smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2 ZINC000000608012 525549027 /nfs/dbraw/zinc/54/90/27/525549027.db2.gz QOJDAWZHQLNKDR-MRXNPFEDSA-N 0 3 354.519 5.172 40 0 in-man FKABHN Cc1cc(Nc2ccc3c(c2)OCO3)c2cc(C3CCCCC3)ccc2n1 ZINC000001590485 570502646 /nfs/dbraw/zinc/50/26/46/570502646.db2.gz KZWUXBRFSWGVGS-UHFFFAOYSA-N 0 3 360.457 6.063 40 0 FKABHN O=C(CCN1CCCCC1)c1cc(-c2ccccc2)oc1-c1ccccc1 ZINC000001644120 204015353 /nfs/dbraw/zinc/01/53/53/204015353.db2.gz VYBXSGYQJZXXNH-UHFFFAOYSA-N 0 3 359.469 5.672 40 0 FKABHN Cc1c2ccccn2c(-c2ccc(OCCN(C)C)cc2)c1-c1ccccc1 ZINC000001650441 204015712 /nfs/dbraw/zinc/01/57/12/204015712.db2.gz AGCVPOVKAQCEKZ-UHFFFAOYSA-N 0 3 370.496 5.522 40 0 FKABHN O[C@H](c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001665688 570503944 /nfs/dbraw/zinc/50/39/44/570503944.db2.gz KBMSHLIYFNGBTH-RBUKOAKNSA-N 0 3 350.289 5.254 40 0 FKABHN O[C@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001665689 210365041 /nfs/dbraw/zinc/36/50/41/210365041.db2.gz KBMSHLIYFNGBTH-RTBURBONSA-N 0 3 350.289 5.254 40 0 FKABHN O[C@@H](c1ccc(Cl)cc1)[C@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001665690 210365883 /nfs/dbraw/zinc/36/58/83/210365883.db2.gz KBMSHLIYFNGBTH-OALUTQOASA-N 0 3 350.289 5.254 40 0 FKABHN O[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)N1CCCCC1 ZINC000001665691 210365723 /nfs/dbraw/zinc/36/57/23/210365723.db2.gz KBMSHLIYFNGBTH-MOPGFXCFSA-N 0 3 350.289 5.254 40 0 FKABHN CCN(CC)Cc1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001665701 204016513 /nfs/dbraw/zinc/01/65/13/204016513.db2.gz PAKFQTNZLCWULY-XMMPIXPASA-N 0 3 372.512 5.565 40 0 FKABHN CCCC[C@@H](CC)C(=O)[C@@](CCN(C)C)(c1ccccc1)c1ccccn1 ZINC000001675622 204016092 /nfs/dbraw/zinc/01/60/92/204016092.db2.gz UGVNESXSYFEYCH-YKSBVNFPSA-N 0 3 366.549 5.105 40 0 FKABHN CCCC[C@H](CC)C(=O)[C@@](CCN(C)C)(c1ccccc1)c1ccccn1 ZINC000001675623 570504559 /nfs/dbraw/zinc/50/45/59/570504559.db2.gz UGVNESXSYFEYCH-RDPSFJRHSA-N 0 3 366.549 5.105 40 0 FKABHN CCCC[C@@H](CC)C(=O)[C@](CCN(C)C)(c1ccccc1)c1ccccn1 ZINC000001675624 210366001 /nfs/dbraw/zinc/36/60/01/210366001.db2.gz UGVNESXSYFEYCH-HYBUGGRVSA-N 0 3 366.549 5.105 40 0 FKABHN CCCC[C@H](CC)C(=O)[C@](CCN(C)C)(c1ccccc1)c1ccccn1 ZINC000001675625 570504304 /nfs/dbraw/zinc/50/43/04/570504304.db2.gz UGVNESXSYFEYCH-GBXCKJPGSA-N 0 3 366.549 5.105 40 0 FKABHN Brc1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000001700107 570504692 /nfs/dbraw/zinc/50/46/92/570504692.db2.gz PESQPPCLVABNSP-UHFFFAOYSA-N 0 3 366.302 5.652 40 0 FKABHN Cc1cccc2c1nc1c(c2N2CCN(c3ccccc3)CC2)CCCCC1 ZINC000001718140 132382407 /nfs/dbraw/zinc/38/24/07/132382407.db2.gz ICNGMTAVAMARSV-UHFFFAOYSA-N 0 3 371.528 5.139 40 0 FKABHN CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc32)ccc1OC ZINC000001724568 204018430 /nfs/dbraw/zinc/01/84/30/204018430.db2.gz IWVGXLGDOQCARJ-UHFFFAOYSA-N 0 3 369.896 5.482 40 0 FKABHN CN(C)CCSCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001726497 535919508 /nfs/dbraw/zinc/91/95/08/535919508.db2.gz YTQYOEICNWMLRZ-UHFFFAOYSA-N 0 3 364.967 5.238 40 0 FKABHN C[C@@H]([C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C ZINC000001758859 570506703 /nfs/dbraw/zinc/50/67/03/570506703.db2.gz IFPVPHDPCJQNOZ-CYFREDJKSA-N 0 3 373.496 5.053 40 0 FKABHN C[C@H]([C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C ZINC000001758861 570506613 /nfs/dbraw/zinc/50/66/13/570506613.db2.gz IFPVPHDPCJQNOZ-DVECYGJZSA-N 0 3 373.496 5.053 40 0 FKABHN C[C@@H]([C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C ZINC000001758863 570506810 /nfs/dbraw/zinc/50/68/10/570506810.db2.gz IFPVPHDPCJQNOZ-YADARESESA-N 0 3 373.496 5.053 40 0 FKABHN C[C@H]([C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)N(C)C ZINC000001758865 570506685 /nfs/dbraw/zinc/50/66/85/570506685.db2.gz IFPVPHDPCJQNOZ-NTKDMRAZSA-N 0 3 373.496 5.053 40 0 FKABHN C[C@@H]([C@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C ZINC000001758880 570506759 /nfs/dbraw/zinc/50/67/59/570506759.db2.gz AWQGSQRZGAHTHE-XDHUDOTRSA-N 0 3 371.480 5.034 40 0 FKABHN C[C@H]([C@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C ZINC000001758882 570506749 /nfs/dbraw/zinc/50/67/49/570506749.db2.gz AWQGSQRZGAHTHE-OSPHWJPCSA-N 0 3 371.480 5.034 40 0 FKABHN C[C@@H]([C@@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C ZINC000001758884 210370036 /nfs/dbraw/zinc/37/00/36/210370036.db2.gz AWQGSQRZGAHTHE-BXKMTCNYSA-N 0 3 371.480 5.034 40 0 FKABHN C[C@H]([C@@H](OC(=O)C1c2ccccc2-c2ccccc21)c1ccccc1)N(C)C ZINC000001758886 570506711 /nfs/dbraw/zinc/50/67/11/570506711.db2.gz AWQGSQRZGAHTHE-MZNJEOGPSA-N 0 3 371.480 5.034 40 0 FKABHN CC(C)(C)c1nc([N-]c2ccc(Cl)cc2)s[n+]1C=C(Cl)Cl ZINC000001953273 570643520 /nfs/dbraw/zinc/64/35/20/570643520.db2.gz GTXYUAPOLZLYDI-UHFFFAOYSA-O 0 3 363.721 5.359 40 0 FKABHN COc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2 ZINC000002020011 536993668 /nfs/dbraw/zinc/99/36/68/536993668.db2.gz QOJDAWZHQLNKDR-INIZCTEOSA-N 0 3 354.519 5.172 40 0 in-man FKABHN C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000002568910 570647855 /nfs/dbraw/zinc/64/78/55/570647855.db2.gz YRMXCILLNZAXNX-MCLUHZGWSA-N 0 3 371.524 5.318 40 0 FKABHN C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004031306 570573572 /nfs/dbraw/zinc/57/35/72/570573572.db2.gz KVYUHOPVUTYJPS-UYGLSEIWSA-N 0 3 361.460 5.125 40 0 FKABHN C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004031307 204118753 /nfs/dbraw/zinc/11/87/53/204118753.db2.gz KVYUHOPVUTYJPS-XECWOPBBSA-N 0 3 361.460 5.125 40 0 FKABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)c1ccc(F)cc1 ZINC000004031308 570573569 /nfs/dbraw/zinc/57/35/69/570573569.db2.gz KVYUHOPVUTYJPS-OWYCYUENSA-N 0 3 361.460 5.125 40 0 FKABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC ZINC000004171225 207004692 /nfs/dbraw/zinc/00/46/92/207004692.db2.gz UCLGIKKXOIONJU-KGZUAYNTSA-N 0 3 351.534 5.656 40 0 FKABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)CCC ZINC000004171227 207004793 /nfs/dbraw/zinc/00/47/93/207004793.db2.gz UCLGIKKXOIONJU-GPDNFFQDSA-N 0 3 351.534 5.656 40 0 FKABHN c1ccc(Oc2ccc(Nc3c4c(nc5ccccc53)CCC4)cc2)cc1 ZINC000004192752 571105858 /nfs/dbraw/zinc/10/58/58/571105858.db2.gz JBXIXGCPZMQLHE-UHFFFAOYSA-N 0 3 352.437 6.259 40 0 FKABHN CN(C/C=C/c1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000004215341 210516447 /nfs/dbraw/zinc/51/64/47/210516447.db2.gz QTKQVDXGCWKEHE-SDNWHVSQSA-N 0 3 357.497 5.438 40 0 in-man FKABHN C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004477952 204140804 /nfs/dbraw/zinc/14/08/04/204140804.db2.gz YRMXCILLNZAXNX-RSCYBXQCSA-N 0 3 371.524 5.318 40 0 FKABHN C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004477953 204141378 /nfs/dbraw/zinc/14/13/78/204141378.db2.gz YRMXCILLNZAXNX-SXHPWKJGSA-N 0 3 371.524 5.318 40 0 FKABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)Cc1ccccc1 ZINC000004477954 204140569 /nfs/dbraw/zinc/14/05/69/204140569.db2.gz YRMXCILLNZAXNX-WNLYKICVSA-N 0 3 371.524 5.318 40 0 FKABHN C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555390 207028150 /nfs/dbraw/zinc/02/81/50/207028150.db2.gz NDHOPVCXDQDCPC-JNSABCDYSA-N 0 3 357.497 5.072 40 0 FKABHN C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555391 570902456 /nfs/dbraw/zinc/90/24/56/570902456.db2.gz NDHOPVCXDQDCPC-LJYZBVLISA-N 0 3 357.497 5.072 40 0 FKABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004555392 204146819 /nfs/dbraw/zinc/14/68/19/204146819.db2.gz NDHOPVCXDQDCPC-YUSVDLJSSA-N 0 3 357.497 5.072 40 0 FKABHN CCCCOc1ccc(C(=O)[C@@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000004577727 570668481 /nfs/dbraw/zinc/66/84/81/570668481.db2.gz QWQUZZQJNYOOBQ-QHCPKHFHSA-N 0 3 365.517 5.318 40 0 FKABHN CCCCOc1ccc(C(=O)[C@H](CN2CCCCC2)c2ccccc2)cc1 ZINC000004577728 570668453 /nfs/dbraw/zinc/66/84/53/570668453.db2.gz QWQUZZQJNYOOBQ-HSZRJFAPSA-N 0 3 365.517 5.318 40 0 FKABHN C[C@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000004652813 204151373 /nfs/dbraw/zinc/15/13/73/204151373.db2.gz YOCSCRSTBWZYLM-JCTBDJSQSA-N 0 3 350.289 5.012 40 0 FKABHN C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000004652814 207034922 /nfs/dbraw/zinc/03/49/22/207034922.db2.gz YOCSCRSTBWZYLM-LVSUZTCWSA-N 0 3 350.289 5.012 40 0 FKABHN C[C@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000004652815 570906207 /nfs/dbraw/zinc/90/62/07/570906207.db2.gz YOCSCRSTBWZYLM-PMDBGEGLSA-N 0 3 350.289 5.012 40 0 FKABHN C[C@@H]1C(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000004652816 570906209 /nfs/dbraw/zinc/90/62/09/570906209.db2.gz YOCSCRSTBWZYLM-BMEPFDOTSA-N 0 3 350.289 5.012 40 0 FKABHN CCCCCCC1(O)[C@@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000004712851 570670704 /nfs/dbraw/zinc/67/07/04/570670704.db2.gz ZOERYLZCLDLETJ-TZYAJKAJSA-N 0 3 365.561 6.046 40 0 FKABHN CCC[N+]1=C(/C=C\c2ccc3cccnc3c2[O-])C(C)(C)c2ccccc21 ZINC000004822581 204166476 /nfs/dbraw/zinc/16/64/76/204166476.db2.gz ITIQTLRYDVCGAT-UHFFFAOYSA-O 0 3 357.477 5.440 40 0 FKABHN Cc1ccccc1N1CCN(c2c3ccccc3nc3c2CCCCC3)CC1 ZINC000004823133 570608723 /nfs/dbraw/zinc/60/87/23/570608723.db2.gz YZFKSNWHDXQNNU-UHFFFAOYSA-N 0 3 371.528 5.139 40 0 FKABHN CC[N+]1=C(/C=C\c2cc(C)c3cccnc3c2[O-])C(C)(C)c2ccccc21 ZINC000004824031 207052668 /nfs/dbraw/zinc/05/26/68/207052668.db2.gz KGBUBMOFRYAHRZ-UHFFFAOYSA-O 0 3 357.477 5.358 40 0 FKABHN CCC[N+]1=C(/C=C\c2cc(C)c3cccnc3c2[O-])C(C)(C)c2ccccc21 ZINC000004824032 219609860 /nfs/dbraw/zinc/60/98/60/219609860.db2.gz LBCZMMPJNNAQMI-UHFFFAOYSA-O 0 3 371.504 5.748 40 0 FKABHN Cc1cccc2c1[N+](C)=C(/C=C\c1cc(C)c3cccnc3c1[O-])C2(C)C ZINC000004824036 204167212 /nfs/dbraw/zinc/16/72/12/204167212.db2.gz OEVCEUGMDHKWCQ-UHFFFAOYSA-O 0 3 357.477 5.277 40 0 FKABHN C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898345 204173638 /nfs/dbraw/zinc/17/36/38/204173638.db2.gz WPGSJVUKSMYCJB-RXOJSBQBSA-N 0 3 357.497 5.232 40 0 FKABHN C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898347 204173727 /nfs/dbraw/zinc/17/37/27/204173727.db2.gz WPGSJVUKSMYCJB-DOEPBTEJSA-N 0 3 357.497 5.232 40 0 FKABHN C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898349 570916132 /nfs/dbraw/zinc/91/61/32/570916132.db2.gz WPGSJVUKSMYCJB-URXVPBNYSA-N 0 3 357.497 5.232 40 0 FKABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)C1(O)c1ccccc1 ZINC000004898351 570916031 /nfs/dbraw/zinc/91/60/31/570916031.db2.gz WPGSJVUKSMYCJB-WJNSRDFLSA-N 0 3 357.497 5.232 40 0 FKABHN CN(C)Cc1c2ccccc2ccc1C(O)(c1ccccc1)c1ccccc1 ZINC000004900407 204174585 /nfs/dbraw/zinc/17/45/85/204174585.db2.gz AZGYMVDNGZKTCZ-UHFFFAOYSA-N 0 3 367.492 5.186 40 0 FKABHN CN(C)Cc1cc2ccccc2cc1C(O)(c1ccccc1)c1ccccc1 ZINC000004975102 207067667 /nfs/dbraw/zinc/06/76/67/207067667.db2.gz KAGLERNGBFSYRF-UHFFFAOYSA-N 0 3 367.492 5.186 40 0 FKABHN O[C@@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)N(C/C=C/c1ccccc1)CC2 ZINC000005192293 207085802 /nfs/dbraw/zinc/08/58/02/207085802.db2.gz WJIDANGHKXCJLA-RBCXQPIPSA-N 0 3 365.492 5.207 40 0 FKABHN Clc1ccc(CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005626249 570679767 /nfs/dbraw/zinc/67/97/67/570679767.db2.gz OBKYREAEPMNVOJ-UHFFFAOYSA-N 0 3 360.288 5.249 40 0 FKABHN Clc1ccc(CN2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 ZINC000005626249 570679766 /nfs/dbraw/zinc/67/97/66/570679766.db2.gz OBKYREAEPMNVOJ-UHFFFAOYSA-N 0 3 360.288 5.249 40 0 FKABHN CCN(CC)Cc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005840152 570636928 /nfs/dbraw/zinc/63/69/28/570636928.db2.gz PAKFQTNZLCWULY-DEOSSOPVSA-N 0 3 372.512 5.565 40 0 FKABHN N=C1NC(c2ccc(F)cc2)=C[C@H](c2ccc(Cl)cc2Cl)S1 ZINC000006221421 204240417 /nfs/dbraw/zinc/24/04/17/204240417.db2.gz CZOWGGDNKOPUGW-OAHLLOKOSA-N 0 3 353.249 5.486 40 0 FKABHN N=C1NC(c2ccc(F)cc2)=C[C@@H](c2ccc(Cl)cc2Cl)S1 ZINC000006221422 204241221 /nfs/dbraw/zinc/24/12/21/204241221.db2.gz CZOWGGDNKOPUGW-HNNXBMFYSA-N 0 3 353.249 5.486 40 0 FKABHN CC(C)(C)c1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1 ZINC000006357455 570780434 /nfs/dbraw/zinc/78/04/34/570780434.db2.gz CXBQJDICKILMIE-UHFFFAOYSA-N 0 3 350.506 5.222 40 0 FKABHN CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1cccs1 ZINC000007523797 263351847 /nfs/dbraw/zinc/35/18/47/263351847.db2.gz LIZFQBGIELWORN-UHFFFAOYSA-N 0 3 371.477 5.155 40 0 FKABHN CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1cccs1 ZINC000007538204 263351929 /nfs/dbraw/zinc/35/19/29/263351929.db2.gz GCQGIVUSDDCJSY-UHFFFAOYSA-N 0 3 367.514 5.324 40 0 FKABHN CCOc1cc(CNCc2ccccc2)ccc1OCc1cccs1 ZINC000008254753 570794588 /nfs/dbraw/zinc/79/45/88/570794588.db2.gz XIIQRHZLAMMWMW-UHFFFAOYSA-N 0 3 353.487 5.016 40 0 FKABHN CCOc1cc(CNCc2cccs2)ccc1OCc1cccs1 ZINC000008254757 570794502 /nfs/dbraw/zinc/79/45/02/570794502.db2.gz GHKBYXNYRWWQJC-UHFFFAOYSA-N 0 3 359.516 5.077 40 0 FKABHN CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008254761 570794566 /nfs/dbraw/zinc/79/45/66/570794566.db2.gz KJJHTBILPUPCCU-KRWDZBQOSA-N 0 3 367.514 5.577 40 0 FKABHN CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008254765 570794512 /nfs/dbraw/zinc/79/45/12/570794512.db2.gz KJJHTBILPUPCCU-QGZVFWFLSA-N 0 3 367.514 5.577 40 0 FKABHN COc1c(Cl)cc(Cl)cc1CN[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008497292 570795498 /nfs/dbraw/zinc/79/54/98/570795498.db2.gz IPUPFJZFUJGAHN-PGBBXINNSA-N 0 3 368.348 5.697 40 0 FKABHN COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008534257 263354943 /nfs/dbraw/zinc/35/49/43/263354943.db2.gz YZEJXMLCYPQMBO-INIZCTEOSA-N 0 3 353.487 5.187 40 0 FKABHN COc1c(Cl)cc(Cl)cc1CN[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000008534850 206246370 /nfs/dbraw/zinc/24/63/70/206246370.db2.gz IPUPFJZFUJGAHN-JSFDKUKPSA-N 0 3 368.348 5.697 40 0 FKABHN COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1cccs1 ZINC000008535329 263355054 /nfs/dbraw/zinc/35/50/54/263355054.db2.gz YZEJXMLCYPQMBO-MRXNPFEDSA-N 0 3 353.487 5.187 40 0 FKABHN CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000009063163 571302589 /nfs/dbraw/zinc/30/25/89/571302589.db2.gz YMTIWURAYYFPRL-UHFFFAOYSA-N 0 3 364.533 5.188 40 0 FKABHN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010325920 570803481 /nfs/dbraw/zinc/80/34/81/570803481.db2.gz OGJMMTPIXCTEHY-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010327873 570700352 /nfs/dbraw/zinc/70/03/52/570700352.db2.gz UFMVPFUGVQIUMD-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000010328665 571303025 /nfs/dbraw/zinc/30/30/25/571303025.db2.gz RDVJUHRFPCMDCE-UHFFFAOYSA-N 0 3 356.469 5.202 40 0 FKABHN O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010330053 571303050 /nfs/dbraw/zinc/30/30/50/571303050.db2.gz PCIKOYBZUQSGHE-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010331665 263365236 /nfs/dbraw/zinc/36/52/36/263365236.db2.gz VBXKCURIEJRSSL-UHFFFAOYSA-N 0 3 350.506 5.357 40 0 FKABHN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010332172 570832654 /nfs/dbraw/zinc/83/26/54/570832654.db2.gz COJDJRVYDHWALS-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCCC2)cc1 ZINC000010333127 571303175 /nfs/dbraw/zinc/30/31/75/571303175.db2.gz TUHNAVZATFZMHH-UHFFFAOYSA-N 0 3 372.468 5.327 40 0 FKABHN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000010335723 571303136 /nfs/dbraw/zinc/30/31/36/571303136.db2.gz YMDDCBBXWYYFFG-UHFFFAOYSA-N 0 3 372.468 5.327 40 0 FKABHN CCCCc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010336329 571303189 /nfs/dbraw/zinc/30/31/89/571303189.db2.gz LETBIBYRSYUCKB-UHFFFAOYSA-N 0 3 350.506 5.267 40 0 FKABHN O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000010367511 571303302 /nfs/dbraw/zinc/30/33/02/571303302.db2.gz AHTCICGXMMRTNX-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN O=C(Nc1ccccc1-c1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010370362 571303348 /nfs/dbraw/zinc/30/33/48/571303348.db2.gz CPKIJJXIPQCTMQ-UHFFFAOYSA-N 0 3 370.496 5.592 40 0 FKABHN O=C(Nc1ccc(CN2CCCCC2)cc1)C1(c2ccccc2)CCCC1 ZINC000010372781 570700410 /nfs/dbraw/zinc/70/04/10/570700410.db2.gz JYABROBMHJWGLT-UHFFFAOYSA-N 0 3 362.517 5.123 40 0 FKABHN CCCCCCC1(O)[C@@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000013562804 206304820 /nfs/dbraw/zinc/30/48/20/206304820.db2.gz ZOERYLZCLDLETJ-NQHMTMRJSA-N 0 3 365.561 6.046 40 0 FKABHN CCOc1cc(CNC2CCCCC2)c(Cl)cc1OCc1ccccc1 ZINC000013915599 208304879 /nfs/dbraw/zinc/30/48/79/208304879.db2.gz UDALXFUIMCYNGK-UHFFFAOYSA-N 0 3 373.924 5.740 40 0 FKABHN FC(F)(F)c1ccccc1CN(CCc1ccccc1)Cc1ccncc1 ZINC000013990037 220099493 /nfs/dbraw/zinc/09/94/93/220099493.db2.gz GVWYTVNWADKKJB-UHFFFAOYSA-N 0 3 370.418 5.345 40 0 FKABHN Clc1ccc(-c2cc(C3CCN(Cc4cccs4)CC3)[nH]n2)cc1 ZINC000013998174 220100830 /nfs/dbraw/zinc/10/08/30/220100830.db2.gz FCBOEFAAYISHGJ-UHFFFAOYSA-N 0 3 357.910 5.171 40 0 FKABHN Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000014163188 570844868 /nfs/dbraw/zinc/84/48/68/570844868.db2.gz SQVXINVALFBTPV-SAHWJRBASA-N 0 3 360.501 5.378 40 0 FKABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000017074701 570869668 /nfs/dbraw/zinc/86/96/68/570869668.db2.gz AADQHPVLCRTYMO-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000017074702 570869612 /nfs/dbraw/zinc/86/96/12/570869612.db2.gz GUBIVUOJJZWOON-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000017074703 570869678 /nfs/dbraw/zinc/86/96/78/570869678.db2.gz DQYDLYMZOFAEKQ-UHFFFAOYSA-N 0 3 363.288 5.232 40 0 FKABHN N=C(c1ccccc1)c1ccccc1C(O)(c1ccccc1)c1ccccc1 ZINC000017301331 570871897 /nfs/dbraw/zinc/87/18/97/570871897.db2.gz GZJWZFDJAKHOOK-UHFFFAOYSA-N 0 3 363.460 5.387 40 0 FKABHN Cc1ccc([C@@H](Cc2ccsc2)NCc2cn(C)c3ccccc23)nc1 ZINC000019215607 211207565 /nfs/dbraw/zinc/20/75/65/211207565.db2.gz DXWMBMCGUPLGHH-OAQYLSRUSA-N 0 3 361.514 5.017 40 0 FKABHN Cc1ccc([C@H](Cc2ccsc2)NCc2cn(C)c3ccccc23)nc1 ZINC000019215609 220240545 /nfs/dbraw/zinc/24/05/45/220240545.db2.gz DXWMBMCGUPLGHH-NRFANRHFSA-N 0 3 361.514 5.017 40 0 FKABHN Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4cccc(Cl)c4)C3)o2)s1 ZINC000019217621 220240757 /nfs/dbraw/zinc/24/07/57/220240757.db2.gz BJWJECOMNZPUIH-OAHLLOKOSA-N 0 3 373.909 5.140 40 0 FKABHN Cc1ccc(-c2nnc([C@H]3CCCN(Cc4cccc(Cl)c4)C3)o2)s1 ZINC000019217623 570882468 /nfs/dbraw/zinc/88/24/68/570882468.db2.gz BJWJECOMNZPUIH-HNNXBMFYSA-N 0 3 373.909 5.140 40 0 FKABHN Cc1ccc(-c2nnc([C@@H]3CCCN(Cc4ccccc4Cl)C3)o2)s1 ZINC000019217631 220241843 /nfs/dbraw/zinc/24/18/43/220241843.db2.gz RFEDRXNXWFBWDQ-OAHLLOKOSA-N 0 3 373.909 5.140 40 0 FKABHN Cc1ccc(-c2nnc([C@H]3CCCN(Cc4ccccc4Cl)C3)o2)s1 ZINC000019217634 570882228 /nfs/dbraw/zinc/88/22/28/570882228.db2.gz RFEDRXNXWFBWDQ-HNNXBMFYSA-N 0 3 373.909 5.140 40 0 FKABHN CC(C)c1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000019453200 570889269 /nfs/dbraw/zinc/88/92/69/570889269.db2.gz GBXQLPKBKXHXJW-UHFFFAOYSA-N 0 3 367.518 5.301 40 0 FKABHN COc1ccc([C@@H](C)N(C)Cc2c3cccnc3[nH]c2C2CCCC2)cc1 ZINC000019458713 220261272 /nfs/dbraw/zinc/26/12/72/220261272.db2.gz CXBMXHXSZPRVQE-MRXNPFEDSA-N 0 3 363.505 5.422 40 0 FKABHN COc1ccc([C@H](C)N(C)Cc2c3cccnc3[nH]c2C2CCCC2)cc1 ZINC000019458715 220261663 /nfs/dbraw/zinc/26/16/63/220261663.db2.gz CXBMXHXSZPRVQE-INIZCTEOSA-N 0 3 363.505 5.422 40 0 FKABHN Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2cccc(Cl)c2)c1C ZINC000019557964 220270428 /nfs/dbraw/zinc/27/04/28/220270428.db2.gz QDYCPTDHDSMEQE-SFHVURJKSA-N 0 3 370.884 5.062 40 0 FKABHN Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2cccc(Cl)c2)c1C ZINC000019557967 220270246 /nfs/dbraw/zinc/27/02/46/220270246.db2.gz QDYCPTDHDSMEQE-GOSISDBHSA-N 0 3 370.884 5.062 40 0 FKABHN Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccccc2Cl)c1C ZINC000019558000 211233144 /nfs/dbraw/zinc/23/31/44/211233144.db2.gz TYGCLWLFHILDJO-SFHVURJKSA-N 0 3 370.884 5.062 40 0 FKABHN Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccccc2Cl)c1C ZINC000019558002 220270296 /nfs/dbraw/zinc/27/02/96/220270296.db2.gz TYGCLWLFHILDJO-GOSISDBHSA-N 0 3 370.884 5.062 40 0 FKABHN Cc1nn(C(C)C)c(C)c1CN(CCc1ccccc1)Cc1cccs1 ZINC000019577422 263373966 /nfs/dbraw/zinc/37/39/66/263373966.db2.gz XHZIBNRWETVFJQ-UHFFFAOYSA-N 0 3 367.562 5.387 40 0 FKABHN CCSc1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000019931732 521777405 /nfs/dbraw/zinc/77/74/05/521777405.db2.gz CCCLNHCSVRSZIU-UHFFFAOYSA-N 0 3 354.519 5.037 40 0 FKABHN CCc1cccc(C)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000019934656 220306496 /nfs/dbraw/zinc/30/64/96/220306496.db2.gz XJTDONMGNZPMIC-UHFFFAOYSA-N 0 3 350.506 5.042 40 0 FKABHN CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020104120 570909985 /nfs/dbraw/zinc/90/99/85/570909985.db2.gz BLQIQPJOPXGUME-UHFFFAOYSA-N 0 3 364.533 5.296 40 0 FKABHN Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020104881 524210211 /nfs/dbraw/zinc/21/02/11/524210211.db2.gz SFXHNIWZAMELKQ-FQEVSTJZSA-N 0 3 364.533 5.026 40 0 FKABHN Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020104883 524203340 /nfs/dbraw/zinc/20/33/40/524203340.db2.gz SFXHNIWZAMELKQ-HXUWFJFHSA-N 0 3 364.533 5.026 40 0 FKABHN CC(C)C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000020107860 519246378 /nfs/dbraw/zinc/24/63/78/519246378.db2.gz PEUVAJNYNVFTOR-HSZRJFAPSA-N 0 3 364.533 5.190 40 0 FKABHN CC(C)C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000020107861 519392112 /nfs/dbraw/zinc/39/21/12/519392112.db2.gz PEUVAJNYNVFTOR-QHCPKHFHSA-N 0 3 364.533 5.190 40 0 FKABHN CC(C)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020454682 570916680 /nfs/dbraw/zinc/91/66/80/570916680.db2.gz PMFBNFWNXRYQHE-UHFFFAOYSA-N 0 3 350.506 5.294 40 0 FKABHN CCSc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020457798 521777162 /nfs/dbraw/zinc/77/71/62/521777162.db2.gz PBEITPOFZIMXBI-UHFFFAOYSA-N 0 3 368.546 5.283 40 0 FKABHN Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl ZINC000020485228 570917630 /nfs/dbraw/zinc/91/76/30/570917630.db2.gz CUFUGXUDDUOOPX-UHFFFAOYSA-N 0 3 356.897 5.133 40 0 FKABHN Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020490418 570918308 /nfs/dbraw/zinc/91/83/08/570918308.db2.gz YFMIUNUNQIOGSP-UHFFFAOYSA-N 0 3 356.897 5.133 40 0 FKABHN Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020490792 220329226 /nfs/dbraw/zinc/32/92/26/220329226.db2.gz HFNDHAPSXJUZBC-UHFFFAOYSA-N 0 3 356.897 5.133 40 0 FKABHN Nc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CN1CCCCC1 ZINC000020506698 211283714 /nfs/dbraw/zinc/28/37/14/211283714.db2.gz CGNHPBFJLBBMHJ-UHFFFAOYSA-N 0 3 351.881 5.123 40 0 FKABHN C(=C\c1ccccc1)\CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000021983537 220372436 /nfs/dbraw/zinc/37/24/36/220372436.db2.gz DERZBLKQOCDDDZ-RAXLEYEMSA-N 0 3 368.524 5.107 40 0 aggregator,world FKABHN Cc1c(Cl)cccc1-c1ccc(CN[C@H](C)[C@@H](O)c2ccccc2)o1 ZINC000022076859 263384907 /nfs/dbraw/zinc/38/49/07/263384907.db2.gz QFPMDQLNKKZKMA-QVKFZJNVSA-N 0 3 355.865 5.120 40 0 FKABHN Cc1c(Cl)cccc1-c1ccc(CN[C@@H](C)[C@@H](O)c2ccccc2)o1 ZINC000022076861 263385509 /nfs/dbraw/zinc/38/55/09/263385509.db2.gz QFPMDQLNKKZKMA-YCRPNKLZSA-N 0 3 355.865 5.120 40 0 FKABHN Cc1c(Cl)cccc1-c1ccc(CN[C@H](C)[C@H](O)c2ccccc2)o1 ZINC000022076863 263385179 /nfs/dbraw/zinc/38/51/79/263385179.db2.gz QFPMDQLNKKZKMA-VFNWGFHPSA-N 0 3 355.865 5.120 40 0 FKABHN Cc1c(Cl)cccc1-c1ccc(CN[C@@H](C)[C@H](O)c2ccccc2)o1 ZINC000022076865 263384766 /nfs/dbraw/zinc/38/47/66/263384766.db2.gz QFPMDQLNKKZKMA-BTYIYWSLSA-N 0 3 355.865 5.120 40 0 FKABHN Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000022509125 211353023 /nfs/dbraw/zinc/35/30/23/211353023.db2.gz HOELXOAJIPEGOA-UHFFFAOYSA-N 0 3 364.533 5.603 40 0 FKABHN CC1CCN(Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)CC1 ZINC000022512411 211351634 /nfs/dbraw/zinc/35/16/34/211351634.db2.gz WXGRWYPPMXPLGN-UHFFFAOYSA-N 0 3 358.485 5.324 40 0 FKABHN CCCCc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022519847 570945533 /nfs/dbraw/zinc/94/55/33/570945533.db2.gz FOIVPQDQPNNEIW-UHFFFAOYSA-N 0 3 364.533 5.513 40 0 FKABHN Clc1ccccc1-c1nn(-c2ccccc2)cc1CNCc1ccccc1 ZINC000027987027 571114481 /nfs/dbraw/zinc/11/44/81/571114481.db2.gz GQNXUCMULLUEHZ-UHFFFAOYSA-N 0 3 373.887 5.483 40 0 FKABHN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220370 571027780 /nfs/dbraw/zinc/02/77/80/571027780.db2.gz ZPKWYPBQGAAYHP-LJQANCHMSA-N 0 3 370.924 5.314 40 0 FKABHN CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220375 571027857 /nfs/dbraw/zinc/02/78/57/571027857.db2.gz ZPKWYPBQGAAYHP-IBGZPJMESA-N 0 3 370.924 5.314 40 0 FKABHN CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000030938225 571052589 /nfs/dbraw/zinc/05/25/89/571052589.db2.gz KAQQSJYMCCRWOX-HXUWFJFHSA-N 0 3 368.496 5.019 40 0 FKABHN CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000030938227 211526588 /nfs/dbraw/zinc/52/65/88/211526588.db2.gz KAQQSJYMCCRWOX-FQEVSTJZSA-N 0 3 368.496 5.019 40 0 FKABHN COc1ccc(CCNC2c3ccccc3C=Cc3ccccc32)cc1OC ZINC000031949560 571056480 /nfs/dbraw/zinc/05/64/80/571056480.db2.gz OALPJTIBFFLWLB-UHFFFAOYSA-N 0 3 371.480 5.109 40 0 FKABHN CC/C(=C(/c1ccc([O-])cc1)c1ccc(OCC[NH2+]C)cc1)c1ccccc1 ZINC000033753464 208098904 /nfs/dbraw/zinc/09/89/04/208098904.db2.gz MHJBZVSGOZTKRH-OCOZRVBESA-N 0 3 373.496 5.360 40 0 in-vitro FKABHN CCCCCCC1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000033921103 571085661 /nfs/dbraw/zinc/08/56/61/571085661.db2.gz ZOERYLZCLDLETJ-GGYFNBGWSA-N 0 3 365.561 6.046 40 0 FKABHN CCCCCCC1(O)[C@H](C)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000033921104 571085640 /nfs/dbraw/zinc/08/56/40/571085640.db2.gz ZOERYLZCLDLETJ-ZBZHKBISSA-N 0 3 365.561 6.046 40 0 FKABHN FC(F)(F)c1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000035572447 204995085 /nfs/dbraw/zinc/99/50/85/204995085.db2.gz GFVLDEOONDCYSC-UHFFFAOYSA-N 0 3 371.402 5.574 40 0 FKABHN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000037065733 570765925 /nfs/dbraw/zinc/76/59/25/570765925.db2.gz SQVXINVALFBTPV-MFEFFIJZSA-N 0 3 360.501 5.378 40 0 FKABHN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1C[C@@H](C)C[C@H](C)C1 ZINC000037065735 570766024 /nfs/dbraw/zinc/76/60/24/570766024.db2.gz SQVXINVALFBTPV-QQMNAOGKSA-N 0 3 360.501 5.378 40 0 FKABHN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038833695 571087255 /nfs/dbraw/zinc/08/72/55/571087255.db2.gz BHODJWGCRLBULR-LJQANCHMSA-N 0 3 370.924 5.314 40 0 FKABHN CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038833696 205043411 /nfs/dbraw/zinc/04/34/11/205043411.db2.gz BHODJWGCRLBULR-IBGZPJMESA-N 0 3 370.924 5.314 40 0 FKABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1 ZINC000038834149 205042406 /nfs/dbraw/zinc/04/24/06/205042406.db2.gz BEJFQJRKQIFHNK-UHFFFAOYSA-N 0 3 358.485 5.324 40 0 FKABHN Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038849588 571087651 /nfs/dbraw/zinc/08/76/51/571087651.db2.gz DLSSWLGWABVAPW-UHFFFAOYSA-N 0 3 356.897 5.133 40 0 FKABHN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000038856054 571088127 /nfs/dbraw/zinc/08/81/27/571088127.db2.gz SRXFNIMZKAIERA-LJQANCHMSA-N 0 3 370.924 5.116 40 0 FKABHN Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c(C)c1 ZINC000038856056 571088199 /nfs/dbraw/zinc/08/81/99/571088199.db2.gz SRXFNIMZKAIERA-IBGZPJMESA-N 0 3 370.924 5.116 40 0 FKABHN Cc1cc(C)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 ZINC000038856137 208208364 /nfs/dbraw/zinc/20/83/64/208208364.db2.gz TXKTZCRJVUPLLC-UHFFFAOYSA-N 0 3 350.506 5.096 40 0 FKABHN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038856675 571088341 /nfs/dbraw/zinc/08/83/41/571088341.db2.gz OZBUSZQXHQJJEA-GOSISDBHSA-N 0 3 370.924 5.314 40 0 FKABHN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038856677 205042985 /nfs/dbraw/zinc/04/29/85/205042985.db2.gz OZBUSZQXHQJJEA-SFHVURJKSA-N 0 3 370.924 5.314 40 0 FKABHN CC(C)c1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038856756 208208886 /nfs/dbraw/zinc/20/88/86/208208886.db2.gz HLRLDVPKIVSMHG-UHFFFAOYSA-N 0 3 350.506 5.294 40 0 FKABHN CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038856903 208207945 /nfs/dbraw/zinc/20/79/45/208207945.db2.gz XYXHDZWAUQKVMG-LJQANCHMSA-N 0 3 370.924 5.062 40 0 FKABHN CCc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038856905 208207195 /nfs/dbraw/zinc/20/71/95/208207195.db2.gz XYXHDZWAUQKVMG-IBGZPJMESA-N 0 3 370.924 5.062 40 0 FKABHN Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038859918 205044730 /nfs/dbraw/zinc/04/47/30/205044730.db2.gz NESFCNSDXJJWFL-LJQANCHMSA-N 0 3 368.496 5.108 40 0 FKABHN Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038859922 571088332 /nfs/dbraw/zinc/08/83/32/571088332.db2.gz NESFCNSDXJJWFL-IBGZPJMESA-N 0 3 368.496 5.108 40 0 FKABHN Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039748170 263399764 /nfs/dbraw/zinc/39/97/64/263399764.db2.gz BCRWRTSJGKVWQX-UHFFFAOYSA-N 0 3 368.496 5.108 40 0 FKABHN CCCCc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039754679 263399515 /nfs/dbraw/zinc/39/95/15/263399515.db2.gz CYIDHNIKHAFHSH-UHFFFAOYSA-N 0 3 364.533 5.188 40 0 FKABHN Cc1ccc(CN2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)cc1 ZINC000039767174 571023492 /nfs/dbraw/zinc/02/34/92/571023492.db2.gz VSNPEAWUCXROQD-UHFFFAOYSA-N 0 3 364.533 5.278 40 0 FKABHN CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039773136 571024099 /nfs/dbraw/zinc/02/40/99/571024099.db2.gz GQGHMMQDKQOWDJ-UHFFFAOYSA-N 0 3 368.496 5.019 40 0 FKABHN Cc1cccc(CN2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)c1 ZINC000039773403 571024136 /nfs/dbraw/zinc/02/41/36/571024136.db2.gz GRIFPACUNSMXMN-UHFFFAOYSA-N 0 3 364.533 5.278 40 0 FKABHN CN(C/C=C\c1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000040163421 571306333 /nfs/dbraw/zinc/30/63/33/571306333.db2.gz QTKQVDXGCWKEHE-KAMYIIQDSA-N 0 3 357.497 5.438 40 0 FKABHN Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000044786858 571102162 /nfs/dbraw/zinc/10/21/62/571102162.db2.gz HOFUWJRUACBRQR-LJQANCHMSA-N 0 3 370.924 5.116 40 0 FKABHN Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000044786860 571102229 /nfs/dbraw/zinc/10/22/29/571102229.db2.gz HOFUWJRUACBRQR-IBGZPJMESA-N 0 3 370.924 5.116 40 0 FKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C ZINC000044856405 571103209 /nfs/dbraw/zinc/10/32/09/571103209.db2.gz JVZCZPRUTWNVHW-HXUWFJFHSA-N 0 3 364.533 5.026 40 0 FKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C ZINC000044856406 205112600 /nfs/dbraw/zinc/11/26/00/205112600.db2.gz JVZCZPRUTWNVHW-FQEVSTJZSA-N 0 3 364.533 5.026 40 0 FKABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856555 571103182 /nfs/dbraw/zinc/10/31/82/571103182.db2.gz ZNJHKKRNQNQILX-QHCPKHFHSA-N 0 3 364.533 5.170 40 0 FKABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)c(C)c1 ZINC000044856556 571103186 /nfs/dbraw/zinc/10/31/86/571103186.db2.gz ZNJHKKRNQNQILX-HSZRJFAPSA-N 0 3 364.533 5.170 40 0 FKABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1C ZINC000044856713 571103626 /nfs/dbraw/zinc/10/36/26/571103626.db2.gz LIBHIQSOLWLAOM-QHCPKHFHSA-N 0 3 364.533 5.170 40 0 FKABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccc(C)cc1C ZINC000044856714 571103600 /nfs/dbraw/zinc/10/36/00/571103600.db2.gz LIBHIQSOLWLAOM-HSZRJFAPSA-N 0 3 364.533 5.170 40 0 FKABHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 ZINC000044935039 211807555 /nfs/dbraw/zinc/80/75/55/211807555.db2.gz OLTPYIFRPBVWPJ-HXUWFJFHSA-N 0 3 364.533 5.026 40 0 FKABHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 ZINC000044935042 571105390 /nfs/dbraw/zinc/10/53/90/571105390.db2.gz OLTPYIFRPBVWPJ-FQEVSTJZSA-N 0 3 364.533 5.026 40 0 FKABHN CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)cc1 ZINC000044935886 205116611 /nfs/dbraw/zinc/11/66/11/205116611.db2.gz QQIOJBFMZLOSJF-QHCPKHFHSA-N 0 3 364.533 5.108 40 0 FKABHN CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc(C)cc1 ZINC000044935889 205116827 /nfs/dbraw/zinc/11/68/27/205116827.db2.gz QQIOJBFMZLOSJF-HSZRJFAPSA-N 0 3 364.533 5.108 40 0 FKABHN FC(F)(F)c1ccc(CN2CC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000049168965 209334250 /nfs/dbraw/zinc/33/42/50/209334250.db2.gz VKKAIPKMPSFGOJ-AWEZNQCLSA-N 0 3 362.420 5.305 40 0 biogenic,in-vitro FKABHN Clc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4Cl)C3)o2)cc1 ZINC000049169400 221020161 /nfs/dbraw/zinc/02/01/61/221020161.db2.gz WWFNNTUFQKZCSK-HNNXBMFYSA-N 0 3 374.271 5.033 40 0 biogenic,in-vitro FKABHN COc1ccc(C2(NCc3cnc(-c4ccccc4C)nc3)CCCC2)cc1 ZINC000057822814 221094534 /nfs/dbraw/zinc/09/45/34/221094534.db2.gz OWUFBPRNXSSTSN-UHFFFAOYSA-N 0 3 373.500 5.020 40 0 FKABHN CCCCCn1c(O)c(C(=O)c2cccc3ccccc32)c2ccccc21 ZINC000064858553 221155030 /nfs/dbraw/zinc/15/50/30/221155030.db2.gz LSYJCVSGIQLLKF-UHFFFAOYSA-N 0 3 357.453 5.921 40 0 in-vitro FKABHN N[C@H](c1ccc(Cl)c(Cl)c1)[C@H](N)c1ccc(Cl)c(Cl)c1 ZINC000067794689 571149813 /nfs/dbraw/zinc/14/98/13/571149813.db2.gz RIJWHLJUZPWPKV-ZIAGYGMSSA-N 0 3 350.076 5.000 40 0 FKABHN CC(C)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C(C)C ZINC000072212982 570528787 /nfs/dbraw/zinc/52/87/87/570528787.db2.gz KHUDMFJGFBZGMZ-QFIPXVFZSA-N 0 3 351.538 5.432 40 0 FKABHN CC(C)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C(C)C ZINC000072212983 570528636 /nfs/dbraw/zinc/52/86/36/570528636.db2.gz KHUDMFJGFBZGMZ-JOCHJYFZSA-N 0 3 351.538 5.432 40 0 FKABHN CN(c1ccccc1)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214224 570529595 /nfs/dbraw/zinc/52/95/95/570529595.db2.gz FRBIDQLPOBIFGH-QHCPKHFHSA-N 0 3 357.501 5.577 40 0 FKABHN CN(c1ccccc1)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214225 570529497 /nfs/dbraw/zinc/52/94/97/570529497.db2.gz FRBIDQLPOBIFGH-HSZRJFAPSA-N 0 3 357.501 5.577 40 0 FKABHN CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214344 570529877 /nfs/dbraw/zinc/52/98/77/570529877.db2.gz KAQQKJYFOBXLAK-IBGZPJMESA-N 0 3 367.493 5.156 40 0 FKABHN CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 ZINC000072214345 570529941 /nfs/dbraw/zinc/52/99/41/570529941.db2.gz KAQQKJYFOBXLAK-LJQANCHMSA-N 0 3 367.493 5.156 40 0 FKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072214557 570530153 /nfs/dbraw/zinc/53/01/53/570530153.db2.gz FLDZYMYCWPJIKH-SFHVURJKSA-N 0 3 361.530 5.024 40 0 FKABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072214558 570530079 /nfs/dbraw/zinc/53/00/79/570530079.db2.gz FLDZYMYCWPJIKH-GOSISDBHSA-N 0 3 361.530 5.024 40 0 FKABHN CCCN1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214559 570530058 /nfs/dbraw/zinc/53/00/58/570530058.db2.gz ULZQGROYUTUFOD-GOSISDBHSA-N 0 3 361.530 5.026 40 0 FKABHN CCCN1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214560 570529866 /nfs/dbraw/zinc/52/98/66/570529866.db2.gz ULZQGROYUTUFOD-SFHVURJKSA-N 0 3 361.530 5.026 40 0 FKABHN CCN1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214574 570530096 /nfs/dbraw/zinc/53/00/96/570530096.db2.gz QQELROOZVCRIQC-GOSISDBHSA-N 0 3 361.530 5.026 40 0 FKABHN CCN1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214575 570530034 /nfs/dbraw/zinc/53/00/34/570530034.db2.gz QQELROOZVCRIQC-SFHVURJKSA-N 0 3 361.530 5.026 40 0 FKABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC(C)C)cn1 ZINC000072214640 570529885 /nfs/dbraw/zinc/52/98/85/570529885.db2.gz PSIXEMOOVYWOSZ-SFHVURJKSA-N 0 3 361.530 5.026 40 0 FKABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC(C)C)cn1 ZINC000072214641 570529919 /nfs/dbraw/zinc/52/99/19/570529919.db2.gz PSIXEMOOVYWOSZ-GOSISDBHSA-N 0 3 361.530 5.026 40 0 FKABHN CCCCN1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214642 570529972 /nfs/dbraw/zinc/52/99/72/570529972.db2.gz NUNNEUHLGVLVPZ-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN1CCCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214643 570529856 /nfs/dbraw/zinc/52/98/56/570529856.db2.gz NUNNEUHLGVLVPZ-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN1CCC[C@@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214683 570530000 /nfs/dbraw/zinc/53/00/00/570530000.db2.gz SJPJEGBTOQDLTL-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN1CCC[C@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214684 570530109 /nfs/dbraw/zinc/53/01/09/570530109.db2.gz SJPJEGBTOQDLTL-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CCC)cn1 ZINC000072214696 570529931 /nfs/dbraw/zinc/52/99/31/570529931.db2.gz AYTGCTFRUCNTNZ-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CCC)cn1 ZINC000072214697 570529844 /nfs/dbraw/zinc/52/98/44/570529844.db2.gz AYTGCTFRUCNTNZ-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072214698 570529890 /nfs/dbraw/zinc/52/98/90/570529890.db2.gz SCMHPBPKBOWNEA-SFHVURJKSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072214699 570530136 /nfs/dbraw/zinc/53/01/36/570530136.db2.gz SCMHPBPKBOWNEA-GOSISDBHSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC(C)C ZINC000072214741 570530325 /nfs/dbraw/zinc/53/03/25/570530325.db2.gz GADIMLFFPZYYPJ-SFHVURJKSA-N 0 3 361.530 5.026 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC(C)C ZINC000072214742 570530518 /nfs/dbraw/zinc/53/05/18/570530518.db2.gz GADIMLFFPZYYPJ-GOSISDBHSA-N 0 3 361.530 5.026 40 0 FKABHN CCCCN1CCC[C@@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214743 570530558 /nfs/dbraw/zinc/53/05/58/570530558.db2.gz OQECNOZQWXPFRL-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN1CCC[C@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214744 570530337 /nfs/dbraw/zinc/53/03/37/570530337.db2.gz OQECNOZQWXPFRL-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CCC ZINC000072214756 570530654 /nfs/dbraw/zinc/53/06/54/570530654.db2.gz UUJWQFUQRFNTGO-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CCC ZINC000072214757 570530551 /nfs/dbraw/zinc/53/05/51/570530551.db2.gz UUJWQFUQRFNTGO-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1CC(C)C ZINC000072214820 570530663 /nfs/dbraw/zinc/53/06/63/570530663.db2.gz JDJSSMOFFGDTQS-SFHVURJKSA-N 0 3 361.530 5.026 40 0 FKABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1CC(C)C ZINC000072214821 570530620 /nfs/dbraw/zinc/53/06/20/570530620.db2.gz JDJSSMOFFGDTQS-GOSISDBHSA-N 0 3 361.530 5.026 40 0 FKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214822 570530489 /nfs/dbraw/zinc/53/04/89/570530489.db2.gz QSSFKIDHSJKRJN-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN1CCCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214823 570530584 /nfs/dbraw/zinc/53/05/84/570530584.db2.gz QSSFKIDHSJKRJN-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214863 570530608 /nfs/dbraw/zinc/53/06/08/570530608.db2.gz BRVWSOQKNJLNMK-GOSISDBHSA-N 0 3 361.530 5.169 40 0 FKABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214864 570530432 /nfs/dbraw/zinc/53/04/32/570530432.db2.gz BRVWSOQKNJLNMK-SFHVURJKSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214876 570530354 /nfs/dbraw/zinc/53/03/54/570530354.db2.gz IASFAFJUOKIVNC-GOSISDBHSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214877 570530578 /nfs/dbraw/zinc/53/05/78/570530578.db2.gz IASFAFJUOKIVNC-SFHVURJKSA-N 0 3 361.530 5.169 40 0 FKABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072214878 570530644 /nfs/dbraw/zinc/53/06/44/570530644.db2.gz LJKUOEHHRQLDFT-GOSISDBHSA-N 0 3 361.530 5.167 40 0 FKABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072214879 570530527 /nfs/dbraw/zinc/53/05/27/570530527.db2.gz LJKUOEHHRQLDFT-SFHVURJKSA-N 0 3 361.530 5.167 40 0 FKABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214921 570530627 /nfs/dbraw/zinc/53/06/27/570530627.db2.gz XHDPYAXMVITFLT-GOSISDBHSA-N 0 3 361.530 5.024 40 0 FKABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214922 570530395 /nfs/dbraw/zinc/53/03/95/570530395.db2.gz XHDPYAXMVITFLT-SFHVURJKSA-N 0 3 361.530 5.024 40 0 FKABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214923 570530601 /nfs/dbraw/zinc/53/06/01/570530601.db2.gz QTYWKGHCZMEWBH-GOSISDBHSA-N 0 3 361.530 5.169 40 0 FKABHN CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214924 570530420 /nfs/dbraw/zinc/53/04/20/570530420.db2.gz QTYWKGHCZMEWBH-SFHVURJKSA-N 0 3 361.530 5.169 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072214977 570530635 /nfs/dbraw/zinc/53/06/35/570530635.db2.gz NRSXOTMCVAQGOU-SFHVURJKSA-N 0 3 361.530 5.169 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072214978 570530591 /nfs/dbraw/zinc/53/05/91/570530591.db2.gz NRSXOTMCVAQGOU-GOSISDBHSA-N 0 3 361.530 5.169 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CCC)cn1 ZINC000072214979 570530408 /nfs/dbraw/zinc/53/04/08/570530408.db2.gz LZFPWXSQPQBGRK-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CCC)cn1 ZINC000072214980 570530474 /nfs/dbraw/zinc/53/04/74/570530474.db2.gz LZFPWXSQPQBGRK-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 ZINC000072214994 570530565 /nfs/dbraw/zinc/53/05/65/570530565.db2.gz GLBJRQHKZBVNLG-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 ZINC000072214995 570530451 /nfs/dbraw/zinc/53/04/51/570530451.db2.gz GLBJRQHKZBVNLG-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C ZINC000072215037 570530647 /nfs/dbraw/zinc/53/06/47/570530647.db2.gz LGEIMSXWYIZDLH-SFHVURJKSA-N 0 3 361.530 5.169 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C ZINC000072215038 570530536 /nfs/dbraw/zinc/53/05/36/570530536.db2.gz LGEIMSXWYIZDLH-GOSISDBHSA-N 0 3 361.530 5.169 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CCC ZINC000072215039 570531081 /nfs/dbraw/zinc/53/10/81/570531081.db2.gz DJIQMLUQBKQOPW-SFHVURJKSA-N 0 3 361.530 5.170 40 0 FKABHN CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CCC ZINC000072215040 570530814 /nfs/dbraw/zinc/53/08/14/570530814.db2.gz DJIQMLUQBKQOPW-GOSISDBHSA-N 0 3 361.530 5.170 40 0 FKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072215115 570530940 /nfs/dbraw/zinc/53/09/40/570530940.db2.gz GPXIWYQIHNNMMD-AEFFLSMTSA-N 0 3 361.530 5.167 40 0 FKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072215116 570531047 /nfs/dbraw/zinc/53/10/47/570531047.db2.gz GPXIWYQIHNNMMD-WMZOPIPTSA-N 0 3 361.530 5.167 40 0 FKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072215117 570531011 /nfs/dbraw/zinc/53/10/11/570531011.db2.gz GPXIWYQIHNNMMD-SJLPKXTDSA-N 0 3 361.530 5.167 40 0 FKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072215118 570531113 /nfs/dbraw/zinc/53/11/13/570531113.db2.gz GPXIWYQIHNNMMD-FUHWJXTLSA-N 0 3 361.530 5.167 40 0 FKABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215119 570531122 /nfs/dbraw/zinc/53/11/22/570531122.db2.gz DVFGELBPMWYQMT-FUHWJXTLSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215120 570530997 /nfs/dbraw/zinc/53/09/97/570530997.db2.gz DVFGELBPMWYQMT-WMZOPIPTSA-N 0 3 361.530 5.169 40 0 FKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 ZINC000072215145 570531066 /nfs/dbraw/zinc/53/10/66/570531066.db2.gz QDFIDWLGSAYJAM-AEFFLSMTSA-N 0 3 361.530 5.169 40 0 FKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 ZINC000072215146 570531128 /nfs/dbraw/zinc/53/11/28/570531128.db2.gz QDFIDWLGSAYJAM-WMZOPIPTSA-N 0 3 361.530 5.169 40 0 FKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 ZINC000072215147 570531056 /nfs/dbraw/zinc/53/10/56/570531056.db2.gz QDFIDWLGSAYJAM-SJLPKXTDSA-N 0 3 361.530 5.169 40 0 FKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 ZINC000072215148 570531143 /nfs/dbraw/zinc/53/11/43/570531143.db2.gz QDFIDWLGSAYJAM-FUHWJXTLSA-N 0 3 361.530 5.169 40 0 FKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C ZINC000072215227 570530880 /nfs/dbraw/zinc/53/08/80/570530880.db2.gz NVNWYYCPAHNRHS-AEFFLSMTSA-N 0 3 361.530 5.167 40 0 FKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C ZINC000072215228 570530847 /nfs/dbraw/zinc/53/08/47/570530847.db2.gz NVNWYYCPAHNRHS-WMZOPIPTSA-N 0 3 361.530 5.167 40 0 FKABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C ZINC000072215229 570531148 /nfs/dbraw/zinc/53/11/48/570531148.db2.gz NVNWYYCPAHNRHS-SJLPKXTDSA-N 0 3 361.530 5.167 40 0 FKABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C ZINC000072215230 570531139 /nfs/dbraw/zinc/53/11/39/570531139.db2.gz NVNWYYCPAHNRHS-FUHWJXTLSA-N 0 3 361.530 5.167 40 0 FKABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215231 570531072 /nfs/dbraw/zinc/53/10/72/570531072.db2.gz ACNVLENRHNVGCA-FUHWJXTLSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215232 570530970 /nfs/dbraw/zinc/53/09/70/570530970.db2.gz ACNVLENRHNVGCA-WMZOPIPTSA-N 0 3 361.530 5.169 40 0 FKABHN CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215344 570531487 /nfs/dbraw/zinc/53/14/87/570531487.db2.gz DPVJBLMBRCJOLT-LJQANCHMSA-N 0 3 373.541 5.169 40 0 FKABHN CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215345 570531420 /nfs/dbraw/zinc/53/14/20/570531420.db2.gz DPVJBLMBRCJOLT-IBGZPJMESA-N 0 3 373.541 5.169 40 0 FKABHN CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215346 570531651 /nfs/dbraw/zinc/53/16/51/570531651.db2.gz AQQBBTLALCOZEA-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215347 570531613 /nfs/dbraw/zinc/53/16/13/570531613.db2.gz AQQBBTLALCOZEA-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215404 570531603 /nfs/dbraw/zinc/53/16/03/570531603.db2.gz AXTCITGLFAUGOG-LJQANCHMSA-N 0 3 373.541 5.169 40 0 FKABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215405 570531503 /nfs/dbraw/zinc/53/15/03/570531503.db2.gz AXTCITGLFAUGOG-IBGZPJMESA-N 0 3 373.541 5.169 40 0 FKABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215406 570531569 /nfs/dbraw/zinc/53/15/69/570531569.db2.gz VMQYTVYMSRJUJL-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215407 570531577 /nfs/dbraw/zinc/53/15/77/570531577.db2.gz VMQYTVYMSRJUJL-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215447 570531510 /nfs/dbraw/zinc/53/15/10/570531510.db2.gz SFOYRWJIGJJCLR-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215448 570531495 /nfs/dbraw/zinc/53/14/95/570531495.db2.gz SFOYRWJIGJJCLR-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215460 570531671 /nfs/dbraw/zinc/53/16/71/570531671.db2.gz HCDGTRCQHGJSOC-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215461 570531556 /nfs/dbraw/zinc/53/15/56/570531556.db2.gz HCDGTRCQHGJSOC-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215462 570531442 /nfs/dbraw/zinc/53/14/42/570531442.db2.gz TUIWVBDCQBWSPC-LJQANCHMSA-N 0 3 373.541 5.311 40 0 FKABHN CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215463 570531621 /nfs/dbraw/zinc/53/16/21/570531621.db2.gz TUIWVBDCQBWSPC-IBGZPJMESA-N 0 3 373.541 5.311 40 0 FKABHN CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215505 570531450 /nfs/dbraw/zinc/53/14/50/570531450.db2.gz UTWLGSRGHTVNCG-LJQANCHMSA-N 0 3 373.541 5.169 40 0 FKABHN CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215506 570531457 /nfs/dbraw/zinc/53/14/57/570531457.db2.gz UTWLGSRGHTVNCG-IBGZPJMESA-N 0 3 373.541 5.169 40 0 FKABHN CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215507 570531465 /nfs/dbraw/zinc/53/14/65/570531465.db2.gz UQWHCCRHGDIBTJ-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215508 570531640 /nfs/dbraw/zinc/53/16/40/570531640.db2.gz UQWHCCRHGDIBTJ-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215561 570532245 /nfs/dbraw/zinc/53/22/45/570532245.db2.gz XYGPFMWRWDBZSU-LJQANCHMSA-N 0 3 373.541 5.311 40 0 FKABHN CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215562 570531956 /nfs/dbraw/zinc/53/19/56/570531956.db2.gz XYGPFMWRWDBZSU-IBGZPJMESA-N 0 3 373.541 5.311 40 0 FKABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215563 570532146 /nfs/dbraw/zinc/53/21/46/570532146.db2.gz CDOLGYMFRHXHKG-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215564 570531986 /nfs/dbraw/zinc/53/19/86/570531986.db2.gz CDOLGYMFRHXHKG-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215578 570532019 /nfs/dbraw/zinc/53/20/19/570532019.db2.gz YENKQSBGNWHDQB-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215579 570532199 /nfs/dbraw/zinc/53/21/99/570532199.db2.gz YENKQSBGNWHDQB-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CC(C)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215621 570527608 /nfs/dbraw/zinc/52/76/08/570527608.db2.gz LTEPVPYTYBMSFX-LJQANCHMSA-N 0 3 373.541 5.311 40 0 FKABHN CC(C)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215622 570527619 /nfs/dbraw/zinc/52/76/19/570527619.db2.gz LTEPVPYTYBMSFX-IBGZPJMESA-N 0 3 373.541 5.311 40 0 FKABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215623 570527638 /nfs/dbraw/zinc/52/76/38/570527638.db2.gz GPZVVFKCECJGNF-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215624 570527509 /nfs/dbraw/zinc/52/75/09/570527509.db2.gz GPZVVFKCECJGNF-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215673 570532896 /nfs/dbraw/zinc/53/28/96/570532896.db2.gz PRWFZDQJQHAAFP-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215674 570532942 /nfs/dbraw/zinc/53/29/42/570532942.db2.gz PRWFZDQJQHAAFP-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215696 570532873 /nfs/dbraw/zinc/53/28/73/570532873.db2.gz VTFLRMYIGAHHSN-IBGZPJMESA-N 0 3 373.541 5.313 40 0 FKABHN CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215697 570532985 /nfs/dbraw/zinc/53/29/85/570532985.db2.gz VTFLRMYIGAHHSN-LJQANCHMSA-N 0 3 373.541 5.313 40 0 FKABHN CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215793 570533046 /nfs/dbraw/zinc/53/30/46/570533046.db2.gz KQASWKJKSQNHSO-LJQANCHMSA-N 0 3 367.493 5.312 40 0 FKABHN CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215794 570532968 /nfs/dbraw/zinc/53/29/68/570532968.db2.gz KQASWKJKSQNHSO-IBGZPJMESA-N 0 3 367.493 5.312 40 0 FKABHN CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215816 570532933 /nfs/dbraw/zinc/53/29/33/570532933.db2.gz BBIOKLAWSYFWST-IBGZPJMESA-N 0 3 367.493 5.312 40 0 FKABHN CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215817 570532975 /nfs/dbraw/zinc/53/29/75/570532975.db2.gz BBIOKLAWSYFWST-LJQANCHMSA-N 0 3 367.493 5.312 40 0 FKABHN c1ccc(CN2CCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217290 570532062 /nfs/dbraw/zinc/53/20/62/570532062.db2.gz DPHTVSJKGMPQBX-OAQYLSRUSA-N 0 3 352.547 5.844 40 0 FKABHN c1ccc(CN2CCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217291 570531994 /nfs/dbraw/zinc/53/19/94/570531994.db2.gz DPHTVSJKGMPQBX-NRFANRHFSA-N 0 3 352.547 5.844 40 0 FKABHN Cc1ccc(Cc2cccc([C@@H]3CCCN3Cc3ccc(O)cc3)n2)cc1 ZINC000072357898 571183000 /nfs/dbraw/zinc/18/30/00/571183000.db2.gz XFWHGJGPDXSZHY-DEOSSOPVSA-N 0 3 358.485 5.024 40 0 FKABHN Cc1ccc(Cc2cccc([C@H]3CCCN3Cc3ccc(O)cc3)n2)cc1 ZINC000072357899 571182991 /nfs/dbraw/zinc/18/29/91/571182991.db2.gz XFWHGJGPDXSZHY-XMMPIXPASA-N 0 3 358.485 5.024 40 0 FKABHN CCOc1ccc([C@@H](C)N(C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393371 571190279 /nfs/dbraw/zinc/19/02/79/571190279.db2.gz ZHSROVMTPARQBT-MRXNPFEDSA-N 0 3 351.494 5.278 40 0 FKABHN CCOc1ccc([C@H](C)N(C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393372 571190242 /nfs/dbraw/zinc/19/02/42/571190242.db2.gz ZHSROVMTPARQBT-INIZCTEOSA-N 0 3 351.494 5.278 40 0 FKABHN C[C@H](N[C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000094986217 570450794 /nfs/dbraw/zinc/45/07/94/570450794.db2.gz OHYNAAXWPNIVOJ-RYUDHWBXSA-N 0 3 361.329 6.136 40 0 FKABHN C[C@@H](N[C@@H](C)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000094986218 209018740 /nfs/dbraw/zinc/01/87/40/209018740.db2.gz OHYNAAXWPNIVOJ-NWDGAFQWSA-N 0 3 361.329 6.136 40 0 FKABHN C[C@@H](N[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000094986219 570450814 /nfs/dbraw/zinc/45/08/14/570450814.db2.gz OHYNAAXWPNIVOJ-VXGBXAGGSA-N 0 3 361.329 6.136 40 0 FKABHN CN1CCCC[C@@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 ZINC000096032822 571334189 /nfs/dbraw/zinc/33/41/89/571334189.db2.gz VNSNHIFBQMRMRE-MRXNPFEDSA-N 0 3 352.522 5.163 40 0 in-vitro FKABHN CN1CCCC[C@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 ZINC000096032824 571334160 /nfs/dbraw/zinc/33/41/60/571334160.db2.gz VNSNHIFBQMRMRE-INIZCTEOSA-N 0 3 352.522 5.163 40 0 in-vitro FKABHN Cc1ccc(CN2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)o1 ZINC000096100174 222023080 /nfs/dbraw/zinc/02/30/80/222023080.db2.gz GDRKFHFZOTZESB-UHFFFAOYSA-N 0 3 358.485 5.130 40 0 FKABHN Fc1ccc(CN2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)cc1 ZINC000096100176 209111392 /nfs/dbraw/zinc/11/13/92/209111392.db2.gz DKZXKWJKCPKJMQ-UHFFFAOYSA-N 0 3 372.487 5.368 40 0 FKABHN CC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101637121 222278713 /nfs/dbraw/zinc/27/87/13/222278713.db2.gz KIXGFZRPUASEFM-CQJMVLFOSA-N 0 3 371.524 5.462 40 0 FKABHN CC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101637124 222279439 /nfs/dbraw/zinc/27/94/39/222279439.db2.gz KIXGFZRPUASEFM-ZJSPYRCASA-N 0 3 371.524 5.462 40 0 FKABHN CC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000101637127 222279294 /nfs/dbraw/zinc/27/92/94/222279294.db2.gz KIXGFZRPUASEFM-SSUZURRFSA-N 0 3 371.524 5.462 40 0 FKABHN CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC ZINC000101652082 570512803 /nfs/dbraw/zinc/51/28/03/570512803.db2.gz UCLGIKKXOIONJU-NHKCCNDQSA-N 0 3 351.534 5.656 40 0 FKABHN CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC ZINC000101652084 222279622 /nfs/dbraw/zinc/27/96/22/222279622.db2.gz UCLGIKKXOIONJU-RABNCREUSA-N 0 3 351.534 5.656 40 0 FKABHN CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)CCC ZINC000101652086 222279166 /nfs/dbraw/zinc/27/91/66/222279166.db2.gz UCLGIKKXOIONJU-PKBMHHEFSA-N 0 3 351.534 5.656 40 0 FKABHN CCCC1=C(C(C)C)[NH2+]C(C(C)C)=C([C@@H](C)O)[C@@H]1c1ccc(F)cc1[O-] ZINC000101774066 570871944 /nfs/dbraw/zinc/87/19/44/570871944.db2.gz OINVVPOIGFSNHM-JLTOFOAXSA-N 0 3 361.501 5.219 40 0 FKABHN C[C@H]1C(O)[C@@H](C)[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000102695827 222305570 /nfs/dbraw/zinc/30/55/70/222305570.db2.gz YOCSCRSTBWZYLM-PXMUBCGSSA-N 0 3 350.289 5.012 40 0 FKABHN C[C@H]1C(O)[C@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000102695832 570768316 /nfs/dbraw/zinc/76/83/16/570768316.db2.gz YOCSCRSTBWZYLM-BZSIODOPSA-N 0 3 350.289 5.012 40 0 FKABHN C[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000106013710 222380725 /nfs/dbraw/zinc/38/07/25/222380725.db2.gz NDHOPVCXDQDCPC-IODBPXAYSA-N 0 3 357.497 5.072 40 0 FKABHN C[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000106013712 222380883 /nfs/dbraw/zinc/38/08/83/222380883.db2.gz NDHOPVCXDQDCPC-RYCFVGSHSA-N 0 3 357.497 5.072 40 0 FKABHN C[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]1(O)Cc1ccccc1 ZINC000106013715 206241940 /nfs/dbraw/zinc/24/19/40/206241940.db2.gz NDHOPVCXDQDCPC-KMAVCZJNSA-N 0 3 357.497 5.072 40 0 FKABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371095 571318864 /nfs/dbraw/zinc/31/88/64/571318864.db2.gz DVFGELBPMWYQMT-SJLPKXTDSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371100 571318904 /nfs/dbraw/zinc/31/89/04/571318904.db2.gz DVFGELBPMWYQMT-AEFFLSMTSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC ZINC000108371260 571318878 /nfs/dbraw/zinc/31/88/78/571318878.db2.gz ACNVLENRHNVGCA-SJLPKXTDSA-N 0 3 361.530 5.169 40 0 FKABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC ZINC000108371265 571318881 /nfs/dbraw/zinc/31/88/81/571318881.db2.gz ACNVLENRHNVGCA-AEFFLSMTSA-N 0 3 361.530 5.169 40 0 FKABHN CCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000113934884 570826115 /nfs/dbraw/zinc/82/61/15/570826115.db2.gz VBTDMEBCFXYILA-UHFFFAOYSA-N 0 3 370.496 5.060 40 0 FKABHN Brc1ccccc1-c1nc2cc(CN3CCCCC3)ccc2o1 ZINC000216827044 571147921 /nfs/dbraw/zinc/14/79/21/571147921.db2.gz PFTBPKBJUXBRAH-UHFFFAOYSA-N 0 3 371.278 5.243 40 0 FKABHN Brc1cccc(-c2nc3cc(CN4CCCCC4)ccc3o2)c1 ZINC000216840689 571149131 /nfs/dbraw/zinc/14/91/31/571149131.db2.gz WBVXZANTXHYUBH-UHFFFAOYSA-N 0 3 371.278 5.243 40 0 FKABHN CC1CCN(Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)CC1 ZINC000222791861 568563335 /nfs/dbraw/zinc/56/33/35/568563335.db2.gz YFLRSAQDRJRFEK-UHFFFAOYSA-N 0 3 372.512 5.002 40 0 FKABHN CC1CCN(Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)CC1 ZINC000222868441 568574128 /nfs/dbraw/zinc/57/41/28/568574128.db2.gz XOZXDWPQOROJQU-UHFFFAOYSA-N 0 3 372.512 5.002 40 0 FKABHN Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C ZINC000223437806 568655102 /nfs/dbraw/zinc/65/51/02/568655102.db2.gz ZCESURGGJROXQC-HXUWFJFHSA-N 0 3 364.533 5.089 40 0 FKABHN Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C ZINC000223437856 568655134 /nfs/dbraw/zinc/65/51/34/568655134.db2.gz ZCESURGGJROXQC-FQEVSTJZSA-N 0 3 364.533 5.089 40 0 FKABHN O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCCC2)cc1 ZINC000224094532 570976985 /nfs/dbraw/zinc/97/69/85/570976985.db2.gz PXTWRFBWWZBPDM-UHFFFAOYSA-N 0 3 370.452 5.434 40 0 FKABHN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(CN2CCCCC2)cc1 ZINC000224096351 570977076 /nfs/dbraw/zinc/97/70/76/570977076.db2.gz PPJGPFPLZVFBRT-UHFFFAOYSA-N 0 3 370.496 5.177 40 0 FKABHN Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000227551417 571278628 /nfs/dbraw/zinc/27/86/28/571278628.db2.gz SQVXINVALFBTPV-QZMQVMSPSA-N 0 3 360.501 5.378 40 0 FKABHN CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1C ZINC000245380467 520125341 /nfs/dbraw/zinc/12/53/41/520125341.db2.gz ZOERYLZCLDLETJ-DTVDEITCSA-N 0 3 365.561 6.046 40 0 FKABHN CCCCCCC1(O)[C@H](C)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1C ZINC000245380468 519961895 /nfs/dbraw/zinc/96/18/95/519961895.db2.gz ZOERYLZCLDLETJ-FAYOUJPWSA-N 0 3 365.561 6.046 40 0 FKABHN CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1C ZINC000245380469 520125290 /nfs/dbraw/zinc/12/52/90/520125290.db2.gz ZOERYLZCLDLETJ-IFMRQQRSSA-N 0 3 365.561 6.046 40 0 FKABHN CCCCCC[C@@]1(O)[C@H](C)[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1C ZINC000245380470 520125619 /nfs/dbraw/zinc/12/56/19/520125619.db2.gz ZOERYLZCLDLETJ-YFUZDLCXSA-N 0 3 365.561 6.046 40 0 FKABHN CCCC[C@@H](CC)CN1CN2CN(C[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC000255988500 571318166 /nfs/dbraw/zinc/31/81/66/571318166.db2.gz MSJBLPVXRJMJSY-ZBYYUNFXSA-N 0 3 351.623 5.026 40 0 in-man FKABHN Clc1ccc2c(c1)NCC21CN(C(c2ccccc2)c2ccccc2)C1 ZINC000306145897 223114586 /nfs/dbraw/zinc/11/45/86/223114586.db2.gz UZMSQPPBYNNZKE-UHFFFAOYSA-N 0 3 360.888 5.109 40 0 FKABHN