc(Cl)cc2)C1 ZINC000769987388 1078675311 /nfs/dbraw/zinc/67/53/11/1078675311.db2.gz LYJFKYITNOODFX-MOPGFXCFSA-N 0 3 422.957 2.399 20 0 HEADHN COCCN1CCC(NC(=O)C2(NC(=O)OC(C)(C)C)Cc3ccccc3C2)CC1 ZINC000746166129 1078813882 /nfs/dbraw/zinc/81/38/82/1078813882.db2.gz WRFBOCSDKZVZPO-UHFFFAOYSA-N 0 3 417.550 2.276 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)c2)CC1 ZINC000770286826 1078808673 /nfs/dbraw/zinc/80/86/73/1078808673.db2.gz PXWLECMWXBUIFU-IBGZPJMESA-N 0 3 418.538 2.403 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)cc2)CC1 ZINC000770297645 1078821186 /nfs/dbraw/zinc/82/11/86/1078821186.db2.gz KNVSHTDQGAXKOL-UHFFFAOYSA-N 0 3 424.549 2.395 20 0 HEADHN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000746228759 1078822265 /nfs/dbraw/zinc/82/22/65/1078822265.db2.gz GJJXCAISAZRTRU-GOSISDBHSA-N 0 3 402.539 2.324 20 0 HEADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000746218348 1078824537 /nfs/dbraw/zinc/82/45/37/1078824537.db2.gz FRCILNQBHQUAOK-LJQANCHMSA-N 0 3 408.527 2.310 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000770361945 1078830465 /nfs/dbraw/zinc/83/04/65/1078830465.db2.gz LWOJVWZQHRSFHS-MSOLQXFVSA-N 0 3 401.555 2.200 20 0 HEADHN C[C@@H](NC(=O)N[C@@H](C)CCN1CCN(C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000770361940 1078830562 /nfs/dbraw/zinc/83/05/62/1078830562.db2.gz LVSXLNBRBIAOOV-DLBZAZTESA-N 0 3 403.527 2.029 20 0 HEADHN Cn1ccnc1[C@H](O)[C@@H]1CCCN(Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000770336965 1078835717 /nfs/dbraw/zinc/83/57/17/1078835717.db2.gz PHMZIIDSZFCWQA-DENIHFKCSA-N 0 3 412.534 2.367 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000770420329 1078846643 /nfs/dbraw/zinc/84/66/43/1078846643.db2.gz ZTKZLAICSATXCD-AOCRQIFASA-N 0 3 411.591 2.148 20 0 HEADHN O=C1N[C@]2(CCCN(Cc3ccccc3)C2)C(=O)N1CN(C[C@@H]1CCOC1)C1CC1 ZINC000746502865 1078847841 /nfs/dbraw/zinc/84/78/41/1078847841.db2.gz LTEPRPMAFBIBPY-CVDCTZTESA-N 0 3 412.534 2.031 20 0 HEADHN C[C@@H]1NC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000746361232 1078874700 /nfs/dbraw/zinc/87/47/00/1078874700.db2.gz XZLIZUAWGNRTEQ-GHTZIAJQSA-N 0 3 419.529 2.448 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000770593283 1078899876 /nfs/dbraw/zinc/89/98/76/1078899876.db2.gz ZHZCAKBUMIHRRL-SQNIBIBYSA-N 0 3 411.591 2.100 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000770607278 1078913721 /nfs/dbraw/zinc/91/37/21/1078913721.db2.gz PLXDQNXMQZURRF-FGTMMUONSA-N 0 3 411.591 2.052 20 0 HEADHN COCCN1CCC(NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000766362808 1078925116 /nfs/dbraw/zinc/92/51/16/1078925116.db2.gz PSKGAFOXDRGUOG-IBGZPJMESA-N 0 3 403.523 2.262 20 0 HEADHN CCC[C@@H]1CN(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)CCN1CCOC ZINC000766379351 1078929521 /nfs/dbraw/zinc/92/95/21/1078929521.db2.gz ZFWZOEUHZLRERD-LJQANCHMSA-N 0 3 420.554 2.058 20 0 HEADHN Cc1nn(CN2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)c(=S)n1CC(=O)N(C)C ZINC000766374811 1078941753 /nfs/dbraw/zinc/94/17/53/1078941753.db2.gz JIIWLFASQIMBLU-DLBZAZTESA-N 0 3 416.595 2.363 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)N(C)Cc1ccccc1 ZINC000766435897 1079003559 /nfs/dbraw/zinc/00/35/59/1079003559.db2.gz BVPXYROLYBTNHN-ZDUSSCGKSA-N 0 3 405.296 2.419 20 0 HEADHN COc1cccc(NC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)c1F ZINC000770752602 1079006859 /nfs/dbraw/zinc/00/68/59/1079006859.db2.gz WQTDKMXSFWBFIW-UHFFFAOYSA-N 0 3 415.465 2.046 20 0 HEADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NC1CCC(O)(c2cccnc2)CC1 ZINC000770778735 1079010709 /nfs/dbraw/zinc/01/07/09/1079010709.db2.gz TYFCKXBDTHJGOZ-UHFFFAOYSA-N 0 3 410.518 2.337 20 0 HEADHN CCOC(=O)C1C(CN2CCN(C)C[C@H]2C(C)C)=NC(=O)N[C@@H]1c1ccccc1 ZINC000746461974 1079014481 /nfs/dbraw/zinc/01/44/81/1079014481.db2.gz ILHAGJUDDJHDDC-AZUAARDMSA-N 0 3 400.523 2.130 20 0 HEADHN CCOC(=O)C1=C(CN2CCN(C)C[C@H]2C(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000746461974 1079014492 /nfs/dbraw/zinc/01/44/92/1079014492.db2.gz ILHAGJUDDJHDDC-AZUAARDMSA-N 0 3 400.523 2.130 20 0 HEADHN CCN(c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1)C(C)C ZINC000770804403 1079025646 /nfs/dbraw/zinc/02/56/46/1079025646.db2.gz VMLAPGIHSBEULP-SFHVURJKSA-N 0 3 403.571 2.002 20 0 HEADHN CNS(=O)(=O)c1ccc([C@@H](C)NC[C@@H](O)COc2ccc3cc[nH]c3c2)cc1 ZINC001168800374 1079040669 /nfs/dbraw/zinc/04/06/69/1079040669.db2.gz CNWPYWXDYDMKMI-RHSMWYFYSA-N 0 3 403.504 2.167 20 0 HEADHN C[C@H]1C[C@H](N2C[C@@H](C(=O)N3CCCO3)C[C@H]3OCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC001168858769 1079055240 /nfs/dbraw/zinc/05/52/40/1079055240.db2.gz QZTHJKMLGPEPMT-NNPSNHGLSA-N 0 3 409.527 2.028 20 0 HEADHN CCN1C[C@H]2CCN([C@@H]3C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC[C@H]2S1(=O)=O ZINC001168852422 1079052246 /nfs/dbraw/zinc/05/22/46/1079052246.db2.gz BYLZUOQKGQCRGO-YLFCFFPRSA-N 0 3 401.573 2.130 20 0 HEADHN C[C@@H]1C[C@@H](n2nc(C(=O)NC3CCC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168868398 1079058569 /nfs/dbraw/zinc/05/85/69/1079058569.db2.gz SOCUYGVPAJQWTK-UKRRQHHQSA-N 0 3 403.527 2.382 20 0 HEADHN COc1cccc(NC(=O)Cc2noc([C@]3(O)CCN(Cc4ccccc4)C3)n2)c1 ZINC000770959080 1079079500 /nfs/dbraw/zinc/07/95/00/1079079500.db2.gz SBFWDIHMBVLZIX-QFIPXVFZSA-N 0 3 408.458 2.353 20 0 HEADHN COc1ccc(C(=O)CCC(=O)N2C[C@]3(C)CN(C)C[C@@]3(C)C2)c(OC)c1OC ZINC001168929715 1079088074 /nfs/dbraw/zinc/08/80/74/1079088074.db2.gz KCERYUPRMDORDG-VXKWHMMOSA-N 0 3 404.507 2.476 20 0 HEADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1nc(NCc2ccco2)ncc1Cl ZINC000771037622 1079112007 /nfs/dbraw/zinc/11/20/07/1079112007.db2.gz DTPIBEBIEUPHEA-AWEZNQCLSA-N 0 3 405.886 2.318 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N[C@H](C)c2ccc(OCC(=O)OC)cc2)C1 ZINC001169072632 1079124960 /nfs/dbraw/zinc/12/49/60/1079124960.db2.gz LSZMILFEUVPIMS-SOLBZPMBSA-N 0 3 420.506 2.079 20 0 HEADHN CN(C)CCN1C[C@H](C(=O)N2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC1=O ZINC000746280246 1079128690 /nfs/dbraw/zinc/12/86/90/1079128690.db2.gz NWDNMURDCLQKCF-YLJYHZDGSA-N 0 3 407.942 2.022 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)Nc2cc(N3CCCC3=O)ccc2F)CC1 ZINC000771123478 1079143433 /nfs/dbraw/zinc/14/34/33/1079143433.db2.gz DMCJENZQCIFYBU-UHFFFAOYSA-N 0 3 405.518 2.490 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000771094343 1079148718 /nfs/dbraw/zinc/14/87/18/1079148718.db2.gz OMWGSHFMWKHVNM-UHFFFAOYSA-N 0 3 418.510 2.221 20 0 HEADHN Cc1cccc(CN2CC[C@@H](NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)C2)c1 ZINC001169148858 1079166059 /nfs/dbraw/zinc/16/60/59/1079166059.db2.gz FUKGNQDEFXWKSH-QRVBRYPASA-N 0 3 403.523 2.368 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)NCc1cc(F)cc(F)c1F ZINC001169163518 1079171953 /nfs/dbraw/zinc/17/19/53/1079171953.db2.gz QIVVUTFGUPJIHM-LBPRGKRZSA-N 0 3 423.439 2.200 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC000771165950 1079181255 /nfs/dbraw/zinc/18/12/55/1079181255.db2.gz OOEPLIIWOACQOP-CEXHIMGSSA-N 0 3 406.474 2.462 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000771136058 1079187804 /nfs/dbraw/zinc/18/78/04/1079187804.db2.gz YSVWRVRXLVSCKE-GUDVDZBRSA-N 0 3 403.571 2.448 20 0 HEADHN CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000804314009 1079221772 /nfs/dbraw/zinc/22/17/72/1079221772.db2.gz DXAWMVMGKOAVMY-UXHICEINSA-N 0 3 414.550 2.027 20 0 HEADHN C[C@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CC(C)(C)O1 ZINC000746505570 1079233587 /nfs/dbraw/zinc/23/35/87/1079233587.db2.gz KTLNCVYEHGIAKL-HTAPYJJXSA-N 0 3 400.523 2.030 20 0 HEADHN CCOC(=O)N1CC[C@@H](NC(=O)NC[C@@H](c2cccc(OC)c2)N2CCCC2)C1 ZINC000771287012 1079240949 /nfs/dbraw/zinc/24/09/49/1079240949.db2.gz KJULLPOVCGGLJC-MJGOQNOKSA-N 0 3 404.511 2.362 20 0 HEADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(CN(C)C)c2)C1=O ZINC000771277922 1079264588 /nfs/dbraw/zinc/26/45/88/1079264588.db2.gz WSGDTMKSDBRYSX-JOCHJYFZSA-N 0 3 410.474 2.163 20 0 HEADHN CCN1CCN(c2cccc(NC(=O)N[C@@H](CO)C[C@H](O)c3ccccc3)c2)CC1 ZINC000771271844 1079259626 /nfs/dbraw/zinc/25/96/26/1079259626.db2.gz JQIKMBGVHQSBEU-IRLDBZIGSA-N 0 3 412.534 2.435 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@@H]3CN(Cc4csc(C)n4)CCO[C@@H]3C2)CO1 ZINC001169392776 1079263027 /nfs/dbraw/zinc/26/30/27/1079263027.db2.gz QRUGOUYMEIXNDV-RSPOEFSDSA-N 0 3 423.579 2.085 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccnc(F)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170024821 1079274181 /nfs/dbraw/zinc/27/41/81/1079274181.db2.gz CZMYYFSVQSNMPM-CABCVRRESA-N 0 3 410.515 2.221 20 0 HEADHN CCC1N=NC(=S)N1CCNC(=O)Nc1cccc(N2CCN(CC)CC2)c1 ZINC000771279539 1079266284 /nfs/dbraw/zinc/26/62/84/1079266284.db2.gz WNSYMVLDSVXFED-UHFFFAOYSA-N 0 3 403.556 2.093 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000771343330 1079299532 /nfs/dbraw/zinc/29/95/32/1079299532.db2.gz GZDCOFDKCICUQI-KRWDZBQOSA-N 0 3 411.591 2.005 20 0 HEADHN CC[C@@H]1CCN(CC(=O)N(CC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)[C@H]1C ZINC001169494286 1079313675 /nfs/dbraw/zinc/31/36/75/1079313675.db2.gz HDXHQEXUCGKYBU-DOTOQJQBSA-N 0 3 413.522 2.053 20 0 HEADHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1F ZINC001169528364 1079324024 /nfs/dbraw/zinc/32/40/24/1079324024.db2.gz VHGBKEVHPWQDEU-QFBILLFUSA-N 0 3 419.522 2.131 20 0 HEADHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)CNS(=O)(=O)c1ccccc1F ZINC001169528362 1079324147 /nfs/dbraw/zinc/32/41/47/1079324147.db2.gz VHGBKEVHPWQDEU-APWZRJJASA-N 0 3 419.522 2.131 20 0 HEADHN CC(=O)N1CCC[C@H](NCC(=O)N2CCC[C@H]2C(=O)Nc2ccc3ccccc3c2)C1 ZINC001169595921 1079338240 /nfs/dbraw/zinc/33/82/40/1079338240.db2.gz AKNHQXMVWMLXFM-VXKWHMMOSA-N 0 3 422.529 2.370 20 0 HEADHN CCOC(=O)N1CCC([C@@H](C)NCc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC001169613677 1079352503 /nfs/dbraw/zinc/35/25/03/1079352503.db2.gz MQOWCBNMJYXLHV-CYBMUJFWSA-N 0 3 403.570 2.345 20 0 HEADHN CCN1C[C@H]2CCN([C@H]3CCCN(C(=O)c4ccccc4)C3)CC[C@H]2S1(=O)=O ZINC001169772265 1079407469 /nfs/dbraw/zinc/40/74/69/1079407469.db2.gz RKNNAGZPSGXBSD-HSALFYBXSA-N 0 3 405.564 2.037 20 0 HEADHN Cc1ccc(C)c(N2N=C(C(=O)NC(C)(C)CCN3CCN(C)CC3)CCC2=O)c1 ZINC000771663325 1079432110 /nfs/dbraw/zinc/43/21/10/1079432110.db2.gz LZYBYGGNYXFKPR-UHFFFAOYSA-N 0 3 413.566 2.319 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC3(CC[C@@H](C(=O)N4CCCC4)OC3)CC2)CC1 ZINC001169884302 1079457670 /nfs/dbraw/zinc/45/76/70/1079457670.db2.gz AGEXBVGNYUSMAD-ACBHZAAOSA-N 0 3 412.596 2.226 20 0 HEADHN CS(=O)(=O)C1CCC(N2CCC3(CC2)CCN(S(=O)(=O)C2CC2)CC3)CC1 ZINC001169896909 1079468468 /nfs/dbraw/zinc/46/84/68/1079468468.db2.gz LZTSUQFNYPWTTP-UHFFFAOYSA-N 0 3 418.625 2.012 20 0 HEADHN C[C@@H]1CCCN(C(C)(C)CNS(=O)(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000771733170 1079469857 /nfs/dbraw/zinc/46/98/57/1079469857.db2.gz VLDVDWYOEDHJHP-QGZVFWFLSA-N 0 3 411.568 2.343 20 0 HEADHN Cc1nc(CN2CCOC[C@]3(CN([C@H]4CCCC5(C4)OCCO5)CCO3)C2)cs1 ZINC001169948955 1079490387 /nfs/dbraw/zinc/49/03/87/1079490387.db2.gz LMHBDDDBVQWMOQ-VQTJNVASSA-N 0 3 423.579 2.040 20 0 HEADHN CCn1c(-c2cccs2)nn(CN2CCN(C(=O)CN3CCCC3)CC2)c1=S ZINC000738161048 1075970759 /nfs/dbraw/zinc/97/07/59/1075970759.db2.gz MEPBEECHWWQJOH-UHFFFAOYSA-N 0 3 420.608 2.360 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(F)ccc1SCC(F)F ZINC000739090009 1076043628 /nfs/dbraw/zinc/04/36/28/1076043628.db2.gz RTPGNKISTFQAEL-OLZOCXBDSA-N 0 3 417.453 2.101 20 0 HEADHN C[C@@H]1COCCN1c1ccc(NC(=O)C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000739090310 1076043699 /nfs/dbraw/zinc/04/36/99/1076043699.db2.gz UAOXECFPZXERGP-OKZBNKHCSA-N 0 3 402.539 2.229 20 0 HEADHN O=C(Nc1cccc(CN2CCOC2=O)c1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000739116842 1076045460 /nfs/dbraw/zinc/04/54/60/1076045460.db2.gz CMXHWFHYCAMQLP-UHFFFAOYSA-N 0 3 414.506 2.054 20 0 HEADHN COC(=O)Nc1cc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)ccc1F ZINC000739121670 1076047444 /nfs/dbraw/zinc/04/74/44/1076047444.db2.gz WUGRVCCWKGTEMP-UHFFFAOYSA-N 0 3 406.458 2.419 20 0 HEADHN Cc1c(C(=O)NC[C@](C)(O)c2cccs2)nnn1-c1cccc2c1CCN(C)C2 ZINC000740158720 1076114546 /nfs/dbraw/zinc/11/45/46/1076114546.db2.gz OQENSKCIJSMYHD-NRFANRHFSA-N 0 3 411.531 2.263 20 0 HEADHN Cc1cc(=O)oc2cc(OCCN3CCCC[C@H]3CCNS(C)(=O)=O)ccc12 ZINC000740875309 1076277961 /nfs/dbraw/zinc/27/79/61/1076277961.db2.gz RVLPXCGOZPOVGD-INIZCTEOSA-N 0 3 408.520 2.274 20 0 HEADHN COC(=O)c1ccc(OC[C@H](O)CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 ZINC000740880862 1076281679 /nfs/dbraw/zinc/28/16/79/1076281679.db2.gz DSBLIWFSVRIPOC-SZVBFZGTSA-N 0 3 422.522 2.448 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3c(F)cccc3F)cc2)CC1 ZINC000740907049 1076287214 /nfs/dbraw/zinc/28/72/14/1076287214.db2.gz HYOJCFRZVPIOIN-HXUWFJFHSA-N 0 3 418.488 2.245 20 0 HEADHN O=C(CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1)NCc1ccc(N2CCCC2=O)cc1 ZINC000766257122 1076294129 /nfs/dbraw/zinc/29/41/29/1076294129.db2.gz NZKMRVDKMOAUPT-GOSISDBHSA-N 0 3 422.533 2.305 20 0 HEADHN Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1CNC[C@@H](CCO)c1ccccc1 ZINC000740899169 1076296241 /nfs/dbraw/zinc/29/62/41/1076296241.db2.gz VEWJYDJGMJERRD-SJORKVTESA-N 0 3 411.955 2.460 20 0 HEADHN COc1ccc(Cl)c(CN2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)c1 ZINC001137263351 1076338244 /nfs/dbraw/zinc/33/82/44/1076338244.db2.gz LZCUEKYPSHMLQT-LMMKCTJWSA-N 0 3 408.926 2.292 20 0 HEADHN CCCCS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000741071093 1076353350 /nfs/dbraw/zinc/35/33/50/1076353350.db2.gz QLUKOFCNGATSQQ-MSOLQXFVSA-N 0 3 410.540 2.213 20 0 HEADHN CN1CCN(Cc2ccc(CNC(=O)N[C@H](CCO)c3cccs3)cc2)CC1 ZINC000741076660 1076354886 /nfs/dbraw/zinc/35/48/86/1076354886.db2.gz JMNZIFYUGKNXPX-LJQANCHMSA-N 0 3 402.564 2.418 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(S(=O)(=O)Cc2ccccc2)cc1 ZINC000741209312 1076404236 /nfs/dbraw/zinc/40/42/36/1076404236.db2.gz JIOFPOWBPUDGOC-UXHICEINSA-N 0 3 414.527 2.254 20 0 HEADHN O=C(COC(=O)C1CCN(Cc2ccccc2)CC1)Nc1nnc([C@H]2CCCO2)o1 ZINC000741331639 1076479501 /nfs/dbraw/zinc/47/95/01/1076479501.db2.gz VBTVJBOJWMVNNK-QGZVFWFLSA-N 0 3 414.462 2.315 20 0 HEADHN Cc1cccc(C2(O)CCN(C[C@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)c1C ZINC000741811799 1076635253 /nfs/dbraw/zinc/63/52/53/1076635253.db2.gz RYQAJJLHGGQVKL-FQEVSTJZSA-N 0 3 423.513 2.465 20 0 HEADHN Cc1cccc(C2(O)CCN(C[C@@H](O)Cn3c(=O)onc3-c3ccccc3)CC2)c1C ZINC000741811800 1076635284 /nfs/dbraw/zinc/63/52/84/1076635284.db2.gz RYQAJJLHGGQVKL-HXUWFJFHSA-N 0 3 423.513 2.465 20 0 HEADHN CN1CCC(NC(=S)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000741867660 1076659792 /nfs/dbraw/zinc/65/97/92/1076659792.db2.gz BBCNXYZGDGEFAS-INIZCTEOSA-N 0 3 412.506 2.342 20 0 HEADHN COc1ccc(Cc2nn(CN3CCN(CC(C)(C)O)CC3)c(=S)o2)cc1OC ZINC000742150180 1076766933 /nfs/dbraw/zinc/76/69/33/1076766933.db2.gz BOLBYQNHQZDEMP-UHFFFAOYSA-N 0 3 422.551 2.160 20 0 HEADHN CN1CCC[C@H](CNS(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293431 1076819819 /nfs/dbraw/zinc/81/98/19/1076819819.db2.gz HCTJTALIQSYVJF-UXHICEINSA-N 0 3 423.579 2.296 20 0 HEADHN CN1CCC[C@H](CNS(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 ZINC000742293433 1076819870 /nfs/dbraw/zinc/81/98/70/1076819870.db2.gz HCTJTALIQSYVJF-WOJBJXKFSA-N 0 3 423.579 2.296 20 0 HEADHN NC(=O)C1CCN(Cc2cccc(NC(=O)CNC(=O)OCc3ccccc3)c2)CC1 ZINC000742336749 1076826007 /nfs/dbraw/zinc/82/60/07/1076826007.db2.gz HROUGPWFQCLAPG-UHFFFAOYSA-N 0 3 424.501 2.249 20 0 HEADHN O=C(Nc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1)OCC(F)(F)F ZINC000742599481 1076855031 /nfs/dbraw/zinc/85/50/31/1076855031.db2.gz WAOGMCKXVFYTJY-LSDHHAIUSA-N 0 3 401.385 2.390 20 0 HEADHN CN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1cccc2c1COC2=O ZINC000743049658 1076938200 /nfs/dbraw/zinc/93/82/00/1076938200.db2.gz RYLQSQMLFQDUAP-QGZVFWFLSA-N 0 3 400.500 2.500 20 0 HEADHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1 ZINC000743622590 1077076644 /nfs/dbraw/zinc/07/66/44/1077076644.db2.gz IXRKIZPUQVRMGF-NRFANRHFSA-N 0 3 403.571 2.131 20 0 HEADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000743765773 1077120420 /nfs/dbraw/zinc/12/04/20/1077120420.db2.gz NDVXRUKIYHFSPQ-HXUWFJFHSA-N 0 3 424.469 2.050 20 0 HEADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)N1CCCCC1 ZINC000743895745 1077207394 /nfs/dbraw/zinc/20/73/94/1077207394.db2.gz UAQSXYMQCGMJNB-INIZCTEOSA-N 0 3 409.490 2.263 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2)CC1 ZINC000743939141 1077232366 /nfs/dbraw/zinc/23/23/66/1077232366.db2.gz JCOHVYYYMCWTNA-VAMGGRTRSA-N 0 3 414.550 2.087 20 0 HEADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(N3CCOC3=O)c2)C1 ZINC000743972323 1077275796 /nfs/dbraw/zinc/27/57/96/1077275796.db2.gz MNYZNSSHDKDZSS-HXUWFJFHSA-N 0 3 422.485 2.315 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@@H](C)CCc3cccn3C)cc2)CC1 ZINC000743951040 1077280221 /nfs/dbraw/zinc/28/02/21/1077280221.db2.gz XQGAAHUKBLVFIX-SFHVURJKSA-N 0 3 411.550 2.243 20 0 HEADHN Cc1cc(I)ccc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743978853 1077292496 /nfs/dbraw/zinc/29/24/96/1077292496.db2.gz QFERTTGPHZIQFE-GFCCVEGCSA-N 0 3 415.275 2.139 20 0 HEADHN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)C(=O)NCCN1CCC[C@H]1C ZINC000743980721 1077293378 /nfs/dbraw/zinc/29/33/78/1077293378.db2.gz HIVHTGCTGFCMGB-GOSISDBHSA-N 0 3 414.550 2.406 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000743980840 1077293905 /nfs/dbraw/zinc/29/39/05/1077293905.db2.gz MYYLPFBRNGVVGL-HNNXBMFYSA-N 0 3 420.469 2.026 20 0 HEADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Br)ccc1-n1cccn1 ZINC000743981088 1077294005 /nfs/dbraw/zinc/29/40/05/1077294005.db2.gz IWTKEMWAGSOLQQ-ZDUSSCGKSA-N 0 3 420.311 2.174 20 0 HEADHN CN(C)CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F ZINC000744244585 1077348753 /nfs/dbraw/zinc/34/87/53/1077348753.db2.gz FFBCVVNDLKPHJZ-UHFFFAOYSA-N 0 3 407.511 2.280 20 0 HEADHN CC(=O)Nc1cccc(NC(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 ZINC000744399239 1077376899 /nfs/dbraw/zinc/37/68/99/1077376899.db2.gz HCLTWVOPIRSTJL-QHCPKHFHSA-N 0 3 410.518 2.200 20 0 HEADHN NC(=O)c1ccc(NC(=O)CCN2CCC[C@H](N3CCCCC3=O)C2)cc1Cl ZINC000744399461 1077380200 /nfs/dbraw/zinc/38/02/00/1077380200.db2.gz NNYAQYPZMMFYER-HNNXBMFYSA-N 0 3 406.914 2.244 20 0 HEADHN CN(C)[C@@H](CNC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000744812240 1077584948 /nfs/dbraw/zinc/58/49/48/1077584948.db2.gz ICPGOMFPTOUWOT-IBGZPJMESA-N 0 3 419.570 2.141 20 0 HEADHN CN(C)[C@@H](CNC(=O)CN(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccc1 ZINC000771761369 1079514765 /nfs/dbraw/zinc/51/47/65/1079514765.db2.gz LBJVMVXRSLIEQH-MOPGFXCFSA-N 0 3 404.555 2.347 20 0 HEADHN CC(C)n1cncc1CN[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170033143 1079532090 /nfs/dbraw/zinc/53/20/90/1079532090.db2.gz WBQQKBYMNYQLHD-WBVHZDCISA-N 0 3 423.583 2.465 20 0 HEADHN Cc1cc(NC(=S)NCC(=O)NC(C)C)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000771846382 1079535224 /nfs/dbraw/zinc/53/52/24/1079535224.db2.gz CVLDFQBXLYVEJK-SFHVURJKSA-N 0 3 414.579 2.450 20 0 HEADHN CCOC(=O)C1=C(CN2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)NC(=O)N[C@H]1C ZINC000766964945 1079560455 /nfs/dbraw/zinc/56/04/55/1079560455.db2.gz BBYFGORKNNCQMJ-BBWFWOEESA-N 0 3 400.523 2.100 20 0 HEADHN O=C1C[C@H](NCc2ccc(SC(F)(F)F)cc2)CN1CCN1CCOCC1 ZINC000771957047 1079603459 /nfs/dbraw/zinc/60/34/59/1079603459.db2.gz GEPXPWXQRJYLNW-HNNXBMFYSA-N 0 3 403.470 2.321 20 0 HEADHN CN(CCc1ccccn1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170036581 1079685682 /nfs/dbraw/zinc/68/56/82/1079685682.db2.gz AHLJPVYUKDAVOM-ROUUACIJSA-N 0 3 420.579 2.467 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCC3(COC3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170038964 1079718452 /nfs/dbraw/zinc/71/84/52/1079718452.db2.gz PDRJULBZWAMGAT-HOTGVXAUSA-N 0 3 411.568 2.010 20 0 HEADHN O=C(C[C@@H]1C=CS(=O)(=O)C1)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000772220099 1079745928 /nfs/dbraw/zinc/74/59/28/1079745928.db2.gz HATDYNIWTBPIBJ-ROUUACIJSA-N 0 3 400.504 2.217 20 0 HEADHN O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1C[C@H](O)c1c(F)cccc1F ZINC000767362289 1079829273 /nfs/dbraw/zinc/82/92/73/1079829273.db2.gz QZXUFJXQKPSLGY-UWJYYQICSA-N 0 3 401.413 2.195 20 0 HEADHN COC[C@H]1CCCCN1[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170043653 1079890089 /nfs/dbraw/zinc/89/00/89/1079890089.db2.gz OCZCQCJTORELGT-ZACQAIPSSA-N 0 3 413.584 2.398 20 0 HEADHN COCCN1CCC[C@@H]1CNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000772602812 1080003928 /nfs/dbraw/zinc/00/39/28/1080003928.db2.gz SMHSMFWNZILVGG-QZTJIDSGSA-N 0 3 410.559 2.281 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCN3CCCC[C@@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047452 1080046144 /nfs/dbraw/zinc/04/61/44/1080046144.db2.gz DRBOFZKXDMKQAY-SQNIBIBYSA-N 0 3 424.611 2.067 20 0 HEADHN CC(=O)c1ccc(N2CCN(C(=O)CN3CC[C@H](C)C[C@H]3[C@H](C)O)CC2)c(F)c1 ZINC000785545046 1080051400 /nfs/dbraw/zinc/05/14/00/1080051400.db2.gz AQIXTMJSDZAULA-WJPUGNRLSA-N 0 3 405.514 2.158 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@@H](C(=O)OCC(=O)c2ccc(C)cc2OC)CC1=O ZINC000785646763 1080095508 /nfs/dbraw/zinc/09/55/08/1080095508.db2.gz IPFKZRFRFGKKJN-IRXDYDNUSA-N 0 3 402.491 2.062 20 0 HEADHN CCN1CCC[C@H]1CN1C[C@H](C(=O)OCC(=O)C2CCC(F)(F)CC2)CC1=O ZINC000785652131 1080106927 /nfs/dbraw/zinc/10/69/27/1080106927.db2.gz XGRYTTYSGFUASU-CVEARBPZSA-N 0 3 400.466 2.257 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@@H](C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)CC1=O ZINC000785657379 1080176732 /nfs/dbraw/zinc/17/67/32/1080176732.db2.gz VYJXCYHRKBXKLA-PKOBYXMFSA-N 0 3 415.534 2.499 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](Cc2ccccc2F)C(C)=O)CC1=O ZINC000785656987 1080177999 /nfs/dbraw/zinc/17/79/99/1080177999.db2.gz WUSPCOBOIKCPEH-GGPKGHCWSA-N 0 3 404.482 2.202 20 0 HEADHN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2cccc(CN3CCCC3)c2)CC1 ZINC000785719990 1080192901 /nfs/dbraw/zinc/19/29/01/1080192901.db2.gz IFFWEHOXQBTIHR-KRWDZBQOSA-N 0 3 417.506 2.128 20 0 HEADHN C[C@H](OC(=O)c1ccc(CN2CCC(CO)CC2)cc1)C(=O)NC(=O)NC(C)(C)C ZINC000785710143 1080217969 /nfs/dbraw/zinc/21/79/69/1080217969.db2.gz DBQZIPPSVJGMIE-HNNXBMFYSA-N 0 3 419.522 2.061 20 0 HEADHN CC(=O)N1CCN(C(=O)[C@@H](OC(=O)c2cccc(CN3CCCC3)c2)C(C)C)CC1 ZINC000785712769 1080222170 /nfs/dbraw/zinc/22/21/70/1080222170.db2.gz FRRNEZJAOJOAPS-NRFANRHFSA-N 0 3 415.534 2.155 20 0 HEADHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(c2cccc(OC)c2)C1=O ZINC000767905745 1080222884 /nfs/dbraw/zinc/22/28/84/1080222884.db2.gz IGHCXGBQAGFXAU-LZFQIVBZSA-N 0 3 416.522 2.394 20 0 HEADHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000767907680 1080223326 /nfs/dbraw/zinc/22/33/26/1080223326.db2.gz RHIPRKZRHXIRHK-LZFQIVBZSA-N 0 3 416.522 2.394 20 0 HEADHN O=C(COC(=O)C1COC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000785775222 1080240968 /nfs/dbraw/zinc/24/09/68/1080240968.db2.gz NMCWUVZSIYJNEO-UHFFFAOYSA-N 0 3 409.486 2.137 20 0 HEADHN CC[C@@]1(C)CC(=O)N(CN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000767972840 1080243681 /nfs/dbraw/zinc/24/36/81/1080243681.db2.gz SEQBWXXPEBLDKC-XXBNENTESA-N 0 3 413.566 2.048 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1 ZINC000767962520 1080254070 /nfs/dbraw/zinc/25/40/70/1080254070.db2.gz IRUGHELHCFJUTG-GOSISDBHSA-N 0 3 406.527 2.289 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cn4ccnc4s3)cc2)CC1 ZINC000785813378 1080254378 /nfs/dbraw/zinc/25/43/78/1080254378.db2.gz JYTCPCOGDSHPGR-UHFFFAOYSA-N 0 3 413.503 2.333 20 0 HEADHN CCCCCCN(C)CC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000767996444 1080265024 /nfs/dbraw/zinc/26/50/24/1080265024.db2.gz TWSZSIVHXPWMAN-UHFFFAOYSA-N 0 3 410.584 2.219 20 0 HEADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)[C@]1(O)CCc2ccccc2C1 ZINC000785841739 1080267529 /nfs/dbraw/zinc/26/75/29/1080267529.db2.gz OFGKCMSVBZAHHA-VWLOTQADSA-N 0 3 407.558 2.231 20 0 HEADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCCC2(C1)OCCO2 ZINC000768039259 1080279832 /nfs/dbraw/zinc/27/98/32/1080279832.db2.gz JKKMMBPOBKVLTO-UHFFFAOYSA-N 0 3 402.539 2.137 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000768071213 1080314972 /nfs/dbraw/zinc/31/49/72/1080314972.db2.gz OZSPMHLIVOPUSW-GJZGRUSLSA-N 0 3 402.322 2.361 20 0 HEADHN Cc1ccccc1[C@H]([C@H](C)NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)N(C)C ZINC000786026210 1080340882 /nfs/dbraw/zinc/34/08/82/1080340882.db2.gz SQOVMXPNKCWVKZ-JXFKEZNVSA-N 0 3 406.490 2.322 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C)N(C)Cc1ccccc1 ZINC000768149787 1080355894 /nfs/dbraw/zinc/35/58/94/1080355894.db2.gz JEKNYDIBBSJLJZ-OAHLLOKOSA-N 0 3 414.481 2.103 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@H](N2CCC3(CCO3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170054105 1080356507 /nfs/dbraw/zinc/35/65/07/1080356507.db2.gz ZURADZJFQACULY-CVEARBPZSA-N 0 3 411.568 2.152 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCC3(CCO3)CC2)C[C@H]1C(=O)N1CCSC1 ZINC001170054107 1080356538 /nfs/dbraw/zinc/35/65/38/1080356538.db2.gz ZURADZJFQACULY-HOTGVXAUSA-N 0 3 411.568 2.152 20 0 HEADHN CCN1CCN(C[C@@H](C)CNC(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 ZINC000768129227 1080363677 /nfs/dbraw/zinc/36/36/77/1080363677.db2.gz XTRJJMIKJQMKQJ-KRWDZBQOSA-N 0 3 419.570 2.110 20 0 HEADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)CC1 ZINC001169989307 1080397230 /nfs/dbraw/zinc/39/72/30/1080397230.db2.gz GAHKFHWAZGJIPG-GOSISDBHSA-N 0 3 415.534 2.152 20 0 HEADHN Cc1ccc(N2CCNC2=O)cc1NC(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000786247172 1080486982 /nfs/dbraw/zinc/48/69/82/1080486982.db2.gz BNTKMDQTZJWRIU-YLJYHZDGSA-N 0 3 414.554 2.014 20 0 HEADHN COC(=O)CCc1cccc(NC(=O)C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000786266174 1080549805 /nfs/dbraw/zinc/54/98/05/1080549805.db2.gz BKSUVIOYDRXSTA-UHFFFAOYSA-N 0 3 423.513 2.295 20 0 HEADHN CCOC(=O)C1(C(=O)OCC(=O)N2CCCN(Cc3ccccc3C)CC2)CCC1 ZINC000768569254 1080636176 /nfs/dbraw/zinc/63/61/76/1080636176.db2.gz HFBSLFDAHXBOKG-UHFFFAOYSA-N 0 3 416.518 2.306 20 0 HEADHN C[C@H](NC(=O)c1[nH]nc2ccccc21)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000746589880 1080659678 /nfs/dbraw/zinc/65/96/78/1080659678.db2.gz UETXCQPTCGTROT-KRWDZBQOSA-N 0 3 407.518 2.314 20 0 HEADHN CC(C)[C@@H](CNC(=O)C(=O)NCC[S@](=O)Cc1ccccc1)N1CCCCCC1 ZINC000786629155 1080723965 /nfs/dbraw/zinc/72/39/65/1080723965.db2.gz RILMBLCUFDEWHU-OLILMLBXSA-N 0 3 421.607 2.068 20 0 HEADHN C[C@@H]1CN(CC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C[C@@H]1O ZINC000768765400 1080753186 /nfs/dbraw/zinc/75/31/86/1080753186.db2.gz DMRFHEQMRNRXJY-XXBNENTESA-N 0 3 408.546 2.260 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)n1 ZINC000786731243 1080780677 /nfs/dbraw/zinc/78/06/77/1080780677.db2.gz GKJPQUPMTIONDY-SFHVURJKSA-N 0 3 421.567 2.359 20 0 HEADHN CCS(=O)(=O)CCn1cc(C)c(NC(=O)N2CCN(C3CCCCC3)CC2)n1 ZINC000786720245 1080798382 /nfs/dbraw/zinc/79/83/82/1080798382.db2.gz RSTSBVPPYIDZEO-UHFFFAOYSA-N 0 3 411.572 2.108 20 0 HEADHN CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCN2CCc3ccccc3C2)c1 ZINC000786828544 1080827394 /nfs/dbraw/zinc/82/73/94/1080827394.db2.gz OOOOZJWRKGQEIN-MRXNPFEDSA-N 0 3 409.486 2.365 20 0 HEADHN Cn1c2nnc(COC(=O)CCN3CCc4ccccc4C3)n2c2ccccc2c1=O ZINC000786814375 1080840111 /nfs/dbraw/zinc/84/01/11/1080840111.db2.gz NFLJFDPAQNRZJG-UHFFFAOYSA-N 0 3 417.469 2.073 20 0 HEADHN C[C@H](OC(=O)CCN1CCc2ccccc2C1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000786817128 1080841964 /nfs/dbraw/zinc/84/19/64/1080841964.db2.gz ZYUBOMQUGCMPMG-INIZCTEOSA-N 0 3 407.470 2.352 20 0 HEADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCc2cccc(OC(C)C)c2)CC1 ZINC000786845021 1080847787 /nfs/dbraw/zinc/84/77/87/1080847787.db2.gz PJWPNGCISLOHDW-UHFFFAOYSA-N 0 3 405.539 2.096 20 0 HEADHN CN1CCN(CCCNC(=O)[C@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769077117 1080929548 /nfs/dbraw/zinc/92/95/48/1080929548.db2.gz OPKAJQKUJREHHM-HXUWFJFHSA-N 0 3 416.566 2.275 20 0 HEADHN CC(C)OCCN1CCC(NC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000769136515 1080953640 /nfs/dbraw/zinc/95/36/40/1080953640.db2.gz ZNDOKTVKCXVTPT-UHFFFAOYSA-N 0 3 400.564 2.478 20 0 HEADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(NC(=O)C2CCC2)c1)N1CCCCC1 ZINC000787084777 1080987865 /nfs/dbraw/zinc/98/78/65/1080987865.db2.gz RIRHRJNOJPRAOR-INIZCTEOSA-N 0 3 400.523 2.032 20 0 HEADHN CC1(C)CC(N2CCO[C@]3(C2)COCCN(Cc2cccnc2)C3)CC(C)(C)N1O ZINC001170002827 1081002082 /nfs/dbraw/zinc/00/20/82/1081002082.db2.gz VRHNNMLNHBFVHP-HSZRJFAPSA-N 0 3 418.582 2.396 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)CN3CC[S@](=O)C(CC)(CC)C3)cc2)CC1 ZINC000769219551 1081005846 /nfs/dbraw/zinc/00/58/46/1081005846.db2.gz DOYRNURORUYSJX-LJAQVGFWSA-N 0 3 420.623 2.390 20 0 HEADHN CCN(CCO)CCNC(=O)Nc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000769240782 1081013001 /nfs/dbraw/zinc/01/30/01/1081013001.db2.gz MPTCHQSOFJHFMS-UHFFFAOYSA-N 0 3 406.527 2.416 20 0 HEADHN CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(-n2cncn2)cc1 ZINC000769334814 1081045923 /nfs/dbraw/zinc/04/59/23/1081045923.db2.gz RKINPQAHSLFFQP-UHFFFAOYSA-N 0 3 400.527 2.252 20 0 HEADHN CN(CC1CCN(Cc2cnc(N3CCN(C)CC3)nc2)CC1)C(=O)OC(C)(C)C ZINC000769335941 1081046318 /nfs/dbraw/zinc/04/63/18/1081046318.db2.gz WSGAOIKIEFGYQX-UHFFFAOYSA-N 0 3 418.586 2.307 20 0 HEADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(CCOCC(F)F)C2)CC1 ZINC000787186884 1081054849 /nfs/dbraw/zinc/05/48/49/1081054849.db2.gz STJHUSGRTKYUDP-HNNXBMFYSA-N 0 3 405.486 2.059 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000787189287 1081055634 /nfs/dbraw/zinc/05/56/34/1081055634.db2.gz ONQZGUKLZUZWGG-KBAYOESNSA-N 0 3 423.355 2.190 20 0 HEADHN C[C@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)N1CCC[C@@H](C)C1 ZINC000769375827 1081056882 /nfs/dbraw/zinc/05/68/82/1081056882.db2.gz UHNBEUXEHKNHMQ-HZPDHXFCSA-N 0 3 411.493 2.482 20 0 HEADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000769336462 1081061303 /nfs/dbraw/zinc/06/13/03/1081061303.db2.gz AQTCTKGLHMZGKP-DZGCQCFKSA-N 0 3 407.383 2.312 20 0 HEADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000769423999 1081068891 /nfs/dbraw/zinc/06/88/91/1081068891.db2.gz IKLMZYIHKQNKEI-PKOBYXMFSA-N 0 3 418.586 2.354 20 0 HEADHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1 ZINC000769450474 1081084158 /nfs/dbraw/zinc/08/41/58/1081084158.db2.gz DHTMRFOYJOFUDW-DOMZBBRYSA-N 0 3 405.442 2.292 20 0 HEADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 ZINC000787290937 1081094663 /nfs/dbraw/zinc/09/46/63/1081094663.db2.gz BZXZJGCALQHMDJ-OAHLLOKOSA-N 0 3 401.841 2.409 20 0 HEADHN O=C(CCC(=O)Nc1nnc(C2CCCCC2)s1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000787270644 1081102528 /nfs/dbraw/zinc/10/25/28/1081102528.db2.gz JXCDTBCZZNQLRQ-CVEARBPZSA-N 0 3 421.567 2.284 20 0 HEADHN CCN1CCN(CCNC(=O)c2ccc3c(c2)CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000769581689 1081135555 /nfs/dbraw/zinc/13/55/55/1081135555.db2.gz YITMFWZGDMPONL-UHFFFAOYSA-N 0 3 402.539 2.305 20 0 HEADHN CCCCCCn1cc(S(=O)(=O)N(C)C2CCN(C(C)C)CC2)c(=O)[nH]c1=O ZINC000769627769 1081146318 /nfs/dbraw/zinc/14/63/18/1081146318.db2.gz WRRVIIFZPJRDKL-UHFFFAOYSA-N 0 3 414.572 2.023 20 0 HEADHN COCCOc1cc2ncnc(N3C[C@H](C)N(C)C[C@H]3C)c2cc1OCCOC ZINC001164634915 719167920 /nfs/dbraw/zinc/16/79/20/719167920.db2.gz JZWYEISKRSAZFG-JKSUJKDBSA-N 0 3 404.511 2.209 20 0 HEADHN COC[C@H]1CN(CC2CC2)C[C@@]12CCN(c1nc(Cl)ccc1S(C)(=O)=O)C2 ZINC001164815994 720157433 /nfs/dbraw/zinc/15/74/33/720157433.db2.gz JPSOTIMZDSMGSD-DNVCBOLYSA-N 0 3 413.971 2.323 20 0 HEADHN COC(=O)C1CCN(c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)CC1 ZINC001164722102 720404711 /nfs/dbraw/zinc/40/47/11/720404711.db2.gz BWWPDEHTHITKEY-WOJBJXKFSA-N 0 3 422.533 2.114 20 0 HEADHN CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164734758 720422579 /nfs/dbraw/zinc/42/25/79/720422579.db2.gz UEHJROMYPDVECX-QZTJIDSGSA-N 0 3 406.490 2.393 20 0 HEADHN CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3S(C)(=O)=O)CC[C@@H]21 ZINC001164834430 720525020 /nfs/dbraw/zinc/52/50/20/720525020.db2.gz GIUCVTWBMIGNCF-SQNIBIBYSA-N 0 3 403.552 2.059 20 0 HEADHN CCS(=O)(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)C)C2)c1 ZINC001164838329 720651241 /nfs/dbraw/zinc/65/12/41/720651241.db2.gz HIGFAYBBFRCZMI-CMKODMSKSA-N 0 3 417.579 2.450 20 0 HEADHN O=C(Nc1ccccc1)c1ccnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164743715 720704709 /nfs/dbraw/zinc/70/47/09/720704709.db2.gz XUVQMMITYTYOIF-WOJBJXKFSA-N 0 3 416.485 2.466 20 0 HEADHN COc1ccc2nc(Cl)cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2n1 ZINC001164742548 720707728 /nfs/dbraw/zinc/70/77/28/720707728.db2.gz VNMLAPCNVWZZLM-UONOGXRCSA-N 0 3 412.881 2.424 20 0 HEADHN COc1cc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2cc1OC ZINC001164743685 720722050 /nfs/dbraw/zinc/72/20/50/720722050.db2.gz XTKSHZZTJFHQKO-IRXDYDNUSA-N 0 3 407.474 2.384 20 0 HEADHN CCOC(=O)c1nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccc1Cl ZINC001164745359 720740523 /nfs/dbraw/zinc/74/05/23/720740523.db2.gz VHTVUVWROXGSKD-KGLIPLIRSA-N 0 3 403.870 2.044 20 0 HEADHN COc1ccc(-c2cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)ncn2)cc1 ZINC001164745241 720773064 /nfs/dbraw/zinc/77/30/64/720773064.db2.gz UCAOWFJZIZKECK-IEBWSBKVSA-N 0 3 404.474 2.284 20 0 HEADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c21 ZINC001164747858 720804969 /nfs/dbraw/zinc/80/49/69/720804969.db2.gz PPXXEUFGFFHYQH-CABCVRRESA-N 0 3 405.437 2.382 20 0 HEADHN NC(=S)c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c2sccc21 ZINC001164744907 720805624 /nfs/dbraw/zinc/80/56/24/720805624.db2.gz JPOHGVROKGYPIQ-QWHCGFSZSA-N 0 3 412.544 2.062 20 0 HEADHN O=C(NCCc1ccccc1)[C@]12COC[C@@H]1CN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164851482 720817006 /nfs/dbraw/zinc/81/70/06/720817006.db2.gz LMKTTXXHUADGAK-WIOPSUGQSA-N 0 3 420.557 2.489 20 0 HEADHN COC(=O)c1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncc1Cl ZINC001164866581 721053361 /nfs/dbraw/zinc/05/33/61/721053361.db2.gz FRXQLHQWXIOFIF-JKSUJKDBSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1Cl ZINC001164867621 721084805 /nfs/dbraw/zinc/08/48/05/721084805.db2.gz YUGNZRKHVQFPJU-JKSUJKDBSA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164763690 721088514 /nfs/dbraw/zinc/08/85/14/721088514.db2.gz GRCXNJFVFQDVDC-ROUUACIJSA-N 0 3 406.490 2.108 20 0 HEADHN CCOC(=O)c1cnc(C2CC2)nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865366 721089222 /nfs/dbraw/zinc/08/92/22/721089222.db2.gz KKYMUAGOHYMWCQ-MOPGFXCFSA-N 0 3 423.517 2.405 20 0 HEADHN COc1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164772637 721091328 /nfs/dbraw/zinc/09/13/28/721091328.db2.gz VJHNURRRXLHWPN-DLBZAZTESA-N 0 3 408.506 2.339 20 0 HEADHN O=c1ccccn1Cc1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164879845 721155415 /nfs/dbraw/zinc/15/54/15/721155415.db2.gz UMPBOURQDSMUDW-FCHUYYIVSA-N 0 3 417.513 2.166 20 0 HEADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1 ZINC001164880748 721165884 /nfs/dbraw/zinc/16/58/84/721165884.db2.gz XLZRJRWFHAJSID-VQTJNVASSA-N 0 3 422.533 2.024 20 0 HEADHN CNC(=O)[C@@]12CN(C(C)(C)c3ccnc(Cl)c3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164869623 721208604 /nfs/dbraw/zinc/20/86/04/721208604.db2.gz QZUVJFBHTGZVMR-KKSFZXQISA-N 0 3 414.941 2.477 20 0 HEADHN O=C(N[C@@H]1CCO[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1)c1cnccn1 ZINC001164870163 721214871 /nfs/dbraw/zinc/21/48/71/721214871.db2.gz FZHSGYPEMVVADQ-XXBNENTESA-N 0 3 422.533 2.025 20 0 HEADHN O=C(N[C@H]1CCO[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1cnccn1 ZINC001164871723 721215856 /nfs/dbraw/zinc/21/58/56/721215856.db2.gz KZTFDQGHGNZXSG-CVDCTZTESA-N 0 3 422.533 2.025 20 0 HEADHN O=C(N[C@@H]1CCO[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)C1)c1cnccn1 ZINC001164871728 721216440 /nfs/dbraw/zinc/21/64/40/721216440.db2.gz KZTFDQGHGNZXSG-XXBNENTESA-N 0 3 422.533 2.025 20 0 HEADHN CN1CCN(c2cccc(N3Cc4cncn4C[C@H](COc4cccnc4)C3)n2)CC1 ZINC001164768987 721274394 /nfs/dbraw/zinc/27/43/94/721274394.db2.gz MUDFMGHHWYBJIY-LJQANCHMSA-N 0 3 419.533 2.140 20 0 HEADHN CN(Cc1ccc(N2C[C@@H]3OCC[C@@H]3[C@H](C(=O)NCc3cccnc3)C2)nc1)C1CC1 ZINC001164881634 721304831 /nfs/dbraw/zinc/30/48/31/721304831.db2.gz WZCSMLHQEYUMSD-VSKRKVRLSA-N 0 3 421.545 2.229 20 0 HEADHN O=C(NCc1cccnc1)[C@@H]1CN(c2ncccc2CN2CCCC2)C[C@@H]2OCC[C@H]21 ZINC001164878545 721305643 /nfs/dbraw/zinc/30/56/43/721305643.db2.gz LHJWSOFALQXXFT-BDTNDASRSA-N 0 3 421.545 2.230 20 0 HEADHN CCOC(=O)c1ncnc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C ZINC001164910671 721538738 /nfs/dbraw/zinc/53/87/38/721538738.db2.gz UPFOEOFNQMOJOU-FUHWJXTLSA-N 0 3 400.454 2.443 20 0 HEADHN CN(C)Cc1ccnc(N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)c1 ZINC001164921218 721846148 /nfs/dbraw/zinc/84/61/48/721846148.db2.gz NLDNKXGURKXULH-NRFANRHFSA-N 0 3 400.502 2.196 20 0 HEADHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 ZINC000769830563 1078592559 /nfs/dbraw/zinc/59/25/59/1078592559.db2.gz RLSQDHAHPABFFI-HKUYNNGSSA-N 0 3 414.531 2.088 20 0 HEADHN COCCN1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000745780011 1078639788 /nfs/dbraw/zinc/63/97/88/1078639788.db2.gz GWQHIFFPTUOUGQ-SJLPKXTDSA-N 0 3 412.575 2.480 20 0 HEADHN C[C@@H]1CN(CCCCNC(=O)c2nccn3c(Br)cnc23)C[C@H](C)O1 ZINC000769959617 1078652416 /nfs/dbraw/zinc/65/24/16/1078652416.db2.gz NIGLAZZJJOYIIY-BETUJISGSA-N 0 3 410.316 2.111 20 0 HEADHN CN(C)C(=O)C[C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c2ccc(Cl)cc21 ZINC000745803236 1078653465 /nfs/dbraw/zinc/65/34/65/1078653465.db2.gz QNUZUAAAJQPNRQ-OIISXLGYSA-N 0 3 420.941 2.295 20 0 HEADHN CN(C)C(=O)C[C@@H]1CN(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c2ccc(Cl)cc21 ZINC000745803237 1078654073 /nfs/dbraw/zinc/65/40/73/1078654073.db2.gz QNUZUAAAJQPNRQ-PVAVHDDUSA-N 0 3 420.941 2.295 20 0 HEADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)ccc2NC1=O ZINC000745933578 1078701090 /nfs/dbraw/zinc/70/10/90/1078701090.db2.gz VOHJSBPCNKBDRQ-SCNOPHJPSA-N 0 3 402.495 2.020 20 0 HEADHN C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)N4C)cc2F)C[C@H](C)O1 ZINC000746041164 1078748876 /nfs/dbraw/zinc/74/88/76/1078748876.db2.gz PVEUSMICDJHKAC-ONIAQPFYSA-N 0 3 418.513 2.073 20 0 HEADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCN3C(=O)OC(C)(C)C)C1 ZINC000746045796 1078754393 /nfs/dbraw/zinc/75/43/93/1078754393.db2.gz KBKGZKUKEBUZGX-HNNXBMFYSA-N 0 3 416.522 2.381 20 0 HEADHN Cc1cc(C)c(N2C[C@H](C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2=O)c(C)c1 ZINC000770172182 1078768538 /nfs/dbraw/zinc/76/85/38/1078768538.db2.gz GRASXZOMXJNLPD-WOJBJXKFSA-N 0 3 400.567 2.107 20 0 HEADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC000770171804 1078766617 /nfs/dbraw/zinc/76/66/17/1078766617.db2.gz DVZXHTALXRHYFT-QGZVFWFLSA-N 0 3 404.555 2.467 20 0 HEADHN C[C@@H]1CCCCN1CCCNC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 ZINC000746099558 1078793704 /nfs/dbraw/zinc/79/37/04/1078793704.db2.gz XGUZZPFEHNUCOF-CQSZACIVSA-N 0 3 424.498 2.177 20 0 HEADHN CC(C)(COc1ncccc1Br)NCC(=O)Nc1ccccc1C(N)=O ZINC000770262788 1078795894 /nfs/dbraw/zinc/79/58/94/1078795894.db2.gz DTQZEGLFIMEFHB-UHFFFAOYSA-N 0 3 421.295 2.329 20 0 HEADHN CCN1CCN(CC(=O)Nc2ccc(NC(=O)CN3CCCCCCC3)cc2)CC1 ZINC000746208522 1078818867 /nfs/dbraw/zinc/81/88/67/1078818867.db2.gz LPNXECMYYPCESV-UHFFFAOYSA-N 0 3 415.582 2.467 20 0 HEADHN CC(C)COC(=O)N1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 ZINC000746190242 1078820398 /nfs/dbraw/zinc/82/03/98/1078820398.db2.gz JBIARGOAVQONBM-UHFFFAOYSA-N 0 3 402.539 2.136 20 0 HEADHN CCN1C(=S)N=NC1[C@@H]1CCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000746230012 1078822278 /nfs/dbraw/zinc/82/22/78/1078822278.db2.gz CJZZCWOKMCUAMX-MRXNPFEDSA-N 0 3 407.584 2.328 20 0 HEADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000746220677 1078824899 /nfs/dbraw/zinc/82/48/99/1078824899.db2.gz YJCPYNZTXVPYRJ-QFBILLFUSA-N 0 3 405.539 2.025 20 0 HEADHN CCNC(=O)COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1OC ZINC000770387389 1078849708 /nfs/dbraw/zinc/84/97/08/1078849708.db2.gz PSQOCCFLXMCSPM-MOPGFXCFSA-N 0 3 416.522 2.032 20 0 HEADHN C/C(=C\C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1OC(F)F ZINC000766341061 1078853119 /nfs/dbraw/zinc/85/31/19/1078853119.db2.gz RBECLVDEUCJYDB-IAOULYHDSA-N 0 3 407.461 2.456 20 0 HEADHN C[C@H]1NC(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)=NN(c2ccccc2)C1=O ZINC000746361237 1078874616 /nfs/dbraw/zinc/87/46/16/1078874616.db2.gz XZLIZUAWGNRTEQ-WIYYLYMNSA-N 0 3 419.529 2.448 20 0 HEADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1F ZINC000746344985 1078867129 /nfs/dbraw/zinc/86/71/29/1078867129.db2.gz NNLGWDTVVZAQGH-MRXNPFEDSA-N 0 3 411.543 2.316 20 0 HEADHN CC(C)[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1F ZINC000746344985 1078867133 /nfs/dbraw/zinc/86/71/33/1078867133.db2.gz NNLGWDTVVZAQGH-MRXNPFEDSA-N 0 3 411.543 2.316 20 0 HEADHN Cc1ccc(Cn2nccc2NC(=O)C(=O)N(CCc2ccccc2)CCN(C)C)o1 ZINC000746365381 1078877441 /nfs/dbraw/zinc/87/74/41/1078877441.db2.gz PWZIKIBJGCHOJF-UHFFFAOYSA-N 0 3 423.517 2.404 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 ZINC000766345306 1078879327 /nfs/dbraw/zinc/87/93/27/1078879327.db2.gz PIIJUXJCMBLXIE-SFHVURJKSA-N 0 3 416.522 2.412 20 0 HEADHN COC(=O)C1(C)CCC(N2CCO[C@@]3(C2)COCCN(Cc2cccnc2)C3)CC1 ZINC001168782122 1078905436 /nfs/dbraw/zinc/90/54/36/1078905436.db2.gz KZFMVQKOQOCIGP-SDVLMSEASA-N 0 3 417.550 2.107 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766363166 1078924465 /nfs/dbraw/zinc/92/44/65/1078924465.db2.gz HAJUTOHISJZNAN-HSALFYBXSA-N 0 3 401.507 2.015 20 0 HEADHN COCCN1CCC[C@H]1CNC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000766378225 1078927989 /nfs/dbraw/zinc/92/79/89/1078927989.db2.gz QFHLQAYSKROCQC-UXHICEINSA-N 0 3 403.523 2.262 20 0 HEADHN COC(=O)C[C@]1(NCc2cc(Br)c3c(c2)OCCO3)CCCOC1 ZINC000770676018 1078929503 /nfs/dbraw/zinc/92/95/03/1078929503.db2.gz GZLNRDNVOXAMBW-QGZVFWFLSA-N 0 3 400.269 2.422 20 0 HEADHN CCC[C@H]1CN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CCN1CCOC ZINC000766383356 1078934039 /nfs/dbraw/zinc/93/40/39/1078934039.db2.gz YHJVXLUHEXJNQC-PISNEZEASA-N 0 3 400.523 2.312 20 0 HEADHN Cc1cc2c(cc1Br)N(CN1C(=O)NC3(CCN(C)CC3)C1=O)CCC2 ZINC000766368708 1078935531 /nfs/dbraw/zinc/93/55/31/1078935531.db2.gz GTJMVFGRNZMWBF-UHFFFAOYSA-N 0 3 421.339 2.484 20 0 HEADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)Nc1cnn(C)c1C1CC1 ZINC000770731045 1078968434 /nfs/dbraw/zinc/96/84/34/1078968434.db2.gz NGDVLEIHSSRFBU-UHFFFAOYSA-N 0 3 405.449 2.105 20 0 HEADHN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCOc2ccc(F)cc2)C1 ZINC001109721604 1079004202 /nfs/dbraw/zinc/00/42/02/1079004202.db2.gz OHUYSIUBLMYMEX-UPSZCFJUSA-N 0 3 403.498 2.218 20 0 HEADHN CC[C@@H](NC(=O)C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H](O)c1ccccc1 ZINC000770749586 1079005477 /nfs/dbraw/zinc/00/54/77/1079005477.db2.gz FZNCGOYNDITYOL-YADHBBJMSA-N 0 3 424.545 2.395 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000770802888 1079025286 /nfs/dbraw/zinc/02/52/86/1079025286.db2.gz RQOSZNOTAVVECK-INIZCTEOSA-N 0 3 421.973 2.021 20 0 HEADHN COC(=O)[C@H](CN[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1)NC(=O)OC(C)(C)C ZINC001168818905 1079051787 /nfs/dbraw/zinc/05/17/87/1079051787.db2.gz UFGXHTORNHAHTI-RDBSUJKOSA-N 0 3 401.504 2.040 20 0 HEADHN C[C@H]1C[C@H](n2nc(C(=O)N3CC=CC3)c3c2CCNC3)CN1C(=O)OC(C)(C)C ZINC001168849857 1079061101 /nfs/dbraw/zinc/06/11/01/1079061101.db2.gz LYZBATRBSCCINH-GJZGRUSLSA-N 0 3 401.511 2.111 20 0 HEADHN COc1ccc(CN2CC[C@H](NCc3ccc(S(C)(=O)=O)cc3)CC2=O)cc1 ZINC001168893502 1079063315 /nfs/dbraw/zinc/06/33/15/1079063315.db2.gz PMIRRDBTWNJLBF-SFHVURJKSA-N 0 3 402.516 2.380 20 0 HEADHN COc1ccc(CN2CC[C@H](NCc3ccnc(N4CCCNC4=O)c3)CC2=O)cc1 ZINC001168917978 1079075580 /nfs/dbraw/zinc/07/55/80/1079075580.db2.gz ZTICUHIKAYISHE-IBGZPJMESA-N 0 3 423.517 2.291 20 0 HEADHN COc1ccc(CN2CC[C@@H](N3CCN(c4cccc(OC)n4)CC3)CC2=O)cc1 ZINC001168950719 1079085311 /nfs/dbraw/zinc/08/53/11/1079085311.db2.gz ZCSJMZLDCYNIPM-LJQANCHMSA-N 0 3 410.518 2.412 20 0 HEADHN COc1ccc(NC(=O)Cc2noc([C@]3(O)CCN(Cc4ccccc4)C3)n2)cc1 ZINC000771059309 1079119687 /nfs/dbraw/zinc/11/96/87/1079119687.db2.gz KLLBXGVFXJRHFS-QFIPXVFZSA-N 0 3 408.458 2.353 20 0 HEADHN CN1CCN(CCC(C)(C)NC(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 ZINC000771113847 1079158978 /nfs/dbraw/zinc/15/89/78/1079158978.db2.gz CHOCJDJNAFYOMS-UHFFFAOYSA-N 0 3 403.527 2.176 20 0 HEADHN CC(C)(C)OC(=O)NC[C@H](NCC(=O)NCc1cnn(-c2ccccc2)c1)C1CC1 ZINC001169112202 1079159702 /nfs/dbraw/zinc/15/97/02/1079159702.db2.gz NKSDAHQOOHLAKU-IBGZPJMESA-N 0 3 413.522 2.381 20 0 HEADHN Cc1cccc(CN2CC[C@H](NC(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)C2)c1 ZINC001169148856 1079165921 /nfs/dbraw/zinc/16/59/21/1079165921.db2.gz FUKGNQDEFXWKSH-OTWHNJEPSA-N 0 3 403.523 2.368 20 0 HEADHN O=C(Nc1c[nH]nc1[C@@H]1CCCN(C[C@H](O)CC2(O)CCOCC2)C1)C1CCCC1 ZINC001169187629 1079176966 /nfs/dbraw/zinc/17/69/66/1079176966.db2.gz JIDYBZHDVAHLFO-QZTJIDSGSA-N 0 3 420.554 2.010 20 0 HEADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCCC(F)(F)[C@@H](F)C1 ZINC001169194047 1079181676 /nfs/dbraw/zinc/18/16/76/1079181676.db2.gz YDDYBTHLMQKCMA-KBPBESRZSA-N 0 3 415.460 2.062 20 0 HEADHN Cc1csc([C@@H](C)N[C@H](C)CCCCn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC001169170333 1079186195 /nfs/dbraw/zinc/18/61/95/1079186195.db2.gz UXWMFOHQGVYNGX-TZMCWYRMSA-N 0 3 404.540 2.108 20 0 HEADHN COc1cc(CCNc2nccc(CN3CC[C@@H](CO)C3)c2C(OC)OC)ccn1 ZINC001169222928 1079201507 /nfs/dbraw/zinc/20/15/07/1079201507.db2.gz PJZXPEDWEHYEQY-QGZVFWFLSA-N 0 3 416.522 2.245 20 0 HEADHN CCOC(=O)[C@H]1CC[C@H](N[C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)CO1 ZINC001169346053 1079233039 /nfs/dbraw/zinc/23/30/39/1079233039.db2.gz DACWCZZWWGFUSO-JLJPHGGASA-N 0 3 402.447 2.129 20 0 HEADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001687510733 1079253555 /nfs/dbraw/zinc/25/35/55/1079253555.db2.gz FDMWMRXJPMUDPP-OKYOBFRVSA-N 0 3 423.602 2.100 20 0 HEADHN CCOC(=O)[C@@H]1CC[C@H](N2CCC[C@@]3(C2)COCCN(c2ncccc2F)C3)CO1 ZINC001169391795 1079261779 /nfs/dbraw/zinc/26/17/79/1079261779.db2.gz KDNJDDXLMAGQMQ-JLMWRMLUSA-N 0 3 421.513 2.250 20 0 HEADHN CCN(CC)C(=O)C[C@H](C)NC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001169460786 1079306154 /nfs/dbraw/zinc/30/61/54/1079306154.db2.gz ZCQODVSNSQCASZ-GJZGRUSLSA-N 0 3 401.548 2.458 20 0 HEADHN CC(=O)N1CC[C@@H](NCc2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001169508895 1079317157 /nfs/dbraw/zinc/31/71/57/1079317157.db2.gz COMPLXPAFTXZNB-LJQANCHMSA-N 0 3 402.539 2.454 20 0 HEADHN CC(=O)N1CC[C@H](N([C@@H](c2ccccc2)[C@@H](N)c2ccccc2)S(C)(=O)=O)C1 ZINC001169525328 1079322780 /nfs/dbraw/zinc/32/27/80/1079322780.db2.gz BNPPSFBLXKXTJV-ACRUOGEOSA-N 0 3 401.532 2.310 20 0 HEADHN CC(=O)N1CCC2(CC1)c1ccc(N3CCCc4ccc(CN)nc43)cc1NC2=O ZINC001169592496 1079337144 /nfs/dbraw/zinc/33/71/44/1079337144.db2.gz WEFPDXOWTQGIRF-UHFFFAOYSA-N 0 3 405.502 2.457 20 0 HEADHN Cc1ccc(NC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c(Br)n1 ZINC000771503473 1079364718 /nfs/dbraw/zinc/36/47/18/1079364718.db2.gz PPBFHJSBOXNAKT-CQSZACIVSA-N 0 3 412.332 2.217 20 0 HEADHN Cc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000771657152 1079426869 /nfs/dbraw/zinc/42/68/69/1079426869.db2.gz JVIHZAUTQLENSE-QGZVFWFLSA-N 0 3 416.595 2.075 20 0 HEADHN CC(C)N1CCN(c2ccc(Nc3cc(=O)n(C)c(=O)n3-c3ccccc3)cn2)CC1 ZINC001169957832 1079493816 /nfs/dbraw/zinc/49/38/16/1079493816.db2.gz HUXSFVDGYPARNY-UHFFFAOYSA-N 0 3 420.517 2.205 20 0 HEADHN O=C1CN(/C=C\c2ccccc2)C(=O)N1CN1CCC(CCN2CCOCC2)CC1 ZINC000738112613 1075966150 /nfs/dbraw/zinc/96/61/50/1075966150.db2.gz YRWVFDRDFQWLPP-LCYFTJDESA-N 0 3 412.534 2.313 20 0 HEADHN Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCC(CCN3CCOCC3)CC2)C1=O ZINC000738111558 1075966200 /nfs/dbraw/zinc/96/62/00/1075966200.db2.gz NHAZWYYHIPFBIS-QHCPKHFHSA-N 0 3 414.550 2.154 20 0 HEADHN CC(C)(C)[C@@H]1CCc2c(sc(=O)n2CN2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000738160573 1075970870 /nfs/dbraw/zinc/97/08/70/1075970870.db2.gz JYRJVECPDSFMDD-QGZVFWFLSA-N 0 3 420.623 2.258 20 0 HEADHN CN1CC[C@@H]2CN(C(=O)c3cc(Br)nn3-c3ncccc3Cl)C[C@@H]21 ZINC001273359448 1075976472 /nfs/dbraw/zinc/97/64/72/1075976472.db2.gz GVXFOTRZSFJWTP-MFKMUULPSA-N 0 3 410.703 2.459 20 0 HEADHN CN(CCN1CCN(S(=O)(=O)c2cccnc2Cl)CC1)Cc1ccccc1 ZINC000738374094 1075991931 /nfs/dbraw/zinc/99/19/31/1075991931.db2.gz NJCRTOCYCBYSCE-UHFFFAOYSA-N 0 3 408.955 2.173 20 0 HEADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000739078512 1076038907 /nfs/dbraw/zinc/03/89/07/1076038907.db2.gz CYEYOGITYMKVNO-KZNAEPCWSA-N 0 3 402.539 2.087 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000739696515 1076072601 /nfs/dbraw/zinc/07/26/01/1076072601.db2.gz JARGOQKHBUHZMD-DLBZAZTESA-N 0 3 411.543 2.071 20 0 HEADHN O=C(COC(=O)C1(O)CCC1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000740228211 1076129519 /nfs/dbraw/zinc/12/95/19/1076129519.db2.gz OTUSFJZKNOTDTE-UHFFFAOYSA-N 0 3 423.513 2.406 20 0 HEADHN C[C@H](CNC(=O)C(=O)Nc1ccc(-c2ccccc2)cc1F)CN1CCN(C)CC1 ZINC000740493161 1076172306 /nfs/dbraw/zinc/17/23/06/1076172306.db2.gz AQBMBTXMJFDCKB-QGZVFWFLSA-N 0 3 412.509 2.431 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3cnc4onc(C)c4c3)cc2)CC1 ZINC000740950159 1076311520 /nfs/dbraw/zinc/31/15/20/1076311520.db2.gz OSXHVVOZWHMCIA-UHFFFAOYSA-N 0 3 423.473 2.469 20 0 HEADHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000741099935 1076370308 /nfs/dbraw/zinc/37/03/08/1076370308.db2.gz PJPPEEGTIMRUIO-MAUKXSAKSA-N 0 3 418.538 2.448 20 0 HEADHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN(C)C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000741099937 1076370405 /nfs/dbraw/zinc/37/04/05/1076370405.db2.gz PJPPEEGTIMRUIO-QAPCUYQASA-N 0 3 418.538 2.448 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)CCO1 ZINC000741267769 1076437607 /nfs/dbraw/zinc/43/76/07/1076437607.db2.gz ALOSEAFYZUGMGE-WOJBJXKFSA-N 0 3 403.523 2.433 20 0 HEADHN CCOC(=O)[C@H]1CN(C(=O)NC[C@@H](c2cccc(OC)c2)N(CC)CC)CCO1 ZINC000741268139 1076437941 /nfs/dbraw/zinc/43/79/41/1076437941.db2.gz DNKCYENEBGBHGF-RBUKOAKNSA-N 0 3 407.511 2.052 20 0 HEADHN CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)C2CCN(Cc3ccccc3)CC2)C1 ZINC000741332042 1076479071 /nfs/dbraw/zinc/47/90/71/1076479071.db2.gz YSXDHTFMENDVGI-HXUWFJFHSA-N 0 3 416.518 2.244 20 0 HEADHN CCN(CCNC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C ZINC000741406306 1076512376 /nfs/dbraw/zinc/51/23/76/1076512376.db2.gz ATOKJAYWNJXAJF-QFIPXVFZSA-N 0 3 420.554 2.180 20 0 HEADHN C[C@H](NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc2c(c1)CC(=O)N2C ZINC000741414736 1076515512 /nfs/dbraw/zinc/51/55/12/1076515512.db2.gz VFUIMUNSPLPGEM-XDHUDOTRSA-N 0 3 422.529 2.203 20 0 HEADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc(CN2CCOC2=O)cc1 ZINC000741391769 1076518937 /nfs/dbraw/zinc/51/89/37/1076518937.db2.gz NPBYSIQZDFDMJJ-QHCPKHFHSA-N 0 3 424.501 2.397 20 0 HEADHN CN(C(=O)c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1)[C@H]1CCCN(C)C1 ZINC000741713721 1076589939 /nfs/dbraw/zinc/58/99/39/1076589939.db2.gz HITYLJJKGBILDK-KRWDZBQOSA-N 0 3 404.511 2.316 20 0 HEADHN CCOC(=O)N1CCN(C(=O)CN2CCC[C@H](Cc3ccc(OC)cc3)C2)CC1 ZINC000741800285 1076640972 /nfs/dbraw/zinc/64/09/72/1076640972.db2.gz UWZQHZMZULPKBU-LJQANCHMSA-N 0 3 403.523 2.250 20 0 HEADHN Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=S)NC3CCN(C)CC3)CC2)c(C)c1 ZINC000737451143 1076651798 /nfs/dbraw/zinc/65/17/98/1076651798.db2.gz JVJLSZUZPBVIJR-SFHVURJKSA-N 0 3 418.607 2.184 20 0 HEADHN COc1ccc(-c2nn(CN3CCN(CC(C)(C)O)CC3)c(=O)c3ccccc32)cc1 ZINC000742151341 1076767395 /nfs/dbraw/zinc/76/73/95/1076767395.db2.gz SPFSKFOBLOTERW-UHFFFAOYSA-N 0 3 422.529 2.418 20 0 HEADHN O=C(OCc1ccccc1)N1CCC[C@H](S(=O)(=O)NC[C@@H]2CCN(C3CC3)C2)C1 ZINC000742275275 1076808269 /nfs/dbraw/zinc/80/82/69/1076808269.db2.gz MRKJYVSLLBWLRS-ICSRJNTNSA-N 0 3 421.563 2.191 20 0 HEADHN CCOC(=O)N1CCC(S(=O)(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 ZINC000742280169 1076809650 /nfs/dbraw/zinc/80/96/50/1076809650.db2.gz MOGAGSYVSAVYEQ-UHFFFAOYSA-N 0 3 423.579 2.500 20 0 HEADHN CN(C[C@@H]1CCCN(C)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000742297077 1076820916 /nfs/dbraw/zinc/82/09/16/1076820916.db2.gz VJZABIKXELMQGX-UXHICEINSA-N 0 3 423.579 2.391 20 0 HEADHN CCN(CC)[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 ZINC000742345484 1076831687 /nfs/dbraw/zinc/83/16/87/1076831687.db2.gz YDLAFNXONQRIAC-GFCCVEGCSA-N 0 3 419.341 2.341 20 0 HEADHN Cc1ccc([C@H](CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)N(C)C)cc1 ZINC000742396780 1076834238 /nfs/dbraw/zinc/83/42/38/1076834238.db2.gz GXNXMCUXGHTNAN-KRWDZBQOSA-N 0 3 405.520 2.405 20 0 HEADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 ZINC000742396308 1076834247 /nfs/dbraw/zinc/83/42/47/1076834247.db2.gz AHFYVIBYGMUWNG-LJQANCHMSA-N 0 3 407.511 2.465 20 0 HEADHN CCOC(=O)C1C(CN2CCN(C3CC3)CC2)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC000742600200 1076855047 /nfs/dbraw/zinc/85/50/47/1076855047.db2.gz DJMRXWBMDGKVKZ-LJQANCHMSA-N 0 3 418.925 2.291 20 0 HEADHN C[C@H](CNC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1)CN1CCN(C)CC1 ZINC000742669846 1076862956 /nfs/dbraw/zinc/86/29/56/1076862956.db2.gz DHIFFUXATPZXFE-CQSZACIVSA-N 0 3 416.444 2.411 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)c2ccc(CNC(=O)C=C(C)C)cc2)CC1 ZINC000742669844 1076863005 /nfs/dbraw/zinc/86/30/05/1076863005.db2.gz DFVZARQEEMEZNH-LJQANCHMSA-N 0 3 400.567 2.272 20 0 HEADHN O=C(CCNCc1cc2ccccc2nc1N1CCOCC1)NCc1cccnc1 ZINC000742691873 1076867380 /nfs/dbraw/zinc/86/73/80/1076867380.db2.gz UWBIEBNVSFFXBQ-UHFFFAOYSA-N 0 3 405.502 2.263 20 0 HEADHN CCN1CCN(C[C@H](C)CNC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000742834074 1076885265 /nfs/dbraw/zinc/88/52/65/1076885265.db2.gz JEOVLHWFDRBHOI-GOSISDBHSA-N 0 3 410.603 2.413 20 0 HEADHN C[C@H]1CN(C(=S)NC2CCN(C)CC2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000743017291 1076929202 /nfs/dbraw/zinc/92/92/02/1076929202.db2.gz IKIFCZIFESQXTL-HNNXBMFYSA-N 0 3 408.999 2.384 20 0 HEADHN CC[C@H]1CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CCS1 ZINC000743399548 1077042995 /nfs/dbraw/zinc/04/29/95/1077042995.db2.gz BJXWVGRGJFGUBZ-RXVVDRJESA-N 0 3 402.564 2.358 20 0 HEADHN CC(C)(C)OC(=O)N[C@H](CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 ZINC000743594210 1077077525 /nfs/dbraw/zinc/07/75/25/1077077525.db2.gz QYLOAOOFWVHRQA-IPMKNSEASA-N 0 3 418.538 2.415 20 0 HEADHN COCCN1CC[C@@H](NC(=O)NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)C1 ZINC000743626543 1077082435 /nfs/dbraw/zinc/08/24/35/1077082435.db2.gz LJEZRSCYJSDKHR-MSOLQXFVSA-N 0 3 406.527 2.272 20 0 HEADHN CCOC(=O)N1CCC(NC(=O)CN2CC[C@@H](C)N(Cc3ccccc3)CC2)CC1 ZINC000743872469 1077156969 /nfs/dbraw/zinc/15/69/69/1077156969.db2.gz YHMWLQBOXDLSGG-LJQANCHMSA-N 0 3 416.566 2.320 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cccc1N1CCOC1=O ZINC000743882556 1077168346 /nfs/dbraw/zinc/16/83/46/1077168346.db2.gz ATGXITGFTBMBKI-CABCVRRESA-N 0 3 402.495 2.127 20 0 HEADHN Cc1c(NC(=O)C(=O)NC[C@H](C)N2CCCC[C@H]2C)cccc1N1CCOC1=O ZINC000743885175 1077175439 /nfs/dbraw/zinc/17/54/39/1077175439.db2.gz TXKZMCGMXYOMJY-CABCVRRESA-N 0 3 402.495 2.269 20 0 HEADHN COC(=O)c1ccsc1NC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000743889804 1077184348 /nfs/dbraw/zinc/18/43/48/1077184348.db2.gz QYDZBGGYHUXUDF-UHFFFAOYSA-N 0 3 403.504 2.106 20 0 HEADHN CSCC[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000743912287 1077189275 /nfs/dbraw/zinc/18/92/75/1077189275.db2.gz URANLKXKVSYPRA-YJBOKZPZSA-N 0 3 420.579 2.049 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000743915631 1077193807 /nfs/dbraw/zinc/19/38/07/1077193807.db2.gz ZWIZGJXGGGHZRZ-NVXWUHKLSA-N 0 3 405.470 2.065 20 0 HEADHN O=C(Nc1ccc(N2CCSCC2)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000743907843 1077222859 /nfs/dbraw/zinc/22/28/59/1077222859.db2.gz ZFXVISVXSIAPDW-LJQANCHMSA-N 0 3 402.564 2.265 20 0 HEADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1cc(N2CCOC2=O)ccc1C ZINC000743910738 1077224042 /nfs/dbraw/zinc/22/40/42/1077224042.db2.gz IAURSMBDPNMFTO-MRXNPFEDSA-N 0 3 402.495 2.271 20 0 HEADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccc(N3CCOC3=O)cc2)C1 ZINC000743972596 1077275410 /nfs/dbraw/zinc/27/54/10/1077275410.db2.gz RIVVABZDXXGRAG-FQEVSTJZSA-N 0 3 422.485 2.315 20 0 HEADHN COC(=O)NCc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)Cc3ccccc3)C2)cc1 ZINC000743971995 1077275735 /nfs/dbraw/zinc/27/57/35/1077275735.db2.gz GGGNEBAFEPWRTL-FQEVSTJZSA-N 0 3 424.501 2.214 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)C(=O)N[C@H](C)CCc3cccn3C)cc2)CC1 ZINC000743951039 1077280191 /nfs/dbraw/zinc/28/01/91/1077280191.db2.gz XQGAAHUKBLVFIX-GOSISDBHSA-N 0 3 411.550 2.243 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000743979643 1077292341 /nfs/dbraw/zinc/29/23/41/1077292341.db2.gz UZWVSGZBLNCWSJ-ZBFHGGJFSA-N 0 3 409.914 2.437 20 0 HEADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(CC(=O)N(C)c2ccccc2)cc1 ZINC000743980368 1077293615 /nfs/dbraw/zinc/29/36/15/1077293615.db2.gz ZDAKOTSQRAFDFF-GOSISDBHSA-N 0 3 422.529 2.431 20 0 HEADHN COc1cc(Br)c(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1OC ZINC000743980204 1077294029 /nfs/dbraw/zinc/29/40/29/1077294029.db2.gz XJOVJJUZSIDOSP-NSHDSACASA-N 0 3 414.300 2.005 20 0 HEADHN Cc1ccc(NC(=O)C(=O)NCCN2CCC[C@@H]2C)cc1I ZINC000743982349 1077294733 /nfs/dbraw/zinc/29/47/33/1077294733.db2.gz WOZUHYXFDUDBPC-LBPRGKRZSA-N 0 3 415.275 2.139 20 0 HEADHN CCNS(=O)(=O)c1ccc(F)c(C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000744098247 1077322623 /nfs/dbraw/zinc/32/26/23/1077322623.db2.gz CEVUAFIFAHPDOA-UHFFFAOYSA-N 0 3 407.511 2.328 20 0 HEADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000744117237 1077323103 /nfs/dbraw/zinc/32/31/03/1077323103.db2.gz ZGPSCCLCTPTEGP-UHFFFAOYSA-N 0 3 423.510 2.407 20 0 HEADHN COC(=O)CCN(CC(=O)N[C@H](c1nccs1)c1ccccc1)C1CCOCC1 ZINC000744427674 1077390390 /nfs/dbraw/zinc/39/03/90/1077390390.db2.gz XTHPHEMQSCLLRB-FQEVSTJZSA-N 0 3 417.531 2.393 20 0 HEADHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](C)N[C@H](CO)C2CC2)c1 ZINC000771806039 1079539046 /nfs/dbraw/zinc/53/90/46/1079539046.db2.gz HOCGSADKFVSKLE-YVEFUNNKSA-N 0 3 417.959 2.058 20 0 HEADHN C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000766973449 1079569391 /nfs/dbraw/zinc/56/93/91/1079569391.db2.gz IWUXVBUCYYCGFQ-SUMWQHHRSA-N 0 3 412.458 2.376 20 0 HEADHN Cc1sc2nc(COC(=O)C3CC[C@@H](C(F)(F)F)NC3=O)nc(N)c2c1C ZINC000771898748 1079582092 /nfs/dbraw/zinc/58/20/92/1079582092.db2.gz OUOUEMCMRYIFQC-BDAKNGLRSA-N 0 3 402.398 2.391 20 0 HEADHN Cn1ccnc1[C@@H](O)C1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1 ZINC000771947947 1079597224 /nfs/dbraw/zinc/59/72/24/1079597224.db2.gz DCHQSNKNWVKUMK-NRFANRHFSA-N 0 3 411.550 2.324 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)N1CCc2sc(Br)cc2C1 ZINC000771975678 1079618109 /nfs/dbraw/zinc/61/81/09/1079618109.db2.gz DYPCDHCDTWBENO-OLZOCXBDSA-N 0 3 400.342 2.442 20 0 HEADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000767036238 1079620761 /nfs/dbraw/zinc/62/07/61/1079620761.db2.gz GGGCJJXZPFECDY-INIZCTEOSA-N 0 3 412.506 2.178 20 0 HEADHN CNC(=O)COc1cccc(CC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)c1 ZINC000772032896 1079658199 /nfs/dbraw/zinc/65/81/99/1079658199.db2.gz MPFVMRBRXLBRNF-RBBKRZOGSA-N 0 3 407.514 2.497 20 0 HEADHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000767124713 1079691017 /nfs/dbraw/zinc/69/10/17/1079691017.db2.gz JKAASZCMANFOQQ-CHWSQXEVSA-N 0 3 408.442 2.348 20 0 HEADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cc(I)c(F)cc1F ZINC000772068798 1079706939 /nfs/dbraw/zinc/70/69/39/1079706939.db2.gz CCNDQQVUMWCSIG-ZJUUUORDSA-N 0 3 422.213 2.162 20 0 HEADHN CCNc1nc(NCC[C@@](O)(c2nccn2C)C(F)(F)F)nc(NC(C)(C)C)n1 ZINC000804349043 1079731242 /nfs/dbraw/zinc/73/12/42/1079731242.db2.gz IIBPMUSFOUSWAZ-MRXNPFEDSA-N 0 3 416.452 2.499 20 0 HEADHN O=C(C[C@H]1C=CS(=O)(=O)C1)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000772220092 1079746264 /nfs/dbraw/zinc/74/62/64/1079746264.db2.gz HATDYNIWTBPIBJ-MSOLQXFVSA-N 0 3 400.504 2.217 20 0 HEADHN CN(C)C[C@H]1CN(S(=O)(=O)CCC(=O)OCc2ccccc2)c2ccccc2O1 ZINC000767300584 1079800269 /nfs/dbraw/zinc/80/02/69/1079800269.db2.gz VFZVDNYNBCXAHJ-SFHVURJKSA-N 0 3 418.515 2.279 20 0 HEADHN COC(=O)/C=C/c1ccc(OCCN[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000767337675 1079810708 /nfs/dbraw/zinc/81/07/08/1079810708.db2.gz NIHRDZVQOLZNSG-SHQCLWGWSA-N 0 3 404.488 2.250 20 0 HEADHN O=S1(=O)CCC(O)(CN2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000767363888 1079829715 /nfs/dbraw/zinc/82/97/15/1079829715.db2.gz KXQSDZWRYRTTJJ-MRXNPFEDSA-N 0 3 402.354 2.396 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000772487552 1079902983 /nfs/dbraw/zinc/90/29/83/1079902983.db2.gz IAAYCMMTTCRNDQ-IAGOWNOFSA-N 0 3 412.515 2.151 20 0 HEADHN CC[C@]1(C)CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CCO1 ZINC000785509677 1080027905 /nfs/dbraw/zinc/02/79/05/1080027905.db2.gz DWYABLJLQINDOG-YADHBBJMSA-N 0 3 400.523 2.031 20 0 HEADHN CC(C)(C)OC(=O)N1C[C@@H](N2CCN3CCCC[C@H]3C2)C[C@H]1C(=O)N1CCSC1 ZINC001170047449 1080045110 /nfs/dbraw/zinc/04/51/10/1080045110.db2.gz DRBOFZKXDMKQAY-BZSNNMDCSA-N 0 3 424.611 2.067 20 0 HEADHN CSC[C@H]1CCCN1CN1C(=O)N[C@@]2(CCCN(Cc3ccccc3)C2)C1=O ZINC000767769606 1080077769 /nfs/dbraw/zinc/07/77/69/1080077769.db2.gz BJGUCNSSVNAUBN-WIYYLYMNSA-N 0 3 402.564 2.358 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](Cc2ccc(F)cc2F)C(C)=O)CC1=O ZINC000785647559 1080097018 /nfs/dbraw/zinc/09/70/18/1080097018.db2.gz LEMWSDQKZNQJDP-POAQFYNOSA-N 0 3 422.472 2.341 20 0 HEADHN CCN1CCC[C@@H]1CN1C[C@H](C(=O)OCC(=O)c2cc(F)c(C)cc2F)CC1=O ZINC000785651203 1080099697 /nfs/dbraw/zinc/09/96/97/1080099697.db2.gz DKWTYAYIVVSUCZ-HUUCEWRRSA-N 0 3 408.445 2.332 20 0 HEADHN CN(C[C@H]1CCCCO1)[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170048912 1080160376 /nfs/dbraw/zinc/16/03/76/1080160376.db2.gz VJQWVFYQAJYABL-BBWFWOEESA-N 0 3 413.584 2.398 20 0 HEADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccc(CN2CCOC2=O)cc1 ZINC000785714222 1080222450 /nfs/dbraw/zinc/22/24/50/1080222450.db2.gz ODPOCGMNKYOJFG-MRXNPFEDSA-N 0 3 402.495 2.356 20 0 HEADHN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(Cc2ccnc(N)c2)C1 ZINC000785770033 1080239502 /nfs/dbraw/zinc/23/95/02/1080239502.db2.gz VPLTWRHGOLFFEP-ZWKOTPCHSA-N 0 3 417.554 2.392 20 0 HEADHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)N(C)C ZINC000786024364 1080339397 /nfs/dbraw/zinc/33/93/97/1080339397.db2.gz DNWZGRICGBXUDI-OXQOHEQNSA-N 0 3 406.490 2.322 20 0 HEADHN C[C@@H](CNC(=O)CN(C(=O)OC(C)(C)C)c1ccccc1)CN1CCN(C)CC1 ZINC000768163251 1080379614 /nfs/dbraw/zinc/37/96/14/1080379614.db2.gz BWQAJTRUTAGYEY-SFHVURJKSA-N 0 3 404.555 2.428 20 0 HEADHN COC(=O)CCc1cccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)c1 ZINC000786327759 1080563779 /nfs/dbraw/zinc/56/37/79/1080563779.db2.gz IUZWYKMUIHYZOS-UHFFFAOYSA-N 0 3 401.507 2.208 20 0 HEADHN CN(CC(=O)NCCCCN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1C=O ZINC000746588377 1080630670 /nfs/dbraw/zinc/63/06/70/1080630670.db2.gz JUEMHZZUIUOCKM-UHFFFAOYSA-N 0 3 414.472 2.098 20 0 HEADHN CCN1CCN(c2ccc(NC(=O)COC(=O)c3ccnc(Cl)c3N)cc2)CC1 ZINC000768566887 1080634831 /nfs/dbraw/zinc/63/48/31/1080634831.db2.gz RHUTVONTNIZBHC-UHFFFAOYSA-N 0 3 417.897 2.255 20 0 HEADHN C[C@H](CN(C)S(C)(=O)=O)OC(=O)C1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000786599031 1080701730 /nfs/dbraw/zinc/70/17/30/1080701730.db2.gz GUGRITYOBBRABJ-PWSUYJOCSA-N 0 3 423.318 2.169 20 0 HEADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000768719962 1080735779 /nfs/dbraw/zinc/73/57/79/1080735779.db2.gz HBOIQMJKBNJIRX-MRXNPFEDSA-N 0 3 419.913 2.033 20 0 HEADHN CCN1CCN([C@H](C)CNC(=O)CN(C)c2ccc(C(F)(F)F)cc2C=O)CC1 ZINC000746602919 1080799286 /nfs/dbraw/zinc/79/92/86/1080799286.db2.gz JWEOPPVVSXMGML-OAHLLOKOSA-N 0 3 414.472 2.096 20 0 HEADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C)CC1 ZINC000786774893 1080816603 /nfs/dbraw/zinc/81/66/03/1080816603.db2.gz BCKIINZPUKNOPA-RDJZCZTQSA-N 0 3 411.543 2.023 20 0 HEADHN O=C(COC(=O)CCN1CCc2ccccc2C1)NCCOc1cccc(F)c1 ZINC000786822030 1080845426 /nfs/dbraw/zinc/84/54/26/1080845426.db2.gz SASXNZPLNGUQRP-UHFFFAOYSA-N 0 3 400.450 2.312 20 0 HEADHN CN(C)CCN(CCc1ccccc1)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000786875084 1080864900 /nfs/dbraw/zinc/86/49/00/1080864900.db2.gz CGOVEXOHDYWUNG-UHFFFAOYSA-N 0 3 409.577 2.468 20 0 HEADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C ZINC000768982007 1080874048 /nfs/dbraw/zinc/87/40/48/1080874048.db2.gz GMJGIFJEHSLGNA-UHFFFAOYSA-N 0 3 422.526 2.021 20 0 HEADHN O=C(Nc1ccn(Cc2ccccn2)n1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000768996529 1080894871 /nfs/dbraw/zinc/89/48/71/1080894871.db2.gz RQNJCIDCDVUYNC-TZIWHRDSSA-N 0 3 420.517 2.331 20 0 HEADHN O=C(NCc1nnc(-c2ccccc2)[nH]1)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000769121771 1080943171 /nfs/dbraw/zinc/94/31/71/1080943171.db2.gz TWWSMQPQSZNUMK-UXHICEINSA-N 0 3 420.517 2.154 20 0 HEADHN CCO[C@H]1C[C@H](NCC(=O)Nc2cc(-n3cnnn3)ccc2F)C12CCCCC2 ZINC001170002529 1081000724 /nfs/dbraw/zinc/00/07/24/1081000724.db2.gz NPJCYKVDIYNPKX-ROUUACIJSA-N 0 3 402.474 2.457 20 0 HEADHN CCN1CCN(CCNC(=O)[C@@H]2c3ccccc3CCN2C(=O)OC(C)(C)C)CC1 ZINC000769204875 1081001216 /nfs/dbraw/zinc/00/12/16/1081001216.db2.gz ISILZCZHJWNYHN-FQEVSTJZSA-N 0 3 416.566 2.275 20 0 HEADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccn(CCS(C)(=O)=O)n1 ZINC000769240981 1081012814 /nfs/dbraw/zinc/01/28/14/1081012814.db2.gz OMERLCJIHNHCCD-SFHVURJKSA-N 0 3 421.567 2.206 20 0 HEADHN Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000769258257 1081019357 /nfs/dbraw/zinc/01/93/57/1081019357.db2.gz ABAVZPJZBKLVSC-INIZCTEOSA-N 0 3 401.486 2.308 20 0 HEADHN C[C@@H](CNC(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)N1CCC(C)CC1 ZINC000769367121 1081054625 /nfs/dbraw/zinc/05/46/25/1081054625.db2.gz BBOXIKYHGKZVRD-INIZCTEOSA-N 0 3 411.493 2.482 20 0 HEADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000787189285 1081055758 /nfs/dbraw/zinc/05/57/58/1081055758.db2.gz ONQZGUKLZUZWGG-BPQIPLTHSA-N 0 3 423.355 2.190 20 0 HEADHN Cn1cc(CN2CCN(CCCCO)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000769394682 1081076488 /nfs/dbraw/zinc/07/64/88/1081076488.db2.gz BJFDGMIJYAUESQ-UHFFFAOYSA-N 0 3 400.523 2.139 20 0 HEADHN CC[C@@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000769483136 1081078943 /nfs/dbraw/zinc/07/89/43/1081078943.db2.gz GNHQRRGZVSGSEZ-RTBURBONSA-N 0 3 418.586 2.354 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@H](C)N2CCC[C@H](C)C2)ccc1OC(C)C ZINC000787233220 1081082069 /nfs/dbraw/zinc/08/20/69/1081082069.db2.gz VIDAULLOVMGRRL-IRXDYDNUSA-N 0 3 405.539 2.335 20 0 HEADHN COc1cc(CNC(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)ccc1OC(C)C ZINC000787236092 1081083956 /nfs/dbraw/zinc/08/39/56/1081083956.db2.gz XQQNTLHDKHNGPG-LJQANCHMSA-N 0 3 405.539 2.335 20 0 HEADHN Cc1c(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000787269272 1081101915 /nfs/dbraw/zinc/10/19/15/1081101915.db2.gz CMQNFTGJHRPOCR-DLBZAZTESA-N 0 3 423.439 2.247 20 0 HEADHN CCN(CCO)CCNC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000769635300 1081152549 /nfs/dbraw/zinc/15/25/49/1081152549.db2.gz HXMBMJGYFSOXCX-SFQUDFHCSA-N 0 3 417.531 2.143 20 0 HEADHN CNC(=O)CN1CCCC12CCN(c1cncc(Oc3cccc(OC)c3)n1)CC2 ZINC001164684580 719731145 /nfs/dbraw/zinc/73/11/45/719731145.db2.gz IGFVTMRRHGQWNV-UHFFFAOYSA-N 0 3 411.506 2.458 20 0 HEADHN Clc1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164738242 720610909 /nfs/dbraw/zinc/61/09/09/720610909.db2.gz BDBYEAVOUUDPKY-MNOVXSKESA-N 0 3 406.277 2.397 20 0 HEADHN Clc1cc(-c2ccncc2)c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164738142 720635603 /nfs/dbraw/zinc/63/56/03/720635603.db2.gz ALACVPUNYCEAFG-CVEARBPZSA-N 0 3 409.881 2.324 20 0 HEADHN CC(C)c1noc(-c2ccnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)n1 ZINC001164750009 720786964 /nfs/dbraw/zinc/78/69/64/720786964.db2.gz UZUZEOWPBFNSNM-DLBZAZTESA-N 0 3 407.478 2.387 20 0 HEADHN Cc1nc(-c2ccncc2)nc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C ZINC001164748292 720787230 /nfs/dbraw/zinc/78/72/30/720787230.db2.gz QJCOLTNGEFRUKB-OALUTQOASA-N 0 3 403.490 2.287 20 0 HEADHN COC(=O)c1cc(Cl)cnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866257 721051177 /nfs/dbraw/zinc/05/11/77/721051177.db2.gz DIJAERXGGPGNEN-DLBZAZTESA-N 0 3 402.882 2.396 20 0 HEADHN COC(=O)c1ccc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2c1 ZINC001164869955 721057171 /nfs/dbraw/zinc/05/71/71/721057171.db2.gz USSQXPXTZZXMAJ-UXHICEINSA-N 0 3 419.485 2.291 20 0 HEADHN COC(=O)c1cc2ccncc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865516 721098061 /nfs/dbraw/zinc/09/80/61/721098061.db2.gz MEWVPKJQJMWIFM-RBUKOAKNSA-N 0 3 419.485 2.291 20 0 HEADHN O=C(NCc1ccco1)[C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164767208 721256094 /nfs/dbraw/zinc/25/60/94/721256094.db2.gz WFVBOTXNDWKASZ-CEWLAPEOSA-N 0 3 410.518 2.286 20 0 HEADHN O=S(=O)(c1ccccc1)N1C[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]2C1 ZINC001164874258 721308975 /nfs/dbraw/zinc/30/89/75/721308975.db2.gz BRQHEBAKNWLVNG-WOJBJXKFSA-N 0 3 412.559 2.434 20 0 HEADHN COc1cnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NC(C)C ZINC001164888537 721378714 /nfs/dbraw/zinc/37/87/14/721378714.db2.gz JZGOSPVYFFVWRL-PGRDOPGGSA-N 0 3 418.586 2.071 20 0 HEADHN Cc1cnc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1NCC1CC1 ZINC001164885574 721378722 /nfs/dbraw/zinc/37/87/22/721378722.db2.gz CMGACXDPZVDBBC-REWPJTCUSA-N 0 3 414.598 2.372 20 0 HEADHN O=C(N[C@@H]1CN(c2ccc(CN3CCCC3)cn2)C[C@@H]2CCCO[C@@H]12)c1cccnc1 ZINC001164786943 721381228 /nfs/dbraw/zinc/38/12/28/721381228.db2.gz VKWIHGCALORXCF-QZNHQXDQSA-N 0 3 421.545 2.486 20 0 HEADHN COC(=O)c1cc(OC)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902168 721524174 /nfs/dbraw/zinc/52/41/74/721524174.db2.gz ZUCQYVXXLYDRLJ-QAPCUYQASA-N 0 3 401.438 2.358 20 0 HEADHN COCCOC(=O)c1ccnc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164903591 721564354 /nfs/dbraw/zinc/56/43/54/721564354.db2.gz CVTPYJHQPRWONA-QUCCMNQESA-N 0 3 415.465 2.366 20 0 HEADHN CN(Cc1cccnc1)[C@H]1CN(c2cccc(N3CCN(C)CC3)n2)[C@H]2CCCO[C@H]12 ZINC001164808867 721565284 /nfs/dbraw/zinc/56/52/84/721565284.db2.gz WBINLRIYAUZEGI-HFMPRLQTSA-N 0 3 422.577 2.097 20 0 HEADHN CCNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164908045 721568021 /nfs/dbraw/zinc/56/80/21/721568021.db2.gz PMKZRUXCKIJNLF-GOEBONIOSA-N 0 3 419.888 2.361 20 0 HEADHN COc1ccc(CN2C(=O)CO[C@@H]3CN(c4ncccc4CN4CCCC4)C[C@@H]32)cc1 ZINC001165020470 721797041 /nfs/dbraw/zinc/79/70/41/721797041.db2.gz FTGPOMWFMGDRLU-FCHUYYIVSA-N 0 3 422.529 2.302 20 0 HEADHN COc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1NC(C)C ZINC001164980674 722099071 /nfs/dbraw/zinc/09/90/71/722099071.db2.gz JXHDWFHVSZHZLP-ICSRJNTNSA-N 0 3 412.538 2.428 20 0 HEADHN Cc1cn(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cn1 ZINC001164978948 722131213 /nfs/dbraw/zinc/13/12/13/722131213.db2.gz LEBDZPNSKSFLRG-VQTJNVASSA-N 0 3 405.506 2.093 20 0 HEADHN CN(C)Cc1ccnc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)c1 ZINC001164989141 722187270 /nfs/dbraw/zinc/18/72/70/722187270.db2.gz HXJJWSYDFPKTEY-UNMCSNQZSA-N 0 3 414.575 2.325 20 0 HEADHN