smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(CN2CCc3c(C(=O)N[C@H](C)CN(C)C)csc3C2)nc1 ZINC000426582719 529644116 /nfs/dbraw/zinc/64/41/16/529644116.db2.gz BSJLGDSSSQKZAB-OAHLLOKOSA-N 0 3 386.565 2.944 50 0 GFAAHN CCc1ccc(CN2CCc3c(C(=O)NC[C@H]4CCN(C)C4)csc3C2)nc1 ZINC000426604236 529644717 /nfs/dbraw/zinc/64/47/17/529644717.db2.gz FSKAGZQSZONABH-QGZVFWFLSA-N 0 3 398.576 2.945 50 0 GFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@@H](NCCc3ccc(Cl)cc3)C2=O)cc1 ZINC000004890763 204087337 /nfs/dbraw/zinc/08/73/37/204087337.db2.gz DOECSZDLQFTPSZ-GOSISDBHSA-N 0 3 385.851 2.763 50 0 GFAAHN Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCN(C)C)Cc1ccco1)CO2 ZINC000006819868 204213153 /nfs/dbraw/zinc/21/31/53/204213153.db2.gz QJPMYKCLPJGYPM-UHFFFAOYSA-N 0 3 394.475 2.934 50 0 GFAAHN COCC(=O)Nc1c2ccccc2oc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000007001764 204229304 /nfs/dbraw/zinc/22/93/04/204229304.db2.gz JZOLSWAGZOGVPX-UHFFFAOYSA-N 0 3 399.447 2.815 50 0 GFAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)C1CCN(C(=O)c2cccs2)CC1 ZINC000008751822 204288802 /nfs/dbraw/zinc/28/88/02/204288802.db2.gz FUZFDTLPEBWPSW-IBGZPJMESA-N 0 3 397.544 2.991 50 0 GFAAHN COCCNC(=O)c1c(C)n([C@H]2CCCN(C(C)C)C2)nc1C(F)(F)F ZINC000036704516 204324829 /nfs/dbraw/zinc/32/48/29/204324829.db2.gz CKKIDAPKGZIMNW-ZDUSSCGKSA-N 0 3 376.423 2.632 50 0 GFAAHN NC(=O)[C@@H]1CCCN(CCNC(=O)c2ccc3nc(C4CCCCC4)oc3c2)C1 ZINC000011838251 204355366 /nfs/dbraw/zinc/35/53/66/204355366.db2.gz VKWSOCCGAWDKRF-QGZVFWFLSA-N 0 3 398.507 2.803 50 0 GFAAHN COc1cccc(CN(C)C2CCCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000039371737 205040644 /nfs/dbraw/zinc/04/06/44/205040644.db2.gz SZPPXEZYQUSNOD-FQEVSTJZSA-N 0 3 392.540 2.532 50 0 GFAAHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000040120126 205053575 /nfs/dbraw/zinc/05/35/75/205053575.db2.gz VJAKJFFLNZNFKV-WBVHZDCISA-N 0 3 397.441 2.654 50 0 GFAAHN Cc1ccc2c(c1)S[C@@H](C(=O)NCc1ccc(N3CCCN(C)CC3)nc1)C2 ZINC000040152045 205058793 /nfs/dbraw/zinc/05/87/93/205058793.db2.gz WFXINNMGJLLQPM-HXUWFJFHSA-N 0 3 396.560 2.865 50 0 GFAAHN O=C(CCN1CCC[C@@H](C(=O)Nc2cnccn2)C1)Nc1ccccc1Cl ZINC000040149659 205059025 /nfs/dbraw/zinc/05/90/25/205059025.db2.gz VFGKOAPKFSCUKS-CQSZACIVSA-N 0 3 387.871 2.809 50 0 GFAAHN COc1cccc(CNCCSc2nnnn2C)c1OCc1cccc(C)c1 ZINC000040721858 205068415 /nfs/dbraw/zinc/06/84/15/205068415.db2.gz KAFCLLSUFRSJTO-UHFFFAOYSA-N 0 3 399.520 2.988 50 0 GFAAHN COc1cc(Br)cc(CNCCN2CCOCC2)c1OC(C)C ZINC000040719573 205068804 /nfs/dbraw/zinc/06/88/04/205068804.db2.gz CPMFQSWBXHHUFZ-UHFFFAOYSA-N 0 3 387.318 2.667 50 0 GFAAHN CCN(CC)[C@@H](CNC(=O)CN1CCCCCC1=O)c1cccc(OC)c1 ZINC000042002057 205079421 /nfs/dbraw/zinc/07/94/21/205079421.db2.gz WTUPKHZXUWRTGJ-IBGZPJMESA-N 0 3 375.513 2.597 50 0 GFAAHN COc1ccc(-c2n[nH]cc2CN2CCN(C3CCCC3)[C@H](CCO)C2)cc1 ZINC000043103306 205082465 /nfs/dbraw/zinc/08/24/65/205082465.db2.gz PJXFCYWFAANCCZ-HXUWFJFHSA-N 0 3 384.524 2.897 50 0 GFAAHN O=C(NCc1ccccc1)C1CCN(C[C@H](O)COCc2ccccc2)CC1 ZINC000048260850 205115821 /nfs/dbraw/zinc/11/58/21/205115821.db2.gz LKBAAIMXSAOQAA-QFIPXVFZSA-N 0 3 382.504 2.593 50 0 GFAAHN CCc1ccccc1OCC(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC000048353787 205120581 /nfs/dbraw/zinc/12/05/81/205120581.db2.gz NYNKAXHYICWJIW-UHFFFAOYSA-N 0 3 381.520 2.692 50 0 GFAAHN CC(C)C(=O)N1CCC[C@H](C(=O)NC[C@@H](c2cccs2)N2CCCC2)C1 ZINC000046147542 205104338 /nfs/dbraw/zinc/10/43/38/205104338.db2.gz GDUXBECIWOUMIQ-IRXDYDNUSA-N 0 3 377.554 2.896 50 0 GFAAHN O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000052840126 205135711 /nfs/dbraw/zinc/13/57/11/205135711.db2.gz YHNNMVPFLGBTHY-MRXNPFEDSA-N 0 3 398.488 2.518 50 0 GFAAHN COc1ccc(NC(=O)CC(=O)N(C)[C@H](CN(C)C)c2ccccc2)c(OC)c1 ZINC000055042434 205141747 /nfs/dbraw/zinc/14/17/47/205141747.db2.gz JEBRVRNIJNCIGD-LJQANCHMSA-N 0 3 399.491 2.794 50 0 GFAAHN CN(C)C(=O)Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000056554790 205152461 /nfs/dbraw/zinc/15/24/61/205152461.db2.gz WOLCFWHSLHGMDX-IBGZPJMESA-N 0 3 380.492 2.713 50 0 GFAAHN COc1ccc2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000085877994 205130066 /nfs/dbraw/zinc/13/00/66/205130066.db2.gz DHWIYPVIRPQSNX-ZBFHGGJFSA-N 0 3 378.428 2.583 50 0 GFAAHN O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)NC1CCN(C2CC2)CC1 ZINC000058391392 205173999 /nfs/dbraw/zinc/17/39/99/205173999.db2.gz SHQUJGKLNRPCMX-CQSZACIVSA-N 0 3 378.467 2.717 50 0 GFAAHN CCNc1cc(N2CCN(C(=O)Nc3ccccc3OCC)CC2)nc(C)n1 ZINC000065362331 205230703 /nfs/dbraw/zinc/23/07/03/205230703.db2.gz NPJHFBNARAAJLJ-UHFFFAOYSA-N 0 3 384.484 2.970 50 0 GFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000067613119 205250768 /nfs/dbraw/zinc/25/07/68/205250768.db2.gz OUWMJBXILOKZFT-UHFFFAOYSA-N 0 3 387.434 2.626 50 0 GFAAHN CCCN1CCN(C[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)CC1 ZINC000067694647 205256416 /nfs/dbraw/zinc/25/64/16/205256416.db2.gz OVERTRPUXAPUEI-HSZRJFAPSA-N 0 3 387.568 2.691 50 0 GFAAHN Cc1cc(CNC[C@]2(O)CCCN(CCCc3ccccc3)C2=O)cnc1C ZINC000067947936 205268294 /nfs/dbraw/zinc/26/82/94/205268294.db2.gz KPFJNAZCYIOHEY-HSZRJFAPSA-N 0 3 381.520 2.774 50 0 GFAAHN Cc1ncc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(=O)[n-]1 ZINC000071439350 205284013 /nfs/dbraw/zinc/28/40/13/205284013.db2.gz LLWJZCZPVJSIJC-LJQANCHMSA-N 0 3 386.471 2.590 50 0 GFAAHN Cc1ncc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c(=O)[n-]1 ZINC000071439350 205284017 /nfs/dbraw/zinc/28/40/17/205284017.db2.gz LLWJZCZPVJSIJC-LJQANCHMSA-N 0 3 386.471 2.590 50 0 GFAAHN C[C@@H](CNC(=O)CCCNC(=O)OCc1ccccc1)N1CCC(C)CC1 ZINC000069923695 205277128 /nfs/dbraw/zinc/27/71/28/205277128.db2.gz GABVGWJAKLBVPW-SFHVURJKSA-N 0 3 375.513 2.930 50 0 GFAAHN O=C(CCCn1cccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072133217 205309501 /nfs/dbraw/zinc/30/95/01/205309501.db2.gz MQRZLKGRDBZHOD-KSEOMHKRSA-N 0 3 382.483 2.891 50 0 GFAAHN CCn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1=O ZINC000072140260 205309543 /nfs/dbraw/zinc/30/95/43/205309543.db2.gz BSVUFFUBVZWCCP-KSEOMHKRSA-N 0 3 377.488 2.571 50 0 GFAAHN CC(C)(C)c1ccc(CN2CCN(Cc3cc4n(n3)CCCNC4)CC2)cc1 ZINC000072153072 205313246 /nfs/dbraw/zinc/31/32/46/205313246.db2.gz GXKQKAKCDZZVQF-UHFFFAOYSA-N 0 3 381.568 2.992 50 0 GFAAHN CCN1CCC[C@@H]1CN1Cc2ccc(C(=O)NCc3nccs3)cc2C1=O ZINC000072448119 205352777 /nfs/dbraw/zinc/35/27/77/205352777.db2.gz QSSLQQJKQPBOSF-MRXNPFEDSA-N 0 3 384.505 2.513 50 0 GFAAHN C[C@H](C1CCN(C(=O)c2cc(-c3ccccc3)n(C)n2)CC1)N1CCOCC1 ZINC000072456867 205353250 /nfs/dbraw/zinc/35/32/50/205353250.db2.gz VAWFODJZHSWUGE-QGZVFWFLSA-N 0 3 382.508 2.660 50 0 GFAAHN Cn1c2ccccc2cc(CN2CCC3(CC2)Nc2ccccc2NC3=O)c1=O ZINC000082170861 205389243 /nfs/dbraw/zinc/38/92/43/205389243.db2.gz XJMROEYYQUDRMB-UHFFFAOYSA-N 0 3 388.471 2.937 50 0 GFAAHN CSCc1ccc(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)o1 ZINC000095500124 205470259 /nfs/dbraw/zinc/47/02/59/205470259.db2.gz WHKZNQHFUYPPNK-OAHLLOKOSA-N 0 3 376.526 2.921 50 0 GFAAHN CN(C)CCn1ncc(C(=O)NCC2(O)CCCCCC2)c1-c1ccccc1 ZINC000225474396 206051454 /nfs/dbraw/zinc/05/14/54/206051454.db2.gz OKDCRTPPEGMZMH-UHFFFAOYSA-N 0 3 384.524 2.927 50 0 GFAAHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCCOc1cc(Cl)cc(Cl)c1 ZINC000225671684 206065495 /nfs/dbraw/zinc/06/54/95/206065495.db2.gz NISVOVOKWOGNAV-HUUCEWRRSA-N 0 3 381.325 2.822 50 0 GFAAHN Cc1cc(S(=O)(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(Cl)cc1Cl ZINC000096099720 206116282 /nfs/dbraw/zinc/11/62/82/206116282.db2.gz KOSRKPZYXMXSNZ-ZDUSSCGKSA-N 0 3 393.336 2.522 50 0 GFAAHN CC(C)n1nc(CNCCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1 ZINC000261492378 206182897 /nfs/dbraw/zinc/18/28/97/206182897.db2.gz WOYVUDDZNLFJGE-UHFFFAOYSA-N 0 3 399.520 2.506 50 0 GFAAHN COc1ccc(CN2CCC3(CC[C@@H](CNS(=O)(=O)C(C)C)O3)CC2)cc1 ZINC000299757415 206185342 /nfs/dbraw/zinc/18/53/42/206185342.db2.gz HDBDEWRMCWHVIR-IBGZPJMESA-N 0 3 396.553 2.537 50 0 GFAAHN CCCCn1nccc1NC(=O)N1CCCC[C@@H]1CCN1CCN(C)CC1 ZINC000299767023 206186250 /nfs/dbraw/zinc/18/62/50/206186250.db2.gz ANJKIVUMDZUYFJ-GOSISDBHSA-N 0 3 376.549 2.707 50 0 GFAAHN CSc1nc(N)cc(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 ZINC000095525890 136181466 /nfs/dbraw/zinc/18/14/66/136181466.db2.gz ZRNVJTXIOBBCAS-UHFFFAOYSA-N 0 3 381.509 2.805 50 0 GFAAHN O=C(CCN1CCC[C@H](c2nnc3ccccn32)C1)N1CCc2ccccc2C1 ZINC000065470302 222132132 /nfs/dbraw/zinc/13/21/32/222132132.db2.gz OKTIAGRKSJHYST-FQEVSTJZSA-N 0 3 389.503 2.884 50 0 GFAAHN CCOc1ccccc1NC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000065363634 535527246 /nfs/dbraw/zinc/52/72/46/535527246.db2.gz BUAOEAGAGVUXOF-UHFFFAOYSA-N 0 3 384.484 2.604 50 0 GFAAHN CN(C)CCNC(=O)c1cccc(N2CCCN(Cc3ccc(F)cc3)C2=O)c1 ZINC000046079965 535891290 /nfs/dbraw/zinc/89/12/90/535891290.db2.gz WQXRZTYKGOUMFT-UHFFFAOYSA-N 0 3 398.482 2.949 50 0 GFAAHN COCCN1CC[C@H](CNS(=O)(=O)c2ccc(Cl)c(C)c2Cl)C1 ZINC000670452818 565723344 /nfs/dbraw/zinc/72/33/44/565723344.db2.gz YJGGAVRMKSXKBT-GFCCVEGCSA-N 0 3 381.325 2.548 50 0 GFAAHN O=C(c1ccsc1)N1CCC2(CCN(Cc3ccncc3)CC2)[C@@H](CO)C1 ZINC000097213260 570238270 /nfs/dbraw/zinc/23/82/70/570238270.db2.gz ZBXNJADDMZQZJB-LJQANCHMSA-N 0 3 385.533 2.880 50 0 GFAAHN CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc3c(c2)CC(C)(C)O3)C[C@H]1O ZINC000020204093 570247719 /nfs/dbraw/zinc/24/77/19/570247719.db2.gz FRCKIZFTWLYEKD-FGZHOGPDSA-N 0 3 395.547 2.905 50 0 GFAAHN O=c1cc(-c2ccncc2)nc(-c2ccc(C[N@H+]3CCC[C@H](CO)C3)cc2)[n-]1 ZINC000048445050 570251502 /nfs/dbraw/zinc/25/15/02/570251502.db2.gz DDAWRYHIRPPZGX-KRWDZBQOSA-N 0 3 376.460 2.703 50 0 GFAAHN O=c1cc(-c2ccncc2)nc(-c2ccc(C[N@@H+]3CCC[C@H](CO)C3)cc2)[n-]1 ZINC000048445050 570251503 /nfs/dbraw/zinc/25/15/03/570251503.db2.gz DDAWRYHIRPPZGX-KRWDZBQOSA-N 0 3 376.460 2.703 50 0 GFAAHN COc1ccc(-c2ncc(CN3CCN(C4CCCC4)[C@@H](CCO)C3)cn2)cc1 ZINC000020455158 570258541 /nfs/dbraw/zinc/25/85/41/570258541.db2.gz FZCUAIFMUVDLOT-NRFANRHFSA-N 0 3 396.535 2.963 50 0 GFAAHN O=C1C[C@@H](N2CCN(C3CCCCC3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100150312 570267735 /nfs/dbraw/zinc/26/77/35/570267735.db2.gz QHQNUURBBSFXLV-GOSISDBHSA-N 0 3 375.900 2.922 50 0 GFAAHN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012875805 570274755 /nfs/dbraw/zinc/27/47/55/570274755.db2.gz FJYRMQUUHNNYGN-MJGOQNOKSA-N 0 3 375.472 2.892 50 0 GFAAHN Cc1nn(C)c(Cl)c1CNC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000030653289 570311501 /nfs/dbraw/zinc/31/15/01/570311501.db2.gz FENBWOQOACEIOJ-UHFFFAOYSA-N 0 3 396.944 2.633 50 0 GFAAHN COc1ccc(OC)c(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000022851327 570331423 /nfs/dbraw/zinc/33/14/23/570331423.db2.gz XBKMPEYOPWNMFO-OAQYLSRUSA-N 0 3 384.520 2.815 50 0 GFAAHN CCN(CC)[C@H](Cn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O)c1ccccc1 ZINC000024943456 570369506 /nfs/dbraw/zinc/36/95/06/570369506.db2.gz TVVMLOAVVGBRJK-LJQANCHMSA-N 0 3 395.459 2.560 50 0 GFAAHN C[C@H]1CCCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)[C@H]1CN ZINC000237654801 570388276 /nfs/dbraw/zinc/38/82/76/570388276.db2.gz CKJOTKLGBKGPJD-JXFKEZNVSA-N 0 3 386.517 2.860 50 0 GFAAHN COc1ccc2nc(CCN(C)C(=O)CCN3Cc4ccccc4C3)[nH]c2c1 ZINC000222485026 570412308 /nfs/dbraw/zinc/41/23/08/570412308.db2.gz IRUWOQGQPWEYOV-UHFFFAOYSA-N 0 3 378.476 2.978 50 0 GFAAHN CN(Cc1ccc2c(c1)OCO2)Cc1cccc(OCCN2CCOCC2)c1 ZINC000222861747 570429161 /nfs/dbraw/zinc/42/91/61/570429161.db2.gz GCGXMSYLJHLRQS-UHFFFAOYSA-N 0 3 384.476 2.758 50 0 GFAAHN CCc1ccc([C@H](CNC(=O)CCN2C(=O)COc3ccccc32)N(C)C)cc1 ZINC000027596984 570437569 /nfs/dbraw/zinc/43/75/69/570437569.db2.gz JFMHUDNHXWRNBI-FQEVSTJZSA-N 0 3 395.503 2.784 50 0 GFAAHN O=C(CCN1CCC(c2nnc3ccccn32)CC1)Nc1ccc2c(c1)OCO2 ZINC000126625251 570455280 /nfs/dbraw/zinc/45/52/80/570455280.db2.gz COQOPAQARCKMPG-UHFFFAOYSA-N 0 3 393.447 2.666 50 0 GFAAHN COc1ccc(-n2cc(CNCCNC(C)=O)c(-c3cccc(F)c3)n2)cc1 ZINC000012594900 570688518 /nfs/dbraw/zinc/68/85/18/570688518.db2.gz JWMKHEJGAPSCPX-UHFFFAOYSA-N 0 3 382.439 2.913 50 0 GFAAHN O=C(NCCc1ccccn1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255933 570754746 /nfs/dbraw/zinc/75/47/46/570754746.db2.gz RQVHTDDYLOABOY-NRFANRHFSA-N 0 3 387.487 2.600 50 0 GFAAHN 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/nfs/dbraw/zinc/93/83/14/570938314.db2.gz INVDRUBTBJINNC-UHFFFAOYSA-N 0 3 389.503 2.697 50 0 GFAAHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CSCN1C(=O)c1ccccc1 ZINC000107329155 570972609 /nfs/dbraw/zinc/97/26/09/570972609.db2.gz PBWWVMDNMKXXHH-WOJBJXKFSA-N 0 3 395.528 2.592 50 0 GFAAHN CC(C)Oc1ccc(C(=O)NCC(=O)NCC(C)(C)N2CCCCC2)cc1 ZINC000007779024 571036637 /nfs/dbraw/zinc/03/66/37/571036637.db2.gz WVYUWNJZXAAUFY-UHFFFAOYSA-N 0 3 375.513 2.584 50 0 GFAAHN COCCN1CC[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000952983646 665011611 /nfs/dbraw/zinc/01/16/11/665011611.db2.gz WHZUDYQUIAZNNH-LBPRGKRZSA-N 0 3 381.325 2.582 50 0 GFAAHN CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCCN(C)Cc1ccccc1 ZINC000015773619 210168099 /nfs/dbraw/zinc/16/80/99/210168099.db2.gz AKLYEHOGZNYYBX-OAQYLSRUSA-N 0 3 379.504 2.993 50 0 GFAAHN COc1cccc(NC(=O)[C@@H](NC2CCN(C(C)=O)CC2)c2ccccc2)c1 ZINC000015501066 210158510 /nfs/dbraw/zinc/15/85/10/210158510.db2.gz QPRDOJNMGIEIQH-NRFANRHFSA-N 0 3 381.476 2.976 50 0 GFAAHN COC[C@H](C)N1CCC(Oc2cc(OC)ccc2C(=O)N2CCCC2)CC1 ZINC000015079871 210152326 /nfs/dbraw/zinc/15/23/26/210152326.db2.gz ZVTMZYPEQBUSJA-INIZCTEOSA-N 0 3 376.497 2.809 50 0 GFAAHN CN(CCc1ccccc1)C1(C(=O)N2CCC(O)CC2)Cc2ccccc2C1 ZINC000015062563 210146490 /nfs/dbraw/zinc/14/64/90/210146490.db2.gz JIZMLALNSDMTOO-UHFFFAOYSA-N 0 3 378.516 2.682 50 0 GFAAHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CNC[C@@H](C(=O)NCc2cccc(F)c2)C1 ZINC000014532404 210118768 /nfs/dbraw/zinc/11/87/68/210118768.db2.gz NNBTXAUFICTXFZ-RBUKOAKNSA-N 0 3 395.478 2.795 50 0 GFAAHN COc1ccc([C@@H](CNC(=O)Cc2ccc(N3CCCC3=O)cc2)N(C)C)cc1 ZINC000014237953 210112689 /nfs/dbraw/zinc/11/26/89/210112689.db2.gz SQOBMVYJXFXTSA-OAQYLSRUSA-N 0 3 395.503 2.784 50 0 GFAAHN C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012875799 210021127 /nfs/dbraw/zinc/02/11/27/210021127.db2.gz FJYRMQUUHNNYGN-HKUYNNGSSA-N 0 3 375.472 2.892 50 0 GFAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4cnc(C)nc4)C3)C2=O)c1 ZINC000012836575 210016943 /nfs/dbraw/zinc/01/69/43/210016943.db2.gz RNQDXFLZXCEVRT-QFIPXVFZSA-N 0 3 380.492 2.808 50 0 GFAAHN CCOc1ccc(C(=O)NCC(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000007990293 209758008 /nfs/dbraw/zinc/75/80/08/209758008.db2.gz CUFQPXCCRXBCLN-UHFFFAOYSA-N 0 3 395.503 2.596 50 0 GFAAHN COc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2)N(C)C)cc1 ZINC000002645135 209374068 /nfs/dbraw/zinc/37/40/68/209374068.db2.gz AYXKIYMOWIDONS-KRWDZBQOSA-N 0 3 388.464 2.754 50 0 GFAAHN COc1ccccc1N(O)C1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000002262713 209353966 /nfs/dbraw/zinc/35/39/66/209353966.db2.gz DPEIVCCRZOZFHN-CQSZACIVSA-N 0 3 391.221 2.985 50 0 aggregator GFAAHN C[C@@H](NC(=O)/C=C\c1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000096646107 209242278 /nfs/dbraw/zinc/24/22/78/209242278.db2.gz CKPFBSOZZVKQRU-SYGIOELKSA-N 0 3 391.515 2.985 50 0 GFAAHN COc1ccc(C)nc1-c1cccc(C(=O)NCCCN2CCC[C@H](O)C2)c1 ZINC000299762849 212032982 /nfs/dbraw/zinc/03/29/82/212032982.db2.gz CBBIENIQUZTOOD-IBGZPJMESA-N 0 3 383.492 2.642 50 0 GFAAHN Oc1cccc(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)c1 ZINC000096136027 211305539 /nfs/dbraw/zinc/30/55/39/211305539.db2.gz FJKYWANYKZECQR-UHFFFAOYSA-N 0 3 378.480 2.943 50 0 GFAAHN CC(=O)c1c(C)cc(C)c(CN2CCC(N[C@@H]3CCS(=O)(=O)C3)CC2)c1C ZINC000095962953 211288850 /nfs/dbraw/zinc/28/88/50/211288850.db2.gz YTSASOCIBPZGRZ-LJQANCHMSA-N 0 3 392.565 2.556 50 0 GFAAHN COc1cc(CN(C)Cc2cccnc2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095529997 211275412 /nfs/dbraw/zinc/27/54/12/211275412.db2.gz CIVQLGMWMSDFJT-FQEVSTJZSA-N 0 3 385.508 2.558 50 0 GFAAHN Cc1ccc(OCCS(=O)(=O)N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3)cc1 ZINC000095524207 211269233 /nfs/dbraw/zinc/26/92/33/211269233.db2.gz PZAMXTJPWPVYCF-RTBURBONSA-N 0 3 378.538 2.510 50 0 GFAAHN COc1cc(CN2CC(c3cccnc3)C2)ccc1OC[C@H](O)CN1CCCC1 ZINC000095516898 211263705 /nfs/dbraw/zinc/26/37/05/211263705.db2.gz WUZSZEWWWNBSGW-OAQYLSRUSA-N 0 3 397.519 2.525 50 0 GFAAHN C[C@H](CO)NC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000095496825 211251247 /nfs/dbraw/zinc/25/12/47/211251247.db2.gz ZLEUNTKEUZKCSP-GOSISDBHSA-N 0 3 382.504 2.883 50 0 GFAAHN Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)[nH]n1 ZINC000095476171 211247496 /nfs/dbraw/zinc/24/74/96/211247496.db2.gz BVMWJTFWZXQHSM-UHFFFAOYSA-N 0 3 392.507 2.821 50 0 GFAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(-c3ccccc3)nc1C)C2 ZINC000095354388 211222230 /nfs/dbraw/zinc/22/22/30/211222230.db2.gz GYRVEWXXZQVGKC-IEBWSBKVSA-N 0 3 380.492 2.635 50 0 GFAAHN OC[C@@]12CN(Cc3cc(F)ccc3-n3cccn3)C[C@@H]1c1ccccc1OC2 ZINC000095387561 211234535 /nfs/dbraw/zinc/23/45/35/211234535.db2.gz NRFLJBVTRVJTAQ-DENIHFKCSA-N 0 3 379.435 2.982 50 0 GFAAHN Cc1nc2ncccn2c1C(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccccc1)C2 ZINC000095376114 211229500 /nfs/dbraw/zinc/22/95/00/211229500.db2.gz WVKVOFYZVBBGDM-RBUKOAKNSA-N 0 3 375.476 2.774 50 0 GFAAHN COCCCN1CC2(CCC1=O)CCN(Cc1ccc3nsnc3c1)CC2 ZINC000091997945 211213025 /nfs/dbraw/zinc/21/30/25/211213025.db2.gz RTVDSJYLLTWXRU-UHFFFAOYSA-N 0 3 388.537 2.932 50 0 GFAAHN COc1ccccc1CN1C[C@H](c2nc(CC3CCN(C)CC3)no2)CCC1=O ZINC000091586622 211197255 /nfs/dbraw/zinc/19/72/55/211197255.db2.gz GVPCZBHFJOPHOE-GOSISDBHSA-N 0 3 398.507 2.869 50 0 GFAAHN COc1cccc(Cn2ncnc2-c2ccc(CN3CCN(C)CC3)cc2)c1 ZINC000091725607 211205247 /nfs/dbraw/zinc/20/52/47/211205247.db2.gz QQZFBXADBBBOCX-UHFFFAOYSA-N 0 3 377.492 2.749 50 0 GFAAHN COCCN(C)C[C@@H]1CN(C(=O)c2cccc(-c3ccc(C)cc3)c2)C[C@@H]1CO ZINC000091270195 211188151 /nfs/dbraw/zinc/18/81/51/211188151.db2.gz HRNCJSNFMYGEMT-DHIUTWEWSA-N 0 3 396.531 2.921 50 0 GFAAHN c1cn(-c2ccc(OC[C@@H]3CCCO3)cc2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072469180 211122704 /nfs/dbraw/zinc/12/27/04/211122704.db2.gz FAOHYMXKWATDQP-IBGZPJMESA-N 0 3 379.464 2.787 50 0 GFAAHN O=C(CCc1cc2n(n1)CCCNC2)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000072435462 211119337 /nfs/dbraw/zinc/11/93/37/211119337.db2.gz XLVKFKNRUGHEHO-UHFFFAOYSA-N 0 3 381.455 2.514 50 0 GFAAHN Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC(N4CCCC[C@@H]4C)C3)c12 ZINC000072432192 211118672 /nfs/dbraw/zinc/11/86/72/211118672.db2.gz GRBHTDFEHTYPBB-AWEZNQCLSA-N 0 3 377.496 2.797 50 0 GFAAHN CC(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000072296371 211084605 /nfs/dbraw/zinc/08/46/05/211084605.db2.gz OREKBYCWNCTTCY-LBPRGKRZSA-N 0 3 382.302 2.685 50 0 GFAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccc(F)cc3Cl)CC2)[C@H]1O ZINC000072161536 211077746 /nfs/dbraw/zinc/07/77/46/211077746.db2.gz FJAIQJOMACBDRV-UXHICEINSA-N 0 3 388.870 2.956 50 0 GFAAHN CN(Cc1cc(C(C)(C)C)n[nH]1)c1nc(-c2ccncc2)nc2c1CCNC2 ZINC000071707823 211052359 /nfs/dbraw/zinc/05/23/59/211052359.db2.gz IZFKFSLIVAWGKB-UHFFFAOYSA-N 0 3 377.496 2.841 50 0 GFAAHN O=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000071439951 211049391 /nfs/dbraw/zinc/04/93/91/211049391.db2.gz ILEOKZYYGBHKGP-IBGZPJMESA-N 0 3 389.455 2.825 50 0 GFAAHN OCCn1c2ccccc2nc1N1CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000067756494 211021290 /nfs/dbraw/zinc/02/12/90/211021290.db2.gz VZCRYRZCLWCONJ-UHFFFAOYSA-N 0 3 375.476 2.832 50 0 GFAAHN CCCN1CCCN(C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)CC1 ZINC000067833707 211022383 /nfs/dbraw/zinc/02/23/83/211022383.db2.gz YJKCPSNYGGPZLJ-UHFFFAOYSA-N 0 3 387.436 2.540 50 0 GFAAHN CCOC(=O)c1noc2ncnc(NC3CCN(Cc4ccccc4)CC3)c12 ZINC000020992236 210372648 /nfs/dbraw/zinc/37/26/48/210372648.db2.gz VTXXDUFGBAPCNH-UHFFFAOYSA-N 0 3 381.436 2.871 50 0 GFAAHN Cc1ncccc1C(=O)N1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000020999812 210375335 /nfs/dbraw/zinc/37/53/35/210375335.db2.gz HCRPPKDAOXUFSG-SFHVURJKSA-N 0 3 386.540 2.575 50 0 GFAAHN O[C@H]1[C@H](N2CCCOCC2)c2ccccc2C12CCN(c1ccccn1)CC2 ZINC000020782777 210361269 /nfs/dbraw/zinc/36/12/69/210361269.db2.gz FDYBKGAGMIPZNY-YADHBBJMSA-N 0 3 379.504 2.758 50 0 GFAAHN CC(=O)Nc1ccc(N2C(=O)C[C@H](NCCc3ccccc3Cl)C2=O)cc1 ZINC000019890007 210306049 /nfs/dbraw/zinc/30/60/49/210306049.db2.gz DZVWLWRPZDJQGJ-SFHVURJKSA-N 0 3 385.851 2.763 50 0 GFAAHN COc1ccc(N2C(=O)C[C@H](NC34CC5CC(CC(C5)C3)C4)C2=O)c(OC)c1 ZINC000019881075 210304450 /nfs/dbraw/zinc/30/44/50/210304450.db2.gz QDMQGUGANXXLCL-LEJIWSMMSA-N 0 3 384.476 2.894 50 0 GFAAHN OC1(Cc2ccccc2)CCN(c2nc(-c3ccncc3)nc3c2CNC3)CC1 ZINC000072155949 136167087 /nfs/dbraw/zinc/16/70/87/136167087.db2.gz BYSDBQPHONLEIJ-UHFFFAOYSA-N 0 3 387.487 2.716 50 0 GFAAHN Cc1cc(N2CCC3(CC(=O)N(CCCc4ccccc4)C3)CC2)nc(N)n1 ZINC000091933334 136177402 /nfs/dbraw/zinc/17/74/02/136177402.db2.gz RSOZYKCNECIYGS-UHFFFAOYSA-N 0 3 379.508 2.819 50 0 GFAAHN CCCCSc1nc(N)cc(N2CCC(N3CCN(CC)CC3)CC2)n1 ZINC000095374186 136178438 /nfs/dbraw/zinc/17/84/38/136178438.db2.gz VUANSIZXIUXXGD-UHFFFAOYSA-N 0 3 378.590 2.557 50 0 GFAAHN CSc1nc(N)cc(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 ZINC000095531070 136181825 /nfs/dbraw/zinc/18/18/25/136181825.db2.gz MDMGQWCVELYCQS-AWEZNQCLSA-N 0 3 381.509 2.805 50 0 GFAAHN O=C([O-])Cn1ccc([C@H]2CCCN(C3CC[NH+](Cc4ccccc4)CC3)C2)n1 ZINC000426580678 534509235 /nfs/dbraw/zinc/50/92/35/534509235.db2.gz GMUMVJJSJADZHA-IBGZPJMESA-N 0 3 382.508 2.812 50 0 GFAAHN CN1CCN(c2ncc(Cl)cc2C(F)(F)F)C[C@@]12CCNC(=O)CC2 ZINC000107416790 536427264 /nfs/dbraw/zinc/42/72/64/536427264.db2.gz ZBIWFRFVZJIKCG-OAHLLOKOSA-N 0 3 376.810 2.545 50 0 GFAAHN CCCS(=O)(=O)C(C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 ZINC000055259680 551172336 /nfs/dbraw/zinc/17/23/36/551172336.db2.gz BYJIFJHHWXXJQX-VXGBXAGGSA-N 0 3 376.316 2.710 50 0 GFAAHN OCC[C@H](NC1CCN([C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000655751687 566087209 /nfs/dbraw/zinc/08/72/09/566087209.db2.gz QEIQGZXHIWFRRT-QAPCUYQASA-N 0 3 383.330 2.716 50 0 GFAAHN CN1CCCN(c2ccc(CNC(=O)c3cc4cc(F)ccc4[nH]3)cn2)CC1 ZINC000048236551 570222105 /nfs/dbraw/zinc/22/21/05/570222105.db2.gz KRWADYRUKDJCFN-UHFFFAOYSA-N 0 3 381.455 2.774 50 0 GFAAHN CCc1ccc([C@H](CNC(=O)Cn2cc(C(N)=O)c3ccccc32)N(C)C)cc1 ZINC000048290659 570229220 /nfs/dbraw/zinc/22/92/20/570229220.db2.gz GFZGAXBFILGVJY-NRFANRHFSA-N 0 3 392.503 2.722 50 0 GFAAHN CCN1CCN([C@H](C)CNCc2c(C)nn(-c3ccc(F)cc3F)c2C)CC1 ZINC000048712896 570254231 /nfs/dbraw/zinc/25/42/31/570254231.db2.gz 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Cc1cccc(-c2ccc(C(=O)N3CCC[C@H](Cn4cc(CN)nn4)C3)o2)c1 ZINC000020599694 570269551 /nfs/dbraw/zinc/26/95/51/570269551.db2.gz WZAPNLGZRVESFI-INIZCTEOSA-N 0 3 379.464 2.858 50 0 GFAAHN O[C@@H]1CN(Cc2cccc(OCc3ccccc3)c2)CC[C@H]1N1CCOCC1 ZINC000020601093 570269969 /nfs/dbraw/zinc/26/99/69/570269969.db2.gz QDDXMHSJPNJRGA-DHIUTWEWSA-N 0 3 382.504 2.533 50 0 GFAAHN O=C(NC[C@@H]1CCN(Cc2ccccc2F)C1)N1CCC(Cn2ccnc2)CC1 ZINC000584902994 570270396 /nfs/dbraw/zinc/27/03/96/570270396.db2.gz UPXNWHIDTZWDJS-IBGZPJMESA-N 0 3 399.514 2.966 50 0 GFAAHN O=C1[C@@H]2CCCCN2C(=O)N1CCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000002183640 570277778 /nfs/dbraw/zinc/27/77/78/570277778.db2.gz OSRQWBNXNBEOSR-IBGZPJMESA-N 0 3 388.487 2.545 50 0 GFAAHN CN1C(C)(C)CC(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)CC1(C)C ZINC000000709248 570297071 /nfs/dbraw/zinc/29/70/71/570297071.db2.gz NECYUGMMKOYRHD-XOBRGWDASA-N 0 3 384.586 2.953 50 0 GFAAHN CCN1CCC[C@H]1CNCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O ZINC000022793347 570328159 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GFAAHN COc1ccc(C(=O)NC[C@H]2CCOC2)cc1OC1CCN(C(C)C)CC1 ZINC000095509443 571080710 /nfs/dbraw/zinc/08/07/10/571080710.db2.gz WXSIDBKTBWNGBI-MRXNPFEDSA-N 0 3 376.497 2.713 50 0 GFAAHN O=C(c1cc(Br)ccc1OC(F)F)N1CCN2CCC[C@H]2C1 ZINC000002789657 654438004 /nfs/dbraw/zinc/43/80/04/654438004.db2.gz QRYYYEGQDVYDTC-NSHDSACASA-N 0 3 375.213 2.971 50 0 GFAAHN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)N1CCC(n2cnnc2)CC1 ZINC000426662516 231250986 /nfs/dbraw/zinc/25/09/86/231250986.db2.gz VLWYEQLKYOGXEA-FQEVSTJZSA-N 0 3 382.512 2.852 50 0 GFAAHN C[C@@H](NC(=O)N1CCN(CC2CCCC2)CC1)c1nc(-c2cccnc2)no1 ZINC000426685243 231251511 /nfs/dbraw/zinc/25/15/11/231251511.db2.gz FAKLFGJKSXLRRU-OAHLLOKOSA-N 0 3 384.484 2.710 50 0 GFAAHN CN1CCN(CC2CCN(C(=O)NCCc3ccccc3Cl)CC2)CC1 ZINC000192162680 530071718 /nfs/dbraw/zinc/07/17/18/530071718.db2.gz PDOXLSRXBLBIRE-UHFFFAOYSA-N 0 3 378.948 2.552 50 0 GFAAHN CCOC(=O)C1=C(NC2CCN(Cc3ccccc3)CC2)C(=O)N(C(C)(C)C)C1 ZINC000001039911 212208633 /nfs/dbraw/zinc/20/86/33/212208633.db2.gz 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ZINC000012535854 221202366 /nfs/dbraw/zinc/20/23/66/221202366.db2.gz DHTBOVWBTMZEQG-INIZCTEOSA-N 0 3 389.544 2.562 50 0 GFAAHN COc1ccc(CN2C[C@@H]3C[C@@H](c4cnn(C)c4C)N4CCC[C@@]34C2=O)cc1 ZINC000012387325 221187610 /nfs/dbraw/zinc/18/76/10/221187610.db2.gz FGBIZNDTFGPMLO-XJABCFGWSA-N 0 3 380.492 2.675 50 0 GFAAHN CCOc1cc(CN[C@@H](CC)CO)ccc1Oc1nnnn1-c1ccccc1 ZINC000013729598 221285610 /nfs/dbraw/zinc/28/56/10/221285610.db2.gz WYVPVIDXGYPNAL-INIZCTEOSA-N 0 3 383.452 2.714 50 0 GFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccsc1)C2 ZINC000014743081 221316050 /nfs/dbraw/zinc/31/60/50/221316050.db2.gz FQQVOOZYXIBRNY-OAHLLOKOSA-N 0 3 390.578 2.801 50 0 GFAAHN O=C(Nc1ccc2c(c1)CCC2)[C@H]1CNC[C@@H](C(=O)NCc2cccs2)C1 ZINC000014745978 221316489 /nfs/dbraw/zinc/31/64/89/221316489.db2.gz NECFLGGFEPFHJL-DLBZAZTESA-N 0 3 383.517 2.717 50 0 GFAAHN COC(=O)c1ccc(CN2CCC(CCC(=O)NC[C@H]3CCCO3)CC2)cc1 ZINC000015072361 221331200 /nfs/dbraw/zinc/33/12/00/221331200.db2.gz ONDHTRVEEFRDNK-HXUWFJFHSA-N 0 3 388.508 2.761 50 0 GFAAHN COc1cccc(CNCCCSc2nnnn2-c2ccccc2)c1OC ZINC000016228196 221359621 /nfs/dbraw/zinc/35/96/21/221359621.db2.gz GHNPKQFXRKIDGL-UHFFFAOYSA-N 0 3 385.493 2.952 50 0 GFAAHN Cc1cc(N2CCO[C@H](C(=O)NCCc3ccncc3)C2)c2ccccc2n1 ZINC000072411273 136169665 /nfs/dbraw/zinc/16/96/65/136169665.db2.gz JPTDFGFUEXLSCP-NRFANRHFSA-N 0 3 376.460 2.502 50 0 GFAAHN c1cnc(N2CCC3(CCCN3Cc3cnc(N4CCCC4)nc3)CC2)nc1 ZINC000072426331 136170021 /nfs/dbraw/zinc/17/00/21/136170021.db2.gz HZKJPHVNKCTWDZ-UHFFFAOYSA-N 0 3 379.512 2.502 50 0 GFAAHN COc1ccc2[nH]c3c(c2c1)CN(c1nc(C)nc2c1CCN(C)CC2)CC3 ZINC000072480094 136171383 /nfs/dbraw/zinc/17/13/83/136171383.db2.gz JJWCIEPDOVNZKM-UHFFFAOYSA-N 0 3 377.492 2.868 50 0 GFAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)n1 ZINC000077134168 136171677 /nfs/dbraw/zinc/17/16/77/136171677.db2.gz IJVSURLWDCUAMR-UHFFFAOYSA-N 0 3 399.926 2.930 50 0 GFAAHN CN(C)c1cc(N2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cnn1 ZINC000206724417 136199326 /nfs/dbraw/zinc/19/93/26/136199326.db2.gz 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222118097 /nfs/dbraw/zinc/11/80/97/222118097.db2.gz CQHXIJFZMFCWTM-UHFFFAOYSA-N 0 3 391.471 2.889 50 0 GFAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000065362073 222124663 /nfs/dbraw/zinc/12/46/63/222124663.db2.gz OVQXLJVKDBTMEW-UHFFFAOYSA-N 0 3 393.413 2.832 50 0 GFAAHN c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3sc4c(c32)CCNC4)nc1 ZINC000065372692 222126192 /nfs/dbraw/zinc/12/61/92/222126192.db2.gz PIBVBWMDWRLLKQ-HNNXBMFYSA-N 0 3 381.505 2.918 50 0 GFAAHN COc1cccc([C@@H]2CCN(C3CCN(C(=O)c4ccncc4)CC3)C[C@H]2O)c1 ZINC000065535369 222133534 /nfs/dbraw/zinc/13/35/34/222133534.db2.gz QKZWPTUYBBDVHO-FCHUYYIVSA-N 0 3 395.503 2.545 50 0 GFAAHN COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000067601824 222150132 /nfs/dbraw/zinc/15/01/32/222150132.db2.gz KLXJQPKXQCAXNI-UHFFFAOYSA-N 0 3 376.478 2.969 50 0 GFAAHN CCNc1cc(N2CCN(C(=O)Nc3cc(C)ccc3OC)CC2)nc(C)n1 ZINC000067603750 222150507 /nfs/dbraw/zinc/15/05/07/222150507.db2.gz KRKAACVIKIBSPD-UHFFFAOYSA-N 0 3 384.484 2.888 50 0 GFAAHN Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000067629516 222152375 /nfs/dbraw/zinc/15/23/75/222152375.db2.gz PJBGTZSFNWWOFV-UHFFFAOYSA-N 0 3 395.507 2.503 50 0 GFAAHN COc1cccc(CN2CCC[C@@](O)(CN(C)Cc3ccccc3)C2=O)c1OC ZINC000067695512 222156360 /nfs/dbraw/zinc/15/63/60/222156360.db2.gz DKOIZMXACMFFFI-HSZRJFAPSA-N 0 3 398.503 2.689 50 0 GFAAHN Cc1cccc(CN2CCC(c3nn(C)c(=O)n3Cc3ccccc3)CC2)n1 ZINC000067774278 222160134 /nfs/dbraw/zinc/16/01/34/222160134.db2.gz WEFBWUYRYUJCTB-UHFFFAOYSA-N 0 3 377.492 2.713 50 0 GFAAHN C[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000067947787 222169858 /nfs/dbraw/zinc/16/98/58/222169858.db2.gz HHOCDJAOUAZHRN-GFCCVEGCSA-N 0 3 390.875 2.691 50 0 GFAAHN O=C(N1CCO[C@]2(C1)CNCCOC2)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000072140227 222210162 /nfs/dbraw/zinc/21/01/62/222210162.db2.gz DETSQHBZPQGMTK-FQEVSTJZSA-N 0 3 392.927 2.759 50 0 GFAAHN C[C@@H]1CN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CCN1C ZINC000072171232 222217064 /nfs/dbraw/zinc/21/70/64/222217064.db2.gz 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ZINC000079479399 222305571 /nfs/dbraw/zinc/30/55/71/222305571.db2.gz QKOMJWJWQGIBIT-GGAORHGYSA-N 0 3 391.515 2.987 50 0 GFAAHN CCn1c(CN(C)C)nnc1C1CCN(Cc2nc(C)n3ccccc23)CC1 ZINC000096164014 222394765 /nfs/dbraw/zinc/39/47/65/222394765.db2.gz HSVJIDFCHVTNNL-UHFFFAOYSA-N 0 3 381.528 2.695 50 0 GFAAHN Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(Cc2ccc3c(c2)OCO3)C1 ZINC000426423840 534686646 /nfs/dbraw/zinc/68/66/46/534686646.db2.gz YDDXSTDKVSTPTD-KRWDZBQOSA-N 0 3 383.496 2.519 50 0 GFAAHN CCNc1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nc(C)n1 ZINC000065364572 535522839 /nfs/dbraw/zinc/52/28/39/535522839.db2.gz CFTYHMDMWPSVPT-UHFFFAOYSA-N 0 3 377.851 2.972 50 0 GFAAHN CCCOc1c(CNCCN2CCOCC2)cc(Br)cc1OC ZINC000020968367 551116339 /nfs/dbraw/zinc/11/63/39/551116339.db2.gz BQEXJSUDGNLNPR-UHFFFAOYSA-N 0 3 387.318 2.668 50 0 GFAAHN C[C@@H](CNC(=O)c1ccc(F)cc1I)N1CCCC1 ZINC000048128711 551155782 /nfs/dbraw/zinc/15/57/82/551155782.db2.gz YAWKNMMZGDPIAJ-JTQLQIEISA-N 0 3 376.213 2.644 50 0 GFAAHN 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CC[C@H](CO)NCc1ccc(OCC(=O)N[C@H](C)c2ccccc2)c(OC)c1 ZINC000005027777 570541136 /nfs/dbraw/zinc/54/11/36/570541136.db2.gz AVRKSDIAESDLTH-VQIMIIECSA-N 0 3 386.492 2.812 50 0 GFAAHN Cc1nn([C@H](C)C(=O)NCCN2CCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799189 570599206 /nfs/dbraw/zinc/59/92/06/570599206.db2.gz URTXYBPOGMFDTD-CQSZACIVSA-N 0 3 384.505 2.693 50 0 GFAAHN CCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)CC1 ZINC000248161376 570721385 /nfs/dbraw/zinc/72/13/85/570721385.db2.gz LRJIQVVIBWKPJG-IBGZPJMESA-N 0 3 397.567 2.993 50 0 GFAAHN OCCN(Cc1ccccc1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000002818423 570721476 /nfs/dbraw/zinc/72/14/76/570721476.db2.gz AZAQEODUJOBDSQ-QGZVFWFLSA-N 0 3 380.282 2.683 50 0 GFAAHN Cc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc4c(c3)CCC4)C2)cc1 ZINC000014534298 570848177 /nfs/dbraw/zinc/84/81/77/570848177.db2.gz RQOHHKJPIJHICB-LEWJYISDSA-N 0 3 391.515 2.964 50 0 GFAAHN CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(C)o1)C2 ZINC000014536919 570848531 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C[C@@H]1C[C@@H](C)CN(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)C1 ZINC000065523082 222134096 /nfs/dbraw/zinc/13/40/96/222134096.db2.gz GONRLJUQFHLLBM-KURKYZTESA-N 0 3 376.520 2.929 50 0 GFAAHN CCOC(=O)C1C(CN2CCC(C)CC2)=NC(=O)N[C@@H]1c1cccc(F)c1 ZINC000067287227 222143414 /nfs/dbraw/zinc/14/34/14/222143414.db2.gz KBKMLECJCADAPR-GOSISDBHSA-N 0 3 375.444 2.729 50 0 GFAAHN O=C(C[C@@H]1COCCN1)NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000072132935 222210135 /nfs/dbraw/zinc/21/01/35/222210135.db2.gz ARQOUFLTNDZLBO-HSZRJFAPSA-N 0 3 393.531 2.813 50 0 GFAAHN O=C(NCc1ccccn1)[C@H]1CN(Cc2ccccc2-c2ccccc2)CCN1 ZINC000072171651 222216925 /nfs/dbraw/zinc/21/69/25/222216925.db2.gz ANKWJVYIWBBKQR-HSZRJFAPSA-N 0 3 386.499 2.839 50 0 GFAAHN Cc1c(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)[nH]nc1-c1ccccc1 ZINC000072420134 222257040 /nfs/dbraw/zinc/25/70/40/222257040.db2.gz OWEOKIFIQCMQHH-KRWDZBQOSA-N 0 3 382.508 2.958 50 0 GFAAHN Cc1c(C(=O)N2CCC([C@H](C)N3CCOCC3)CC2)n[nH]c1-c1ccccc1 ZINC000072420134 222257043 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O=C(c1cncc(Br)c1)N1CCCSC[C@@H]1CN1CCCC1 ZINC000079669193 222307084 /nfs/dbraw/zinc/30/70/84/222307084.db2.gz SPHSLJVJQMDJJW-HNNXBMFYSA-N 0 3 384.343 2.888 50 0 GFAAHN CCOc1ccccc1CCNC(=O)N1CCC(N2CCSCC2)CC1 ZINC000426429092 528718685 /nfs/dbraw/zinc/71/86/85/528718685.db2.gz RRJUPXAPHRWFEA-UHFFFAOYSA-N 0 3 377.554 2.851 50 0 GFAAHN CCc1cc(N2CCC(CCC(=O)NC[C@@H]3CCCN3CC)CC2)nc(C)n1 ZINC000095499592 536143991 /nfs/dbraw/zinc/14/39/91/536143991.db2.gz BRBLKRXYAWSYEC-FQEVSTJZSA-N 0 3 387.572 2.945 50 0 GFAAHN O=C(COc1ccc(Cl)cc1Cl)NCC1CCN([C@@H]2CCOC2)CC1 ZINC000575605275 564700301 /nfs/dbraw/zinc/70/03/01/564700301.db2.gz CIAZNSWEVSLJGX-OAHLLOKOSA-N 0 3 387.307 2.989 50 0 GFAAHN Cc1ccc(N2CCN(Cc3cccc(C(=O)NCCN(C)C)c3)CC2)cc1C ZINC000034668126 570292595 /nfs/dbraw/zinc/29/25/95/570292595.db2.gz CJYSKKNABLOSLK-UHFFFAOYSA-N 0 3 394.563 2.917 50 0 GFAAHN OCC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCN1CCc1ccccc1 ZINC000022913003 570334112 /nfs/dbraw/zinc/33/41/12/570334112.db2.gz UUHOGEVTXLMLMK-XMMPIXPASA-N 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/nfs/dbraw/zinc/66/83/71/570668371.db2.gz QLYMVCZFOYPABE-HSZRJFAPSA-N 0 3 385.552 2.994 50 0 GFAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)Cc2cccs2)CC1 ZINC000012585131 570685006 /nfs/dbraw/zinc/68/50/06/570685006.db2.gz RSPJQIWVFMFXKT-GOSISDBHSA-N 0 3 380.554 2.657 50 0 GFAAHN CC[C@@H](NCc1ccccc1OCCCN1CCN(C)CC1)c1ccnn1C ZINC000055369679 570692792 /nfs/dbraw/zinc/69/27/92/570692792.db2.gz VUBAJLFBQJROGR-HXUWFJFHSA-N 0 3 385.556 2.677 50 0 GFAAHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cccn3)nc2)N(C)C)cc1 ZINC000058264958 570723727 /nfs/dbraw/zinc/72/37/27/570723727.db2.gz FGOZJCBYBYPBOM-LJQANCHMSA-N 0 3 378.480 2.678 50 0 GFAAHN Cc1nc(NCCNC(=O)c2cccc3ccccc32)cc(N2CCOCC2)n1 ZINC000065362501 570759969 /nfs/dbraw/zinc/75/99/69/570759969.db2.gz DPXOSIZYKIOGIM-UHFFFAOYSA-N 0 3 391.475 2.617 50 0 GFAAHN Cc1cc(C)c(NC(=O)c2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c(C)n1 ZINC000065385915 570764031 /nfs/dbraw/zinc/76/40/31/570764031.db2.gz ABAKFIAEPBSPHR-IBGZPJMESA-N 0 3 380.492 2.956 50 0 GFAAHN CCc1ccc([C@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)N(C)C)cc1 ZINC000032733367 570788144 /nfs/dbraw/zinc/78/81/44/570788144.db2.gz ITHUSWYOIXEERF-FQEVSTJZSA-N 0 3 394.523 2.655 50 0 GFAAHN CN(C)Cc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000032795681 570815926 /nfs/dbraw/zinc/81/59/26/570815926.db2.gz SPYJIQIOKNRNCY-OAQYLSRUSA-N 0 3 391.515 2.906 50 0 GFAAHN Cc1cc2ncn(C[C@H](O)CN3CCCN(c4ccccn4)CC3)c2cc1C ZINC000183827288 570820108 /nfs/dbraw/zinc/82/01/08/570820108.db2.gz OTLUOAUMLKXYNA-LJQANCHMSA-N 0 3 379.508 2.621 50 0 GFAAHN COc1cccc(CN(CCN(C)C)C(=O)c2ccnc(OCC(F)F)c2)c1 ZINC000170611650 570867485 /nfs/dbraw/zinc/86/74/85/570867485.db2.gz ZAORKFMIIORJEW-UHFFFAOYSA-N 0 3 393.434 2.938 50 0 GFAAHN O=C1OCC[C@H]1N1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000252484289 570968513 /nfs/dbraw/zinc/96/85/13/570968513.db2.gz FTSGZPRKEAOGNE-GOSISDBHSA-N 0 3 397.441 2.607 50 0 GFAAHN COc1cccc(N2CCN(C3CCN(C(=O)c4c(C)noc4C)CC3)CC2)c1 ZINC000252490962 570973632 /nfs/dbraw/zinc/97/36/32/570973632.db2.gz LGPKJCKLBYEUMP-UHFFFAOYSA-N 0 3 398.507 2.727 50 0 GFAAHN O=C(CCCNC(=O)c1ccc(Cl)cc1)N1CCN(C2CCCC2)CC1 ZINC000045084107 570986785 /nfs/dbraw/zinc/98/67/85/570986785.db2.gz NBDZCXCQPLAVMK-UHFFFAOYSA-N 0 3 377.916 2.937 50 0 GFAAHN CC(C)Cc1ccc(CN2CCC[C@H](NC(=O)CCN3CCOCC3)C2)cc1 ZINC000015080719 210152183 /nfs/dbraw/zinc/15/21/83/210152183.db2.gz DPRQUSMETAAYPW-QFIPXVFZSA-N 0 3 387.568 2.688 50 0 GFAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@H](C)CSC)CC1 ZINC000014950977 210130992 /nfs/dbraw/zinc/13/09/92/210130992.db2.gz LJVABRPDKDOMFF-OAHLLOKOSA-N 0 3 396.553 2.666 50 0 GFAAHN CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](NCc1cccnc1)C2 ZINC000014755251 210126842 /nfs/dbraw/zinc/12/68/42/210126842.db2.gz ZRDPTCYMSAHQOD-GOSISDBHSA-N 0 3 381.524 2.817 50 0 GFAAHN Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H](NCc1cccnc1)C2 ZINC000014740348 210125053 /nfs/dbraw/zinc/12/50/53/210125053.db2.gz IDSGQXWDHMHNLW-QGZVFWFLSA-N 0 3 393.466 2.531 50 0 GFAAHN CCN1CCN(c2ccc(NC(=O)[C@@H]3COc4ccccc4O3)cc2C)CC1 ZINC000012528291 209969328 /nfs/dbraw/zinc/96/93/28/209969328.db2.gz DECOEHHBNIAUGI-NRFANRHFSA-N 0 3 381.476 2.915 50 0 GFAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000299788115 212039644 /nfs/dbraw/zinc/03/96/44/212039644.db2.gz RQOQTCQZKRHNLZ-RDJZCZTQSA-N 0 3 377.876 2.755 50 0 GFAAHN O=C1[N-]C(=O)C2(CC[NH+](CC(Cc3ccccc3)Cc3ccccc3)CC2)N1 ZINC000225422700 211897388 /nfs/dbraw/zinc/89/73/88/211897388.db2.gz JNGQFKFEHLQGCL-UHFFFAOYSA-N 0 3 377.488 2.762 50 0 GFAAHN CCc1ncc(CN2CCC3(CC2)CCN(Cc2ccoc2)C[C@@H]3CO)cn1 ZINC000097527795 211367026 /nfs/dbraw/zinc/36/70/26/211367026.db2.gz CVBPYJLKCVOCQF-HXUWFJFHSA-N 0 3 384.524 2.729 50 0 GFAAHN C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccc(-n2ccnc2)c1 ZINC000096007197 211294478 /nfs/dbraw/zinc/29/44/78/211294478.db2.gz CLEUNMAFXPTLEO-INIZCTEOSA-N 0 3 384.505 2.973 50 0 GFAAHN Cc1nncn1CCN1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000095524428 211270290 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CCOC(=O)N1CCC(NCc2cc3n(n2)CCN(C2CCCCC2)C3)CC1 ZINC000095375996 211228827 /nfs/dbraw/zinc/22/88/27/211228827.db2.gz NVQUJGNHQZFMNY-UHFFFAOYSA-N 0 3 389.544 2.742 50 0 GFAAHN COc1ccc([C@@H]2CN(C(=O)Cc3cc(C)no3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095370708 211228572 /nfs/dbraw/zinc/22/85/72/211228572.db2.gz QBKHWGACDDKOEL-KSEOMHKRSA-N 0 3 381.476 2.623 50 0 GFAAHN CCN1CC[C@]2(CN(Cc3cccc(OC(F)F)c3)CCN2C)CCC1=O ZINC000091873187 211210992 /nfs/dbraw/zinc/21/09/92/211210992.db2.gz YNBXFRZVRLKKGK-FQEVSTJZSA-N 0 3 381.467 2.807 50 0 GFAAHN CCN1CCCC[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccccn3)C2)CC1 ZINC000091694294 211202568 /nfs/dbraw/zinc/20/25/68/211202568.db2.gz VSSHIAFCGUCHJE-FQEVSTJZSA-N 0 3 398.551 2.687 50 0 GFAAHN Cc1oncc1S(=O)(=O)N1CCC2(CC1)C[C@H](c1ccccc1)CN(C)C2 ZINC000091595754 211197511 /nfs/dbraw/zinc/19/75/11/211197511.db2.gz LCTDFSFGIISESD-SFHVURJKSA-N 0 3 389.521 2.873 50 0 GFAAHN Cc1c2cc(F)ccc2[nH]c1CN1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091460020 211192680 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NC(=O)[C@H]1CCCN(Cc2cccc(C(=O)Nc3ccc4c[nH]nc4c3)c2)C1 ZINC000067773329 211020781 /nfs/dbraw/zinc/02/07/81/211020781.db2.gz PYBZYRPWPKPPMT-KRWDZBQOSA-N 0 3 377.448 2.513 50 0 GFAAHN Cc1nc2ncccn2c1C(=O)N(C)[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000067742648 211018542 /nfs/dbraw/zinc/01/85/42/211018542.db2.gz VTDQIVSYQQWAFA-LJQANCHMSA-N 0 3 389.503 2.742 50 0 GFAAHN O=C(CCN1Cc2ccccc2C1=O)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000067674929 211015467 /nfs/dbraw/zinc/01/54/67/211015467.db2.gz VRNRBPUVRHNYNJ-OAQYLSRUSA-N 0 3 391.515 2.856 50 0 GFAAHN O=C(NCCc1cnc[nH]1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1 ZINC000067672933 211015088 /nfs/dbraw/zinc/01/50/88/211015088.db2.gz LXXYHMTYOMPLRV-UHFFFAOYSA-N 0 3 393.491 2.825 50 0 GFAAHN O=C(Cn1nc(-c2ccccc2)oc1=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000052840124 210870949 /nfs/dbraw/zinc/87/09/49/210870949.db2.gz YHNNMVPFLGBTHY-INIZCTEOSA-N 0 3 398.488 2.518 50 0 GFAAHN CN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCCN21)Cc1ccccc1 ZINC000021647091 210387816 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ZINC000004299457 570366087 /nfs/dbraw/zinc/36/60/87/570366087.db2.gz QEHZWRGTPHJTNF-CQSZACIVSA-N 0 3 379.386 2.513 50 0 GFAAHN COC[C@H](C)N1CCC(Oc2cccc(C(=O)NCc3cccnc3)c2)CC1 ZINC000023582053 570366495 /nfs/dbraw/zinc/36/64/95/570366495.db2.gz PVASGPNSVLGNTI-KRWDZBQOSA-N 0 3 383.492 2.890 50 0 GFAAHN CCc1ccc(Oc2nccnc2N2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000033288324 570405915 /nfs/dbraw/zinc/40/59/15/570405915.db2.gz YFDFNBGBFCCFKO-UHFFFAOYSA-N 0 3 397.523 2.726 50 0 GFAAHN Cc1ccn2ncc(C(=O)NCC3(N[C@H](C)c4ccccc4)CCOCC3)c2n1 ZINC000095959163 570432599 /nfs/dbraw/zinc/43/25/99/570432599.db2.gz WVGHFLOHROLWDX-QGZVFWFLSA-N 0 3 393.491 2.668 50 0 GFAAHN COc1cc(OC)c(CN2CCN(C3CCCC3)[C@H](CCO)C2)c(OC)c1 ZINC000039478411 570592078 /nfs/dbraw/zinc/59/20/78/570592078.db2.gz MXRPTZMSHUGZCI-QGZVFWFLSA-N 0 3 378.513 2.524 50 0 GFAAHN Cc1cccc(C)c1Oc1ncccc1CNC(=O)C[C@@H]1CN(C)CCN1C ZINC000039533074 570593520 /nfs/dbraw/zinc/59/35/20/570593520.db2.gz CVTGOJIZUOJODF-LJQANCHMSA-N 0 3 382.508 2.743 50 0 GFAAHN COc1ccc(C(=O)NCc2cnc(C)cn2)cc1OC1CCN(C(C)C)CC1 ZINC000012092091 570607763 /nfs/dbraw/zinc/60/77/63/570607763.db2.gz QYCUZRLMOVTECT-UHFFFAOYSA-N 0 3 398.507 2.975 50 0 GFAAHN CCN(CCN(C)C)C(=O)c1cnn(-c2nccc(-c3ccco3)n2)c1C1CC1 ZINC000012158998 570618973 /nfs/dbraw/zinc/61/89/73/570618973.db2.gz WZEQPZZALBQGAS-UHFFFAOYSA-N 0 3 394.479 2.823 50 0 GFAAHN Cc1ccc2c(c1)-c1c(cnn1CC(=O)NCCN(C)Cc1ccccc1)CO2 ZINC000006819723 570622071 /nfs/dbraw/zinc/62/20/71/570622071.db2.gz GOUQIMVVNITRIC-UHFFFAOYSA-N 0 3 390.487 2.999 50 0 GFAAHN Cc1nnc(C(=O)Nc2ccc(C(=O)NCCN3CCCCCC3)cc2)s1 ZINC000033011047 570623186 /nfs/dbraw/zinc/62/31/86/570623186.db2.gz UANBBZYJCUDXJS-UHFFFAOYSA-N 0 3 387.509 2.705 50 0 GFAAHN Cc1ccc(C)c([C@H](C)NC(=O)CN2CCN(C3CCSCC3)CC2)c1 ZINC000244601848 570694024 /nfs/dbraw/zinc/69/40/24/570694024.db2.gz DSUHHQHVCUPORE-SFHVURJKSA-N 0 3 375.582 2.994 50 0 GFAAHN CN(C)[C@@H]1CCN(C(=O)c2cccc(F)c2)C[C@@H]1c1nc(-c2ccncc2)no1 ZINC000097940978 570742965 /nfs/dbraw/zinc/74/29/65/570742965.db2.gz MLYUFHCXOXVJNL-ZWKOTPCHSA-N 0 3 395.438 2.831 50 0 GFAAHN CCN1CCN(Cc2ccc(NC(=O)c3cc(CN4CCCC4)on3)cc2)CC1 ZINC000022937530 570882472 /nfs/dbraw/zinc/88/24/72/570882472.db2.gz MIYNYFJPAQJEEN-UHFFFAOYSA-N 0 3 397.523 2.660 50 0 GFAAHN CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC000124074212 570882755 /nfs/dbraw/zinc/88/27/55/570882755.db2.gz FKMNPNKEQZZQML-SFHVURJKSA-N 0 3 387.505 2.876 50 0 GFAAHN CCOc1cc(CN[C@H]2C[C@H]2C)cc(Br)c1OCC(=O)N(C)C ZINC000105437939 570924908 /nfs/dbraw/zinc/92/49/08/570924908.db2.gz ZTPWPRKJFHXGFA-RISCZKNCSA-N 0 3 385.302 2.813 50 0 GFAAHN C[C@@H](CCN1CCN(c2ccccc2)CC1)NC(=O)COc1ccccc1F ZINC000032915987 570926989 /nfs/dbraw/zinc/92/69/89/570926989.db2.gz MTRQYWOVFGRYRM-SFHVURJKSA-N 0 3 385.483 2.922 50 0 GFAAHN O=C(CNC(=O)c1ccccc1Cl)NCCCN1CCc2ccccc2C1 ZINC000047493104 570959601 /nfs/dbraw/zinc/95/96/01/570959601.db2.gz JKRBSKQTKCRRND-UHFFFAOYSA-N 0 3 385.895 2.634 50 0 GFAAHN COc1ccc2occ([C@H]3N=C(Nc4ccc(F)cc4)NC(=N)N3)c(=O)c2c1 ZINC000019330028 570975135 /nfs/dbraw/zinc/97/51/35/570975135.db2.gz GDMFXCWMPNLMSD-QGZVFWFLSA-N 0 3 381.367 2.535 50 0 GFAAHN CN(Cc1ccccc1)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)C(C)(C)N ZINC000091305959 571002805 /nfs/dbraw/zinc/00/28/05/571002805.db2.gz UODZZNJOVITTJC-QGZVFWFLSA-N 0 3 381.524 2.980 50 0 GFAAHN Cc1noc(C)c1CN1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000091779267 571030307 /nfs/dbraw/zinc/03/03/07/571030307.db2.gz MHJUCGJUQGTWSB-NRFANRHFSA-N 0 3 383.496 2.795 50 0 GFAAHN Cc1n[nH]c(C)c1CCN1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000091808366 571031330 /nfs/dbraw/zinc/03/13/30/571031330.db2.gz VVFADFFVTTZMIN-QFIPXVFZSA-N 0 3 381.524 2.869 50 0 GFAAHN CN1C[C@H](c2ccccc2)CC2(CCN(S(=O)(=O)N3CCCC3)CC2)C1 ZINC000092038694 571042170 /nfs/dbraw/zinc/04/21/70/571042170.db2.gz WXKUKAXTNFBUCV-LJQANCHMSA-N 0 3 377.554 2.529 50 0 GFAAHN [NH3+]C[C@@H]1CCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[n-]c2=O)C1 ZINC000092099210 571044998 /nfs/dbraw/zinc/04/49/98/571044998.db2.gz JJYLIPZSEGSUIC-JTQLQIEISA-N 0 3 381.263 2.501 50 0 GFAAHN c1ccc(-c2ncc(CN3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cn2)nc1 ZINC000095372502 571061753 /nfs/dbraw/zinc/06/17/53/571061753.db2.gz BQLQATDAIXKPNC-YLJYHZDGSA-N 0 3 379.508 2.614 50 0 GFAAHN COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCSCC1 ZINC000002364154 654435992 /nfs/dbraw/zinc/43/59/92/654435992.db2.gz IKQKOBGGWLCDJT-UHFFFAOYSA-N 0 3 381.885 2.985 50 0 GFAAHN O=C(NCCCN1CCC[C@H](O)C1)N1CCC(Cc2ccccc2F)CC1 ZINC000426427920 231218977 /nfs/dbraw/zinc/21/89/77/231218977.db2.gz IXWGRKWHVVBPLI-IBGZPJMESA-N 0 3 377.504 2.637 50 0 GFAAHN C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2C(=O)C(F)(F)F)CCN1Cc1ccccc1 ZINC000225402191 212115170 /nfs/dbraw/zinc/11/51/70/212115170.db2.gz PZYWCRGXMSPFJE-HYVNUMGLSA-N 0 3 397.441 2.709 50 0 GFAAHN Cc1nn(CCCC(=O)NCCN2CCCC2)c(=O)c2c3ccccc3sc21 ZINC000006799458 220963072 /nfs/dbraw/zinc/96/30/72/220963072.db2.gz VWDRETFYWKERTK-UHFFFAOYSA-N 0 3 398.532 2.912 50 0 GFAAHN CCN(CC)[C@H](CNC(=O)c1nn(C)c(=O)c2ccccc21)c1ccccc1 ZINC000007686382 221005259 /nfs/dbraw/zinc/00/52/59/221005259.db2.gz SQQXSLLTCNISAD-LJQANCHMSA-N 0 3 378.476 2.746 50 0 GFAAHN Cn1cccc1[C@H]1CCCN1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000007856777 221014170 /nfs/dbraw/zinc/01/41/70/221014170.db2.gz JAWDMNJAWXWGOC-JOCHJYFZSA-N 0 3 380.536 2.943 50 0 GFAAHN O=C(Cc1ccc(N2CCCC2=O)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000008326598 221037201 /nfs/dbraw/zinc/03/72/01/221037201.db2.gz FLURVOJZXDQBBP-HXUWFJFHSA-N 0 3 377.488 2.747 50 0 GFAAHN CC(C)(C)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000007985483 221019124 /nfs/dbraw/zinc/01/91/24/221019124.db2.gz YFCUWVGAGJJLAF-UHFFFAOYSA-N 0 3 387.933 2.841 50 0 GFAAHN COC(=O)c1c(OCc2ccncc2)cc(=O)n2c1CCN(CCC(C)C)CC2 ZINC000011788547 221126387 /nfs/dbraw/zinc/12/63/87/221126387.db2.gz SEUORJDNAPVGNX-UHFFFAOYSA-N 0 3 399.491 2.513 50 0 GFAAHN COCCN(C)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000011873847 221133784 /nfs/dbraw/zinc/13/37/84/221133784.db2.gz 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221196888 /nfs/dbraw/zinc/19/68/88/221196888.db2.gz HEQJYALVHBJGSP-UHFFFAOYSA-N 0 3 396.535 2.759 50 0 GFAAHN CC(C)Cc1ccc(CN2CCC[C@@H](NC(=O)CCN3CCCC3=O)C2)cc1 ZINC000012590935 221211958 /nfs/dbraw/zinc/21/19/58/221211958.db2.gz KVMSHSGVGUKGBJ-OAQYLSRUSA-N 0 3 385.552 2.978 50 0 GFAAHN O=C(CCC1CCN(Cc2cccn2-c2ncccn2)CC1)NC[C@@H]1CCCO1 ZINC000012595072 221212715 /nfs/dbraw/zinc/21/27/15/221212715.db2.gz SKHNTDCWMYGVSX-FQEVSTJZSA-N 0 3 397.523 2.555 50 0 GFAAHN O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CCN2CCC[C@@H]2C1 ZINC000012594357 221213085 /nfs/dbraw/zinc/21/30/85/221213085.db2.gz XREUYGJKRYHPKR-CYBMUJFWSA-N 0 3 379.819 2.966 50 0 GFAAHN O=C(CCn1cnc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012606785 221214751 /nfs/dbraw/zinc/21/47/51/221214751.db2.gz NETHIVBQPZSDFK-UHFFFAOYSA-N 0 3 390.487 2.567 50 0 GFAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cn2cncn2)cc1 ZINC000012761099 221228210 /nfs/dbraw/zinc/22/82/10/221228210.db2.gz BYFFDBOYLOHGQS-OAQYLSRUSA-N 0 3 375.476 2.893 50 0 GFAAHN C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012875789 221239828 /nfs/dbraw/zinc/23/98/28/221239828.db2.gz FJYRMQUUHNNYGN-IEBWSBKVSA-N 0 3 375.472 2.892 50 0 GFAAHN CC(=O)Oc1ccc(-n2c(O)c3onc(C=Cc4ccccc4)c3c2O)cc1 ZINC000013692627 221282618 /nfs/dbraw/zinc/28/26/18/221282618.db2.gz DIHZOXZKSINMGQ-KASMDDHJSA-N 0 3 376.368 2.570 50 0 GFAAHN CN(C)C(=O)C1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000014238419 221305914 /nfs/dbraw/zinc/30/59/14/221305914.db2.gz FBTHMEOPKXRUIE-CQSZACIVSA-N 0 3 375.296 2.533 50 0 GFAAHN CC(=O)c1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000018223084 221391434 /nfs/dbraw/zinc/39/14/34/221391434.db2.gz ZOSPMJLHZSXAQH-FQEVSTJZSA-N 0 3 375.428 2.835 50 0 GFAAHN CCOC(=O)c1c(C)c(CCC(=O)NCCN2CCCCCC2)n(C)c1C ZINC000064970586 222091303 /nfs/dbraw/zinc/09/13/03/222091303.db2.gz OIWBSXAQYCYMNR-UHFFFAOYSA-N 0 3 377.529 2.743 50 0 GFAAHN CCOc1ccc([C@H]2NC(=O)NC(CN3CCCCCC3)=C2C(=O)OC)cc1 ZINC000067287175 222143458 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529897500 /nfs/dbraw/zinc/89/75/00/529897500.db2.gz SIQOJBNLKINBHD-UHFFFAOYSA-N 0 3 383.540 2.874 50 0 GFAAHN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000008312662 221035559 /nfs/dbraw/zinc/03/55/59/221035559.db2.gz RFLRKIXUFQECRF-KGLIPLIRSA-N 0 3 395.550 2.985 50 0 GFAAHN COc1ccc(-c2n[nH]cc2CN2CCCC[C@@H]2CCNC(C)=O)c(OC)c1 ZINC000011664812 221120477 /nfs/dbraw/zinc/12/04/77/221120477.db2.gz WUAYRCCYALLVTC-QGZVFWFLSA-N 0 3 386.496 2.975 50 0 GFAAHN COCCNC(=O)c1ccc(OC)cc1OC1CCN(CCCSC)CC1 ZINC000012050276 221144589 /nfs/dbraw/zinc/14/45/89/221144589.db2.gz UOLBDNQMPYITKH-UHFFFAOYSA-N 0 3 396.553 2.668 50 0 GFAAHN O=C(c1cn(CCN2CCCCC2)nn1)N1CCC(OCc2ccccc2)CC1 ZINC000012299270 221175523 /nfs/dbraw/zinc/17/55/23/221175523.db2.gz OXPQIXUXZBODSH-UHFFFAOYSA-N 0 3 397.523 2.585 50 0 GFAAHN COc1ccc(CN2CCC[C@@H](n3cc(C(=O)N4CCCC4)nn3)C2)cc1C ZINC000012330430 221182204 /nfs/dbraw/zinc/18/22/04/221182204.db2.gz PHDNFCOHQQIUEU-GOSISDBHSA-N 0 3 383.496 2.668 50 0 GFAAHN CC(C)c1ccc(CN2CCC[C@H](n3cc(C(=O)N4CCOCC4)nn3)C2)cc1 ZINC000012326034 221182635 /nfs/dbraw/zinc/18/26/35/221182635.db2.gz CXLSRCORCKDVBN-FQEVSTJZSA-N 0 3 397.523 2.711 50 0 GFAAHN COc1cccc(CN(C)CCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)c1 ZINC000012911217 221244964 /nfs/dbraw/zinc/24/49/64/221244964.db2.gz BNJAAULOCFGQJH-UHFFFAOYSA-N 0 3 399.447 2.637 50 0 GFAAHN CC(C)n1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2c1=O ZINC000014171777 221302539 /nfs/dbraw/zinc/30/25/39/221302539.db2.gz BWUKYEQKHQSGMY-SFHVURJKSA-N 0 3 390.487 2.982 50 0 GFAAHN Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CC[C@@H](NCc1ccncc1)C2 ZINC000014746219 221316280 /nfs/dbraw/zinc/31/62/80/221316280.db2.gz QLHHACWCQUWKPO-GOSISDBHSA-N 0 3 393.466 2.531 50 0 GFAAHN CC(C)[C@H]1NC(=O)[C@@H]2C[C@H](NCc3sc4ccccc4c3Cl)CN2C1=O ZINC000014744693 221316340 /nfs/dbraw/zinc/31/63/40/221316340.db2.gz ZGTXIKLSKJBLHG-PLQHRBFRSA-N 0 3 391.924 2.768 50 0 GFAAHN O=C(NCCN1CCCCCC1)c1nc(-c2ccnc(N3CCCCC3)c2)no1 ZINC000065245957 136161735 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Cn1ncc2cc(NC(=O)c3cccc(CN4CCCN(C)CC4)c3)ccc21 ZINC000067541499 222148469 /nfs/dbraw/zinc/14/84/69/222148469.db2.gz HUSBUCVWCKLMND-UHFFFAOYSA-N 0 3 377.492 2.963 50 0 GFAAHN Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000067620871 222152070 /nfs/dbraw/zinc/15/20/70/222152070.db2.gz RROFJMPXRXWLLM-UHFFFAOYSA-N 0 3 379.508 2.964 50 0 GFAAHN O=C(CCN1Cc2ccccc2C1=O)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000067674928 222153324 /nfs/dbraw/zinc/15/33/24/222153324.db2.gz VRNRBPUVRHNYNJ-NRFANRHFSA-N 0 3 391.515 2.856 50 0 GFAAHN CC(C)[C@H]1CN(CCC(=O)N2CCCC2)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071551909 222185404 /nfs/dbraw/zinc/18/54/04/222185404.db2.gz LILJLPLNEICGEF-HXUWFJFHSA-N 0 3 389.515 2.897 50 0 GFAAHN CC(=O)NCCCC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072129280 222208340 /nfs/dbraw/zinc/20/83/40/222208340.db2.gz HSJCLOFLPUNDNE-FQEVSTJZSA-N 0 3 377.504 2.801 50 0 GFAAHN CC(C)[C@H](CO)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072125426 222209655 /nfs/dbraw/zinc/20/96/55/222209655.db2.gz 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GFAAHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(n3ccnc3)CC2)CC1 ZINC000095955978 222364010 /nfs/dbraw/zinc/36/40/10/222364010.db2.gz YKFVXKOCCXQHPG-UHFFFAOYSA-N 0 3 395.551 2.563 50 0 GFAAHN CC1CCN(CCNC(=O)Nc2ccncc2I)CC1 ZINC000095996427 222368570 /nfs/dbraw/zinc/36/85/70/222368570.db2.gz CBCCRXIMTWKXDB-UHFFFAOYSA-N 0 3 388.253 2.540 50 0 GFAAHN CCN1CC[C@@H](NC(=O)c2csc3c2CCN(Cc2c(C)noc2C)C3)C1 ZINC000426465295 527798811 /nfs/dbraw/zinc/79/88/11/527798811.db2.gz RBGQWBWRXQDCLX-OAHLLOKOSA-N 0 3 388.537 2.735 50 0 GFAAHN CCOC(C(=O)NCC1(O)CCN(C)CC1)(c1ccccc1)c1ccccc1 ZINC000426490516 528403171 /nfs/dbraw/zinc/40/31/71/528403171.db2.gz PUCKLSFQNCFIBW-UHFFFAOYSA-N 0 3 382.504 2.540 50 0 GFAAHN O=S(=O)([N-]CC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc(Cl)s1 ZINC000225572913 553059381 /nfs/dbraw/zinc/05/93/81/553059381.db2.gz GSZTWBZFFMIRHZ-GFCCVEGCSA-N 0 3 380.988 2.897 50 0 GFAAHN Cc1nn(-c2ccc(Br)cc2)c(C)c1CNCC1(O)CCOCC1 ZINC000237697182 553080341 /nfs/dbraw/zinc/08/03/41/553080341.db2.gz 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