smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1CN(CCN(C)C)C(=O)[C@@H]1CC(=O)Nc2ccccc21 ZINC000012238263 204385892 /nfs/dbraw/zinc/38/58/92/204385892.db2.gz UWGJZPYYTPNJIE-GOSISDBHSA-N 0 3 381.476 2.711 40 0 GFABHN CC1CC[NH+](CCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2Cl)CC1 ZINC000038754070 205036687 /nfs/dbraw/zinc/03/66/87/205036687.db2.gz JBBMYKWUWJUUFQ-UHFFFAOYSA-N 0 3 387.933 2.563 40 0 GFABHN Fc1ccc(-c2cc(CNC[C@@H]3COc4ccccc4O3)c3nnnn3c2)cc1 ZINC000072392375 205341221 /nfs/dbraw/zinc/34/12/21/205341221.db2.gz ZGVFUJBFSUKNCD-GOSISDBHSA-N 0 3 391.406 2.860 40 0 GFABHN CN1C[C@H](NCc2cccc(Cl)c2)CCC[C@@H](C(=O)NC2CC2)CC1=O ZINC000096113402 206117552 /nfs/dbraw/zinc/11/75/52/206117552.db2.gz JNHRXOCIWAONRZ-CRAIPNDOSA-N 0 3 377.916 2.725 40 0 biogenic,in-vitro GFABHN Cc1cc(Nc2cc(C3CCN(C(=O)C4(N)CCCCC4)CC3)nc(C)n2)n[nH]1 ZINC000257291135 206173376 /nfs/dbraw/zinc/17/33/76/206173376.db2.gz QFUXLLSBUOSJHZ-UHFFFAOYSA-N 0 3 397.527 2.928 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)N(C)CC2CCN(C)CC2)[C@@H]1c1ccccc1F ZINC000257252192 206166394 /nfs/dbraw/zinc/16/63/94/206166394.db2.gz JTWLHRVSZAIWAB-NQIIRXRSSA-N 0 3 389.515 2.926 40 0 GFABHN Cc1ccc(C(=O)N2CCC[C@@](O)(CN3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000257340295 206182137 /nfs/dbraw/zinc/18/21/37/206182137.db2.gz ZFKDEHROQDYEOR-QHCPKHFHSA-N 0 3 395.503 2.511 40 0 GFABHN Cc1ccc(C(=O)N2CCC[C@](O)(CN3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000257340294 206181238 /nfs/dbraw/zinc/18/12/38/206181238.db2.gz ZFKDEHROQDYEOR-HSZRJFAPSA-N 0 3 395.503 2.511 40 0 GFABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138123 206204684 /nfs/dbraw/zinc/20/46/84/206204684.db2.gz RPVYTRKQMULVPO-AZUAARDMSA-N 0 3 392.927 2.710 40 0 GFABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 ZINC000306140083 206205777 /nfs/dbraw/zinc/20/57/77/206205777.db2.gz UJLUYXZEWQSILU-UHFFFAOYSA-N 0 3 396.539 2.678 40 0 GFABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306128291 206199791 /nfs/dbraw/zinc/19/97/91/206199791.db2.gz GWERWQJIWKHBQV-UHFFFAOYSA-N 0 3 383.471 2.538 40 0 GFABHN O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306130810 206200487 /nfs/dbraw/zinc/20/04/87/206200487.db2.gz JQASEEISFDQSKC-UHFFFAOYSA-N 0 3 394.523 2.574 40 0 GFABHN Cn1c(C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc2cc(F)ccc21 ZINC000019289756 221405237 /nfs/dbraw/zinc/40/52/37/221405237.db2.gz ZVKCUKIJZOUHOO-SFHVURJKSA-N 0 3 379.439 2.730 40 0 GFABHN CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1 ZINC000049155314 560083893 /nfs/dbraw/zinc/08/38/93/560083893.db2.gz AKLZESVJFFKJEF-IBGZPJMESA-N 0 3 391.479 2.820 40 0 biogenic,in-vitro GFABHN Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NCCN(C)C)n1 ZINC000329010064 563469545 /nfs/dbraw/zinc/46/95/45/563469545.db2.gz LYPLIWAPYRHFGS-UHFFFAOYSA-N 0 3 390.329 3.084 40 0 GFABHN CN(C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000329046628 570214975 /nfs/dbraw/zinc/21/49/75/570214975.db2.gz UCLUJDGUOXOCKW-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 ZINC000575404309 570520488 /nfs/dbraw/zinc/52/04/88/570520488.db2.gz LNBWNNCORMCSCB-KRWDZBQOSA-N 0 3 396.491 2.700 40 0 GFABHN CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019021802 570955148 /nfs/dbraw/zinc/95/51/48/570955148.db2.gz UHOYGJLSXARWBP-QGZVFWFLSA-N 0 3 381.455 2.696 40 0 GFABHN CC(=O)OCc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019129282 570958071 /nfs/dbraw/zinc/95/80/71/570958071.db2.gz ZSTMKSHISULAOV-OAHLLOKOSA-N 0 3 383.452 2.656 40 0 GFABHN Cc1cccc(CC(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 ZINC000019234612 570965172 /nfs/dbraw/zinc/96/51/72/570965172.db2.gz FKHFDKLHRWPEJB-LJQANCHMSA-N 0 3 391.519 2.860 40 0 GFABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 ZINC000019497120 570989949 /nfs/dbraw/zinc/98/99/49/570989949.db2.gz WTRUZKVVUMXTPP-LSDHHAIUSA-N 0 3 395.507 2.597 40 0 GFABHN C[C@@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)c2C1 ZINC000019497111 570990029 /nfs/dbraw/zinc/99/00/29/570990029.db2.gz BRDVSACZVFASIP-CQSZACIVSA-N 0 3 395.507 2.597 40 0 GFABHN CCOc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1OC ZINC000019533932 570999879 /nfs/dbraw/zinc/99/98/79/570999879.db2.gz RREZKVXKSNYMBL-BHIFYINESA-N 0 3 396.531 2.956 40 0 GFABHN Cc1cc2cc(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)ccc2o1 ZINC000019709262 571033542 /nfs/dbraw/zinc/03/35/42/571033542.db2.gz ZNQKIUGOGPXQRT-KRWDZBQOSA-N 0 3 393.491 2.840 40 0 GFABHN Cc1c(NC(=O)CN2CCC[C@@H](Cc3nc4ccc(F)cc4[nH]3)C2)cnn1C ZINC000019715578 571037297 /nfs/dbraw/zinc/03/72/97/571037297.db2.gz BEZWNEMGPUYTDM-AWEZNQCLSA-N 0 3 384.459 2.637 40 0 GFABHN CCn1nc([C@@H](C)C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2c1=O ZINC000019716940 571039105 /nfs/dbraw/zinc/03/91/05/571039105.db2.gz YTUMTYITUBODES-MRXNPFEDSA-N 0 3 384.524 2.901 40 0 GFABHN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1cccs1)CCC2 ZINC000096056052 571097965 /nfs/dbraw/zinc/09/79/65/571097965.db2.gz PGZIJXVLHZJGMJ-JXFKEZNVSA-N 0 3 386.521 2.820 40 0 GFABHN CN(C)CCN(Cc1cccnc1)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000012222340 204385179 /nfs/dbraw/zinc/38/51/79/204385179.db2.gz NTFNWULAEHXZPF-UHFFFAOYSA-N 0 3 381.505 2.733 40 0 GFABHN O[C@@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 ZINC000012292571 204389823 /nfs/dbraw/zinc/38/98/23/204389823.db2.gz YTDVWPKJDIMCDL-FQEVSTJZSA-N 0 3 381.472 2.921 40 0 GFABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCCC[NH+]2CCCCCC2)c(Cl)c1 ZINC000038754856 205038388 /nfs/dbraw/zinc/03/83/88/205038388.db2.gz TWCGTCWCHWDVQD-UHFFFAOYSA-N 0 3 387.933 2.707 40 0 GFABHN O=C(c1cc[nH]n1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355191 205332844 /nfs/dbraw/zinc/33/28/44/205332844.db2.gz XWGBNMWZQMJCJL-LJQANCHMSA-N 0 3 375.476 2.622 40 0 GFABHN O=C(c1ccn[nH]1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355191 205332847 /nfs/dbraw/zinc/33/28/47/205332847.db2.gz XWGBNMWZQMJCJL-LJQANCHMSA-N 0 3 375.476 2.622 40 0 GFABHN Cc1cc2sc(NC(=O)C3CN(C(=O)C4CCN(C)CC4)C3)nc2c(C)c1 ZINC000072392061 205342527 /nfs/dbraw/zinc/34/25/27/205342527.db2.gz PSOGSUHJRFTFTI-UHFFFAOYSA-N 0 3 386.521 2.652 40 0 GFABHN CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399209 205344084 /nfs/dbraw/zinc/34/40/84/205344084.db2.gz RLQMQYYSZBJAFA-KBAYOESNSA-N 0 3 386.540 2.720 40 0 GFABHN CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399209 205344086 /nfs/dbraw/zinc/34/40/86/205344086.db2.gz RLQMQYYSZBJAFA-KBAYOESNSA-N 0 3 386.540 2.720 40 0 GFABHN CCN(Cc1c(C)onc1-c1ccccc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257242396 206165320 /nfs/dbraw/zinc/16/53/20/206165320.db2.gz ICHIHKRZXVJKEI-NRFANRHFSA-N 0 3 394.479 2.820 40 0 GFABHN COCCN1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257331154 206179317 /nfs/dbraw/zinc/17/93/17/206179317.db2.gz XRPQAISIBXEUIT-LJQANCHMSA-N 0 3 376.526 2.580 40 0 GFABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(CC1CC1)C[C@H]2c1cccnc1 ZINC000306140244 206204596 /nfs/dbraw/zinc/20/45/96/206204596.db2.gz UNVDHILINJPFTH-FPOVZHCZSA-N 0 3 383.517 2.750 40 0 GFABHN O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2cccc(F)c2)C1 ZINC000306124290 206196421 /nfs/dbraw/zinc/19/64/21/206196421.db2.gz BMCOEOCWSLOGLT-JOCHJYFZSA-N 0 3 376.435 2.992 40 0 GFABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3ccco3)CC2)O1 ZINC000306124826 206197523 /nfs/dbraw/zinc/19/75/23/206197523.db2.gz CAMFJKHBYNKMEX-OAQYLSRUSA-N 0 3 397.519 2.603 40 0 GFABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306125900 206197760 /nfs/dbraw/zinc/19/77/60/206197760.db2.gz DFDLGRGLDMYOGS-GMAHTHKFSA-N 0 3 395.478 2.828 40 0 GFABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)n1 ZINC000306138724 206204286 /nfs/dbraw/zinc/20/42/86/206204286.db2.gz SFUASXMBNIUGOK-DLBZAZTESA-N 0 3 388.475 2.538 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccncc2)n1 ZINC000329004757 570211401 /nfs/dbraw/zinc/21/14/01/570211401.db2.gz KSWZSNUULYRDGR-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN COc1cc2c(cc1OC)CN(c1cc(NCCN(C)C)nc(C3CC3)n1)CC2 ZINC000329043077 570214528 /nfs/dbraw/zinc/21/45/28/570214528.db2.gz SQWGEPPDELHESI-UHFFFAOYSA-N 0 3 397.523 2.907 40 0 GFABHN CNCC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262975 570231119 /nfs/dbraw/zinc/23/11/19/570231119.db2.gz SCMVJKPLLRSWHZ-AWEZNQCLSA-N 0 3 383.883 2.975 40 0 GFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1C ZINC000020801249 570281403 /nfs/dbraw/zinc/28/14/03/570281403.db2.gz LLOGGXDSZYYIBL-VQTJNVASSA-N 0 3 391.471 2.760 40 0 GFABHN Cc1ccc(F)cc1CN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531563 570313043 /nfs/dbraw/zinc/31/30/43/570313043.db2.gz PTSFKHLYTOSBPR-GOSISDBHSA-N 0 3 396.528 2.730 40 0 GFABHN COc1ccc(OC)c(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000025224533 570413541 /nfs/dbraw/zinc/41/35/41/570413541.db2.gz UGVOCOSFWOPERG-SFHVURJKSA-N 0 3 393.443 2.649 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261722 570454291 /nfs/dbraw/zinc/45/42/91/570454291.db2.gz OMIFSMXLCBXSCY-DBVUQKKJSA-N 0 3 399.564 2.596 40 0 GFABHN C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CNC3CCCC3)cc2)C1 ZINC000000902196 570514418 /nfs/dbraw/zinc/51/44/18/570514418.db2.gz SCFDMWWQRNYHBU-HNNXBMFYSA-N 0 3 379.526 2.578 40 0 GFABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103277 570931604 /nfs/dbraw/zinc/93/16/04/570931604.db2.gz BHJPOOBGRBCKAV-IBGZPJMESA-N 0 3 398.482 2.759 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@H](O)C4)C3)CC2)cc1F ZINC000585103022 570931765 /nfs/dbraw/zinc/93/17/65/570931765.db2.gz BHGBGFTZRMXRGX-OALUTQOASA-N 0 3 390.499 2.602 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 ZINC000019132712 570958563 /nfs/dbraw/zinc/95/85/63/570958563.db2.gz AXCJTLDZKQPVEQ-ZWKOTPCHSA-N 0 3 394.519 2.913 40 0 GFABHN Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)ccc2n1C ZINC000019286521 570969712 /nfs/dbraw/zinc/96/97/12/570969712.db2.gz FEBBBCGNZZCGSB-HXUWFJFHSA-N 0 3 390.491 2.637 40 0 GFABHN O=C(CN1CCCCCC1)N[C@@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369271 570980645 /nfs/dbraw/zinc/98/06/45/570980645.db2.gz YJJYNOWKHQQMKG-FQEVSTJZSA-N 0 3 394.519 2.923 40 0 GFABHN CCOc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019533004 570999325 /nfs/dbraw/zinc/99/93/25/570999325.db2.gz UCDSBAZYDBOHJQ-FQEVSTJZSA-N 0 3 380.492 2.817 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019551066 571000805 /nfs/dbraw/zinc/00/08/05/571000805.db2.gz CKVRBQAOSFYMPI-SFHVURJKSA-N 0 3 382.464 2.507 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572834 571010699 /nfs/dbraw/zinc/01/06/99/571010699.db2.gz OHJCCJNDANRXCJ-MSOLQXFVSA-N 0 3 396.539 2.635 40 0 GFABHN CN1CCc2nc([C@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 ZINC000019590337 571017352 /nfs/dbraw/zinc/01/73/52/571017352.db2.gz OUDRCGKXRVVLGI-LJQANCHMSA-N 0 3 380.492 2.963 40 0 GFABHN COc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590390 571018220 /nfs/dbraw/zinc/01/82/20/571018220.db2.gz QYZLCXYERKQKQV-GOSISDBHSA-N 0 3 394.519 2.812 40 0 GFABHN Cc1nc(CC(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)n2)cs1 ZINC000019698331 571030879 /nfs/dbraw/zinc/03/08/79/571030879.db2.gz UNBAHOUGOQGNQJ-HXUWFJFHSA-N 0 3 399.564 2.813 40 0 GFABHN CCn1cc(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 ZINC000019710972 571034843 /nfs/dbraw/zinc/03/48/43/571034843.db2.gz OQOJKESJEKFFNS-MRXNPFEDSA-N 0 3 394.523 2.744 40 0 GFABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000039964134 205043849 /nfs/dbraw/zinc/04/38/49/205043849.db2.gz CEARVSORPPHQTH-MRXNPFEDSA-N 0 3 390.399 2.844 40 0 GFABHN CN1CC[C@@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 ZINC000072391677 205341420 /nfs/dbraw/zinc/34/14/20/205341420.db2.gz PXEMKAYINYRYOD-QGZVFWFLSA-N 0 3 384.528 2.722 40 0 GFABHN O=C(NC[C@@H]1COc2ccccc2O1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000225270194 206041475 /nfs/dbraw/zinc/04/14/75/206041475.db2.gz OIXYPIICSNIHBB-LJQANCHMSA-N 0 3 384.451 2.994 40 0 GFABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cn1 ZINC000225915181 206084168 /nfs/dbraw/zinc/08/41/68/206084168.db2.gz QUAJJQXMZONLAZ-UHFFFAOYSA-N 0 3 385.464 2.712 40 0 GFABHN O=C1[C@@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111864 206116544 /nfs/dbraw/zinc/11/65/44/206116544.db2.gz LMOQZLBBVDVTTC-ICSRJNTNSA-N 0 3 379.460 2.629 40 0 biogenic,in-vitro GFABHN CN1CCC(C(=O)N2CCO[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1 ZINC000257215687 206161708 /nfs/dbraw/zinc/16/17/08/206161708.db2.gz CRFIBNDYOAMZRT-LJQANCHMSA-N 0 3 387.455 2.646 40 0 GFABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(-c2cnc(N)nc2)n1 ZINC000257308861 206176948 /nfs/dbraw/zinc/17/69/48/206176948.db2.gz TYMQBFZJQAYOON-TUXJCPBXSA-N 0 3 392.507 2.598 40 0 GFABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(C1CCC1)C[C@@H]2c1cccnc1 ZINC000306141426 206206617 /nfs/dbraw/zinc/20/66/17/206206617.db2.gz VVQFIAMMUKICLE-TZIWHRDSSA-N 0 3 383.517 2.893 40 0 GFABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3ccco3)CC2)O1 ZINC000306124825 206197654 /nfs/dbraw/zinc/19/76/54/206197654.db2.gz CAMFJKHBYNKMEX-NRFANRHFSA-N 0 3 397.519 2.603 40 0 GFABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306128071 206198534 /nfs/dbraw/zinc/19/85/34/206198534.db2.gz GPHRUCIVJDEBJQ-FPOVZHCZSA-N 0 3 383.517 2.750 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306131053 206200881 /nfs/dbraw/zinc/20/08/81/206200881.db2.gz JVIAUTCSXBNKOV-SJORKVTESA-N 0 3 391.450 2.974 40 0 GFABHN COc1ccc(CN2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096050255 136183407 /nfs/dbraw/zinc/18/34/07/136183407.db2.gz OJXLQLMMUMNIBL-QFIPXVFZSA-N 0 3 383.467 2.757 40 0 GFABHN CN1CCC(C(=O)N2CC(C(=O)Nc3ccc(OC4CCCC4)cc3)C2)CC1 ZINC000019747563 570214019 /nfs/dbraw/zinc/21/40/19/570214019.db2.gz TXUMMORTEPRFII-UHFFFAOYSA-N 0 3 385.508 2.747 40 0 GFABHN O=C1N(c2ccc3c(c2)OCO3)CC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096202972 570219121 /nfs/dbraw/zinc/21/91/21/570219121.db2.gz INNPVRINIBCCQH-UHFFFAOYSA-N 0 3 394.427 2.773 40 0 GFABHN CCOCCOc1ccc(CN(C)C[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270182 570239161 /nfs/dbraw/zinc/23/91/61/570239161.db2.gz HUKZRHOWUQCKSQ-QFIPXVFZSA-N 0 3 385.508 2.570 40 0 GFABHN CN(C)C/C=C/C(=O)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 ZINC000585292316 570261607 /nfs/dbraw/zinc/26/16/07/570261607.db2.gz KQAHZMQMMDVGFO-ONEGZZNKSA-N 0 3 386.525 2.576 40 0 GFABHN COc1cc(COC[C@@H](O)CN[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686924 570295198 /nfs/dbraw/zinc/29/51/98/570295198.db2.gz WXONXIJDSQKEMJ-YJBOKZPZSA-N 0 3 375.465 2.941 40 0 GFABHN COC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242538925 570340139 /nfs/dbraw/zinc/34/01/39/570340139.db2.gz JIDSSZFALXRQKC-IPMKNSEASA-N 0 3 395.908 2.880 40 0 GFABHN COc1ccc(C)cc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000025224527 570413707 /nfs/dbraw/zinc/41/37/07/570413707.db2.gz PPJLWGRYQRWFQB-SFHVURJKSA-N 0 3 377.444 2.949 40 0 GFABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257290070 570488650 /nfs/dbraw/zinc/48/86/50/570488650.db2.gz QBLLRXBAYLIGKI-QHCPKHFHSA-N 0 3 393.531 2.966 40 0 GFABHN O=C1CCc2cc(S(=O)(=O)NC3(CN4CCCC4)CCCCC3)ccc2N1 ZINC000012362346 570646270 /nfs/dbraw/zinc/64/62/70/570646270.db2.gz SQYDQAPRCHRRBS-UHFFFAOYSA-N 0 3 391.537 2.648 40 0 GFABHN COc1cc(CN[C@H]2CCCC[C@H]2C)c(Br)cc1OCC(N)=O ZINC000036612921 570885428 /nfs/dbraw/zinc/88/54/28/570885428.db2.gz NPUKXFKRXBBWAV-RISCZKNCSA-N 0 3 385.302 2.990 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019210825 570960394 /nfs/dbraw/zinc/96/03/94/570960394.db2.gz SBIWDTKVUAMUSE-QGZVFWFLSA-N 0 3 394.519 2.946 40 0 GFABHN Cc1cccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019235137 570965377 /nfs/dbraw/zinc/96/53/77/570965377.db2.gz UBMFEUBGOUZGSZ-IBGZPJMESA-N 0 3 380.492 2.952 40 0 GFABHN Cc1cccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019235136 570965614 /nfs/dbraw/zinc/96/56/14/570965614.db2.gz UBMFEUBGOUZGSZ-LJQANCHMSA-N 0 3 380.492 2.952 40 0 GFABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)c2C1 ZINC000019497126 570989845 /nfs/dbraw/zinc/98/98/45/570989845.db2.gz IDEOWRDIRPUADZ-GUYCJALGSA-N 0 3 381.480 2.555 40 0 GFABHN CCOc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019533108 570999822 /nfs/dbraw/zinc/99/98/22/570999822.db2.gz AMJNARZMFLEFDP-SFHVURJKSA-N 0 3 394.519 2.860 40 0 GFABHN CN1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 ZINC000019590394 571017678 /nfs/dbraw/zinc/01/76/78/571017678.db2.gz BXWUTIHUGQVDAL-QGZVFWFLSA-N 0 3 382.483 2.942 40 0 GFABHN Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)c1 ZINC000019710997 571034577 /nfs/dbraw/zinc/03/45/77/571034577.db2.gz XRGVXBPEKKQLJD-KRWDZBQOSA-N 0 3 397.523 2.596 40 0 GFABHN COc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc2c1OCO2 ZINC000012089075 204371262 /nfs/dbraw/zinc/37/12/62/204371262.db2.gz VFDMEHRACQXZFG-AQKKSAQBSA-N 0 3 382.460 2.939 40 0 GFABHN COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1 ZINC000012181004 204378815 /nfs/dbraw/zinc/37/88/15/204378815.db2.gz GDLZXWLUADCOAV-AQKKSAQBSA-N 0 3 399.491 2.622 40 0 GFABHN O[C@H]1CC[C@@H](Cc2cc(-c3ccccc3)on2)O[C@@H]1CNCc1cccnc1 ZINC000077262895 205036077 /nfs/dbraw/zinc/03/60/77/205036077.db2.gz SMIWJKGOKVPEJR-JAXLGGSGSA-N 0 3 379.460 2.977 40 0 biogenic,in-vitro GFABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc2c(c1)OCO2 ZINC000039964135 205044280 /nfs/dbraw/zinc/04/42/80/205044280.db2.gz CEARVSORPPHQTH-INIZCTEOSA-N 0 3 390.399 2.844 40 0 GFABHN COC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 ZINC000225901552 206083564 /nfs/dbraw/zinc/08/35/64/206083564.db2.gz MNZJUSUFFPHZGL-WIYYLYMNSA-N 0 3 394.471 2.866 40 0 GFABHN Cc1c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)sc2ncn(C)c(=O)c12 ZINC000257200417 206156973 /nfs/dbraw/zinc/15/69/73/206156973.db2.gz ADFYYJVTBKJHLG-XOBRGWDASA-N 0 3 388.537 2.782 40 0 GFABHN CC[C@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(OC)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257206126 206158762 /nfs/dbraw/zinc/15/87/62/206158762.db2.gz BBYYSLGYQMQCHN-DMXCXFHSSA-N 0 3 388.508 2.898 40 0 GFABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000257306306 206177173 /nfs/dbraw/zinc/17/71/73/206177173.db2.gz STTPRSHOYRFTAT-QHCPKHFHSA-N 0 3 397.519 2.595 40 0 GFABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140246 206204538 /nfs/dbraw/zinc/20/45/38/206204538.db2.gz UNVDHILINJPFTH-TZIWHRDSSA-N 0 3 383.517 2.750 40 0 GFABHN O=C(COc1ccccc1)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306143352 206207482 /nfs/dbraw/zinc/20/74/82/206207482.db2.gz XZZJACVFRWWJGY-GGAORHGYSA-N 0 3 395.503 2.790 40 0 GFABHN CC(=O)N1CCOC[C@]2(CC[C@H](CNCc3ccccc3C(F)(F)F)O2)C1 ZINC000306124988 206196677 /nfs/dbraw/zinc/19/66/77/206196677.db2.gz CDWVVCPGVMMEBC-AEFFLSMTSA-N 0 3 386.414 2.592 40 0 GFABHN O=C(NCc1cccnc1)c1ncc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000306129122 206199595 /nfs/dbraw/zinc/19/95/95/206199595.db2.gz HVCBCEUSPKROKP-IEBWSBKVSA-N 0 3 391.450 2.576 40 0 GFABHN O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 ZINC000306135660 206202455 /nfs/dbraw/zinc/20/24/55/206202455.db2.gz OXBQXWISQVGJQT-UHFFFAOYSA-N 0 3 394.523 2.574 40 0 GFABHN NC[C@@]1(CO)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529768 553054046 /nfs/dbraw/zinc/05/40/46/553054046.db2.gz NSDWPWFPWWQESM-YESZJQIVSA-N 0 3 386.300 2.871 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccncc2)n1 ZINC000329022155 570213417 /nfs/dbraw/zinc/21/34/17/570213417.db2.gz OLGLBVXIIWGLLV-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN C[C@H](O)c1ccc2c(c1)CCN(c1cc(NCCN(C)C)nc(C3CC3)n1)C2 ZINC000329071800 570216916 /nfs/dbraw/zinc/21/69/16/570216916.db2.gz ZSUDXQOEFSYQAW-HNNXBMFYSA-N 0 3 381.524 2.944 40 0 GFABHN Cn1nc(C(=O)N2CCC[C@]3(C2)COCCN(CC2CC2)C3)c2ccccc21 ZINC000096228792 570221401 /nfs/dbraw/zinc/22/14/01/570221401.db2.gz RXKIBWDDAYBQNB-QFIPXVFZSA-N 0 3 382.508 2.538 40 0 GFABHN Cc1noc(C)c1CN1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244250 570223534 /nfs/dbraw/zinc/22/35/34/570223534.db2.gz POMVQNIOTSQTOU-OAQYLSRUSA-N 0 3 377.448 2.817 40 0 GFABHN COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000031075439 570502617 /nfs/dbraw/zinc/50/26/17/570502617.db2.gz VBNIOGMKZUVGAX-UHFFFAOYSA-N 0 3 390.505 2.778 40 0 GFABHN CCN1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101370364 570715316 /nfs/dbraw/zinc/71/53/16/570715316.db2.gz FIYSNFKLNQPDMP-CEXWTWQISA-N 0 3 396.535 2.803 40 0 GFABHN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2C)c(C)c1 ZINC000010111640 570781979 /nfs/dbraw/zinc/78/19/79/570781979.db2.gz WGGOHHXSXPMLIE-UHFFFAOYSA-N 0 3 389.521 2.704 40 0 GFABHN COc1ccc(CN2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100262 570923864 /nfs/dbraw/zinc/92/38/64/570923864.db2.gz JDRQVBWUEDYOCU-HSZRJFAPSA-N 0 3 399.535 2.665 40 0 GFABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CN3CC3CCCCC3)C2)c1 ZINC000585107895 570939790 /nfs/dbraw/zinc/93/97/90/570939790.db2.gz CQQMRIZIHURUTE-FXAWDEMLSA-N 0 3 378.538 2.970 40 0 GFABHN Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019236042 570966582 /nfs/dbraw/zinc/96/65/82/570966582.db2.gz LFBDPYHAELTWKF-GOSISDBHSA-N 0 3 394.519 2.866 40 0 GFABHN COc1cccc(CN2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC ZINC000019239186 570968420 /nfs/dbraw/zinc/96/84/20/570968420.db2.gz SLPMWGBHFGUDMX-HNNXBMFYSA-N 0 3 381.436 2.842 40 0 GFABHN Cc1nc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)ccc2n1C ZINC000019286519 570969579 /nfs/dbraw/zinc/96/95/79/570969579.db2.gz FEBBBCGNZZCGSB-FQEVSTJZSA-N 0 3 390.491 2.637 40 0 GFABHN O=C(Nc1ccccc1CN1CCCCCC1)c1cc2ncc(CCO)cn2n1 ZINC000019349117 570978810 /nfs/dbraw/zinc/97/88/10/570978810.db2.gz OLYFFRQMLNCJMS-UHFFFAOYSA-N 0 3 393.491 2.892 40 0 GFABHN CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)[nH]n1 ZINC000019447407 570984276 /nfs/dbraw/zinc/98/42/76/570984276.db2.gz YAXULIYNOJXTMZ-IBGZPJMESA-N 0 3 382.512 2.754 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3F)[n-]c(=O)c2C1 ZINC000019448299 570984946 /nfs/dbraw/zinc/98/49/46/570984946.db2.gz HPFMJTIDJJHBJI-GOSISDBHSA-N 0 3 384.455 2.653 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3F)[n-]c(=O)c2C1 ZINC000019448299 570984948 /nfs/dbraw/zinc/98/49/48/570984948.db2.gz HPFMJTIDJJHBJI-GOSISDBHSA-N 0 3 384.455 2.653 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)c1 ZINC000019551064 571000837 /nfs/dbraw/zinc/00/08/37/571000837.db2.gz CKVRBQAOSFYMPI-GOSISDBHSA-N 0 3 382.464 2.507 40 0 GFABHN COc1ccc(C[N@@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560834 571005542 /nfs/dbraw/zinc/00/55/42/571005542.db2.gz YQLRXRUOAUIFNF-KRWDZBQOSA-N 0 3 392.459 2.839 40 0 GFABHN COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560834 571005544 /nfs/dbraw/zinc/00/55/44/571005544.db2.gz YQLRXRUOAUIFNF-KRWDZBQOSA-N 0 3 392.459 2.839 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019572956 571010775 /nfs/dbraw/zinc/01/07/75/571010775.db2.gz RAUMBXGHZARRDO-ROUUACIJSA-N 0 3 396.539 2.635 40 0 GFABHN CN(C)c1cccc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 ZINC000019590695 571018654 /nfs/dbraw/zinc/01/86/54/571018654.db2.gz PTXHRILZJVERMV-UHFFFAOYSA-N 0 3 379.508 2.550 40 0 GFABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@@H]3COCCO3)cc12 ZINC000012186383 204380302 /nfs/dbraw/zinc/38/03/02/204380302.db2.gz KLYHFBZALZIBIE-QGZVFWFLSA-N 0 3 396.491 2.516 40 0 GFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000225618553 206060020 /nfs/dbraw/zinc/06/00/20/206060020.db2.gz FCUDICJRXRDPNG-INIZCTEOSA-N 0 3 382.526 2.715 40 0 GFABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)n2)C1 ZINC000257223143 206161258 /nfs/dbraw/zinc/16/12/58/206161258.db2.gz DWBXVHIFKXNJJW-AWEZNQCLSA-N 0 3 395.554 2.966 40 0 GFABHN O=C(c1cc(C2CC2)on1)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306126819 206197899 /nfs/dbraw/zinc/19/78/99/206197899.db2.gz FGBOWWCWZXPYSO-IFMALSPDSA-N 0 3 396.491 2.891 40 0 GFABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 ZINC000306130210 206199256 /nfs/dbraw/zinc/19/92/56/206199256.db2.gz IZGQVHIIAJSYKL-UHFFFAOYSA-N 0 3 385.537 2.708 40 0 GFABHN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000306130013 206199775 /nfs/dbraw/zinc/19/97/75/206199775.db2.gz ITYQRUFEZCBNLH-MRXNPFEDSA-N 0 3 381.455 2.950 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306131087 206201358 /nfs/dbraw/zinc/20/13/58/206201358.db2.gz JWDBWYNCCMBXFT-UONOGXRCSA-N 0 3 381.411 2.567 40 0 GFABHN NCC1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218473807 553053802 /nfs/dbraw/zinc/05/38/02/553053802.db2.gz KVUJHVCOAZYBNB-CVEARBPZSA-N 0 3 385.316 2.837 40 0 GFABHN CN(C)CCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccccn2)n1 ZINC000329017482 570212689 /nfs/dbraw/zinc/21/26/89/570212689.db2.gz NMQWNCPKIQMGQA-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN Cn1nc(C(=O)N2CCC[C@@]3(C2)COCCN(CC2CC2)C3)c2ccccc21 ZINC000096228793 570221429 /nfs/dbraw/zinc/22/14/29/570221429.db2.gz RXKIBWDDAYBQNB-JOCHJYFZSA-N 0 3 382.508 2.538 40 0 GFABHN Cc1cc(C)cc(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1 ZINC000585288073 570258999 /nfs/dbraw/zinc/25/89/99/570258999.db2.gz VLYMCZNCUOEMGC-UNMCSNQZSA-N 0 3 377.525 2.565 40 0 GFABHN Cc1cccnc1Nc1cc(C[C@@H]2CCCN(C(=O)/C=C/CN(C)C)C2)ncn1 ZINC000585291280 570259822 /nfs/dbraw/zinc/25/98/22/570259822.db2.gz ANPJWAKIEZEGLZ-YOCVDRLZSA-N 0 3 394.523 2.823 40 0 GFABHN Cc1cccc(Nc2cc(C[C@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)n1 ZINC000585292018 570261028 /nfs/dbraw/zinc/26/10/28/570261028.db2.gz IGQJCHQDGOCJLG-WGLAMXGCSA-N 0 3 394.523 2.823 40 0 GFABHN CCOC(=O)C1C(CN2CCC[C@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000057731187 570371735 /nfs/dbraw/zinc/37/17/35/570371735.db2.gz CFUBRAONLUWDQV-IFXJQAMLSA-N 0 3 387.480 2.598 40 0 GFABHN CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc21 ZINC000222801521 570426365 /nfs/dbraw/zinc/42/63/65/570426365.db2.gz MRDZBUNXMYRITP-UHFFFAOYSA-N 0 3 393.553 2.530 40 0 GFABHN CCCN1C[C@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364772 570646733 /nfs/dbraw/zinc/64/67/33/570646733.db2.gz KFOYXHFCBZKNLV-UXHICEINSA-N 0 3 396.487 2.961 40 0 GFABHN COc1cc(OC)cc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000008215713 570765389 /nfs/dbraw/zinc/76/53/89/570765389.db2.gz HAKZDLGABUKOFJ-HXUWFJFHSA-N 0 3 393.443 2.649 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1F ZINC000585103018 570931653 /nfs/dbraw/zinc/93/16/53/570931653.db2.gz BHGBGFTZRMXRGX-MOPGFXCFSA-N 0 3 390.499 2.602 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CCC(O)CC4)C3)CC2)cc1F ZINC000585104599 570933500 /nfs/dbraw/zinc/93/35/00/570933500.db2.gz RAVUGLDNRRTFMI-LJQANCHMSA-N 0 3 390.499 2.602 40 0 GFABHN COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109796 570938733 /nfs/dbraw/zinc/93/87/33/570938733.db2.gz VDCVYPRRYNTXRO-JAXLGGSGSA-N 0 3 384.451 2.737 40 0 GFABHN O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019014526 570954165 /nfs/dbraw/zinc/95/41/65/570954165.db2.gz IFKPUVIUSVTEBX-MRXNPFEDSA-N 0 3 384.524 2.577 40 0 GFABHN O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019014526 570954166 /nfs/dbraw/zinc/95/41/66/570954166.db2.gz IFKPUVIUSVTEBX-MRXNPFEDSA-N 0 3 384.524 2.577 40 0 GFABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019078495 570955800 /nfs/dbraw/zinc/95/58/00/570955800.db2.gz RPDOHJNRDBCLNW-HZPDHXFCSA-N 0 3 398.482 2.777 40 0 GFABHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019499440 570992165 /nfs/dbraw/zinc/99/21/65/570992165.db2.gz UCKNEPMFCDSGBT-QZTJIDSGSA-N 0 3 384.455 2.783 40 0 GFABHN CCN1CCN(CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000019528194 570998134 /nfs/dbraw/zinc/99/81/34/570998134.db2.gz OBVTZGGLTZYQLP-UHFFFAOYSA-N 0 3 393.495 2.633 40 0 GFABHN CCOc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019532823 570999330 /nfs/dbraw/zinc/99/93/30/570999330.db2.gz YIFGGZYBIJEEME-UHFFFAOYSA-N 0 3 394.519 2.812 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183590 571000573 /nfs/dbraw/zinc/00/05/73/571000573.db2.gz FLZNCXPRNXREOT-HXUWFJFHSA-N 0 3 379.504 2.552 40 0 GFABHN CCCN1CCN(C(=O)CNC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183592 571000622 /nfs/dbraw/zinc/00/06/22/571000622.db2.gz GKHNCHDOFSQMTO-OAQYLSRUSA-N 0 3 393.531 2.813 40 0 GFABHN COc1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552206 571001280 /nfs/dbraw/zinc/00/12/80/571001280.db2.gz JEBWQWJFFQZYIR-QGZVFWFLSA-N 0 3 392.459 2.839 40 0 GFABHN COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1C ZINC000019571077 571009636 /nfs/dbraw/zinc/00/96/36/571009636.db2.gz LPMSWQCTNDCYDD-UHFFFAOYSA-N 0 3 394.519 2.730 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n1 ZINC000019572728 571010608 /nfs/dbraw/zinc/01/06/08/571010608.db2.gz WKWUZCRYGOZGCC-KRWDZBQOSA-N 0 3 396.539 2.635 40 0 GFABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCN1CCOCC1 ZINC000019590178 571016995 /nfs/dbraw/zinc/01/69/95/571016995.db2.gz QDDOWJWSEWKEEQ-CQOQZXRMSA-N 0 3 399.579 2.968 40 0 GFABHN c1ccc2[nH]c(C[C@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 ZINC000019657873 571024547 /nfs/dbraw/zinc/02/45/47/571024547.db2.gz RDBMPZKJVUTKEL-QGZVFWFLSA-N 0 3 392.507 2.644 40 0 GFABHN Cc1nc(CN2CCN(C)C3(CCN(Cc4ccsc4)CC3)C2=O)cs1 ZINC000096050104 571097108 /nfs/dbraw/zinc/09/71/08/571097108.db2.gz IKRXBDQOKAGCFZ-UHFFFAOYSA-N 0 3 390.578 2.822 40 0 GFABHN CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)Nc2cc(C)on2)CC1 ZINC000004580354 204054590 /nfs/dbraw/zinc/05/45/90/204054590.db2.gz COQALBCHIFJTBO-UHFFFAOYSA-N 0 3 385.464 2.909 40 0 GFABHN CCN(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(=O)OCc1ccccc1 ZINC000079413354 205061148 /nfs/dbraw/zinc/06/11/48/205061148.db2.gz RXXVEHRWLHXGSU-IBGZPJMESA-N 0 3 375.513 2.867 40 0 GFABHN CCN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079393318 205061370 /nfs/dbraw/zinc/06/13/70/205061370.db2.gz DBYWCRSHESOZFO-OALUTQOASA-N 0 3 375.513 2.867 40 0 GFABHN COc1cc2c(cc1S(=O)(=O)NCCCN1CCC(C)CC1)CCCC2 ZINC000225848630 206081071 /nfs/dbraw/zinc/08/10/71/206081071.db2.gz OWINUQSZYLQHAS-UHFFFAOYSA-N 0 3 380.554 2.974 40 0 GFABHN CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCN[C@@H](C)C3)c(F)cc2c1=O ZINC000034165940 206099877 /nfs/dbraw/zinc/09/98/77/206099877.db2.gz GYZIKBVCDQFOAS-NSHDSACASA-N 0 3 391.418 2.589 40 0 GFABHN CCNC(=O)NC[C@H]1CC[C@]2(COCCN(CC[C@H](C)c3ccc(C)o3)C2)O1 ZINC000306140747 206205731 /nfs/dbraw/zinc/20/57/31/206205731.db2.gz VDBFUCMHONFVSL-CDXJDZJCSA-N 0 3 393.528 2.651 40 0 GFABHN CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306125393 206196174 /nfs/dbraw/zinc/19/61/74/206196174.db2.gz COUZUQDGJBPGEU-UHFFFAOYSA-N 0 3 385.487 2.784 40 0 GFABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306128073 206199738 /nfs/dbraw/zinc/19/97/38/206199738.db2.gz GPHRUCIVJDEBJQ-TZIWHRDSSA-N 0 3 383.517 2.750 40 0 GFABHN CN(C)C(=O)[C@]12CN(Cc3cccc(Cl)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251157 136185678 /nfs/dbraw/zinc/18/56/78/136185678.db2.gz ICGWCGNKOMVNGH-WIYYLYMNSA-N 0 3 399.926 2.689 40 0 GFABHN COc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000105331219 533997409 /nfs/dbraw/zinc/99/74/09/533997409.db2.gz WLVUQSJTGVXEDH-HXUWFJFHSA-N 0 3 377.444 2.949 40 0 GFABHN CSc1ccccc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000329042583 570214488 /nfs/dbraw/zinc/21/44/88/570214488.db2.gz SOKIJPMBZFDFDB-UHFFFAOYSA-N 0 3 380.521 2.821 40 0 GFABHN CC(C)c1ccc(CN2CC[C@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 ZINC000096225592 570220506 /nfs/dbraw/zinc/22/05/06/570220506.db2.gz IZJNOFFGHOJYAE-QHCPKHFHSA-N 0 3 398.551 2.743 40 0 GFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000020105644 570239736 /nfs/dbraw/zinc/23/97/36/570239736.db2.gz BDPYAAFNWLNOJI-SFHVURJKSA-N 0 3 382.526 2.547 40 0 GFABHN CC(=O)N1CCN(C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585284692 570253891 /nfs/dbraw/zinc/25/38/91/570253891.db2.gz ZAAOSVBDEFTKMS-OAQYLSRUSA-N 0 3 378.488 2.823 40 0 GFABHN COCC(=O)N[C@H]1[C@H](c2ccccc2)N(CCCc2ccccc2)CC[C@@]1(C)O ZINC000604382370 570353490 /nfs/dbraw/zinc/35/34/90/570353490.db2.gz PLPVTHQDPLTIIS-KMDXXIMOSA-N 0 3 396.531 2.948 40 0 biogenic,in-vitro GFABHN O=C(NC1CCCCC1)NC1(C(=O)N2CCN3CCC[C@H]3C2)CCCCC1 ZINC000004356358 570421293 /nfs/dbraw/zinc/42/12/93/570421293.db2.gz NYYWDZXFMPIOHW-SFHVURJKSA-N 0 3 376.545 2.628 40 0 GFABHN COc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2cnc(N(C)C)nc2)C3)cc1 ZINC000012361658 570645711 /nfs/dbraw/zinc/64/57/11/570645711.db2.gz VKAVXIZDPXYJMJ-QIDMFYOTSA-N 0 3 382.508 2.671 40 0 GFABHN CCN1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101370362 570715476 /nfs/dbraw/zinc/71/54/76/570715476.db2.gz FIYSNFKLNQPDMP-OTWHNJEPSA-N 0 3 396.535 2.803 40 0 GFABHN Cc1cccc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103669 570929249 /nfs/dbraw/zinc/92/92/49/570929249.db2.gz IAJKDPGQRAJEKT-HLAWJBBLSA-N 0 3 386.536 2.709 40 0 GFABHN COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cc(OC)ccc3F)C[C@@H]21 ZINC000585109615 570938243 /nfs/dbraw/zinc/93/82/43/570938243.db2.gz FBXCBGHQAKJEAF-CNNODRBYSA-N 0 3 384.451 2.867 40 0 GFABHN COc1cc(C)ccc1OCC(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019134320 570958373 /nfs/dbraw/zinc/95/83/73/570958373.db2.gz HQWOADNYNBSEJQ-SFHVURJKSA-N 0 3 396.491 2.572 40 0 GFABHN CC(C)CN1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019447195 570984575 /nfs/dbraw/zinc/98/45/75/570984575.db2.gz OVIIRBADKTYCMM-LJQANCHMSA-N 0 3 384.528 2.726 40 0 GFABHN CCn1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523943 570996438 /nfs/dbraw/zinc/99/64/38/570996438.db2.gz YYGCXNQRHMSLEF-KRWDZBQOSA-N 0 3 384.528 2.665 40 0 GFABHN CCn1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523943 570996440 /nfs/dbraw/zinc/99/64/40/570996440.db2.gz YYGCXNQRHMSLEF-KRWDZBQOSA-N 0 3 384.528 2.665 40 0 GFABHN CCCn1nc(C)c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1C ZINC000019525849 570997439 /nfs/dbraw/zinc/99/74/39/570997439.db2.gz RAMPQOGQPNYVNZ-FDFHNCONSA-N 0 3 382.552 2.772 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183572 571000748 /nfs/dbraw/zinc/00/07/48/571000748.db2.gz BXEBAFWXIBAZNJ-NRFANRHFSA-N 0 3 379.504 2.552 40 0 GFABHN Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556139 571003526 /nfs/dbraw/zinc/00/35/26/571003526.db2.gz NKJCJEADZXZPHI-ORAYPTAESA-N 0 3 382.512 2.559 40 0 GFABHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019581447 571013602 /nfs/dbraw/zinc/01/36/02/571013602.db2.gz XWSGQKKUKXVFSU-HXUWFJFHSA-N 0 3 393.466 2.957 40 0 GFABHN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019593567 571019781 /nfs/dbraw/zinc/01/97/81/571019781.db2.gz QFZAPTSLCGOJTQ-KRWDZBQOSA-N 0 3 394.475 2.979 40 0 GFABHN O=C(N1CCC(c2nnc3n2CCNCC3)CC1)C1(c2ccccc2)CCCC1 ZINC000019709447 571034296 /nfs/dbraw/zinc/03/42/96/571034296.db2.gz VDPRPFQOALUNIS-UHFFFAOYSA-N 0 3 393.535 2.642 40 0 GFABHN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCn2c(nnc2[C@H]2CCCN(C)C2)C1 ZINC000019710991 571034634 /nfs/dbraw/zinc/03/46/34/571034634.db2.gz PSQIZKMVIHAZAX-AWEZNQCLSA-N 0 3 396.470 2.672 40 0 GFABHN CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096036767 571096340 /nfs/dbraw/zinc/09/63/40/571096340.db2.gz VKOPYHNKXFWKMH-KRWDZBQOSA-N 0 3 388.537 2.607 40 0 GFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 ZINC000006517664 204183195 /nfs/dbraw/zinc/18/31/95/204183195.db2.gz LFZYMXVDMLWXDM-UHFFFAOYSA-N 0 3 382.533 2.884 40 0 GFABHN CC(=O)N1CCc2cc([C@@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012146648 204376008 /nfs/dbraw/zinc/37/60/08/204376008.db2.gz NGRQSZLYZPFODB-QFIPXVFZSA-N 0 3 398.478 2.752 40 0 GFABHN Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(Cc1ccccc1)CC2 ZINC000012158350 204376675 /nfs/dbraw/zinc/37/66/75/204376675.db2.gz WFCAVMYUTVKPKP-UHFFFAOYSA-N 0 3 394.519 2.559 40 0 GFABHN Cc1nnc(SCC(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)o1 ZINC000012337257 204399688 /nfs/dbraw/zinc/39/96/88/204399688.db2.gz NTERSHIWVFVFHM-UHFFFAOYSA-N 0 3 386.521 2.783 40 0 GFABHN COc1ccc([C@@H](O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000012188399 204379445 /nfs/dbraw/zinc/37/94/45/204379445.db2.gz AAGWMJJXSISQLQ-FQEVSTJZSA-N 0 3 398.503 2.865 40 0 GFABHN CCOc1cc(CN2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)ccc1O ZINC000012275491 204388058 /nfs/dbraw/zinc/38/80/58/204388058.db2.gz MKBYGCBZKBBJCS-KRWDZBQOSA-N 0 3 394.479 2.752 40 0 GFABHN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCN(C)C)cc2Cl)cc1 ZINC000020494295 204723150 /nfs/dbraw/zinc/72/31/50/204723150.db2.gz WXHPWQOKFYFAPW-UHFFFAOYSA-N 0 3 395.912 2.741 40 0 GFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000044948586 205090860 /nfs/dbraw/zinc/09/08/60/205090860.db2.gz IHWJLTHAMFANQE-KRWDZBQOSA-N 0 3 393.553 2.746 40 0 GFABHN Cc1ccc([C@@H](C)CCN2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)o1 ZINC000247892784 206136089 /nfs/dbraw/zinc/13/60/89/206136089.db2.gz GGFJRLASEJGKRN-CZTZKLFOSA-N 0 3 392.540 2.664 40 0 GFABHN Cc1noc(C)c1-c1cncc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 ZINC000257231952 206162103 /nfs/dbraw/zinc/16/21/03/206162103.db2.gz GIUZAPSXUQHAEG-KRWDZBQOSA-N 0 3 397.523 2.871 40 0 GFABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257301129 206175633 /nfs/dbraw/zinc/17/56/33/206175633.db2.gz RXCPTDUMTOKJDV-AWEZNQCLSA-N 0 3 378.473 2.868 40 0 GFABHN CN(C)CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 ZINC000257320756 206177733 /nfs/dbraw/zinc/17/77/33/206177733.db2.gz VYMDLHTVODXTDT-UHFFFAOYSA-N 0 3 385.483 2.905 40 0 GFABHN CC(=O)N[C@]12CN(Cc3ccccc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257275841 206170925 /nfs/dbraw/zinc/17/09/25/206170925.db2.gz NREFPMQDBKDQCR-WXFUMESZSA-N 0 3 391.515 2.987 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306124013 206197271 /nfs/dbraw/zinc/19/72/71/206197271.db2.gz BDBPGRQWSJNXBW-CABCVRRESA-N 0 3 385.899 2.518 40 0 GFABHN Fc1ccc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131808 206201157 /nfs/dbraw/zinc/20/11/57/206201157.db2.gz KQAVRXRYFIRLOA-KRWDZBQOSA-N 0 3 381.455 2.695 40 0 GFABHN C[NH+](C)Cc1ccc(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1 ZINC000012122591 221156008 /nfs/dbraw/zinc/15/60/08/221156008.db2.gz UADJCHPVINUKJR-UHFFFAOYSA-N 0 3 375.476 2.864 40 0 GFABHN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)c1OC ZINC000073257550 222268382 /nfs/dbraw/zinc/26/83/82/222268382.db2.gz CKUCWPTUZQKDGP-RHZWSATBSA-N 0 3 387.432 2.501 40 0 GFABHN COCC(=O)N[C@H]1[C@H](c2cccs2)N(CC2CCCCC2)CC[C@@]1(C)O ZINC000514289703 560031780 /nfs/dbraw/zinc/03/17/80/560031780.db2.gz BPWUVHNKJYJBAX-SLFFLAALSA-N 0 3 380.554 2.957 40 0 biogenic,in-vitro GFABHN Cn1c2cc(C(=O)NCCN3CCCC3)n(-c3ncccn3)c2c2ccccc21 ZINC000096146318 570213788 /nfs/dbraw/zinc/21/37/88/570213788.db2.gz ZEBSRPHNXNBFJH-UHFFFAOYSA-N 0 3 388.475 2.738 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2cccnc2)n1 ZINC000329047102 570214817 /nfs/dbraw/zinc/21/48/17/570214817.db2.gz UETKWSAJUVWZLJ-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329068265 570216324 /nfs/dbraw/zinc/21/63/24/570216324.db2.gz YNVATMSYVPJMSX-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN CN(C)CCNC(=O)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 ZINC000096154847 570216637 /nfs/dbraw/zinc/21/66/37/570216637.db2.gz XMLCMLUOIZEXAM-UHFFFAOYSA-N 0 3 392.488 2.811 40 0 GFABHN Cc1ccc(CN2CCOC[C@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240540 570222196 /nfs/dbraw/zinc/22/21/96/570222196.db2.gz WTKUHAUXRWMBPI-XLIONFOSSA-N 0 3 388.537 2.875 40 0 GFABHN O[C@@]1(CNCc2ccc(OCc3ccccn3)cc2)CCN(c2ccccn2)C1 ZINC000585271286 570239607 /nfs/dbraw/zinc/23/96/07/570239607.db2.gz VZEQIWCXORUYJT-HSZRJFAPSA-N 0 3 390.487 2.787 40 0 GFABHN COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000001639160 570266438 /nfs/dbraw/zinc/26/64/38/570266438.db2.gz KRWAWNXEYPCCLG-JOKRRQDLSA-N 0 3 383.488 2.729 40 0 GFABHN CCN(CC)CCOC(=O)C(O)(c1ccccc1OC)c1ccccc1OC ZINC000001710832 570267380 /nfs/dbraw/zinc/26/73/80/570267380.db2.gz MAIYPMKEVOCXDV-UHFFFAOYSA-N 0 3 387.476 2.825 40 0 GFABHN COC(=O)C[C@@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598299 570303445 /nfs/dbraw/zinc/30/34/45/570303445.db2.gz NFQOYGSKVUFULD-ISHFTEKXSA-N 0 3 392.455 2.767 40 0 GFABHN O=C1CCc2cc(S(=O)(=O)N3CCCC[C@@H]3CN3CCCCC3)ccc2N1 ZINC000012362454 570646061 /nfs/dbraw/zinc/64/60/61/570646061.db2.gz LAFMMOKWZIKUSQ-QGZVFWFLSA-N 0 3 391.537 2.600 40 0 GFABHN c1coc(Cn2nnnc2[C@H](c2ccccc2)N2CCN(C3CCCC3)CC2)c1 ZINC000019369661 570925289 /nfs/dbraw/zinc/92/52/89/570925289.db2.gz ULLKZKQJXJRTMU-NRFANRHFSA-N 0 3 392.507 2.964 40 0 GFABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019078096 570955374 /nfs/dbraw/zinc/95/53/74/570955374.db2.gz VUBRITNJHUERHP-HNNXBMFYSA-N 0 3 398.482 2.777 40 0 GFABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019078093 570955418 /nfs/dbraw/zinc/95/54/18/570955418.db2.gz VUBRITNJHUERHP-OAHLLOKOSA-N 0 3 398.482 2.777 40 0 GFABHN COc1cccc(CN2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC ZINC000019239185 570968324 /nfs/dbraw/zinc/96/83/24/570968324.db2.gz SLPMWGBHFGUDMX-OAHLLOKOSA-N 0 3 381.436 2.842 40 0 GFABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)[C@H]1CC[C@@H](Cn2cnnn2)CC1 ZINC000524732878 570981558 /nfs/dbraw/zinc/98/15/58/570981558.db2.gz WEURAJRNLFIZQK-HDICACEKSA-N 0 3 398.511 2.593 40 0 GFABHN COc1ccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019555155 571003078 /nfs/dbraw/zinc/00/30/78/571003078.db2.gz VCSWDTDOUOQIFC-KRWDZBQOSA-N 0 3 399.491 2.660 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590431 571017862 /nfs/dbraw/zinc/01/78/62/571017862.db2.gz CQACSZQEPFLLJC-HNNXBMFYSA-N 0 3 396.491 2.502 40 0 GFABHN COc1ccc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)[nH]c2c1 ZINC000019590549 571018161 /nfs/dbraw/zinc/01/81/61/571018161.db2.gz BQIGQRSISSGSME-FQEVSTJZSA-N 0 3 391.475 2.932 40 0 GFABHN Cc1cn2c(ncc(C(=O)Nc3cc(C)ccc3OCCN(C)C)c2=O)s1 ZINC000019717149 571039040 /nfs/dbraw/zinc/03/90/40/571039040.db2.gz MWJYMBSXMPUTQR-UHFFFAOYSA-N 0 3 386.477 2.566 40 0 GFABHN CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056054 571097973 /nfs/dbraw/zinc/09/79/73/571097973.db2.gz FRCWCSMHJCYLLJ-PXNSSMCTSA-N 0 3 386.521 2.820 40 0 GFABHN CN1CCC(N2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000035425761 204194072 /nfs/dbraw/zinc/19/40/72/204194072.db2.gz SFWIWXHMMSLTMT-KRWDZBQOSA-N 0 3 379.468 2.548 40 0 biogenic,in-vitro GFABHN CCCN1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012117073 204372317 /nfs/dbraw/zinc/37/23/17/204372317.db2.gz WJKAUCJLKDAMBH-QUCCMNQESA-N 0 3 382.508 2.905 40 0 GFABHN CCN(C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 ZINC000079413325 205060790 /nfs/dbraw/zinc/06/07/90/205060790.db2.gz CDLIHLGBXHENHR-OALUTQOASA-N 0 3 375.513 2.867 40 0 GFABHN CC(=O)N1CC[C@H](c2nn(CCNCc3ccccc3Cl)c3nccnc23)C1 ZINC000072391604 205340705 /nfs/dbraw/zinc/34/07/05/205340705.db2.gz QNEDGGXZVYAVTL-INIZCTEOSA-N 0 3 398.898 2.605 40 0 GFABHN Fc1ccc(-c2cc(CN3CCN(C4CCCC4)CC3)c3nnnn3c2)cc1 ZINC000072392357 205341241 /nfs/dbraw/zinc/34/12/41/205341241.db2.gz WZIQDTQNCNZNCH-UHFFFAOYSA-N 0 3 380.471 2.991 40 0 GFABHN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1ccccc1F ZINC000257253033 206165846 /nfs/dbraw/zinc/16/58/46/206165846.db2.gz JXIJCZJXCVULSF-CGXNFDGLSA-N 0 3 384.451 2.601 40 0 GFABHN C[C@]12C[C@@H](Cc3ccccc3)N(CC(=O)N3CCCC3)[C@H]1CCCCC(=O)N2 ZINC000257283296 206170883 /nfs/dbraw/zinc/17/08/83/206170883.db2.gz OXRUPPYTRSAZNQ-QTEQDKRBSA-N 0 3 383.536 2.743 40 0 GFABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccoc4)CC2)CN(C)C3)cc1 ZINC000306138196 206205648 /nfs/dbraw/zinc/20/56/48/206205648.db2.gz RSEFJGZTPAZCQY-UHFFFAOYSA-N 0 3 393.491 2.983 40 0 GFABHN O=C(c1cc(C2CC2)on1)N1CCO[C@@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306126820 206197948 /nfs/dbraw/zinc/19/79/48/206197948.db2.gz FGBOWWCWZXPYSO-IRLDBZIGSA-N 0 3 396.491 2.891 40 0 GFABHN CSc1ccc(S(=O)(=O)NCCCN2CCCCC2)cc1NC(C)=O ZINC000222716972 553055821 /nfs/dbraw/zinc/05/58/21/553055821.db2.gz ZLEWNNLLDGWYND-UHFFFAOYSA-N 0 3 385.555 2.521 40 0 GFABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000252516348 553149631 /nfs/dbraw/zinc/14/96/31/553149631.db2.gz SDLAFJXOWAOMLD-ZACQAIPSSA-N 0 3 386.300 2.871 40 0 GFABHN O=C(c1cscn1)N1CCC2(CN(C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000096202447 570219097 /nfs/dbraw/zinc/21/90/97/570219097.db2.gz HVCRQUGREQHYNY-UHFFFAOYSA-N 0 3 396.560 2.956 40 0 GFABHN COc1ccc(CN2CCC3(C[C@H](NC(=O)c4ccccn4)CO3)CC2)cc1 ZINC000096221073 570219948 /nfs/dbraw/zinc/21/99/48/570219948.db2.gz SDLWMGBLIGFFLY-SFHVURJKSA-N 0 3 381.476 2.644 40 0 GFABHN CCOc1ccccc1OC[C@H](O)CN(C)Cc1ccc(OCCCO)cc1 ZINC000585270418 570239275 /nfs/dbraw/zinc/23/92/75/570239275.db2.gz WCYRTZYMEHOTAI-LJQANCHMSA-N 0 3 389.492 2.718 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223254454 570453440 /nfs/dbraw/zinc/45/34/40/570453440.db2.gz HEZUABSYFCHVGY-UXHICEINSA-N 0 3 392.532 2.801 40 0 GFABHN O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCC2)CC3)C1 ZINC000019014527 570954070 /nfs/dbraw/zinc/95/40/70/570954070.db2.gz IFKPUVIUSVTEBX-INIZCTEOSA-N 0 3 384.524 2.577 40 0 GFABHN O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019014527 570954075 /nfs/dbraw/zinc/95/40/75/570954075.db2.gz IFKPUVIUSVTEBX-INIZCTEOSA-N 0 3 384.524 2.577 40 0 GFABHN Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019236043 570966288 /nfs/dbraw/zinc/96/62/88/570966288.db2.gz LFBDPYHAELTWKF-SFHVURJKSA-N 0 3 394.519 2.866 40 0 GFABHN CC(=O)N1CCc2nc(C3CCN(CCOc4ccccc4C)CC3)ncc2C1 ZINC000019237414 570966675 /nfs/dbraw/zinc/96/66/75/570966675.db2.gz KHFBBTOOEQJEBC-UHFFFAOYSA-N 0 3 394.519 2.948 40 0 GFABHN COc1ccc(CN2CCC(CNC(=O)[C@@H](C)Cn3nccc3C)CC2)cc1 ZINC000019238342 570967607 /nfs/dbraw/zinc/96/76/07/570967607.db2.gz ZEPQZWPFZFKNMC-KRWDZBQOSA-N 0 3 384.524 2.865 40 0 GFABHN O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019368332 570980219 /nfs/dbraw/zinc/98/02/19/570980219.db2.gz SEYKWYVLCVFFMS-QGZVFWFLSA-N 0 3 393.422 2.894 40 0 GFABHN CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172760 570997706 /nfs/dbraw/zinc/99/77/06/570997706.db2.gz JYMUQQWBQXQDEW-NRFANRHFSA-N 0 3 393.531 2.942 40 0 GFABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 ZINC000019565118 571007522 /nfs/dbraw/zinc/00/75/22/571007522.db2.gz LGBURAPANSMIAJ-KRWDZBQOSA-N 0 3 399.491 2.660 40 0 GFABHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019581450 571013419 /nfs/dbraw/zinc/01/34/19/571013419.db2.gz XWSGQKKUKXVFSU-FQEVSTJZSA-N 0 3 393.466 2.957 40 0 GFABHN CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 ZINC000008298183 291119218 /nfs/dbraw/zinc/11/92/18/291119218.db2.gz VCIZSLVZNNZCPT-OTWHNJEPSA-N 0 3 381.524 2.602 40 0 biogenic,in-vitro GFABHN COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccc(C)s3)CC2)C1 ZINC000306144993 209108913 /nfs/dbraw/zinc/10/89/13/209108913.db2.gz ZUBWELGYBJNTIK-UHFFFAOYSA-N 0 3 375.498 2.530 40 0 GFABHN Cc1nc(NCCCO)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328974329 206239294 /nfs/dbraw/zinc/23/92/94/206239294.db2.gz FFQLVGROEKMDLQ-UHFFFAOYSA-N 0 3 377.286 2.905 40 0 GFABHN COc1ccc(CN2C[C@@H]3CN(Cc4ccccn4)CCN3C(C)(C)C2)cc1 ZINC000253403426 206283470 /nfs/dbraw/zinc/28/34/70/206283470.db2.gz PVEJNEQTVCGEDV-NRFANRHFSA-N 0 3 380.536 2.871 40 0 biogenic,in-vitro GFABHN COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000001639161 206388011 /nfs/dbraw/zinc/38/80/11/206388011.db2.gz KRWAWNXEYPCCLG-KOCOEAGCSA-N 0 3 383.488 2.729 40 0 GFABHN Cc1nc(C)n(CCC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)n1 ZINC000019286003 207112579 /nfs/dbraw/zinc/11/25/79/207112579.db2.gz MPROMORZNQLCBI-SFHLNBCPSA-N 0 3 385.487 2.513 40 0 GFABHN C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 ZINC000019497940 207125119 /nfs/dbraw/zinc/12/51/19/207125119.db2.gz BRKMZUWTHFBZSO-LIRRHRJNSA-N 0 3 378.476 2.765 40 0 GFABHN COc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552204 207133370 /nfs/dbraw/zinc/13/33/70/207133370.db2.gz UNWMUYPBVGVDMH-KRWDZBQOSA-N 0 3 392.459 2.839 40 0 GFABHN CC(C)n1c2c(nc1C(=O)N1CC[C@@H](N(C)C)C1)CN(Cc1ccccc1)CC2 ZINC000096147138 208273629 /nfs/dbraw/zinc/27/36/29/208273629.db2.gz WSZGDTLVTVEXKN-LJQANCHMSA-N 0 3 395.551 2.798 40 0 GFABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096036828 208255607 /nfs/dbraw/zinc/25/56/07/208255607.db2.gz KKVOVGNAJUPGHT-IBGZPJMESA-N 0 3 398.482 2.535 40 0 GFABHN Cc1ccc(CN2CCOC[C@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240539 208293735 /nfs/dbraw/zinc/29/37/35/208293735.db2.gz WTKUHAUXRWMBPI-PXNSSMCTSA-N 0 3 388.537 2.875 40 0 GFABHN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1cccnc1)CC2 ZINC000096260572 208295561 /nfs/dbraw/zinc/29/55/61/208295561.db2.gz GKRNPPFZMOFITF-UHFFFAOYSA-N 0 3 379.508 2.601 40 0 GFABHN COc1ccc(CN2C[C@@H]3CN(C(=O)CCc4cccnc4)C[C@H]3C2)cc1F ZINC000096245540 208296333 /nfs/dbraw/zinc/29/63/33/208296333.db2.gz MCGKZBTZBNOGIT-RTBURBONSA-N 0 3 383.467 2.752 40 0 GFABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138126 209104127 /nfs/dbraw/zinc/10/41/27/209104127.db2.gz RPVYTRKQMULVPO-UYAOXDASSA-N 0 3 392.927 2.710 40 0 GFABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(NC(C)=O)cc1)COC3 ZINC000096112636 209008379 /nfs/dbraw/zinc/00/83/79/209008379.db2.gz CXIZPDYXXZIMLM-KRWDZBQOSA-N 0 3 380.448 2.864 40 0 biogenic,in-vitro GFABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(F)cc2)CN(C)C(=O)C1 ZINC000096113422 209010459 /nfs/dbraw/zinc/01/04/59/209010459.db2.gz IYDKKCKJNGEEII-IEBWSBKVSA-N 0 3 377.504 2.801 40 0 biogenic,in-vitro GFABHN CCN1CCN(CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257202554 209055265 /nfs/dbraw/zinc/05/52/65/209055265.db2.gz AMHRPHSFWLZTJC-IBGZPJMESA-N 0 3 397.494 2.691 40 0 GFABHN CC(C)Oc1ccc(CN2CCC[C@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257246488 209060048 /nfs/dbraw/zinc/06/00/48/209060048.db2.gz IUHNSSAYCMUEEV-OAQYLSRUSA-N 0 3 383.496 2.788 40 0 GFABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000257299465 209071811 /nfs/dbraw/zinc/07/18/11/209071811.db2.gz RQDTXIHHSJWHAE-QFIPXVFZSA-N 0 3 399.539 2.807 40 0 GFABHN Cc1ccc(CN2CC[C@]3(C2)COCc2c(C)nc(N4CCOCC4)nc23)cc1 ZINC000096244563 136185802 /nfs/dbraw/zinc/18/58/02/136185802.db2.gz MBQAQYFUUHLNCA-QHCPKHFHSA-N 0 3 394.519 2.604 40 0 GFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072345980 222232467 /nfs/dbraw/zinc/23/24/67/222232467.db2.gz UMZOYTIWHZKSBE-KRWDZBQOSA-N 0 3 388.475 2.599 40 0 GFABHN CC(=O)N1CCc2nc([C@@H]3CCCN(CCOc4cccc(C)c4)C3)ncc2C1 ZINC000072390877 222246918 /nfs/dbraw/zinc/24/69/18/222246918.db2.gz DQYYJNVVXCENJI-LJQANCHMSA-N 0 3 394.519 2.948 40 0 GFABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4cccc(Cl)c4)C[C@H]32)c(OC)n1 ZINC000072392587 222249532 /nfs/dbraw/zinc/24/95/32/222249532.db2.gz HKHGAQLKFOXYMO-JNAXZKDPSA-N 0 3 389.883 2.877 40 0 GFABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 ZINC000218566932 553053931 /nfs/dbraw/zinc/05/39/31/553053931.db2.gz JZWLTCJZSATAHA-OTWHNJEPSA-N 0 3 379.909 2.780 40 0 GFABHN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1ccc(F)cc1 ZINC000585262194 570229512 /nfs/dbraw/zinc/22/95/12/570229512.db2.gz ZSCHSBBENQEAPS-CZYKHXBRSA-N 0 3 398.478 2.991 40 0 GFABHN CN(C)C/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000585292555 570261952 /nfs/dbraw/zinc/26/19/52/570261952.db2.gz OLSSMGBXBAFKIW-RCMYXZNBSA-N 0 3 380.496 2.514 40 0 GFABHN Cc1ccc(F)c(CN2CCC3(CC2)C[C@@H](NS(=O)(=O)C2CC2)CCO3)c1 ZINC000108533682 570312987 /nfs/dbraw/zinc/31/29/87/570312987.db2.gz VSTYXIFRMWVEKS-KRWDZBQOSA-N 0 3 396.528 2.730 40 0 GFABHN O=C1NCC2(CCN(C[C@@H]3COc4ccccc4O3)CC2)N1c1ccccc1 ZINC000005941814 570461970 /nfs/dbraw/zinc/46/19/70/570461970.db2.gz LDOBJJZKPRYYIQ-GOSISDBHSA-N 0 3 379.460 2.891 40 0 GFABHN CSc1ccc(S(=O)(=O)NCCCN2CCCCCC2)cc1NC(C)=O ZINC000224725098 570527027 /nfs/dbraw/zinc/52/70/27/570527027.db2.gz YMGRBMZFKJFJSV-UHFFFAOYSA-N 0 3 399.582 2.911 40 0 GFABHN CCn1c2ccc(S(=O)(=O)NCCCN3CCCCCC3)cc2sc1=O ZINC000225692264 570604243 /nfs/dbraw/zinc/60/42/43/570604243.db2.gz OTWIXPRUNGKJRV-UHFFFAOYSA-N 0 3 397.566 2.627 40 0 GFABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)NCc3ccco3)c(=O)[nH]c2c1 ZINC000004133456 570618253 /nfs/dbraw/zinc/61/82/53/570618253.db2.gz OOUADEQPHRYYCQ-UHFFFAOYSA-N 0 3 398.532 2.868 40 0 GFABHN COc1cc2c(cc1S(=O)(=O)NCCCN1CCC[C@H](C)C1)CCCC2 ZINC000260746453 570702025 /nfs/dbraw/zinc/70/20/25/570702025.db2.gz XRPPJKPNDFOLHY-INIZCTEOSA-N 0 3 380.554 2.974 40 0 GFABHN Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257237055 570766819 /nfs/dbraw/zinc/76/68/19/570766819.db2.gz HEYIOGVGLDXCLK-HNNXBMFYSA-N 0 3 381.484 2.917 40 0 GFABHN Clc1ncccc1-c1noc(CN2CCC(CCN3CCOCC3)CC2)n1 ZINC000013992514 570869012 /nfs/dbraw/zinc/86/90/12/570869012.db2.gz POXXFUOLKONUNL-UHFFFAOYSA-N 0 3 391.903 2.719 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCC(=O)N(C)C)s1 ZINC000585104774 570933560 /nfs/dbraw/zinc/93/35/60/570933560.db2.gz MFDVSFMXPGAFID-QGZVFWFLSA-N 0 3 380.554 2.923 40 0 GFABHN O=C(COc1ccccc1)N1CCO[C@]2(CCCC[C@H]2NCc2cccnc2)C1 ZINC000306143351 209108257 /nfs/dbraw/zinc/10/82/57/209108257.db2.gz XZZJACVFRWWJGY-FYYLOGMGSA-N 0 3 395.503 2.790 40 0 GFABHN COc1cccc(CNc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c1 ZINC000328980833 206239010 /nfs/dbraw/zinc/23/90/10/206239010.db2.gz GQCRZLZJJPZGJQ-UHFFFAOYSA-N 0 3 377.492 2.582 40 0 GFABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccccn2)n1 ZINC000328981947 206239346 /nfs/dbraw/zinc/23/93/46/206239346.db2.gz GWZAYFDCRWFYGU-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN CSc1cccc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)c1 ZINC000329056003 206242300 /nfs/dbraw/zinc/24/23/00/206242300.db2.gz VQGMSZGSPVLXTD-UHFFFAOYSA-N 0 3 380.521 2.821 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)cccc2Cl)cc(C(F)(F)F)n1 ZINC000329037985 206242385 /nfs/dbraw/zinc/24/23/85/206242385.db2.gz RQIFHMKAEAICRY-UHFFFAOYSA-N 0 3 377.773 2.849 40 0 GFABHN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCOCC3)CCN21 ZINC000253396224 206281382 /nfs/dbraw/zinc/28/13/82/206281382.db2.gz DJDWMBVUQUHZEV-IBGZPJMESA-N 0 3 391.943 2.740 40 0 biogenic,in-vitro GFABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(C1CCC1)C[C@H]2c1cccnc1 ZINC000306141425 209106019 /nfs/dbraw/zinc/10/60/19/209106019.db2.gz VVQFIAMMUKICLE-PZJWPPBQSA-N 0 3 383.517 2.893 40 0 GFABHN COc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)OCO2 ZINC000019215798 207107202 /nfs/dbraw/zinc/10/72/02/207107202.db2.gz HFLYJMIGXCCOCN-JIGPKXGUSA-N 0 3 382.460 2.857 40 0 GFABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019345634 207116280 /nfs/dbraw/zinc/11/62/80/207116280.db2.gz SZYILDSLGMERRP-OAQYLSRUSA-N 0 3 376.504 2.907 40 0 GFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019499408 207124872 /nfs/dbraw/zinc/12/48/72/207124872.db2.gz SJERYABBIIQIHU-VQTJNVASSA-N 0 3 396.491 2.652 40 0 GFABHN COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019561199 207134809 /nfs/dbraw/zinc/13/48/09/207134809.db2.gz RUDDOYFGAWEYDH-PCCBWWKXSA-N 0 3 382.504 2.566 40 0 GFABHN c1ccc(N2CCCCC2)c(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711055 207151475 /nfs/dbraw/zinc/15/14/75/207151475.db2.gz HMGFCMBLJKWMEQ-IBGZPJMESA-N 0 3 380.540 2.751 40 0 GFABHN CCN1CC[C@]2(CN(C(C)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O ZINC000096036498 208252520 /nfs/dbraw/zinc/25/25/20/208252520.db2.gz JHJYTCUUOZIUIY-NRFANRHFSA-N 0 3 389.565 2.739 40 0 GFABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056035 208257788 /nfs/dbraw/zinc/25/77/88/208257788.db2.gz AOHGXHAWFVSNQE-UNMCSNQZSA-N 0 3 383.492 2.952 40 0 GFABHN CC(C)CS(=O)(=O)N[C@H]1CCCC[C@@]12CN(C[C@@H]1CC=CCC1)CCO2 ZINC000306123910 209097318 /nfs/dbraw/zinc/09/73/18/209097318.db2.gz BAHBELYJQDXKMC-HSALFYBXSA-N 0 3 384.586 2.932 40 0 GFABHN CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCCN4CC(C)C)n3)ccn2)CC1 ZINC000049154970 560083975 /nfs/dbraw/zinc/08/39/75/560083975.db2.gz ZZDIFAHVVQROPE-SFHVURJKSA-N 0 3 398.511 2.593 40 0 biogenic,in-vitro GFABHN CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(-c3ccccc3)cc2)[C@@H]1O ZINC000012483555 560212294 /nfs/dbraw/zinc/21/22/94/560212294.db2.gz QKAFKKVUHTUHPF-FWKCKQQBSA-N 0 3 382.504 2.638 40 0 biogenic,in-vitro GFABHN Cc1ccc(Cl)c(OC[C@@]2(O)CN(CC3(O)CCCCC3)CC[C@@H]2O)c1 ZINC000585281357 570249271 /nfs/dbraw/zinc/24/92/71/570249271.db2.gz INHHZERXNKEJCD-ICSRJNTNSA-N 0 3 383.916 2.520 40 0 GFABHN COc1cc(COC[C@@H](O)CN[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686925 570295181 /nfs/dbraw/zinc/29/51/81/570295181.db2.gz WXONXIJDSQKEMJ-QAPCUYQASA-N 0 3 375.465 2.941 40 0 GFABHN O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225278404 570561044 /nfs/dbraw/zinc/56/10/44/570561044.db2.gz ZVLSTRCBPUVZAW-MJGOQNOKSA-N 0 3 384.451 2.994 40 0 GFABHN CCOCc1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)ccc1OC ZINC000012147613 570617219 /nfs/dbraw/zinc/61/72/19/570617219.db2.gz CUTVSSYHTUOOGY-QIDMFYOTSA-N 0 3 385.508 2.980 40 0 GFABHN CCc1c(C)noc1-c1cnc(N(C)CCN(C)C)nc1-c1cnc(C)cn1 ZINC000012156503 570618647 /nfs/dbraw/zinc/61/86/47/570618647.db2.gz JZBBMFNZYGKKAC-UHFFFAOYSA-N 0 3 381.484 2.766 40 0 GFABHN Cc1c(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012203313 570625122 /nfs/dbraw/zinc/62/51/22/570625122.db2.gz ZFJHFUNXTZRKMQ-GFCCVEGCSA-N 0 3 376.526 2.544 40 0 GFABHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000007277175 570757733 /nfs/dbraw/zinc/75/77/33/570757733.db2.gz UGAQTAFEGJDQFL-GFCCVEGCSA-N 0 3 381.270 2.902 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1ccccc1Cl ZINC000257236764 570767041 /nfs/dbraw/zinc/76/70/41/570767041.db2.gz HDRWGUIWPXNYLH-APWZRJJASA-N 0 3 377.916 2.852 40 0 GFABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257239799 570767997 /nfs/dbraw/zinc/76/79/97/570767997.db2.gz HQUYLWTZHFBLHV-OAHLLOKOSA-N 0 3 390.509 2.738 40 0 GFABHN CC[C@@H](C(=O)NCCN1CCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713973 570778415 /nfs/dbraw/zinc/77/84/15/570778415.db2.gz XBHOOKFHYKQJLY-IBGZPJMESA-N 0 3 395.569 2.532 40 0 GFABHN COc1ccc(CN2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC000585103321 570931953 /nfs/dbraw/zinc/93/19/53/570931953.db2.gz BFSFJWLLXRWMTC-HSZRJFAPSA-N 0 3 380.488 2.946 40 0 GFABHN CCc1cccc(C)c1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000329036557 206242579 /nfs/dbraw/zinc/24/25/79/206242579.db2.gz RJWXNDZGRRSWMQ-UHFFFAOYSA-N 0 3 376.508 2.970 40 0 GFABHN O=C(NC1CCCCC1)NC1(C(=O)N2CCN3CCC[C@@H]3C2)CCCCC1 ZINC000004356356 206260137 /nfs/dbraw/zinc/26/01/37/206260137.db2.gz NYYWDZXFMPIOHW-GOSISDBHSA-N 0 3 376.545 2.628 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019210827 207105997 /nfs/dbraw/zinc/10/59/97/207105997.db2.gz SBIWDTKVUAMUSE-KRWDZBQOSA-N 0 3 394.519 2.946 40 0 GFABHN O=C(NC1CC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372459 207119240 /nfs/dbraw/zinc/11/92/40/207119240.db2.gz WPQLYEIRGCLWLB-PMACEKPBSA-N 0 3 391.519 2.571 40 0 GFABHN CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524536 207129290 /nfs/dbraw/zinc/12/92/90/207129290.db2.gz GZGASSFHLNUCCY-QGZVFWFLSA-N 0 3 384.528 2.665 40 0 GFABHN CCn1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524536 207129295 /nfs/dbraw/zinc/12/92/95/207129295.db2.gz GZGASSFHLNUCCY-QGZVFWFLSA-N 0 3 384.528 2.665 40 0 GFABHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019559020 207135157 /nfs/dbraw/zinc/13/51/57/207135157.db2.gz SYULFWNLRZUKPT-CYBMUJFWSA-N 0 3 386.883 2.804 40 0 GFABHN Cc1nn(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019557107 207131994 /nfs/dbraw/zinc/13/19/94/207131994.db2.gz SALMJRJVUCBAFB-HXUWFJFHSA-N 0 3 396.539 2.730 40 0 GFABHN Cc1ccc2oc(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)cc2c1 ZINC000019709274 207151214 /nfs/dbraw/zinc/15/12/14/207151214.db2.gz UNSCLXHBTLAHJQ-INIZCTEOSA-N 0 3 393.491 2.840 40 0 GFABHN CCn1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 ZINC000019710973 207152657 /nfs/dbraw/zinc/15/26/57/207152657.db2.gz OQOJKESJEKFFNS-INIZCTEOSA-N 0 3 394.523 2.744 40 0 GFABHN CCn1cc(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 ZINC000019711018 207153113 /nfs/dbraw/zinc/15/31/13/207153113.db2.gz MFKQJTZALIJZEK-OAHLLOKOSA-N 0 3 382.487 2.875 40 0 GFABHN Cc1cc(Nc2cc([C@@H]3CCCN3C(=O)C3(N)CCCCC3)nc(C)n2)n[nH]1 ZINC000072360847 208003660 /nfs/dbraw/zinc/00/36/60/208003660.db2.gz DRZVAMVFUMSNKQ-INIZCTEOSA-N 0 3 383.500 2.885 40 0 GFABHN CC(=O)N1CCn2c(nnc2[C@H]2CCCN(Cc3ccnc4ccccc34)C2)C1 ZINC000072372130 208004681 /nfs/dbraw/zinc/00/46/81/208004681.db2.gz IVWOFVJHEDGPLP-SFHVURJKSA-N 0 3 390.491 2.568 40 0 GFABHN COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222997600 208890464 /nfs/dbraw/zinc/89/04/64/208890464.db2.gz JUHOUEKFSHQQOD-MOPGFXCFSA-N 0 3 379.489 2.886 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306124016 209097651 /nfs/dbraw/zinc/09/76/51/209097651.db2.gz BDBPGRQWSJNXBW-LSDHHAIUSA-N 0 3 385.899 2.518 40 0 GFABHN CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 ZINC000096111835 209008410 /nfs/dbraw/zinc/00/84/10/209008410.db2.gz ZPHCGUDEJVQXJF-FPOVZHCZSA-N 0 3 392.503 2.544 40 0 biogenic,in-vitro GFABHN O=C(Cc1cccc(O)c1)N1CCC[C@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257248037 209060172 /nfs/dbraw/zinc/06/01/72/209060172.db2.gz JBTKEMJPTBKULM-XMMPIXPASA-N 0 3 394.515 2.737 40 0 GFABHN CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCCN2C)c1 ZINC000257318081 209075042 /nfs/dbraw/zinc/07/50/42/209075042.db2.gz VMKKKWKKKXFYGJ-LJQANCHMSA-N 0 3 380.492 2.599 40 0 GFABHN Cc1ccc([C@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1C ZINC000072344552 222233437 /nfs/dbraw/zinc/23/34/37/222233437.db2.gz LBRDXZBYXKZNFQ-OAQYLSRUSA-N 0 3 383.536 2.767 40 0 GFABHN CCOc1cc(CNCCCN2CCOCC2)c(Br)cc1OC ZINC000013915710 551109432 /nfs/dbraw/zinc/10/94/32/551109432.db2.gz AVNXVKOLEBPCDJ-UHFFFAOYSA-N 0 3 387.318 2.668 40 0 GFABHN CC(C)CN1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424689 560081142 /nfs/dbraw/zinc/08/11/42/560081142.db2.gz SLYLSGBTVIYPPM-KRWDZBQOSA-N 0 3 398.511 2.626 40 0 biogenic,in-vitro GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(F)c1 ZINC000020801036 570281280 /nfs/dbraw/zinc/28/12/80/570281280.db2.gz GTSWXTBWDXGOKJ-OALUTQOASA-N 0 3 395.434 2.590 40 0 GFABHN O=C(NC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)c1ccccc1 ZINC000025828416 570437353 /nfs/dbraw/zinc/43/73/53/570437353.db2.gz GFMWRCIZKUIIIV-UHFFFAOYSA-N 0 3 391.471 2.567 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223254561 570453282 /nfs/dbraw/zinc/45/32/82/570453282.db2.gz HEZUABSYFCHVGY-WOJBJXKFSA-N 0 3 392.532 2.801 40 0 GFABHN CN1CCN(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000038757299 570582582 /nfs/dbraw/zinc/58/25/82/570582582.db2.gz ORXPUAULNONFGI-UHFFFAOYSA-N 0 3 390.380 2.980 40 0 GFABHN CCN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)[C@@H](N)C(C)C ZINC000079393320 570597940 /nfs/dbraw/zinc/59/79/40/570597940.db2.gz DBYWCRSHESOZFO-MOPGFXCFSA-N 0 3 375.513 2.867 40 0 GFABHN CCN(C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(=O)OCc1ccccc1 ZINC000079413332 570598019 /nfs/dbraw/zinc/59/80/19/570598019.db2.gz CDLIHLGBXHENHR-MOPGFXCFSA-N 0 3 375.513 2.867 40 0 GFABHN C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365923 570646835 /nfs/dbraw/zinc/64/68/35/570646835.db2.gz SXFXWQJKJNUXOK-UMEYKSNOSA-N 0 3 380.492 2.912 40 0 GFABHN C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365923 570646837 /nfs/dbraw/zinc/64/68/37/570646837.db2.gz SXFXWQJKJNUXOK-UMEYKSNOSA-N 0 3 380.492 2.912 40 0 GFABHN Cc1ccc2c(c1)CN(C(=O)Cc1ccc3c(c1)OCO3)[C@@H](CN(C)C)CO2 ZINC000012406615 570654015 /nfs/dbraw/zinc/65/40/15/570654015.db2.gz SBVDPQSLPFQSEK-SFHVURJKSA-N 0 3 382.460 2.618 40 0 GFABHN CC[C@H](C(=O)NCCN1CCCCCC1)N(c1ccc(C)cc1)S(C)(=O)=O ZINC000013713971 570778212 /nfs/dbraw/zinc/77/82/12/570778212.db2.gz XBHOOKFHYKQJLY-LJQANCHMSA-N 0 3 395.569 2.532 40 0 GFABHN COCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010337756 570788853 /nfs/dbraw/zinc/78/88/53/570788853.db2.gz DDZUDKIFPSSKSC-UHFFFAOYSA-N 0 3 381.476 2.911 40 0 GFABHN COc1ccc(CN2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100263 570924241 /nfs/dbraw/zinc/92/42/41/570924241.db2.gz JDRQVBWUEDYOCU-QHCPKHFHSA-N 0 3 399.535 2.665 40 0 GFABHN O=C(COc1ccccc1)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306143354 209109099 /nfs/dbraw/zinc/10/90/99/209109099.db2.gz XZZJACVFRWWJGY-JTHBVZDNSA-N 0 3 395.503 2.790 40 0 GFABHN COc1ccc(Cl)cc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000328985728 206238767 /nfs/dbraw/zinc/23/87/67/206238767.db2.gz HUQCITHCLDBZMD-UHFFFAOYSA-N 0 3 398.898 2.762 40 0 GFABHN CCc1cccc(C)c1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000329027701 206241008 /nfs/dbraw/zinc/24/10/08/206241008.db2.gz PSUDJXNYTWJSKD-UHFFFAOYSA-N 0 3 376.508 2.970 40 0 GFABHN Cc1nc(NCCCO)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329027136 206241229 /nfs/dbraw/zinc/24/12/29/206241229.db2.gz PRFYSEOQFLZKCR-UHFFFAOYSA-N 0 3 377.286 2.905 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(Br)c(F)c2)cc(C2CC2)n1 ZINC000329013067 206241716 /nfs/dbraw/zinc/24/17/16/206241716.db2.gz MNOSFFHYLGUFCX-UHFFFAOYSA-N 0 3 394.292 2.817 40 0 GFABHN Cc1ccc(CC(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1 ZINC000019209272 207106187 /nfs/dbraw/zinc/10/61/87/207106187.db2.gz FYRCQECHNHYGGQ-IBGZPJMESA-N 0 3 391.519 2.860 40 0 GFABHN C[C@@H](Cc1ccc2c(c1)OCO2)CN(CCN1CCOCC1)Cc1cccnc1 ZINC000019456825 207124203 /nfs/dbraw/zinc/12/42/03/207124203.db2.gz SYDAEWCUVSDSSI-IBGZPJMESA-N 0 3 397.519 2.823 40 0 GFABHN CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)[nH]n1 ZINC000019447405 207121204 /nfs/dbraw/zinc/12/12/04/207121204.db2.gz YAXULIYNOJXTMZ-LJQANCHMSA-N 0 3 382.512 2.754 40 0 GFABHN CCOc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)ccc1OC ZINC000019532125 207131495 /nfs/dbraw/zinc/13/14/95/207131495.db2.gz ZIZCOJSYSHHRJK-BHIFYINESA-N 0 3 396.531 2.956 40 0 GFABHN COc1ccc(CN2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552208 207132435 /nfs/dbraw/zinc/13/24/35/207132435.db2.gz JEBWQWJFFQZYIR-KRWDZBQOSA-N 0 3 392.459 2.839 40 0 GFABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2C)n1 ZINC000019698344 207148666 /nfs/dbraw/zinc/14/86/66/207148666.db2.gz YBWJMZLPSOQLRT-NRFANRHFSA-N 0 3 394.523 2.526 40 0 GFABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)[n-]c(=O)c2C1 ZINC000019590239 207141827 /nfs/dbraw/zinc/14/18/27/207141827.db2.gz QIPDZSRJIIWDFN-QGZVFWFLSA-N 0 3 380.492 2.509 40 0 GFABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)[n-]c(=O)c2C1 ZINC000019590239 207141830 /nfs/dbraw/zinc/14/18/30/207141830.db2.gz QIPDZSRJIIWDFN-QGZVFWFLSA-N 0 3 380.492 2.509 40 0 GFABHN CN(C)C[C@@H]1[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000022591152 207256272 /nfs/dbraw/zinc/25/62/72/207256272.db2.gz PIJASLBJPRDNRA-FUPPJEDESA-N 0 3 386.536 2.632 40 0 GFABHN CC(=O)N1CCn2c(nnc2C2CCN(Cc3ccnc4ccccc34)CC2)C1 ZINC000072372087 208004495 /nfs/dbraw/zinc/00/44/95/208004495.db2.gz MFFWDKMEBYNLSM-UHFFFAOYSA-N 0 3 390.491 2.568 40 0 GFABHN CC(=O)Nc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 ZINC000072363055 208005318 /nfs/dbraw/zinc/00/53/18/208005318.db2.gz GTMIRHFQSQOGEQ-OAHLLOKOSA-N 0 3 397.479 2.671 40 0 GFABHN CNc1cc(Nc2nccc([C@H]3CCCN(Cc4ccncc4)C3)n2)ncn1 ZINC000072377625 208007963 /nfs/dbraw/zinc/00/79/63/208007963.db2.gz QZHRJQBTOHWLQR-INIZCTEOSA-N 0 3 376.468 2.827 40 0 GFABHN O=C(CN1CCCC1)N1CCC[C@@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000072378342 208009128 /nfs/dbraw/zinc/00/91/28/208009128.db2.gz RMBHUJYNIHFQEM-HXUWFJFHSA-N 0 3 386.471 2.930 40 0 GFABHN CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399207 208014442 /nfs/dbraw/zinc/01/44/42/208014442.db2.gz RLQMQYYSZBJAFA-NXHRZFHOSA-N 0 3 386.540 2.720 40 0 GFABHN CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399207 208014446 /nfs/dbraw/zinc/01/44/46/208014446.db2.gz RLQMQYYSZBJAFA-NXHRZFHOSA-N 0 3 386.540 2.720 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@@H]1C2 ZINC000306134745 209102957 /nfs/dbraw/zinc/10/29/57/209102957.db2.gz NXBRFGVAZMRDIU-DLBZAZTESA-N 0 3 391.450 2.974 40 0 GFABHN NC[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535459 553053928 /nfs/dbraw/zinc/05/39/28/553053928.db2.gz SDLAFJXOWAOMLD-ULQDDVLXSA-N 0 3 386.300 2.871 40 0 GFABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(C(F)(F)F)n1 ZINC000329010726 563469824 /nfs/dbraw/zinc/46/98/24/563469824.db2.gz MAVHQSAXWMPWQS-UHFFFAOYSA-N 0 3 377.773 2.849 40 0 GFABHN Cc1cccc(Nc2cc(C[C@@H]3CCCN(C(=O)/C=C/CN(C)C)C3)ncn2)n1 ZINC000585292017 570261057 /nfs/dbraw/zinc/26/10/57/570261057.db2.gz IGQJCHQDGOCJLG-OPUMOTSWSA-N 0 3 394.523 2.823 40 0 GFABHN Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/CN(C)C)CC3)ncn2)n1 ZINC000585292445 570261966 /nfs/dbraw/zinc/26/19/66/570261966.db2.gz MKSLHLOKVXQALD-VMPITWQZSA-N 0 3 394.523 2.823 40 0 GFABHN Cc1cccnc1Nc1cc([C@@H]2CCN(C(=O)/C=C/CN(C)C)C2)nc(C)n1 ZINC000585293270 570262546 /nfs/dbraw/zinc/26/25/46/570262546.db2.gz YYPRKLONIKQGHU-DBWMJRBXSA-N 0 3 380.496 2.666 40 0 GFABHN CC(C)(C)n1nnnc1[C@H](c1ccncc1)N1CCN(C2CCCCC2)CC1 ZINC000022457880 570347164 /nfs/dbraw/zinc/34/71/64/570347164.db2.gz UUBDNYFPVBOGJK-IBGZPJMESA-N 0 3 383.544 2.863 40 0 GFABHN CC(=O)NCC1(c2ccccc2)CCN(C[C@H]2COc3ccccc3O2)CC1 ZINC000005196905 570431191 /nfs/dbraw/zinc/43/11/91/570431191.db2.gz WSWPNPUMDWOKAR-FQEVSTJZSA-N 0 3 380.488 2.996 40 0 in-man GFABHN CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413403 570598091 /nfs/dbraw/zinc/59/80/91/570598091.db2.gz GBYHFBZRCDNVPT-OALUTQOASA-N 0 3 375.513 2.865 40 0 GFABHN CCCN1C[C@H](NC(=O)c2nn(C)cc2Cl)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364788 570646666 /nfs/dbraw/zinc/64/66/66/570646666.db2.gz NPDSPNDDZFIRNM-WBVHZDCISA-N 0 3 376.888 2.690 40 0 GFABHN COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccc(C)cc34)C2=O)cc1 ZINC000017077191 570916358 /nfs/dbraw/zinc/91/63/58/570916358.db2.gz WLVUQSJTGVXEDH-FQEVSTJZSA-N 0 3 377.444 2.949 40 0 GFABHN COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CN3CC3CCCCC3)C2)c1 ZINC000585107896 570939546 /nfs/dbraw/zinc/93/95/46/570939546.db2.gz CQQMRIZIHURUTE-PXNSSMCTSA-N 0 3 378.538 2.970 40 0 GFABHN COC(=O)c1ccc2c(c1)CCN(c1cc(NCCN(C)C)nc(C3CC3)n1)C2 ZINC000328961946 222806266 /nfs/dbraw/zinc/80/62/66/222806266.db2.gz BFVUEOASJIUHRE-UHFFFAOYSA-N 0 3 395.507 2.677 40 0 GFABHN CC(C)NC(=O)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299212 291119247 /nfs/dbraw/zinc/11/92/47/291119247.db2.gz KNSKKFWVERUHCL-POAQFYNOSA-N 0 3 399.564 2.805 40 0 biogenic,in-vitro GFABHN CN(C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccn2)n1 ZINC000329001323 206240451 /nfs/dbraw/zinc/24/04/51/206240451.db2.gz KDEJWLIUNXKHLX-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC ZINC000004217021 206260570 /nfs/dbraw/zinc/26/05/70/206260570.db2.gz VBWVFQIJCNAECD-GOSISDBHSA-N 0 3 386.565 2.936 40 0 GFABHN COc1c(C)cccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019235831 207110084 /nfs/dbraw/zinc/11/00/84/207110084.db2.gz CLWOUHQWJJYUBK-MRXNPFEDSA-N 0 3 380.492 2.801 40 0 GFABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019078500 207101752 /nfs/dbraw/zinc/10/17/52/207101752.db2.gz RPDOHJNRDBCLNW-CVEARBPZSA-N 0 3 398.482 2.777 40 0 GFABHN CN(C)C[C@H]1[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000019366383 207118927 /nfs/dbraw/zinc/11/89/27/207118927.db2.gz PIJASLBJPRDNRA-QZNHQXDQSA-N 0 3 386.536 2.632 40 0 GFABHN COc1ccc([C@@H]2C[N@H+](Cc3ccncc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285519 207110684 /nfs/dbraw/zinc/11/06/84/207110684.db2.gz BXSDOEIXGJPPND-VQTJNVASSA-N 0 3 376.460 2.865 40 0 GFABHN COc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285519 207110688 /nfs/dbraw/zinc/11/06/88/207110688.db2.gz BXSDOEIXGJPPND-VQTJNVASSA-N 0 3 376.460 2.865 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1 ZINC000019572990 207138641 /nfs/dbraw/zinc/13/86/41/207138641.db2.gz MNFAPVAXLSVACZ-QGZVFWFLSA-N 0 3 396.539 2.635 40 0 GFABHN COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)cc21 ZINC000019590543 207141631 /nfs/dbraw/zinc/14/16/31/207141631.db2.gz GADKYYBKGXNWNW-IBGZPJMESA-N 0 3 391.475 2.932 40 0 GFABHN O=C(CN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1)NCc1ccccn1 ZINC000019715560 207153756 /nfs/dbraw/zinc/15/37/56/207153756.db2.gz IIBHVGHBMRYYEV-OAHLLOKOSA-N 0 3 381.455 2.668 40 0 GFABHN Cc1cc2c(cc1CN(C)Cc1ccccc1N1CCOCC1)n(C)c(=O)n2C ZINC000019715791 207154696 /nfs/dbraw/zinc/15/46/96/207154696.db2.gz XCPBGZCZFIXCIO-UHFFFAOYSA-N 0 3 394.519 2.654 40 0 GFABHN CCc1ccc(CN2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)cc1 ZINC000306127580 209097524 /nfs/dbraw/zinc/09/75/24/209097524.db2.gz GCPWITIYXUUKQD-IRLDBZIGSA-N 0 3 382.508 2.901 40 0 GFABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000257250706 209060406 /nfs/dbraw/zinc/06/04/06/209060406.db2.gz JNRUDQBCAHELSL-HSZRJFAPSA-N 0 3 397.519 2.595 40 0 GFABHN CNC(=O)[C@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 ZINC000257273940 209066977 /nfs/dbraw/zinc/06/69/77/209066977.db2.gz NIVSEWOTLWYQAP-HSZRJFAPSA-N 0 3 394.519 2.799 40 0 GFABHN O=C(CO)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)CN2Cc1ccccc1 ZINC000257282209 209067202 /nfs/dbraw/zinc/06/72/02/209067202.db2.gz OSWJNYYRMQYJGH-BJLQDIEVSA-N 0 3 386.442 2.774 40 0 GFABHN Cc1ccccc1CN1CC[C@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244579 136185743 /nfs/dbraw/zinc/18/57/43/136185743.db2.gz UKRVARDUBIEVTF-QHCPKHFHSA-N 0 3 394.519 2.604 40 0 GFABHN CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(Cc3cccc(C)n3)[C@@H]2C1 ZINC000257322146 209074585 /nfs/dbraw/zinc/07/45/85/209074585.db2.gz WETIXYJJVJFRRB-AFXVXQJMSA-N 0 3 379.504 2.587 40 0 GFABHN O=C(CC1(O)CCCCC1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257315358 209074875 /nfs/dbraw/zinc/07/48/75/209074875.db2.gz VAZFOUFSEGHKAS-IBGZPJMESA-N 0 3 388.499 2.546 40 0 GFABHN CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346253 222232898 /nfs/dbraw/zinc/23/28/98/222232898.db2.gz HHOMLTGPCQIOKJ-QGZVFWFLSA-N 0 3 397.498 2.913 40 0 GFABHN CCOC(=O)N1CCC(N2CCC(O)(COc3ccc(F)cc3)CC2)CC1 ZINC000585281361 570249330 /nfs/dbraw/zinc/24/93/30/570249330.db2.gz IOVQJWIVDUXJOF-UHFFFAOYSA-N 0 3 380.460 2.652 40 0 GFABHN CN(Cc1ccc(OCCn2cccn2)cc1)C[C@H](O)COc1ccccc1 ZINC000257266366 570487843 /nfs/dbraw/zinc/48/78/43/570487843.db2.gz MCRJGJOFKFEQBW-FQEVSTJZSA-N 0 3 381.476 2.834 40 0 GFABHN COc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366336 570647237 /nfs/dbraw/zinc/64/72/37/570647237.db2.gz ZXDHHSAMJPHRST-LIMIJEPZSA-N 0 3 395.503 2.687 40 0 GFABHN O=C(NCCN1CCCCC1)[C@H]1C[C@H]2CC[C@@H]1C[C@@]21NC(=O)c2ccccc2O1 ZINC000072339090 570879963 /nfs/dbraw/zinc/87/99/63/570879963.db2.gz FKCUFWNDTOMWDZ-PSHPWPFNSA-N 0 3 397.519 2.543 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306140319 209105876 /nfs/dbraw/zinc/10/58/76/209105876.db2.gz UPRKFLVGQDOYPL-CABCVRRESA-N 0 3 385.899 2.518 40 0 GFABHN CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)CCO3)CC1 ZINC000019021060 207100473 /nfs/dbraw/zinc/10/04/73/207100473.db2.gz BTPICNHHCPTRKN-OAQYLSRUSA-N 0 3 380.488 2.782 40 0 GFABHN Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135911 207104516 /nfs/dbraw/zinc/10/45/16/207104516.db2.gz SCTPXFWAHVPNQQ-FUHWJXTLSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019135911 207104521 /nfs/dbraw/zinc/10/45/21/207104521.db2.gz SCTPXFWAHVPNQQ-FUHWJXTLSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc(OC(C)(C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019210747 207106576 /nfs/dbraw/zinc/10/65/76/207106576.db2.gz PLUDSJRTHPBDAA-LJQANCHMSA-N 0 3 380.492 2.952 40 0 GFABHN COc1c(C)cccc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019235857 207108887 /nfs/dbraw/zinc/10/88/87/207108887.db2.gz AQARCVGUBFIADT-UHFFFAOYSA-N 0 3 380.492 2.801 40 0 GFABHN COc1ccc(CN2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC ZINC000019239175 207110897 /nfs/dbraw/zinc/11/08/97/207110897.db2.gz TXOSSLDRUXFTOW-HNNXBMFYSA-N 0 3 381.436 2.842 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019572899 207137694 /nfs/dbraw/zinc/13/76/94/207137694.db2.gz IWZCHNXLAKDKNH-YLJYHZDGSA-N 0 3 396.539 2.983 40 0 GFABHN COc1cccc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1OC ZINC000019590697 207140705 /nfs/dbraw/zinc/14/07/05/207140705.db2.gz LRLYKAHBYSSGEZ-UHFFFAOYSA-N 0 3 396.491 2.502 40 0 GFABHN COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1OC ZINC000019590454 207142168 /nfs/dbraw/zinc/14/21/68/207142168.db2.gz HSCHTLIFZBLGOY-OAHLLOKOSA-N 0 3 396.491 2.502 40 0 GFABHN Cc1ccc2cc(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)[nH]c2c1 ZINC000019709260 207150339 /nfs/dbraw/zinc/15/03/39/207150339.db2.gz GJKOMFQYHNGYIM-KRWDZBQOSA-N 0 3 392.507 2.576 40 0 GFABHN Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@H]3CCCN(C)C3)C2)ccc1F ZINC000019711125 207152778 /nfs/dbraw/zinc/15/27/78/207152778.db2.gz OVPKBGKVRXYYFF-SFHVURJKSA-N 0 3 399.514 2.900 40 0 GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020636738 207208525 /nfs/dbraw/zinc/20/85/25/207208525.db2.gz PZPLRGQCASCTNS-OALUTQOASA-N 0 3 395.434 2.590 40 0 GFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(C)c1 ZINC000020636884 207209575 /nfs/dbraw/zinc/20/95/75/207209575.db2.gz XOOXWDQEPNQMHK-VQTJNVASSA-N 0 3 391.471 2.760 40 0 GFABHN N=C1NC2=C(CN(c3ccc(Br)cc3)C2=O)[C@@H](c2ccccc2)N1 ZINC000031717065 207385053 /nfs/dbraw/zinc/38/50/53/207385053.db2.gz GDEXKWLYGFZBDC-OAHLLOKOSA-N 0 3 383.249 2.709 40 0 GFABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096051808 208255846 /nfs/dbraw/zinc/25/58/46/208255846.db2.gz STUGPBLRTFENMN-IBGZPJMESA-N 0 3 382.508 2.993 40 0 GFABHN CC(C)c1ccc(CN2CC[C@@]3(CC(C(=O)NCCN4CCCC4)=NO3)C2)cc1 ZINC000096225593 208287880 /nfs/dbraw/zinc/28/78/80/208287880.db2.gz IZJNOFFGHOJYAE-HSZRJFAPSA-N 0 3 398.551 2.743 40 0 GFABHN CC(C)C[C@@H]1N[C@H](C(=O)NCCCN2CCCC2=O)Cc2c[nH]c3cccc1c23 ZINC000049171372 208452149 /nfs/dbraw/zinc/45/21/49/208452149.db2.gz FSRDOZILCJWBGZ-PMACEKPBSA-N 0 3 396.535 2.898 40 0 biogenic,in-vitro GFABHN CN(c1ccc(F)cc1)[C@@H]1COC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC000257287750 209069719 /nfs/dbraw/zinc/06/97/19/209069719.db2.gz PRJFFOUREWAOQQ-IBGZPJMESA-N 0 3 375.488 2.508 40 0 GFABHN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CN(Cc1ccccc1)CC2 ZINC000585261348 570228052 /nfs/dbraw/zinc/22/80/52/570228052.db2.gz LSUHQMCIWBRIOL-WXFUMESZSA-N 0 3 391.515 2.987 40 0 GFABHN CC(=O)N1CCN(C2CCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284224 570253479 /nfs/dbraw/zinc/25/34/79/570253479.db2.gz VWDRGDOXPCPPSE-NRFANRHFSA-N 0 3 378.488 2.741 40 0 GFABHN Cc1csc(Nc2cc([C@@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 ZINC000585291778 570260286 /nfs/dbraw/zinc/26/02/86/570260286.db2.gz FZXLDMMOCQOOCX-LLYBFZRZSA-N 0 3 386.525 2.727 40 0 GFABHN CC(C)(C)n1nnnc1[C@@H](c1ccncc1)N1CCN(C2CCCCC2)CC1 ZINC000022457875 570347262 /nfs/dbraw/zinc/34/72/62/570347262.db2.gz UUBDNYFPVBOGJK-LJQANCHMSA-N 0 3 383.544 2.863 40 0 GFABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3cccc(Cl)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382061 570353085 /nfs/dbraw/zinc/35/30/85/570353085.db2.gz BNYJALUBFSZOSP-UAFMIMERSA-N 0 3 389.927 2.944 40 0 biogenic,in-vitro GFABHN CN1CCN(CCCNC(=O)CSCc2c(Cl)cccc2Cl)CC1 ZINC000022829377 570377490 /nfs/dbraw/zinc/37/74/90/570377490.db2.gz OFESSDCZGOHLCF-UHFFFAOYSA-N 0 3 390.380 2.980 40 0 GFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccn1 ZINC000223254504 570453126 /nfs/dbraw/zinc/45/31/26/570453126.db2.gz HEZUABSYFCHVGY-VQTJNVASSA-N 0 3 392.532 2.801 40 0 GFABHN COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000224637233 570522076 /nfs/dbraw/zinc/52/20/76/570522076.db2.gz SVESUCWZBPLKBF-UHFFFAOYSA-N 0 3 378.469 2.909 40 0 GFABHN COc1ccc(OC)c([C@@H](O)CN2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734386 570568666 /nfs/dbraw/zinc/56/86/66/570568666.db2.gz ZHQHRAXXBPQXFL-PXNSSMCTSA-N 0 3 390.524 2.852 40 0 GFABHN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038836314 570587181 /nfs/dbraw/zinc/58/71/81/570587181.db2.gz OMNZALSRRKNOKR-KRWDZBQOSA-N 0 3 393.915 2.853 40 0 GFABHN CCOc1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292377 570633448 /nfs/dbraw/zinc/63/34/48/570633448.db2.gz CBAHOWOWCSFXRP-LJQANCHMSA-N 0 3 385.460 2.831 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O ZINC000585183583 571000726 /nfs/dbraw/zinc/00/07/26/571000726.db2.gz DSXRDKBCZOKSDD-JOCHJYFZSA-N 0 3 393.531 2.860 40 0 GFABHN Cc1nc(N[C@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329031190 206242838 /nfs/dbraw/zinc/24/28/38/206242838.db2.gz QHISMVKXFPLMND-LLVKDONJSA-N 0 3 377.286 2.903 40 0 GFABHN C[C@H](Oc1ccccc1F)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019079482 207100447 /nfs/dbraw/zinc/10/04/47/207100447.db2.gz CXPMOVBPKMCQAU-HNNXBMFYSA-N 0 3 398.482 2.777 40 0 GFABHN CC(=O)N1CCc2nc([C@H]3CCN(CCOc4cccc(C)c4)C3)ncc2C1 ZINC000019235187 207110272 /nfs/dbraw/zinc/11/02/72/207110272.db2.gz JMVWQDDTJDHDLO-SFHVURJKSA-N 0 3 380.492 2.558 40 0 GFABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078773 207101069 /nfs/dbraw/zinc/10/10/69/207101069.db2.gz YJCLPKUGIOVFLJ-AUUYWEPGSA-N 0 3 384.455 2.735 40 0 GFABHN COc1ccccc1O[C@H](C)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019079001 207101135 /nfs/dbraw/zinc/10/11/35/207101135.db2.gz ISWFOHMFCFPULT-QAPCUYQASA-N 0 3 396.491 2.652 40 0 GFABHN COc1cccc(CN2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1 ZINC000019131343 207104500 /nfs/dbraw/zinc/10/45/00/207104500.db2.gz ABJIKTQFPVRRND-QIDMFYOTSA-N 0 3 383.492 2.509 40 0 GFABHN Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c12 ZINC000019695539 207149025 /nfs/dbraw/zinc/14/90/25/207149025.db2.gz MGVOLBZBSYRBOX-ZDUSSCGKSA-N 0 3 396.417 2.708 40 0 GFABHN CN1CCc2nc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 ZINC000019590502 207142835 /nfs/dbraw/zinc/14/28/35/207142835.db2.gz PFTYEGPISJSKEX-IBGZPJMESA-N 0 3 390.491 2.637 40 0 GFABHN CNS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2CN2CCCC2)c1 ZINC000019659633 207145207 /nfs/dbraw/zinc/14/52/07/207145207.db2.gz PAMPYUDSKZXPLD-UHFFFAOYSA-N 0 3 391.468 2.582 40 0 GFABHN C[C@H](NC(=O)C1CCN(CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019654771 207145969 /nfs/dbraw/zinc/14/59/69/207145969.db2.gz PZDXCAIHQZDHRB-KRWDZBQOSA-N 0 3 395.503 2.985 40 0 GFABHN COc1ccc(CN2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244070 208293655 /nfs/dbraw/zinc/29/36/55/208293655.db2.gz XVVYLVXFSBIPGI-JOCHJYFZSA-N 0 3 380.492 2.981 40 0 GFABHN COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CCN(Cc3ccsc3)C2)cc1 ZINC000306135718 209104816 /nfs/dbraw/zinc/10/48/16/209104816.db2.gz OYMVQJCKPXBJHE-OAQYLSRUSA-N 0 3 394.500 2.923 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@H]1C2 ZINC000306131051 209099704 /nfs/dbraw/zinc/09/97/04/209099704.db2.gz JVIAUTCSXBNKOV-IAGOWNOFSA-N 0 3 391.450 2.974 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306126744 209097247 /nfs/dbraw/zinc/09/72/47/209097247.db2.gz FDULWWGQZVCOBF-LSDHHAIUSA-N 0 3 381.411 2.567 40 0 GFABHN Cc1ccc2nc3n(c2c1)[C@@H](CNCc1ccc(S(C)(=O)=O)cc1)COC3 ZINC000096112833 209009238 /nfs/dbraw/zinc/00/92/38/209009238.db2.gz KEEFAZCIOULYPR-INIZCTEOSA-N 0 3 385.489 2.609 40 0 biogenic,in-vitro GFABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1scnc1C)CC2 ZINC000248034235 209029977 /nfs/dbraw/zinc/02/99/77/209029977.db2.gz MWZXIIGCMZXUCI-SFHVURJKSA-N 0 3 377.554 2.939 40 0 GFABHN CC(=O)Nc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)s1 ZINC000257258450 209061652 /nfs/dbraw/zinc/06/16/52/209061652.db2.gz KTXKTGSRSKHOLI-QCUYGVNKSA-N 0 3 376.526 2.887 40 0 GFABHN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257247262 209058975 /nfs/dbraw/zinc/05/89/75/209058975.db2.gz IYEOVXHQCHDUBG-IBGZPJMESA-N 0 3 392.450 2.651 40 0 GFABHN CN(C)CCOc1cccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257305309 209072992 /nfs/dbraw/zinc/07/29/92/209072992.db2.gz SPIVKUUVXPTEPA-GMAHTHKFSA-N 0 3 398.503 2.672 40 0 GFABHN CCOc1ncc([C@@]2(O)CC[C@@H]3CN(Cc4ccncc4C)C[C@@H]32)c(OCC)n1 ZINC000012134788 570614174 /nfs/dbraw/zinc/61/41/74/570614174.db2.gz MSBQDKBXVDWXEH-LZNRXBQRSA-N 0 3 398.507 2.707 40 0 GFABHN COc1ccccc1CN(CCN(C)C)C(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC000012238265 570629459 /nfs/dbraw/zinc/62/94/59/570629459.db2.gz UWGJZPYYTPNJIE-SFHVURJKSA-N 0 3 381.476 2.711 40 0 GFABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000044904675 570641144 /nfs/dbraw/zinc/64/11/44/570641144.db2.gz ONANFVFOLJREDU-UHFFFAOYSA-N 0 3 387.933 2.707 40 0 GFABHN CCN(Cc1c(C)onc1-c1ccccc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257242397 570768420 /nfs/dbraw/zinc/76/84/20/570768420.db2.gz ICHIHKRZXVJKEI-OAQYLSRUSA-N 0 3 394.479 2.820 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183639 571001175 /nfs/dbraw/zinc/00/11/75/571001175.db2.gz XQFGLQOGSWLPRI-NRFANRHFSA-N 0 3 393.531 2.860 40 0 GFABHN COc1ccc(Cl)cc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000328969455 571048099 /nfs/dbraw/zinc/04/80/99/571048099.db2.gz DEGJZOILSOKLQW-UHFFFAOYSA-N 0 3 398.898 2.762 40 0 GFABHN Cc1nc(N[C@H](C)CO)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329029605 206240284 /nfs/dbraw/zinc/24/02/84/206240284.db2.gz PZLFVNKCRVJBDW-LLVKDONJSA-N 0 3 377.286 2.903 40 0 GFABHN CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000019021843 207101919 /nfs/dbraw/zinc/10/19/19/207101919.db2.gz JDWCTAAWCUOVRE-QGZVFWFLSA-N 0 3 381.455 2.696 40 0 GFABHN CC(=O)N1CCc2nc([C@@H]3CCN(CCOc4cccc(C)c4)C3)ncc2C1 ZINC000019235186 207108935 /nfs/dbraw/zinc/10/89/35/207108935.db2.gz JMVWQDDTJDHDLO-GOSISDBHSA-N 0 3 380.492 2.558 40 0 GFABHN COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)ccc1OC(F)F ZINC000019286348 207113551 /nfs/dbraw/zinc/11/35/51/207113551.db2.gz LDAGHZXEMALIOE-KGLIPLIRSA-N 0 3 391.418 2.820 40 0 GFABHN COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)ccc1OC(F)F ZINC000019286348 207113554 /nfs/dbraw/zinc/11/35/54/207113554.db2.gz LDAGHZXEMALIOE-KGLIPLIRSA-N 0 3 391.418 2.820 40 0 GFABHN C[C@H]1Cc2cc(CCC(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019498130 207124938 /nfs/dbraw/zinc/12/49/38/207124938.db2.gz IILXNRFTHARSIB-MGPUTAFESA-N 0 3 392.503 2.742 40 0 GFABHN CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523942 207127831 /nfs/dbraw/zinc/12/78/31/207127831.db2.gz YYGCXNQRHMSLEF-QGZVFWFLSA-N 0 3 384.528 2.665 40 0 GFABHN CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523942 207127835 /nfs/dbraw/zinc/12/78/35/207127835.db2.gz YYGCXNQRHMSLEF-QGZVFWFLSA-N 0 3 384.528 2.665 40 0 GFABHN CCCc1cc(C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)no1 ZINC000019525273 207128344 /nfs/dbraw/zinc/12/83/44/207128344.db2.gz YIRQGBSIROQBOP-OAHLLOKOSA-N 0 3 396.495 2.563 40 0 GFABHN CCOc1cc(CN2CCC[C@@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC ZINC000019531998 207130283 /nfs/dbraw/zinc/13/02/83/207130283.db2.gz XXVPSXOGLBHACO-MRXNPFEDSA-N 0 3 387.480 2.703 40 0 GFABHN CC(C)NC(=O)[C@H]1CN(Cc2ccsc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450091 207121239 /nfs/dbraw/zinc/12/12/39/207121239.db2.gz IUJBALGLLKHXBJ-ROUUACIJSA-N 0 3 399.564 2.879 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019572905 207137958 /nfs/dbraw/zinc/13/79/58/207137958.db2.gz IWZCHNXLAKDKNH-XLIONFOSSA-N 0 3 396.539 2.983 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)c1 ZINC000019588310 207139349 /nfs/dbraw/zinc/13/93/49/207139349.db2.gz PAPTZHLFRXXCFI-UHFFFAOYSA-N 0 3 396.491 2.502 40 0 GFABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019556789 207132639 /nfs/dbraw/zinc/13/26/39/207132639.db2.gz OQLDYGGEGQEGRY-JLTOFOAXSA-N 0 3 396.539 2.586 40 0 GFABHN COCc1ccc(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019590692 207142349 /nfs/dbraw/zinc/14/23/49/207142349.db2.gz COITXFAPXWPULE-UHFFFAOYSA-N 0 3 380.492 2.631 40 0 GFABHN Cc1[nH]c2ccccc2c1C(=O)N1CCc2nnc(C3CCN(C)CC3)n2CC1 ZINC000019708982 207150547 /nfs/dbraw/zinc/15/05/47/207150547.db2.gz LSRNOWLOGQTGCQ-UHFFFAOYSA-N 0 3 392.507 2.576 40 0 GFABHN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)C1 ZINC000019709289 207151088 /nfs/dbraw/zinc/15/10/88/207151088.db2.gz HDDJUNGYZWDZMU-HXUWFJFHSA-N 0 3 381.524 2.679 40 0 GFABHN Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)c1 ZINC000019710996 207152730 /nfs/dbraw/zinc/15/27/30/207152730.db2.gz XRGVXBPEKKQLJD-QGZVFWFLSA-N 0 3 397.523 2.596 40 0 GFABHN C[NH+](C)CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000030855585 207375197 /nfs/dbraw/zinc/37/51/97/207375197.db2.gz HBVFQQQVDZWQHP-UHFFFAOYSA-N 0 3 395.912 2.822 40 0 GFABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076235 208262169 /nfs/dbraw/zinc/26/21/69/208262169.db2.gz YWUQAUHYHWUCHU-HXUWFJFHSA-N 0 3 390.915 2.951 40 0 GFABHN Cc1noc(C)c1CN1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096100426 208263017 /nfs/dbraw/zinc/26/30/17/208263017.db2.gz ZCISYPHFEBKTTL-UHFFFAOYSA-N 0 3 385.512 2.809 40 0 GFABHN Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CCN(Cc4ccco4)CC3)O2)cc1 ZINC000306134608 209101231 /nfs/dbraw/zinc/10/12/31/209101231.db2.gz NTMLDRYZCPOYEA-OAQYLSRUSA-N 0 3 397.519 2.570 40 0 GFABHN COc1ccc(CN2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 ZINC000306129220 209100067 /nfs/dbraw/zinc/10/00/67/209100067.db2.gz HXUHJPOHYJCNCI-QHCPKHFHSA-N 0 3 388.471 2.861 40 0 GFABHN COCCN1CC[C@]2(CN(Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129922 209099900 /nfs/dbraw/zinc/09/99/00/209099900.db2.gz IQQLTRAKSMRJIT-WIYYLYMNSA-N 0 3 386.496 2.522 40 0 GFABHN Cn1cc(-c2ccc3nnc(C4CCN(Cc5ccsc5)CC4)n3n2)cn1 ZINC000306122978 209095644 /nfs/dbraw/zinc/09/56/44/209095644.db2.gz ABFUDCLDDPUPIS-UHFFFAOYSA-N 0 3 379.493 2.966 40 0 GFABHN CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(OCCN2CCCC2)cc1 ZINC000257268458 209065234 /nfs/dbraw/zinc/06/52/34/209065234.db2.gz MLTCBSZJGLWRHF-NHCUHLMSSA-N 0 3 399.535 2.777 40 0 GFABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CNC(C)=O)C3)c2)cc1 ZINC000257282302 209066421 /nfs/dbraw/zinc/06/64/21/209066421.db2.gz OTFRARFRYHFAGB-QGZVFWFLSA-N 0 3 396.491 2.984 40 0 GFABHN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000073257866 222269168 /nfs/dbraw/zinc/26/91/68/222269168.db2.gz CGPNWVMBMDTTMA-RTWAWAEBSA-N 0 3 398.503 2.839 40 0 GFABHN NC[C@@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535380 553053856 /nfs/dbraw/zinc/05/38/56/553053856.db2.gz SDLAFJXOWAOMLD-YESZJQIVSA-N 0 3 386.300 2.871 40 0 GFABHN CN1CCN(Cc2nc(C3(O)CCN(CC4CCCCC4)CC3)cs2)CC1 ZINC000225471552 560043226 /nfs/dbraw/zinc/04/32/26/560043226.db2.gz RIVSLPZSVJWPBK-UHFFFAOYSA-N 0 3 392.613 2.754 40 0 biogenic,in-vitro GFABHN CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCN(C2CCCCC2)CC1 ZINC000022584590 570348379 /nfs/dbraw/zinc/34/83/79/570348379.db2.gz DYPHMVSEMUELLT-LJQANCHMSA-N 0 3 383.544 2.863 40 0 GFABHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000055407199 570350099 /nfs/dbraw/zinc/35/00/99/570350099.db2.gz SUFUKTFASVRDSI-QKNQBKEWSA-N 0 3 385.552 2.704 40 0 GFABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccc(F)c(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382584 570353281 /nfs/dbraw/zinc/35/32/81/570353281.db2.gz SRXOYRVRFWAGGT-XNFNUYLZSA-N 0 3 391.462 2.568 40 0 biogenic,in-vitro GFABHN C[C@@H](O)CN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185765 570620274 /nfs/dbraw/zinc/62/02/74/570620274.db2.gz YWAQLHWCUUBRFF-MRXNPFEDSA-N 0 3 382.460 2.925 40 0 GFABHN COc1ccc([C@H](O)CN2CCC(NC(C)=O)(c3ccccc3)CC2)cc1OC ZINC000012188402 570621766 /nfs/dbraw/zinc/62/17/66/570621766.db2.gz AAGWMJJXSISQLQ-HXUWFJFHSA-N 0 3 398.503 2.865 40 0 GFABHN Cc1nc(SCCNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000225904123 570632320 /nfs/dbraw/zinc/63/23/20/570632320.db2.gz GOPTVCYSRDYNMK-OAHLLOKOSA-N 0 3 393.944 2.887 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218526835 570924963 /nfs/dbraw/zinc/92/49/63/570924963.db2.gz DFNOHQDZDNWXQD-AOIWGVFYSA-N 0 3 393.892 2.788 40 0 GFABHN c1ccc([C@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369611 570925313 /nfs/dbraw/zinc/92/53/13/570925313.db2.gz RCRASJLIYQLENX-LEWJYISDSA-N 0 3 396.539 2.502 40 0 GFABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103289 570931624 /nfs/dbraw/zinc/93/16/24/570931624.db2.gz BHJPOOBGRBCKAV-LJQANCHMSA-N 0 3 398.482 2.759 40 0 GFABHN COc1cccc(CN2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC ZINC000019567907 210265744 /nfs/dbraw/zinc/26/57/44/210265744.db2.gz JESSVTLLUJSAGT-INIZCTEOSA-N 0 3 394.479 2.665 40 0 GFABHN CCOc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019533596 210259936 /nfs/dbraw/zinc/25/99/36/210259936.db2.gz NGFSBRDTKUOEIG-FOIQADDNSA-N 0 3 396.491 2.652 40 0 GFABHN C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 ZINC000019497926 210253484 /nfs/dbraw/zinc/25/34/84/210253484.db2.gz SHPAOOXBTXFXTM-DOTOQJQBSA-N 0 3 392.503 2.808 40 0 GFABHN Cc1ccc(CC(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)cc1 ZINC000019209269 210228881 /nfs/dbraw/zinc/22/88/81/210228881.db2.gz FYRCQECHNHYGGQ-LJQANCHMSA-N 0 3 391.519 2.860 40 0 GFABHN COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019134281 210227104 /nfs/dbraw/zinc/22/71/04/210227104.db2.gz HJKJWWLCUNIABB-SFHVURJKSA-N 0 3 396.491 2.524 40 0 GFABHN COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078797 210223637 /nfs/dbraw/zinc/22/36/37/210223637.db2.gz FSUXKVBEFDDMMY-MAUKXSAKSA-N 0 3 396.491 2.604 40 0 GFABHN COc1ccccc1CN1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1 ZINC000019018898 210223466 /nfs/dbraw/zinc/22/34/66/210223466.db2.gz LJJYLDMBAUJXDH-UHFFFAOYSA-N 0 3 380.492 2.769 40 0 GFABHN Cc1csc(CN2CC3(C2)C[C@H](COc2ncccc2F)CCN3C)n1 ZINC000306141745 212055831 /nfs/dbraw/zinc/05/58/31/212055831.db2.gz WFBLZHPTQUHFIT-OAHLLOKOSA-N 0 3 376.501 2.961 40 0 GFABHN CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CCN(Cc3ccoc3)CC2)O1 ZINC000306144534 212055517 /nfs/dbraw/zinc/05/55/17/212055517.db2.gz ZICHJTOGLCTLCG-OAQYLSRUSA-N 0 3 397.519 2.603 40 0 GFABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306133521 212051018 /nfs/dbraw/zinc/05/10/18/212051018.db2.gz MNUXUEYEUXNZPM-UHFFFAOYSA-N 0 3 397.498 2.786 40 0 GFABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccc(F)cc2)CC1 ZINC000306123708 212044329 /nfs/dbraw/zinc/04/43/29/212044329.db2.gz AUHTYNJSTFAQRT-UHFFFAOYSA-N 0 3 385.487 2.786 40 0 GFABHN CC(C)CS(=O)(=O)N[C@H]1CCCC[C@]12CN(C[C@@H]1CC=CCC1)CCO2 ZINC000306123908 212044966 /nfs/dbraw/zinc/04/49/66/212044966.db2.gz BAHBELYJQDXKMC-AABGKKOBSA-N 0 3 384.586 2.932 40 0 GFABHN CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCCN2C)c1 ZINC000257318080 212023957 /nfs/dbraw/zinc/02/39/57/212023957.db2.gz VMKKKWKKKXFYGJ-IBGZPJMESA-N 0 3 380.492 2.599 40 0 GFABHN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CNC(C)=O)C3)c2)cc1 ZINC000257282301 212015929 /nfs/dbraw/zinc/01/59/29/212015929.db2.gz OTFRARFRYHFAGB-KRWDZBQOSA-N 0 3 396.491 2.984 40 0 GFABHN Cc1noc(C)c1-c1cnc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)cn1 ZINC000257259657 212012120 /nfs/dbraw/zinc/01/21/20/212012120.db2.gz KZJPPHPUWUYKIB-KRWDZBQOSA-N 0 3 397.523 2.871 40 0 GFABHN CCN(Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000257250707 212011474 /nfs/dbraw/zinc/01/14/74/212011474.db2.gz JNRUDQBCAHELSL-QHCPKHFHSA-N 0 3 397.519 2.595 40 0 GFABHN CN(C)CCNc1nc(NCc2ccccc2Cl)cc(-c2ccccn2)n1 ZINC000329032683 209156971 /nfs/dbraw/zinc/15/69/71/209156971.db2.gz QOYVTPFRDGRDPN-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN COC(=O)C[C@@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598387 211744303 /nfs/dbraw/zinc/74/43/03/211744303.db2.gz NFQOYGSKVUFULD-GLHSZLCASA-N 0 3 392.455 2.767 40 0 GFABHN COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]32)N=C1C ZINC000096261517 211326697 /nfs/dbraw/zinc/32/66/97/211326697.db2.gz XKJCQHILIYXTLW-IMFGXOCKSA-N 0 3 375.900 2.828 40 0 GFABHN Cc1noc(C)c1CN1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 ZINC000096260382 211326482 /nfs/dbraw/zinc/32/64/82/211326482.db2.gz KVHLNCCMVKPXBA-UHFFFAOYSA-N 0 3 397.523 2.589 40 0 GFABHN COc1cccc(-c2nc3c(s2)N(C(C)C)[C@H](C(=O)NCCN(C)C)C3)c1 ZINC000096264493 211326544 /nfs/dbraw/zinc/32/65/44/211326544.db2.gz MQPZZFFLOOXGST-KRWDZBQOSA-N 0 3 388.537 2.636 40 0 GFABHN CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccccn1)CC2 ZINC000096260506 211326344 /nfs/dbraw/zinc/32/63/44/211326344.db2.gz WRFFSPBIPRQCBS-UHFFFAOYSA-N 0 3 381.524 2.847 40 0 GFABHN Cc1cccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)c1 ZINC000096243603 211325440 /nfs/dbraw/zinc/32/54/40/211325440.db2.gz YMZOCPALGMDXEP-HXUWFJFHSA-N 0 3 394.519 2.608 40 0 GFABHN COc1ccccc1[C@@]1(O)CCC[C@@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]21 ZINC000072340987 211092675 /nfs/dbraw/zinc/09/26/75/211092675.db2.gz YYVYQVXDOZCAFN-JUXOCIIHSA-N 0 3 382.508 2.671 40 0 GFABHN Cc1cc(Nc2cc([C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)nc(C)n2)n[nH]1 ZINC000072360854 211100129 /nfs/dbraw/zinc/10/01/29/211100129.db2.gz SWRXHCVAZFDEFS-KRWDZBQOSA-N 0 3 397.527 2.608 40 0 GFABHN CC[C@H](c1ccc(F)cc1)N(C)C(=O)C1CN(C(=O)C2CCN(C)CC2)C1 ZINC000019747572 210290995 /nfs/dbraw/zinc/29/09/95/210290995.db2.gz FCGJXTXTYDQQTK-LJQANCHMSA-N 0 3 375.488 2.535 40 0 GFABHN Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@@H]3CCCN(C)C3)C2)ccc1F ZINC000019711124 210286789 /nfs/dbraw/zinc/28/67/89/210286789.db2.gz OVPKBGKVRXYYFF-GOSISDBHSA-N 0 3 399.514 2.900 40 0 GFABHN COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc(OC)c1 ZINC000019595146 210276140 /nfs/dbraw/zinc/27/61/40/210276140.db2.gz XLNCKDPXAFISKF-PCCBWWKXSA-N 0 3 382.504 2.566 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019572897 210268655 /nfs/dbraw/zinc/26/86/55/210268655.db2.gz IWZCHNXLAKDKNH-FXAWDEMLSA-N 0 3 396.539 2.983 40 0 GFABHN CN1CCc2nc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 ZINC000019590510 210272174 /nfs/dbraw/zinc/27/21/74/210272174.db2.gz BMMVTEYVDHJAMA-FQEVSTJZSA-N 0 3 390.491 2.568 40 0 GFABHN CN1CCN(c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)CC1 ZINC000013562996 136201230 /nfs/dbraw/zinc/20/12/30/136201230.db2.gz OODMPAKHPSLNTJ-UHFFFAOYSA-N 0 3 392.459 2.621 40 0 GFABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc4c(c2)OCO4)C3)cc1 ZINC000096269260 560054140 /nfs/dbraw/zinc/05/41/40/560054140.db2.gz BVIFZZHPNADCKW-SFHVURJKSA-N 0 3 393.443 2.976 40 0 biogenic,in-vitro GFABHN CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2OC)nn1C ZINC000015672391 560096262 /nfs/dbraw/zinc/09/62/62/560096262.db2.gz DYHVNLKBEDVOEI-JZXOWHBKSA-N 0 3 397.523 2.593 40 0 biogenic,in-vitro GFABHN OC1(CN2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 ZINC000585282001 570249606 /nfs/dbraw/zinc/24/96/06/570249606.db2.gz FDMAALIPXFJPJQ-FQEVSTJZSA-N 0 3 383.916 2.867 40 0 GFABHN CN(C)C/C=C/C(=O)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000585292564 570261948 /nfs/dbraw/zinc/26/19/48/570261948.db2.gz OPOVEZFDXPAQKN-CSPWOOARSA-N 0 3 386.525 2.576 40 0 GFABHN COc1cc(OC)cc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000025224469 570413569 /nfs/dbraw/zinc/41/35/69/570413569.db2.gz HAKZDLGABUKOFJ-FQEVSTJZSA-N 0 3 393.443 2.649 40 0 GFABHN CC(C)C[C@H]1CC(=O)N(C2(C(=O)NCCc3ccccc3)CCN(C)CC2)C1 ZINC000033436029 570526758 /nfs/dbraw/zinc/52/67/58/570526758.db2.gz KKKHHHQRGYHKIK-FQEVSTJZSA-N 0 3 385.552 2.704 40 0 GFABHN CCc1nn2c(nnc3c2ccn(CCN(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395886 570600511 /nfs/dbraw/zinc/60/05/11/570600511.db2.gz LZAJUSOOUABGTI-UHFFFAOYSA-N 0 3 396.882 2.884 40 0 GFABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225680914 570602283 /nfs/dbraw/zinc/60/22/83/570602283.db2.gz DBIVXHIYUHDBLL-AWEZNQCLSA-N 0 3 397.566 2.533 40 0 GFABHN CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 ZINC000257204258 570887575 /nfs/dbraw/zinc/88/75/75/570887575.db2.gz ATSPNJYHGGRMPU-KZNAEPCWSA-N 0 3 399.539 2.514 40 0 GFABHN CNc1cc(CN(C)Cc2ccc(N3CCCC3=O)cc2)nc([C@H]2CCCN2)n1 ZINC000019760678 570888676 /nfs/dbraw/zinc/88/86/76/570888676.db2.gz NPQYPRMCDZKCJD-LJQANCHMSA-N 0 3 394.523 2.702 40 0 GFABHN Cc1ccc(CN2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)s1 ZINC000585095291 570921790 /nfs/dbraw/zinc/92/17/90/570921790.db2.gz NQIVVCOLRYPOPE-KRWDZBQOSA-N 0 3 375.538 2.985 40 0 GFABHN Cc1noc(C)c1CN1C[C@]2(CC1=O)COCCN(Cc1cccc(C)c1)C2 ZINC000585104368 570932994 /nfs/dbraw/zinc/93/29/94/570932994.db2.gz LFKLBIONHOBFNX-JOCHJYFZSA-N 0 3 383.492 2.851 40 0 GFABHN CCn1cnc2sc(C(=O)NCC(C)(C)N3CCCCC3)c(C)c2c1=O ZINC000019717361 571039502 /nfs/dbraw/zinc/03/95/02/571039502.db2.gz UOEDVMPATMPRHI-UHFFFAOYSA-N 0 3 376.526 2.781 40 0 GFABHN COc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1F ZINC000328956383 571046800 /nfs/dbraw/zinc/04/68/00/571046800.db2.gz AFTMJDQDSLJLHR-UHFFFAOYSA-N 0 3 381.455 2.852 40 0 GFABHN CCOc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019533590 210259927 /nfs/dbraw/zinc/25/99/27/210259927.db2.gz NGFSBRDTKUOEIG-YWZLYKJASA-N 0 3 396.491 2.652 40 0 GFABHN CC(C)NC(=O)[C@H]1CN(Cc2cccs2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450089 210248033 /nfs/dbraw/zinc/24/80/33/210248033.db2.gz YVRXGSSMTDFHEA-ROUUACIJSA-N 0 3 399.564 2.879 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019014466 210222555 /nfs/dbraw/zinc/22/25/55/210222555.db2.gz SWAILVFTAAUJJV-WMZOPIPTSA-N 0 3 396.535 2.600 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019014466 210222560 /nfs/dbraw/zinc/22/25/60/210222560.db2.gz SWAILVFTAAUJJV-WMZOPIPTSA-N 0 3 396.535 2.600 40 0 GFABHN Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306132735 212049224 /nfs/dbraw/zinc/04/92/24/212049224.db2.gz LQORPFSXRMOYIO-GJZGRUSLSA-N 0 3 394.504 2.600 40 0 GFABHN COCCN1CC[C@@]2(CN(Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129921 212047502 /nfs/dbraw/zinc/04/75/02/212047502.db2.gz IQQLTRAKSMRJIT-RXVVDRJESA-N 0 3 386.496 2.522 40 0 GFABHN COc1ccc(-c2nnc3n2C2(CCN(Cc4ccco4)CC2)CN(C)C3)cc1 ZINC000306125884 212045671 /nfs/dbraw/zinc/04/56/71/212045671.db2.gz DEQQHJZDDAYIGK-UHFFFAOYSA-N 0 3 393.491 2.983 40 0 GFABHN C[C@]12CCN(C(=O)CN)[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000257340489 212027104 /nfs/dbraw/zinc/02/71/04/212027104.db2.gz ZGJLGDKEVRFCGV-LPHOPBHVSA-N 0 3 397.441 2.926 40 0 GFABHN CSc1ccccc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000329037516 209156929 /nfs/dbraw/zinc/15/69/29/209156929.db2.gz RNZBQCILRDNUCP-UHFFFAOYSA-N 0 3 380.521 2.821 40 0 GFABHN Cc1ccc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)c(Br)c1 ZINC000328978392 209154898 /nfs/dbraw/zinc/15/48/98/209154898.db2.gz FYPOYVLOAIUDBL-UHFFFAOYSA-N 0 3 390.329 2.986 40 0 GFABHN CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(Cc1cccnc1)CC2 ZINC000096260507 211327000 /nfs/dbraw/zinc/32/70/00/211327000.db2.gz NOOIVBOVBCXYGK-UHFFFAOYSA-N 0 3 381.524 2.847 40 0 GFABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCc4cccnc4)cn32)CC1 ZINC000096091614 211300586 /nfs/dbraw/zinc/30/05/86/211300586.db2.gz VMSFGXMFLHRSFH-UHFFFAOYSA-N 0 3 377.492 2.795 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000072390764 211108554 /nfs/dbraw/zinc/10/85/54/211108554.db2.gz RUBDUIZSCNFHGY-OXJNMPFZSA-N 0 3 380.492 2.952 40 0 GFABHN CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3cccc(F)c3)C2)CC1 ZINC000072346252 211095957 /nfs/dbraw/zinc/09/59/57/211095957.db2.gz HHOMLTGPCQIOKJ-KRWDZBQOSA-N 0 3 397.498 2.913 40 0 GFABHN Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCN1CCC(C(N)=O)CC1 ZINC000019718680 210289854 /nfs/dbraw/zinc/28/98/54/210289854.db2.gz SEKPDECFVGLNRV-UHFFFAOYSA-N 0 3 388.899 2.514 40 0 GFABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000019698142 210280835 /nfs/dbraw/zinc/28/08/35/210280835.db2.gz KFXGIKBBWFMJAO-JOCHJYFZSA-N 0 3 394.519 2.884 40 0 GFABHN CN1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 ZINC000019590585 210273861 /nfs/dbraw/zinc/27/38/61/210273861.db2.gz KYIFJTRQWKKSOH-QGZVFWFLSA-N 0 3 392.912 2.644 40 0 GFABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(NC(C)=O)cc2)COC1 ZINC000096112681 560060638 /nfs/dbraw/zinc/06/06/38/560060638.db2.gz DQHJAYHPJXNIDF-KRWDZBQOSA-N 0 3 380.448 2.864 40 0 biogenic,in-vitro GFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1C ZINC000020801253 570281333 /nfs/dbraw/zinc/28/13/33/570281333.db2.gz LLOGGXDSZYYIBL-UXHICEINSA-N 0 3 391.471 2.760 40 0 GFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccccc1C ZINC000020801257 570281397 /nfs/dbraw/zinc/28/13/97/570281397.db2.gz LLOGGXDSZYYIBL-PMACEKPBSA-N 0 3 391.471 2.760 40 0 GFABHN CSc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1NC(C)=O ZINC000260808249 570708191 /nfs/dbraw/zinc/70/81/91/570708191.db2.gz HPGYEOOSRPVAEM-AWEZNQCLSA-N 0 3 399.582 2.767 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598548 570931708 /nfs/dbraw/zinc/93/17/08/570931708.db2.gz NHVPZIMWEBWGRF-CMKODMSKSA-N 0 3 391.464 2.582 40 0 GFABHN CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 ZINC000019527168 210256662 /nfs/dbraw/zinc/25/66/62/210256662.db2.gz KXVMXQXPWOBIJM-NRFANRHFSA-N 0 3 380.540 2.958 40 0 GFABHN CCc1noc(CC)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019521322 210255334 /nfs/dbraw/zinc/25/53/34/210255334.db2.gz JKIPURJEPMHZFL-CQSZACIVSA-N 0 3 383.496 2.597 40 0 GFABHN COc1cc2c(cc1O)CCN(Cc1cn(CC(N)=O)c3ccccc13)[C@@H]2C ZINC000019498327 210252765 /nfs/dbraw/zinc/25/27/65/210252765.db2.gz AECPPGWFNDDDJC-CQSZACIVSA-N 0 3 379.460 2.960 40 0 GFABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)c2C1 ZINC000019497123 210252388 /nfs/dbraw/zinc/25/23/88/210252388.db2.gz IDEOWRDIRPUADZ-CXAGYDPISA-N 0 3 381.480 2.555 40 0 GFABHN CC(C)N1C[C@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1=O ZINC000019447646 210249659 /nfs/dbraw/zinc/24/96/59/210249659.db2.gz QHCPDTGNTGAIFW-MVBMGLOESA-N 0 3 399.535 2.565 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448257 210248669 /nfs/dbraw/zinc/24/86/69/210248669.db2.gz BTSBVYBFTTXSNE-IBGZPJMESA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448257 210248672 /nfs/dbraw/zinc/24/86/72/210248672.db2.gz BTSBVYBFTTXSNE-IBGZPJMESA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3F)[n-]c(=O)c2C1 ZINC000019448297 210248010 /nfs/dbraw/zinc/24/80/10/210248010.db2.gz HPFMJTIDJJHBJI-SFHVURJKSA-N 0 3 384.455 2.653 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3F)[n-]c(=O)c2C1 ZINC000019448297 210248015 /nfs/dbraw/zinc/24/80/15/210248015.db2.gz HPFMJTIDJJHBJI-SFHVURJKSA-N 0 3 384.455 2.653 40 0 GFABHN COc1ccc(C)cc1CC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019133087 210226780 /nfs/dbraw/zinc/22/67/80/210226780.db2.gz JBKVPBPEKZJXKW-UHFFFAOYSA-N 0 3 394.519 2.730 40 0 GFABHN CN1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)ncc2C1 ZINC000019083642 210225558 /nfs/dbraw/zinc/22/55/58/210225558.db2.gz NFOUQJZMVXMVOW-QGZVFWFLSA-N 0 3 382.512 2.853 40 0 GFABHN CC(=O)NCCn1nc([C@@H]2CCN(Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019021585 210223666 /nfs/dbraw/zinc/22/36/66/210223666.db2.gz SACJJKJDZRKCDU-MRXNPFEDSA-N 0 3 398.898 2.605 40 0 GFABHN COc1ccccc1CN1CC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000019021849 210223537 /nfs/dbraw/zinc/22/35/37/210223537.db2.gz UTDKEJCSVPMTBZ-GOSISDBHSA-N 0 3 393.491 2.566 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccsc2)CC1 ZINC000306141731 212055697 /nfs/dbraw/zinc/05/56/97/212055697.db2.gz WEXXDYKNEHXZDX-UHFFFAOYSA-N 0 3 385.537 2.851 40 0 GFABHN Cc1csc(CN2CC3(C2)C[C@@H](COc2ncccc2F)CCN3C)n1 ZINC000306141744 212055181 /nfs/dbraw/zinc/05/51/81/212055181.db2.gz WFBLZHPTQUHFIT-HNNXBMFYSA-N 0 3 376.501 2.961 40 0 GFABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccncc2)CC1 ZINC000306126325 212044710 /nfs/dbraw/zinc/04/47/10/212044710.db2.gz DSPORRNAHHAZON-UHFFFAOYSA-N 0 3 396.539 2.678 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000257316632 212024861 /nfs/dbraw/zinc/02/48/61/212024861.db2.gz VGJXPZBSNYXZTR-MJGOQNOKSA-N 0 3 377.916 2.850 40 0 GFABHN O=C(CN1CCCCCC1)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257206916 212003921 /nfs/dbraw/zinc/00/39/21/212003921.db2.gz BFLQCOQXZCZLOW-QGZVFWFLSA-N 0 3 382.512 2.524 40 0 GFABHN CC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(OC)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257206125 212003711 /nfs/dbraw/zinc/00/37/11/212003711.db2.gz BBYYSLGYQMQCHN-BIJUBFLFSA-N 0 3 388.508 2.898 40 0 GFABHN CN1CC2(CCN(Cc3ccccc3)CC2)COc2ccccc2S1(=O)=O ZINC000096263481 211326766 /nfs/dbraw/zinc/32/67/66/211326766.db2.gz XPWZSHNERZFCII-UHFFFAOYSA-N 0 3 386.517 2.982 40 0 GFABHN O=C(CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1)NCc1ccccn1 ZINC000019715559 210285545 /nfs/dbraw/zinc/28/55/45/210285545.db2.gz IIBHVGHBMRYYEV-HNNXBMFYSA-N 0 3 381.455 2.668 40 0 GFABHN Cc1n[nH]c(C)c1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019578644 210270985 /nfs/dbraw/zinc/27/09/85/210270985.db2.gz PIRLJVRYXSIKGY-UHFFFAOYSA-N 0 3 382.508 2.891 40 0 GFABHN CN1CC[C@@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 ZINC000019587902 210273700 /nfs/dbraw/zinc/27/37/00/210273700.db2.gz BMAKGQJUFCIKLX-QGZVFWFLSA-N 0 3 395.482 2.739 40 0 GFABHN CN1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 ZINC000019590395 210273275 /nfs/dbraw/zinc/27/32/75/210273275.db2.gz BXWUTIHUGQVDAL-KRWDZBQOSA-N 0 3 382.483 2.942 40 0 GFABHN C[C@@H]1CN(c2nccc(CN3CCN([C@@H]4CCCC[C@@H]4C)CC3)n2)C[C@H](C)O1 ZINC000019496161 136202374 /nfs/dbraw/zinc/20/23/74/136202374.db2.gz OYHFXGNONNTNNM-CTAFRAEOSA-N 0 3 387.572 2.787 40 0 GFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408708285 529076960 /nfs/dbraw/zinc/07/69/60/529076960.db2.gz XGKBSPAIRGXWMN-HXUWFJFHSA-N 0 3 379.504 2.535 40 0 GFABHN CC[C@H](C)n1ncn(-c2cc(-c3ccc(O)cc3)ccc2N2CCNCC2)c1=O ZINC000098177457 536047710 /nfs/dbraw/zinc/04/77/10/536047710.db2.gz QMHXFKJFFPQUQV-INIZCTEOSA-N 0 3 393.491 2.787 40 0 GFABHN COC[C@H]1CCCN1Cc1nc(C2(O)CCN(C3CCCC3)CC2)cs1 ZINC000225466079 560043374 /nfs/dbraw/zinc/04/33/74/560043374.db2.gz VMCJGJVESDYNQU-QGZVFWFLSA-N 0 3 379.570 2.980 40 0 biogenic,in-vitro GFABHN CN(C)CCNC(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 ZINC000072356283 570339447 /nfs/dbraw/zinc/33/94/47/570339447.db2.gz NOOOEOVDSISAFS-HXUWFJFHSA-N 0 3 379.504 2.714 40 0 GFABHN COCCN1C(=O)C(CC(=O)Nc2cccc(C)c2)n2c3ccccc3nc21 ZINC000039963956 570594471 /nfs/dbraw/zinc/59/44/71/570594471.db2.gz ZTPQNRQLFRSHIO-GOSISDBHSA-N 0 3 378.432 2.908 40 0 GFABHN COc1ccc(-c2nc(C)sc2CC(=O)N(C)CCN(C)C)cc1OC ZINC000012238243 570629647 /nfs/dbraw/zinc/62/96/47/570629647.db2.gz PAFMFIMBQUYKQP-UHFFFAOYSA-N 0 3 377.510 2.698 40 0 GFABHN COc1nc(-c2ccccc2)nc(C)c1CC(=O)N(C)CCN1CCCCC1 ZINC000012360866 570645747 /nfs/dbraw/zinc/64/57/47/570645747.db2.gz BZRUZFAUYHVQMY-UHFFFAOYSA-N 0 3 382.508 2.947 40 0 GFABHN O=C(CNC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000902133 570724696 /nfs/dbraw/zinc/72/46/96/570724696.db2.gz KAIJPCROOWJTQV-UHFFFAOYSA-N 0 3 379.526 2.722 40 0 GFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000119910455 570924790 /nfs/dbraw/zinc/92/47/90/570924790.db2.gz OBOKAMDNZPWDRN-LLVKDONJSA-N 0 3 377.794 2.898 40 0 GFABHN c1coc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C3CCCC3)CC2)c1 ZINC000019369664 570925429 /nfs/dbraw/zinc/92/54/29/570925429.db2.gz ULLKZKQJXJRTMU-OAQYLSRUSA-N 0 3 392.507 2.964 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2ccccn2)n1 ZINC000328968094 571048085 /nfs/dbraw/zinc/04/80/85/571048085.db2.gz CXWDSDFHJRDICO-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556159 210262137 /nfs/dbraw/zinc/26/21/37/210262137.db2.gz DZQMUBHFEAZSIZ-DJJJIMSYSA-N 0 3 382.512 2.559 40 0 GFABHN CCOc1ccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 ZINC000019533594 210258699 /nfs/dbraw/zinc/25/86/99/210258699.db2.gz NGFSBRDTKUOEIG-MGPUTAFESA-N 0 3 396.491 2.652 40 0 GFABHN COCCOc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291399 210237615 /nfs/dbraw/zinc/23/76/15/210237615.db2.gz XIOMBTFKOXGGNQ-QIDMFYOTSA-N 0 3 385.508 2.565 40 0 GFABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019079465 210223337 /nfs/dbraw/zinc/22/33/37/210223337.db2.gz BLQXLSGGPUNINR-OAHLLOKOSA-N 0 3 398.482 2.777 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306131052 212048272 /nfs/dbraw/zinc/04/82/72/212048272.db2.gz JVIAUTCSXBNKOV-IRXDYDNUSA-N 0 3 391.450 2.974 40 0 GFABHN COCCN1CC[C@]2(CN(Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129919 212046306 /nfs/dbraw/zinc/04/63/06/212046306.db2.gz IQQLTRAKSMRJIT-GHTZIAJQSA-N 0 3 386.496 2.522 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306126743 212045458 /nfs/dbraw/zinc/04/54/58/212045458.db2.gz FDULWWGQZVCOBF-HUUCEWRRSA-N 0 3 381.411 2.567 40 0 GFABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306125901 212044446 /nfs/dbraw/zinc/04/44/46/212044446.db2.gz DFDLGRGLDMYOGS-JTHBVZDNSA-N 0 3 395.478 2.828 40 0 GFABHN CC(=O)N[C@@H]1C[C@H](c2cccc(OCCN(C)C)c2)OC2(CCOCC2)C1 ZINC000257311437 212022323 /nfs/dbraw/zinc/02/23/23/212022323.db2.gz UJLKRSBCXSMPPJ-UYAOXDASSA-N 0 3 376.497 2.532 40 0 GFABHN Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)ncn1 ZINC000257280791 212016678 /nfs/dbraw/zinc/01/66/78/212016678.db2.gz OMLPHRKJDOUCDJ-QGZVFWFLSA-N 0 3 397.523 2.871 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccccc1Cl ZINC000257228561 212007551 /nfs/dbraw/zinc/00/75/51/212007551.db2.gz FUHGWGAYGBIXFA-APWZRJJASA-N 0 3 377.916 2.850 40 0 GFABHN CN(C)CCNc1nc(Nc2ccccc2Br)cc(C2CC2)n1 ZINC000328974204 209154574 /nfs/dbraw/zinc/15/45/74/209154574.db2.gz FDZDDEQGNKODJU-UHFFFAOYSA-N 0 3 376.302 2.677 40 0 GFABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096036864 211296661 /nfs/dbraw/zinc/29/66/61/211296661.db2.gz MEMDWDSFZDFBSN-QGZVFWFLSA-N 0 3 388.537 2.703 40 0 GFABHN CCN(CC)C(=O)CN1CCC[C@H](c2cc(Nc3cnccn3)cc(C)n2)C1 ZINC000072374839 211104930 /nfs/dbraw/zinc/10/49/30/211104930.db2.gz AYFLOVHWNQSKAC-KRWDZBQOSA-N 0 3 382.512 2.971 40 0 GFABHN CN1CCC(N(Cc2ccccc2)C(=O)Cn2cnc3sccc3c2=O)CC1 ZINC000019715366 210286328 /nfs/dbraw/zinc/28/63/28/210286328.db2.gz SMGNOUUTIVGTHE-UHFFFAOYSA-N 0 3 396.516 2.581 40 0 GFABHN CCN(C(=O)Cn1c(CN2CCCCC2)nc2ccccc21)C1CCN(C)CC1 ZINC000019663338 210279316 /nfs/dbraw/zinc/27/93/16/210279316.db2.gz ZITZYXURRSCZSA-UHFFFAOYSA-N 0 3 397.567 2.965 40 0 GFABHN COCCOc1ccc(CN2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019593686 210274561 /nfs/dbraw/zinc/27/45/61/210274561.db2.gz GHCCHZQMFCYIJW-INIZCTEOSA-N 0 3 381.436 2.541 40 0 GFABHN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019593565 210274342 /nfs/dbraw/zinc/27/43/42/210274342.db2.gz QFZAPTSLCGOJTQ-QGZVFWFLSA-N 0 3 394.475 2.979 40 0 GFABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2S(=O)(=O)N1CCCC1 ZINC000019590819 210273644 /nfs/dbraw/zinc/27/36/44/210273644.db2.gz LGXNHDRJSBMBHW-ZCNNSNEGSA-N 0 3 395.544 2.809 40 0 GFABHN CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590450 210273667 /nfs/dbraw/zinc/27/36/67/210273667.db2.gz IUFCKKJUPDKURF-QGZVFWFLSA-N 0 3 379.508 2.550 40 0 GFABHN COc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590391 210271769 /nfs/dbraw/zinc/27/17/69/210271769.db2.gz QYZLCXYERKQKQV-SFHVURJKSA-N 0 3 394.519 2.812 40 0 GFABHN C[C@H]1C[C@H](C)CN(CCNC(=O)c2cccc(I)c2)C1 ZINC000048482612 551156961 /nfs/dbraw/zinc/15/69/61/551156961.db2.gz KBXWDANGSICLBI-STQMWFEESA-N 0 3 386.277 2.999 40 0 GFABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)ccc1Cl ZINC000223515708 553057183 /nfs/dbraw/zinc/05/71/83/553057183.db2.gz WLYPHIDFJXNICR-CYBMUJFWSA-N 0 3 388.917 2.527 40 0 GFABHN COc1ccc2c3c1O[C@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000253504325 560038399 /nfs/dbraw/zinc/03/83/99/560038399.db2.gz FNIFBBNFYMIPEZ-RXCHFPMDSA-N 0 3 395.499 2.895 40 0 biogenic,in-vitro GFABHN CC(=O)N[C@]12CN(C(=O)c3ccccc3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000585261219 570228068 /nfs/dbraw/zinc/22/80/68/570228068.db2.gz JJCIKTBEFFVUQZ-MQSCRBSSSA-N 0 3 377.488 2.710 40 0 GFABHN CSc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1NC(C)=O ZINC000222787960 570425838 /nfs/dbraw/zinc/42/58/38/570425838.db2.gz IWTZNJYKSIIKPO-UHFFFAOYSA-N 0 3 399.582 2.767 40 0 GFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccco3)cc2)CC1 ZINC000006517658 570482374 /nfs/dbraw/zinc/48/23/74/570482374.db2.gz HBXOCRNIXQDBQM-MDZDMXLPSA-N 0 3 384.505 2.948 40 0 GFABHN CN(Cc1ccc(OCCn2cccn2)cc1)C[C@@H](O)COc1ccccc1 ZINC000257266367 570488108 /nfs/dbraw/zinc/48/81/08/570488108.db2.gz MCRJGJOFKFEQBW-HXUWFJFHSA-N 0 3 381.476 2.834 40 0 GFABHN COCCN1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000039963965 570594792 /nfs/dbraw/zinc/59/47/92/570594792.db2.gz KXFCXMHPECMEEQ-KRWDZBQOSA-N 0 3 382.395 2.738 40 0 GFABHN CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010111609 570781833 /nfs/dbraw/zinc/78/18/33/570781833.db2.gz REWIJKHOUKCGDF-QFIPXVFZSA-N 0 3 397.544 2.795 40 0 GFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104489 570932822 /nfs/dbraw/zinc/93/28/22/570932822.db2.gz PFNUVTCXBJHFRF-FQEVSTJZSA-N 0 3 386.536 2.717 40 0 GFABHN CCCN1CCN(C(=O)CNC)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183545 571000751 /nfs/dbraw/zinc/00/07/51/571000751.db2.gz ACGWLKDAMQJIKI-JOCHJYFZSA-N 0 3 393.531 2.813 40 0 GFABHN CCn1cnc2sc(C(=O)NC(C)(C)CN3CCCCC3)c(C)c2c1=O ZINC000019717360 571039469 /nfs/dbraw/zinc/03/94/69/571039469.db2.gz UZYCNMZPXDEVFT-UHFFFAOYSA-N 0 3 376.526 2.781 40 0 GFABHN Cc1c(C(=O)Nc2cc(C)ccc2OCCN(C)C)sc2[nH]cnc(=O)c12 ZINC000019717811 571040820 /nfs/dbraw/zinc/04/08/20/571040820.db2.gz BZCNPZFPBNPTCP-UHFFFAOYSA-N 0 3 386.477 2.794 40 0 GFABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019556786 210262096 /nfs/dbraw/zinc/26/20/96/210262096.db2.gz OQLDYGGEGQEGRY-VBKZILBWSA-N 0 3 396.539 2.586 40 0 GFABHN CCN1CCN(CCNc2ncc(-c3ccccn3)c(-c3ccco3)n2)CC1 ZINC000019528206 210260255 /nfs/dbraw/zinc/26/02/55/210260255.db2.gz COAIZYUYLBOCGC-UHFFFAOYSA-N 0 3 378.480 2.848 40 0 GFABHN CCOc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019520064 210254881 /nfs/dbraw/zinc/25/48/81/210254881.db2.gz TURYVTCRAZREMB-INIZCTEOSA-N 0 3 380.492 2.883 40 0 GFABHN C[C@@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)ccc2O1 ZINC000019497909 210253354 /nfs/dbraw/zinc/25/33/54/210253354.db2.gz JLHNUKNEMNNPFG-OAHLLOKOSA-N 0 3 392.503 2.808 40 0 GFABHN CC(C)NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450083 210247462 /nfs/dbraw/zinc/24/74/62/210247462.db2.gz WTFVINFSPJBBGZ-PMACEKPBSA-N 0 3 393.535 2.817 40 0 GFABHN Cc1ccc2c(cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCNC4)n2C)c1 ZINC000019221211 210230782 /nfs/dbraw/zinc/23/07/82/210230782.db2.gz DCQDDINRGKPDJD-LJQANCHMSA-N 0 3 375.476 2.900 40 0 GFABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019135915 210227775 /nfs/dbraw/zinc/22/77/75/210227775.db2.gz SCTPXFWAHVPNQQ-AEFFLSMTSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135915 210227781 /nfs/dbraw/zinc/22/77/81/210227781.db2.gz SCTPXFWAHVPNQQ-AEFFLSMTSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019135915 210227783 /nfs/dbraw/zinc/22/77/83/210227783.db2.gz SCTPXFWAHVPNQQ-AEFFLSMTSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 ZINC000019132716 210227865 /nfs/dbraw/zinc/22/78/65/210227865.db2.gz AXCJTLDZKQPVEQ-MSOLQXFVSA-N 0 3 394.519 2.913 40 0 GFABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 ZINC000019083676 210226036 /nfs/dbraw/zinc/22/60/36/210226036.db2.gz UYBKOFMWQBWWOH-AWEZNQCLSA-N 0 3 382.512 2.505 40 0 GFABHN COc1cccc(CN2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000019021829 210224310 /nfs/dbraw/zinc/22/43/10/210224310.db2.gz VCNLBHMBZRSNEZ-SFHVURJKSA-N 0 3 393.491 2.566 40 0 GFABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019078503 210223723 /nfs/dbraw/zinc/22/37/23/210223723.db2.gz RPDOHJNRDBCLNW-HOTGVXAUSA-N 0 3 398.482 2.777 40 0 GFABHN CC(=O)NCCn1nc([C@@H]2CCN(Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019021558 210223492 /nfs/dbraw/zinc/22/34/92/210223492.db2.gz JJHPPRAVOBMXRJ-MRXNPFEDSA-N 0 3 398.898 2.605 40 0 GFABHN COc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019018391 210222632 /nfs/dbraw/zinc/22/26/32/210222632.db2.gz XWELYQNWRHVFTA-GOSISDBHSA-N 0 3 380.492 2.769 40 0 GFABHN CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000013669938 210076105 /nfs/dbraw/zinc/07/61/05/210076105.db2.gz KTFXJWVYMDIROI-OAQYLSRUSA-N 0 3 383.517 2.752 40 0 GFABHN COc1cc(COC[C@H](O)CN[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686927 209376618 /nfs/dbraw/zinc/37/66/18/209376618.db2.gz WXONXIJDSQKEMJ-MAUKXSAKSA-N 0 3 375.465 2.941 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306140322 212053448 /nfs/dbraw/zinc/05/34/48/212053448.db2.gz UPRKFLVGQDOYPL-LSDHHAIUSA-N 0 3 385.899 2.518 40 0 GFABHN Cc1ncsc1CN1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140701 212053941 /nfs/dbraw/zinc/05/39/41/212053941.db2.gz VBGXMNKLVHDGRR-INIZCTEOSA-N 0 3 398.536 2.710 40 0 GFABHN Cc1ccc(CN2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306131298 212048919 /nfs/dbraw/zinc/04/89/19/212048919.db2.gz KAPKLKYGNPXTRN-INIZCTEOSA-N 0 3 383.521 2.925 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306126737 212044199 /nfs/dbraw/zinc/04/41/99/212044199.db2.gz FDTMVAHGIMXNTE-HOTGVXAUSA-N 0 3 379.489 2.896 40 0 GFABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306125898 212044925 /nfs/dbraw/zinc/04/49/25/212044925.db2.gz DFDLGRGLDMYOGS-FYYLOGMGSA-N 0 3 395.478 2.828 40 0 GFABHN Cc1nc(N[C@@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329031191 209157364 /nfs/dbraw/zinc/15/73/64/209157364.db2.gz QHISMVKXFPLMND-NSHDSACASA-N 0 3 377.286 2.903 40 0 GFABHN CN1CCC(C(=O)N2CCC[C@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)CC1 ZINC000072346250 211095597 /nfs/dbraw/zinc/09/55/97/211095597.db2.gz XKWNPYHKUWTZMA-KRWDZBQOSA-N 0 3 397.498 2.913 40 0 GFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072345964 211095622 /nfs/dbraw/zinc/09/56/22/211095622.db2.gz REKAIGNFKCWGGJ-SFHVURJKSA-N 0 3 388.475 2.599 40 0 GFABHN CN(C)CCn1nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 ZINC000019583061 210269716 /nfs/dbraw/zinc/26/97/16/210269716.db2.gz YFDYDMIZVRNLQX-KRWDZBQOSA-N 0 3 384.528 2.674 40 0 GFABHN CN1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590355 210273409 /nfs/dbraw/zinc/27/34/09/210273409.db2.gz IULLCCVHGAHVRB-GOSISDBHSA-N 0 3 390.484 2.520 40 0 GFABHN C[NH+](C)Cc1ccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3C2)cc1 ZINC000012121812 221155022 /nfs/dbraw/zinc/15/50/22/221155022.db2.gz GLUVJIKEUFNRSF-UHFFFAOYSA-N 0 3 375.476 2.864 40 0 GFABHN CCN1CCC[C@@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914964 570334751 /nfs/dbraw/zinc/33/47/51/570334751.db2.gz KNLRYTVGFIYFAK-QGZVFWFLSA-N 0 3 383.471 2.735 40 0 GFABHN O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225278371 570560983 /nfs/dbraw/zinc/56/09/83/570560983.db2.gz ZVLSTRCBPUVZAW-IEBWSBKVSA-N 0 3 384.451 2.994 40 0 GFABHN COc1ccc(OC)c([C@H](O)CN2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734382 570567989 /nfs/dbraw/zinc/56/79/89/570567989.db2.gz ZHQHRAXXBPQXFL-FXAWDEMLSA-N 0 3 390.524 2.852 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480629 570903521 /nfs/dbraw/zinc/90/35/21/570903521.db2.gz ABQNVLMROCNAHX-SVFBPWRDSA-N 0 3 387.501 2.751 40 0 GFABHN O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCN3C[C@@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102256 570929951 /nfs/dbraw/zinc/92/99/51/570929951.db2.gz VNFNPYTTZNSPTE-REWPJTCUSA-N 0 3 397.519 2.895 40 0 GFABHN Cc1cn2c(ncc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)c2=O)s1 ZINC000019717085 571039064 /nfs/dbraw/zinc/03/90/64/571039064.db2.gz DYQOWTPNSSTTNW-GOSISDBHSA-N 0 3 396.516 2.940 40 0 GFABHN CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)n2)C1 ZINC000019462922 210253571 /nfs/dbraw/zinc/25/35/71/210253571.db2.gz RLQMQYYSZBJAFA-CGTJXYLNSA-N 0 3 386.540 2.720 40 0 GFABHN CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)n2)C1 ZINC000019462922 210253575 /nfs/dbraw/zinc/25/35/75/210253575.db2.gz RLQMQYYSZBJAFA-CGTJXYLNSA-N 0 3 386.540 2.720 40 0 GFABHN O=C(CCOc1ccc(Cl)cc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019335891 210240954 /nfs/dbraw/zinc/24/09/54/210240954.db2.gz JHSGHGBOVFSZME-GOSISDBHSA-N 0 3 386.883 2.908 40 0 GFABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 ZINC000019083673 210225223 /nfs/dbraw/zinc/22/52/23/210225223.db2.gz UYBKOFMWQBWWOH-CQSZACIVSA-N 0 3 382.512 2.505 40 0 GFABHN COc1ccccc1CN1CC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000019021852 210224230 /nfs/dbraw/zinc/22/42/30/210224230.db2.gz UTDKEJCSVPMTBZ-SFHVURJKSA-N 0 3 393.491 2.566 40 0 GFABHN O=C(NC1CC1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299303 291122967 /nfs/dbraw/zinc/12/29/67/291122967.db2.gz SWJHBZOUQXDTLB-ZTNFWEORSA-N 0 3 397.548 2.559 40 0 biogenic,in-vitro GFABHN COc1cc(C(=O)NCc2ccccc2OCCN(C)C)cc(OC)c1OC ZINC000001670294 209335222 /nfs/dbraw/zinc/33/52/22/209335222.db2.gz AYENQHNLPCLLIB-UHFFFAOYSA-N 0 3 388.464 2.583 40 0 GFABHN O=C(NC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2ccccc2F)CC1 ZINC000306136962 212050873 /nfs/dbraw/zinc/05/08/73/212050873.db2.gz QHOXDGZRCWYQNV-UHFFFAOYSA-N 0 3 383.471 2.538 40 0 GFABHN Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)ncn1 ZINC000257280790 212015533 /nfs/dbraw/zinc/01/55/33/212015533.db2.gz OMLPHRKJDOUCDJ-KRWDZBQOSA-N 0 3 397.523 2.871 40 0 GFABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)c1 ZINC000257243896 212009269 /nfs/dbraw/zinc/00/92/69/212009269.db2.gz IJAQERWYXCUKJQ-OAHLLOKOSA-N 0 3 390.509 2.738 40 0 GFABHN Cn1cc(CN2CCC[C@@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 ZINC000019749739 210293899 /nfs/dbraw/zinc/29/38/99/210293899.db2.gz DCPVTOKUGRYXMO-QGZVFWFLSA-N 0 3 381.455 2.892 40 0 GFABHN C[C@H](CC[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394677 136169229 /nfs/dbraw/zinc/16/92/29/136169229.db2.gz IRUCFYGRANCSFQ-MJGOQNOKSA-N 0 3 382.508 2.590 40 0 GFABHN C[C@H](CC[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394677 136169230 /nfs/dbraw/zinc/16/92/30/136169230.db2.gz IRUCFYGRANCSFQ-MJGOQNOKSA-N 0 3 382.508 2.590 40 0 GFABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)ccc1Cl ZINC000260746357 553152893 /nfs/dbraw/zinc/15/28/93/553152893.db2.gz WLYPHIDFJXNICR-ZDUSSCGKSA-N 0 3 388.917 2.527 40 0 GFABHN CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C4CCN(C)CC4)C3)nc2c1 ZINC000049169127 560084783 /nfs/dbraw/zinc/08/47/83/560084783.db2.gz MLHQPXPDUXVXHR-AWEZNQCLSA-N 0 3 377.510 2.505 40 0 biogenic,in-vitro GFABHN CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262552 570230928 /nfs/dbraw/zinc/23/09/28/570230928.db2.gz RRRFYJGXOQJPCX-HXUWFJFHSA-N 0 3 398.503 2.560 40 0 GFABHN Cc1cc(C)c(C)c(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1 ZINC000585287580 570258977 /nfs/dbraw/zinc/25/89/77/570258977.db2.gz OUVKZKOHBGPPAO-GMAHTHKFSA-N 0 3 391.552 2.874 40 0 GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1cccc(F)c1 ZINC000020801032 570281251 /nfs/dbraw/zinc/28/12/51/570281251.db2.gz GTSWXTBWDXGOKJ-MOPGFXCFSA-N 0 3 395.434 2.590 40 0 GFABHN CCN(CC)CCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000022108619 570325907 /nfs/dbraw/zinc/32/59/07/570325907.db2.gz TUBPMCANSXAIRA-UHFFFAOYSA-N 0 3 388.464 2.951 40 0 GFABHN COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000222997534 570436012 /nfs/dbraw/zinc/43/60/12/570436012.db2.gz JUHOUEKFSHQQOD-OALUTQOASA-N 0 3 379.489 2.886 40 0 GFABHN O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000260913112 570713619 /nfs/dbraw/zinc/71/36/19/570713619.db2.gz ZVLSTRCBPUVZAW-PKOBYXMFSA-N 0 3 384.451 2.994 40 0 GFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585104115 570930131 /nfs/dbraw/zinc/93/01/31/570930131.db2.gz LUMSSBWHAVZRPK-PMACEKPBSA-N 0 3 386.536 2.717 40 0 GFABHN CCOc1ncccc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019531462 210260193 /nfs/dbraw/zinc/26/01/93/210260193.db2.gz IQPIUYYYEMZBKE-SFHVURJKSA-N 0 3 381.480 2.626 40 0 GFABHN CCN(CC)S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C ZINC000019526471 210255872 /nfs/dbraw/zinc/25/58/72/210255872.db2.gz KNGLFYHIOWZZRJ-ZCNNSNEGSA-N 0 3 379.570 2.915 40 0 GFABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 ZINC000019497121 210252531 /nfs/dbraw/zinc/25/25/31/210252531.db2.gz WTRUZKVVUMXTPP-CABCVRRESA-N 0 3 395.507 2.597 40 0 GFABHN CC(=O)N1CCc2nc([C@H]3CCN(CCCOc4ccc(C)cc4)C3)ncc2C1 ZINC000019211022 210231341 /nfs/dbraw/zinc/23/13/41/210231341.db2.gz GMPLNUKTHVXONJ-IBGZPJMESA-N 0 3 394.519 2.948 40 0 GFABHN NC(=O)c1cc2ccccc2nc1[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000013267550 210056091 /nfs/dbraw/zinc/05/60/91/210056091.db2.gz ZDETWQYTVBUIMJ-GOSISDBHSA-N 0 3 394.519 2.916 40 0 GFABHN CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008298724 291120054 /nfs/dbraw/zinc/12/00/54/291120054.db2.gz OFNIOSJUZRLBFG-WMQCIHAUSA-N 0 3 399.514 2.787 40 0 biogenic,in-vitro GFABHN Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)cn2)n1C ZINC000257248595 212010867 /nfs/dbraw/zinc/01/08/67/212010867.db2.gz JEJBEYFISGWSMC-IBGZPJMESA-N 0 3 395.551 2.913 40 0 GFABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257217917 212006163 /nfs/dbraw/zinc/00/61/63/212006163.db2.gz DBCPVMFSVTYSHC-AWEZNQCLSA-N 0 3 378.473 2.868 40 0 GFABHN Cc1noc(C)c1CN1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 ZINC000096260568 211326234 /nfs/dbraw/zinc/32/62/34/211326234.db2.gz WSSGKVDDMFZCIR-UHFFFAOYSA-N 0 3 397.523 2.811 40 0 GFABHN Cc1ccc(CN2CCOC[C@@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240541 211323419 /nfs/dbraw/zinc/32/34/19/211323419.db2.gz WTKUHAUXRWMBPI-FXAWDEMLSA-N 0 3 388.537 2.875 40 0 GFABHN COc1ncc([C@]2(O)CC[C@H]3CN(Cc4ccccc4Cl)C[C@H]32)c(OC)n1 ZINC000072392586 211109086 /nfs/dbraw/zinc/10/90/86/211109086.db2.gz NMGNZUCDNVQXJW-GQWAEJPESA-N 0 3 389.883 2.877 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000072390766 211107002 /nfs/dbraw/zinc/10/70/02/211107002.db2.gz RUBDUIZSCNFHGY-JXFKEZNVSA-N 0 3 380.492 2.952 40 0 GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020636731 210354070 /nfs/dbraw/zinc/35/40/70/210354070.db2.gz PZPLRGQCASCTNS-RTBURBONSA-N 0 3 395.434 2.590 40 0 GFABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 ZINC000019698312 210280930 /nfs/dbraw/zinc/28/09/30/210280930.db2.gz JGGMIRNUOUHQGK-NRFANRHFSA-N 0 3 396.539 2.966 40 0 GFABHN O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019657787 210277079 /nfs/dbraw/zinc/27/70/79/210277079.db2.gz LZFUQKJXQGBODL-ZDUSSCGKSA-N 0 3 392.385 2.881 40 0 GFABHN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019593539 210275665 /nfs/dbraw/zinc/27/56/65/210275665.db2.gz OFODWZCGLXLPJN-SFHVURJKSA-N 0 3 394.475 2.979 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572825 210268929 /nfs/dbraw/zinc/26/89/29/210268929.db2.gz OHJCCJNDANRXCJ-ZWKOTPCHSA-N 0 3 396.539 2.635 40 0 GFABHN COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019590292 210273788 /nfs/dbraw/zinc/27/37/88/210273788.db2.gz BWEZXMVFJAXVPZ-HXUWFJFHSA-N 0 3 380.492 2.769 40 0 GFABHN COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)[nH]c2c1 ZINC000019590548 210273246 /nfs/dbraw/zinc/27/32/46/210273246.db2.gz BQIGQRSISSGSME-HXUWFJFHSA-N 0 3 391.475 2.932 40 0 GFABHN CCOCCOc1ccc(CN(C)C[C@@H](O)COc2cccc(OC)c2)cc1 ZINC000585269819 570238914 /nfs/dbraw/zinc/23/89/14/570238914.db2.gz LHLUXNDYZOCXJO-LJQANCHMSA-N 0 3 389.492 2.982 40 0 GFABHN Fc1ccccc1CN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381859 570352786 /nfs/dbraw/zinc/35/27/86/570352786.db2.gz RXOQURTUSHGHLQ-OAQYLSRUSA-N 0 3 381.495 2.597 40 0 biogenic,in-vitro GFABHN OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223607247 570474182 /nfs/dbraw/zinc/47/41/82/570474182.db2.gz ALMUQAHYZXNWPE-MOPGFXCFSA-N 0 3 379.489 2.622 40 0 GFABHN CSc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1NC(=O)C(C)C ZINC000225463049 570577160 /nfs/dbraw/zinc/57/71/60/570577160.db2.gz MKDRUDQHVSANMB-UHFFFAOYSA-N 0 3 399.582 2.767 40 0 GFABHN COC(=O)[C@H]1CN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 ZINC000260828191 570708633 /nfs/dbraw/zinc/70/86/33/570708633.db2.gz MNZJUSUFFPHZGL-GHTZIAJQSA-N 0 3 394.471 2.866 40 0 GFABHN CCOC(=O)C1C(CN2CCC[C@@H](C)C2)=NC(=O)N[C@@H]1c1ccccc1OC ZINC000013566281 570850258 /nfs/dbraw/zinc/85/02/58/570850258.db2.gz CFUBRAONLUWDQV-AUUYWEPGSA-N 0 3 387.480 2.598 40 0 GFABHN CCN1CCN(C(=O)CNC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183560 571000628 /nfs/dbraw/zinc/00/06/28/571000628.db2.gz AYLFEHVRCIOULL-IBGZPJMESA-N 0 3 397.494 2.562 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572831 210268025 /nfs/dbraw/zinc/26/80/25/210268025.db2.gz OHJCCJNDANRXCJ-ROUUACIJSA-N 0 3 396.539 2.635 40 0 GFABHN COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1C ZINC000019571110 210267649 /nfs/dbraw/zinc/26/76/49/210267649.db2.gz HFJIZPQZQXXZQO-GOSISDBHSA-N 0 3 394.519 2.730 40 0 GFABHN COc1ccc(OC)c(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c1 ZINC000019551697 210260837 /nfs/dbraw/zinc/26/08/37/210260837.db2.gz NKZMHUVVYBZBMI-PCCBWWKXSA-N 0 3 382.504 2.566 40 0 GFABHN CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019499441 210254219 /nfs/dbraw/zinc/25/42/19/210254219.db2.gz UCKNEPMFCDSGBT-MSOLQXFVSA-N 0 3 384.455 2.783 40 0 GFABHN Cc1cccc(CC(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)c1 ZINC000019234613 210233820 /nfs/dbraw/zinc/23/38/20/210233820.db2.gz FKHFDKLHRWPEJB-IBGZPJMESA-N 0 3 391.519 2.860 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306140320 212053830 /nfs/dbraw/zinc/05/38/30/212053830.db2.gz UPRKFLVGQDOYPL-GJZGRUSLSA-N 0 3 385.899 2.518 40 0 GFABHN O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000306129124 212047608 /nfs/dbraw/zinc/04/76/08/212047608.db2.gz HVCBCEUSPKROKP-PKOBYXMFSA-N 0 3 391.450 2.576 40 0 GFABHN CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CCN(Cc1ccccc1)C2 ZINC000257302053 212020533 /nfs/dbraw/zinc/02/05/33/212020533.db2.gz SBEVKOGLFZRWRB-WXFUMESZSA-N 0 3 391.515 2.987 40 0 GFABHN CN(C)CCNc1cc(N2CCc3ccc(Br)cc3C2)ncn1 ZINC000329064645 209159603 /nfs/dbraw/zinc/15/96/03/209159603.db2.gz XKOHVEJRSZBWIZ-UHFFFAOYSA-N 0 3 376.302 2.775 40 0 GFABHN CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000257244122 212008876 /nfs/dbraw/zinc/00/88/76/212008876.db2.gz IJYIFPUDXQLDNS-JOCHJYFZSA-N 0 3 393.531 2.942 40 0 GFABHN COc1cccc(CN2CCC3(CC2)CCN(S(=O)(=O)C2CC2)CC3)c1 ZINC000096047251 211296040 /nfs/dbraw/zinc/29/60/40/211296040.db2.gz XHSYEJBJVSGJLU-UHFFFAOYSA-N 0 3 378.538 2.865 40 0 GFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(C)cc1 ZINC000020636708 210353634 /nfs/dbraw/zinc/35/36/34/210353634.db2.gz PGVANTOMROFXNR-WOJBJXKFSA-N 0 3 391.471 2.760 40 0 GFABHN Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3C3CCN(C)CC3)C2)c1 ZINC000019711284 210285391 /nfs/dbraw/zinc/28/53/91/210285391.db2.gz HLLMBIBIWYYOSU-UHFFFAOYSA-N 0 3 397.523 2.596 40 0 GFABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 ZINC000019710993 210286929 /nfs/dbraw/zinc/28/69/29/210286929.db2.gz ILIXUBPXJUUBQH-INIZCTEOSA-N 0 3 398.511 2.779 40 0 GFABHN Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCCN(C)C4)n3CC1)CCCC2 ZINC000019709263 210283390 /nfs/dbraw/zinc/28/33/90/210283390.db2.gz YAECNBCJEXHQJC-MRXNPFEDSA-N 0 3 397.523 2.566 40 0 GFABHN Cc1cc2cc(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)ccc2o1 ZINC000019709261 210283225 /nfs/dbraw/zinc/28/32/25/210283225.db2.gz ZNQKIUGOGPXQRT-QGZVFWFLSA-N 0 3 393.491 2.840 40 0 GFABHN COc1ccccc1C(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019583265 210269416 /nfs/dbraw/zinc/26/94/16/210269416.db2.gz QBWKIRRXOWIIEI-INIZCTEOSA-N 0 3 393.491 2.631 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)n1 ZINC000019572987 210268869 /nfs/dbraw/zinc/26/88/69/210268869.db2.gz MNFAPVAXLSVACZ-KRWDZBQOSA-N 0 3 396.539 2.635 40 0 GFABHN COc1cccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)c1OC ZINC000073257553 222269138 /nfs/dbraw/zinc/26/91/38/222269138.db2.gz CKUCWPTUZQKDGP-DRAMBROLSA-N 0 3 387.432 2.501 40 0 GFABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408708284 529102620 /nfs/dbraw/zinc/10/26/20/529102620.db2.gz XGKBSPAIRGXWMN-FQEVSTJZSA-N 0 3 379.504 2.535 40 0 GFABHN NCC1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218474026 553053925 /nfs/dbraw/zinc/05/39/25/553053925.db2.gz KVUJHVCOAZYBNB-JKSUJKDBSA-N 0 3 385.316 2.837 40 0 GFABHN CN(Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)COc1ccccc1 ZINC000257206776 570486966 /nfs/dbraw/zinc/48/69/66/570486966.db2.gz BEVUXJGFJVJNRZ-HXUWFJFHSA-N 0 3 398.503 2.560 40 0 GFABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1OC ZINC000031075442 570502770 /nfs/dbraw/zinc/50/27/70/570502770.db2.gz IEKIKUZZWFNNGL-UHFFFAOYSA-N 0 3 390.505 2.778 40 0 GFABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 ZINC000575404311 570520571 /nfs/dbraw/zinc/52/05/71/570520571.db2.gz LNBWNNCORMCSCB-QGZVFWFLSA-N 0 3 396.491 2.700 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@H]1CCCO1 ZINC000260921131 570714588 /nfs/dbraw/zinc/71/45/88/570714588.db2.gz OMIFSMXLCBXSCY-NSISKUIASA-N 0 3 399.564 2.596 40 0 GFABHN CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019502123 570927205 /nfs/dbraw/zinc/92/72/05/570927205.db2.gz GMHZTUATHNAEMF-RTBURBONSA-N 0 3 376.549 2.644 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Br)cc(C2CC2)n1 ZINC000329030308 212094109 /nfs/dbraw/zinc/09/41/09/212094109.db2.gz QCRIXJNMCFJYIX-UHFFFAOYSA-N 0 3 394.292 2.817 40 0 GFABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078781 221395633 /nfs/dbraw/zinc/39/56/33/221395633.db2.gz YJCLPKUGIOVFLJ-LIRRHRJNSA-N 0 3 384.455 2.735 40 0 GFABHN O=C(NC1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)C1CCCCC1 ZINC000035315483 221817538 /nfs/dbraw/zinc/81/75/38/221817538.db2.gz HTUHMJZUUQVEIP-UHFFFAOYSA-N 0 3 397.519 2.834 40 0 GFABHN CC(=O)Nc1ccc(CNC2(Cc3cc(CN4CCCCC4)on3)COC2)cc1 ZINC000072321964 222225819 /nfs/dbraw/zinc/22/58/19/222225819.db2.gz LLWJSMXJRWETTP-UHFFFAOYSA-N 0 3 398.507 2.720 40 0 biogenic,in-vitro GFABHN COCCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)ccc1OC ZINC000072373025 222243533 /nfs/dbraw/zinc/24/35/33/222243533.db2.gz BYYOUFNRUSEXSY-DLBZAZTESA-N 0 3 399.491 2.656 40 0 GFABHN COCCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)ccc1OC ZINC000072373025 222243535 /nfs/dbraw/zinc/24/35/35/222243535.db2.gz BYYOUFNRUSEXSY-DLBZAZTESA-N 0 3 399.491 2.656 40 0 GFABHN COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228767 222399696 /nfs/dbraw/zinc/39/96/96/222399696.db2.gz WNEAUELQJMHAMW-QHCPKHFHSA-N 0 3 397.519 2.678 40 0 GFABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218502932 553053875 /nfs/dbraw/zinc/05/38/75/553053875.db2.gz KAYIDUZEWTVDAI-ROUUACIJSA-N 0 3 378.925 2.746 40 0 GFABHN COc1cccc(CN2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)c1 ZINC000096260344 570225407 /nfs/dbraw/zinc/22/54/07/570225407.db2.gz QPIVCMXPQCZWFM-UHFFFAOYSA-N 0 3 396.535 2.895 40 0 GFABHN COc1ccc(CN2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)cc1 ZINC000096260336 570225462 /nfs/dbraw/zinc/22/54/62/570225462.db2.gz HWTNTIFUSGPMSM-UHFFFAOYSA-N 0 3 396.535 2.895 40 0 GFABHN COc1cccc(-c2nc3c(s2)N(C(C)C)[C@@H](C(=O)NCCN(C)C)C3)c1 ZINC000096264492 570226990 /nfs/dbraw/zinc/22/69/90/570226990.db2.gz MQPZZFFLOOXGST-QGZVFWFLSA-N 0 3 388.537 2.636 40 0 GFABHN Cc1cnc(Nc2cc([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)s1 ZINC000585292348 570261561 /nfs/dbraw/zinc/26/15/61/570261561.db2.gz KWYROWXARLQQSF-NFAHFFEMSA-N 0 3 386.525 2.727 40 0 GFABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3ccc(F)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382083 570353070 /nfs/dbraw/zinc/35/30/70/570353070.db2.gz CQQTWSBENNWYNN-UAFMIMERSA-N 0 3 387.499 2.603 40 0 biogenic,in-vitro GFABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccc(Cl)cc3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382653 570353862 /nfs/dbraw/zinc/35/38/62/570353862.db2.gz XHQKOTDZMACBQD-UAFMIMERSA-N 0 3 389.927 2.944 40 0 biogenic,in-vitro GFABHN CCc1nn2c(ncc3c2ccn(CCN(C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040396722 570601213 /nfs/dbraw/zinc/60/12/13/570601213.db2.gz JEZJOGTZYWPUGH-UHFFFAOYSA-N 0 3 379.439 2.974 40 0 GFABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)cn1 ZINC000225921922 570633438 /nfs/dbraw/zinc/63/34/38/570633438.db2.gz JWJMYRNRZREFPW-UHFFFAOYSA-N 0 3 391.493 2.774 40 0 GFABHN CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)CN(Cc3ccc(C)nc3)[C@@H]2C1 ZINC000257241753 570768405 /nfs/dbraw/zinc/76/84/05/570768405.db2.gz HZMACUWIFKTSND-AFXVXQJMSA-N 0 3 379.504 2.587 40 0 GFABHN Cc1cc(Nc2cc(C3CCN(C(=O)C4CCN(C)CC4)CC3)nc(C)n2)n[nH]1 ZINC000257302598 570778443 /nfs/dbraw/zinc/77/84/43/570778443.db2.gz SDNBTDRRUCTUJI-UHFFFAOYSA-N 0 3 397.527 2.608 40 0 GFABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21 ZINC000585109588 570937951 /nfs/dbraw/zinc/93/79/51/570937951.db2.gz CIERNOPZVXRUDA-QNWVGRARSA-N 0 3 398.478 2.875 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@@H]1C2 ZINC000306131085 570939367 /nfs/dbraw/zinc/93/93/67/570939367.db2.gz JWDBWYNCCMBXFT-KBPBESRZSA-N 0 3 381.411 2.567 40 0 GFABHN Cc1ccc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306131299 570939918 /nfs/dbraw/zinc/93/99/18/570939918.db2.gz KAPKLKYGNPXTRN-MRXNPFEDSA-N 0 3 383.521 2.925 40 0 GFABHN Cc1[nH]c2ccc(C)cc2c1CN1CCC(O)(Cn2nc(C)ccc2=O)CC1 ZINC000019220101 570962695 /nfs/dbraw/zinc/96/26/95/570962695.db2.gz RILBQPZCYZMTEF-UHFFFAOYSA-N 0 3 380.492 2.677 40 0 GFABHN O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019336120 570976101 /nfs/dbraw/zinc/97/61/01/570976101.db2.gz IPMXYYILRWDOAK-QGZVFWFLSA-N 0 3 392.912 2.692 40 0 GFABHN CC(C)CN1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019447197 570984255 /nfs/dbraw/zinc/98/42/55/570984255.db2.gz OVIIRBADKTYCMM-IBGZPJMESA-N 0 3 384.528 2.726 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448293 570985146 /nfs/dbraw/zinc/98/51/46/570985146.db2.gz AOSTXDPQKFNGCS-SFHVURJKSA-N 0 3 384.455 2.653 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448293 570985148 /nfs/dbraw/zinc/98/51/48/570985148.db2.gz AOSTXDPQKFNGCS-SFHVURJKSA-N 0 3 384.455 2.653 40 0 GFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019499409 570992019 /nfs/dbraw/zinc/99/20/19/570992019.db2.gz SJERYABBIIQIHU-PMACEKPBSA-N 0 3 396.491 2.652 40 0 GFABHN COc1ccc(F)c(CN2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 ZINC000019551435 571000871 /nfs/dbraw/zinc/00/08/71/571000871.db2.gz GERHLSAGDLBMHT-HNNXBMFYSA-N 0 3 380.423 2.969 40 0 GFABHN COc1ccc(OC)c(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019551442 571000895 /nfs/dbraw/zinc/00/08/95/571000895.db2.gz MESQWJMDPUOWOV-MRXNPFEDSA-N 0 3 392.459 2.839 40 0 GFABHN COc1ccc(OC)c(CN2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019551448 571001628 /nfs/dbraw/zinc/00/16/28/571001628.db2.gz BDTSEIARTYPTDR-INIZCTEOSA-N 0 3 392.459 2.839 40 0 GFABHN COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000019552505 571002052 /nfs/dbraw/zinc/00/20/52/571002052.db2.gz WIAMGNWXPQEGPC-PCCBWWKXSA-N 0 3 382.504 2.566 40 0 GFABHN COc1ccc(C[N@@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560832 571005417 /nfs/dbraw/zinc/00/54/17/571005417.db2.gz YQLRXRUOAUIFNF-QGZVFWFLSA-N 0 3 392.459 2.839 40 0 GFABHN COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560832 571005419 /nfs/dbraw/zinc/00/54/19/571005419.db2.gz YQLRXRUOAUIFNF-QGZVFWFLSA-N 0 3 392.459 2.839 40 0 GFABHN COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc1OC ZINC000019561202 571005946 /nfs/dbraw/zinc/00/59/46/571005946.db2.gz RUDDOYFGAWEYDH-QHAWAJNXSA-N 0 3 382.504 2.566 40 0 GFABHN COc1cccc(CN2CCC[C@@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC ZINC000019567914 571008784 /nfs/dbraw/zinc/00/87/84/571008784.db2.gz JESSVTLLUJSAGT-MRXNPFEDSA-N 0 3 394.479 2.665 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)n1 ZINC000019572828 571010597 /nfs/dbraw/zinc/01/05/97/571010597.db2.gz OHJCCJNDANRXCJ-QZTJIDSGSA-N 0 3 396.539 2.635 40 0 GFABHN COc1ccc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1CN(C)C ZINC000019583405 571014056 /nfs/dbraw/zinc/01/40/56/571014056.db2.gz CCMXXNQSHNQRIP-SFHVURJKSA-N 0 3 396.535 2.639 40 0 GFABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)c2nccnc21 ZINC000019583058 571014290 /nfs/dbraw/zinc/01/42/90/571014290.db2.gz YFDYDMIZVRNLQX-QGZVFWFLSA-N 0 3 384.528 2.674 40 0 GFABHN Cc1nc(CC(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)n2)cs1 ZINC000019698330 571031101 /nfs/dbraw/zinc/03/11/01/571031101.db2.gz UNBAHOUGOQGNQJ-FQEVSTJZSA-N 0 3 399.564 2.813 40 0 GFABHN Cc1nc(N[C@@H](C)CO)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329029607 212093281 /nfs/dbraw/zinc/09/32/81/212093281.db2.gz PZLFVNKCRVJBDW-NSHDSACASA-N 0 3 377.286 2.903 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccn2)n1 ZINC000329016796 212093110 /nfs/dbraw/zinc/09/31/10/212093110.db2.gz NHMARMGZEQLSDD-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN CN(C)CCNc1nc(Nc2cccc(Br)c2)cc(C2CC2)n1 ZINC000328990354 212091646 /nfs/dbraw/zinc/09/16/46/212091646.db2.gz IOFXRDDMYCAXCK-UHFFFAOYSA-N 0 3 376.302 2.677 40 0 GFABHN NC(=O)c1cc2ccccc2nc1[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000013267552 221264090 /nfs/dbraw/zinc/26/40/90/221264090.db2.gz ZDETWQYTVBUIMJ-SFHVURJKSA-N 0 3 394.519 2.916 40 0 GFABHN COc1ccc(CN2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000019021811 221395147 /nfs/dbraw/zinc/39/51/47/221395147.db2.gz PDGYQJLCGXUTSE-SFHVURJKSA-N 0 3 393.491 2.566 40 0 GFABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218503013 553053852 /nfs/dbraw/zinc/05/38/52/553053852.db2.gz KAYIDUZEWTVDAI-QZTJIDSGSA-N 0 3 378.925 2.746 40 0 GFABHN NCC1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000218473953 553054052 /nfs/dbraw/zinc/05/40/52/553054052.db2.gz KVUJHVCOAZYBNB-HZPDHXFCSA-N 0 3 385.316 2.837 40 0 GFABHN COc1ccc2c3c1O[C@@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000096316382 560053979 /nfs/dbraw/zinc/05/39/79/560053979.db2.gz FNIFBBNFYMIPEZ-PIHUIAAXSA-N 0 3 395.499 2.895 40 0 biogenic,in-vitro GFABHN CN1CCN(CC2CC2)C2(CCN(Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC000096230295 570221594 /nfs/dbraw/zinc/22/15/94/570221594.db2.gz GBLGLTKOVZMXGR-UHFFFAOYSA-N 0 3 379.907 2.998 40 0 GFABHN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1)c1ccccc1 ZINC000585262334 570230186 /nfs/dbraw/zinc/23/01/86/570230186.db2.gz LIKNGQJFAMNPCX-CZYKHXBRSA-N 0 3 380.488 2.852 40 0 GFABHN CCOc1ccccc1OC[C@@H](O)CN(C)Cc1ccc(OCCCO)cc1 ZINC000585270416 570239256 /nfs/dbraw/zinc/23/92/56/570239256.db2.gz WCYRTZYMEHOTAI-IBGZPJMESA-N 0 3 389.492 2.718 40 0 GFABHN Cc1cc(OC[C@@]2(O)COCCN(CC3(O)CCCCCC3)C2)ccc1F ZINC000585282705 570250847 /nfs/dbraw/zinc/25/08/47/570250847.db2.gz NBABSQRTGNPWJB-NRFANRHFSA-N 0 3 381.488 2.662 40 0 GFABHN Cc1cc(S(=O)(=O)NCCCN2CCCCCC2)ccc1N1CCCC1=O ZINC000020457906 570259588 /nfs/dbraw/zinc/25/95/88/570259588.db2.gz JSNXOFDWZYGDEP-UHFFFAOYSA-N 0 3 393.553 2.666 40 0 GFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223254638 570453150 /nfs/dbraw/zinc/45/31/50/570453150.db2.gz WHJNHCBANGPUCN-PMACEKPBSA-N 0 3 392.532 2.801 40 0 GFABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257294129 570488665 /nfs/dbraw/zinc/48/86/65/570488665.db2.gz QSQQVXPOCYTQFO-OAQYLSRUSA-N 0 3 398.503 2.522 40 0 GFABHN COC[C@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 ZINC000247901088 570717085 /nfs/dbraw/zinc/71/70/85/570717085.db2.gz VYFNLSOTTJZBNN-OAHLLOKOSA-N 0 3 375.494 2.737 40 0 GFABHN O=C(CN1CCCCCC1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257206915 570760725 /nfs/dbraw/zinc/76/07/25/570760725.db2.gz BFLQCOQXZCZLOW-KRWDZBQOSA-N 0 3 382.512 2.524 40 0 GFABHN COc1cc2c(cc1CN1CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 ZINC000257231726 570765585 /nfs/dbraw/zinc/76/55/85/570765585.db2.gz GHYKYRUFJOMNJK-QGZVFWFLSA-N 0 3 382.508 2.988 40 0 GFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@@H](C(=O)N(C)C)C2)c1 ZINC000257288899 570776475 /nfs/dbraw/zinc/77/64/75/570776475.db2.gz PWDHTIMMFYPRMM-LJQANCHMSA-N 0 3 394.519 2.751 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480678 570903434 /nfs/dbraw/zinc/90/34/34/570903434.db2.gz ABQNVLMROCNAHX-ZJOUEHCJSA-N 0 3 387.501 2.751 40 0 GFABHN CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@]12CN(C[C@@H]1CC=CCC1)CCO2 ZINC000306123909 570935724 /nfs/dbraw/zinc/93/57/24/570935724.db2.gz BAHBELYJQDXKMC-AQNXPRMDSA-N 0 3 384.586 2.932 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306124015 570935808 /nfs/dbraw/zinc/93/58/08/570935808.db2.gz BDBPGRQWSJNXBW-HUUCEWRRSA-N 0 3 385.899 2.518 40 0 GFABHN CN(C)CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)C2CC2)CC1 ZINC000306139509 570944402 /nfs/dbraw/zinc/94/44/02/570944402.db2.gz SZAVQCHMJBBWKY-UHFFFAOYSA-N 0 3 380.492 2.732 40 0 GFABHN CC[C@@H](C)CNC(=O)c1ccc2ncc(N3CCN(CC4CC4)CC3)nc2c1 ZINC000306142656 570945776 /nfs/dbraw/zinc/94/57/76/570945776.db2.gz XFPXTOXPHKVTCI-MRXNPFEDSA-N 0 3 381.524 2.938 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 ZINC000019210921 570960433 /nfs/dbraw/zinc/96/04/33/570960433.db2.gz YXMHQWALOFUHIL-KRWDZBQOSA-N 0 3 394.519 2.946 40 0 GFABHN COc1ccc(CN2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)cc1CO ZINC000019236365 570966607 /nfs/dbraw/zinc/96/66/07/570966607.db2.gz ZGRPYSDZBFMZCI-WMZHIEFXSA-N 0 3 395.503 2.529 40 0 GFABHN CCc1ncc(CN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)cn1 ZINC000019523350 570995688 /nfs/dbraw/zinc/99/56/88/570995688.db2.gz JTTGJPHSOZGMJV-UHFFFAOYSA-N 0 3 379.552 2.821 40 0 GFABHN Cc1nn([C@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556145 571003552 /nfs/dbraw/zinc/00/35/52/571003552.db2.gz NKJCJEADZXZPHI-YJYMSZOUSA-N 0 3 382.512 2.559 40 0 GFABHN COc1cccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC ZINC000019567625 571008774 /nfs/dbraw/zinc/00/87/74/571008774.db2.gz IKZWTARTLYTMFW-QGZVFWFLSA-N 0 3 392.459 2.839 40 0 GFABHN Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@@H]3CCCN(C)C3)n2CC1 ZINC000019709253 571033508 /nfs/dbraw/zinc/03/35/08/571033508.db2.gz YUMDQKBIPJBUGP-MRXNPFEDSA-N 0 3 393.491 2.840 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccccn2)n1 ZINC000329065695 212095055 /nfs/dbraw/zinc/09/50/55/212095055.db2.gz XTXAUZCNRWYSSH-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c1 ZINC000012330098 221182356 /nfs/dbraw/zinc/18/23/56/221182356.db2.gz DIXBVXAXHALXCO-UXHICEINSA-N 0 3 385.460 2.785 40 0 GFABHN C[C@H](O)CNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186513 221164502 /nfs/dbraw/zinc/16/45/02/221164502.db2.gz SKEDBJSPZRKUAM-AWEZNQCLSA-N 0 3 392.434 2.990 40 0 GFABHN COc1ccccc1CN(CCN(C)C)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000012238266 221171410 /nfs/dbraw/zinc/17/14/10/221171410.db2.gz GGLSLZHBFOMUIB-UHFFFAOYSA-N 0 3 384.476 2.599 40 0 GFABHN CC(=O)NCCn1nc([C@H]2CCN(Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019021562 221394737 /nfs/dbraw/zinc/39/47/37/221394737.db2.gz JJHPPRAVOBMXRJ-INIZCTEOSA-N 0 3 398.898 2.605 40 0 GFABHN COC(=O)CSc1nnc(NC(=O)c2ccc(CN3CCCC3)cc2)s1 ZINC000225146818 533584346 /nfs/dbraw/zinc/58/43/46/533584346.db2.gz VSWKEBFBKMVXNL-UHFFFAOYSA-N 0 3 392.506 2.651 40 0 GFABHN Cc1ccc(CN2CC[C@@]3(C2)COCc2c(C)nc(N4CCOCC4)nc23)cc1 ZINC000096244562 136185699 /nfs/dbraw/zinc/18/56/99/136185699.db2.gz MBQAQYFUUHLNCA-HSZRJFAPSA-N 0 3 394.519 2.604 40 0 GFABHN COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000073257869 222268815 /nfs/dbraw/zinc/26/88/15/222268815.db2.gz CGPNWVMBMDTTMA-LEWJYISDSA-N 0 3 398.503 2.839 40 0 GFABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2ccc(OC)cc2)CN(C)C(=O)C1 ZINC000096113428 222380951 /nfs/dbraw/zinc/38/09/51/222380951.db2.gz SOOVWFBYKIYBLN-RTBURBONSA-N 0 3 389.540 2.670 40 0 biogenic,in-vitro GFABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3cncnc3)c2=O)cc1 ZINC000004237334 560197773 /nfs/dbraw/zinc/19/77/73/560197773.db2.gz JISYAVHSLHYTIN-ZWKOTPCHSA-N 0 3 388.471 2.933 40 0 biogenic,in-vitro GFABHN COCCN1C(=O)[C@]2(CC[C@@H]3CN(Cc4cccc(Cl)c4)C[C@@H]32)N=C1C ZINC000096261516 570226194 /nfs/dbraw/zinc/22/61/94/570226194.db2.gz WNEXXHOWDJOYPP-IMFGXOCKSA-N 0 3 375.900 2.828 40 0 GFABHN CCOCCOc1ccc(CN(C)C[C@H](O)COc2cccc(OC)c2)cc1 ZINC000585269817 570238924 /nfs/dbraw/zinc/23/89/24/570238924.db2.gz LHLUXNDYZOCXJO-IBGZPJMESA-N 0 3 389.492 2.982 40 0 GFABHN CC(C)c1nccc(C[C@H]2[C@H](NCc3ccccc3Cl)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382055 570353126 /nfs/dbraw/zinc/35/31/26/570353126.db2.gz BGTJKRQOHHMKRI-HNBVOPMISA-N 0 3 389.927 2.944 40 0 biogenic,in-vitro GFABHN COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222997729 570436061 /nfs/dbraw/zinc/43/60/61/570436061.db2.gz JUHOUEKFSHQQOD-RTBURBONSA-N 0 3 379.489 2.886 40 0 GFABHN Cn1c2ccc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2n(C)c1=O ZINC000039768888 570446375 /nfs/dbraw/zinc/44/63/75/570446375.db2.gz SPUQLCMQAVQRON-UHFFFAOYSA-N 0 3 396.466 2.867 40 0 GFABHN CCN1CCN(CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257202555 570760265 /nfs/dbraw/zinc/76/02/65/570760265.db2.gz AMHRPHSFWLZTJC-LJQANCHMSA-N 0 3 397.494 2.691 40 0 GFABHN CN(C)CCOc1cccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)c1 ZINC000257216597 570762129 /nfs/dbraw/zinc/76/21/29/570762129.db2.gz CVGMVBBXLFNMAI-GMAHTHKFSA-N 0 3 398.503 2.672 40 0 GFABHN COc1ccc(C)cc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000008215724 570765467 /nfs/dbraw/zinc/76/54/67/570765467.db2.gz PPJLWGRYQRWFQB-GOSISDBHSA-N 0 3 377.444 2.949 40 0 GFABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119911107 570924799 /nfs/dbraw/zinc/92/47/99/570924799.db2.gz PZCJSJAMALAIBG-LLVKDONJSA-N 0 3 377.794 2.898 40 0 GFABHN Cc1nc(C)c(CN2CCC[C@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 ZINC000585100868 570928692 /nfs/dbraw/zinc/92/86/92/570928692.db2.gz ZSRKEPCQBPPCEP-FQEVSTJZSA-N 0 3 392.569 2.632 40 0 GFABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccnc2)CC1 ZINC000306126693 570937344 /nfs/dbraw/zinc/93/73/44/570937344.db2.gz FCFYKIDQXNKCNR-UHFFFAOYSA-N 0 3 396.539 2.678 40 0 GFABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306128070 570938084 /nfs/dbraw/zinc/93/80/84/570938084.db2.gz GPHRUCIVJDEBJQ-CTNGQTDRSA-N 0 3 383.517 2.750 40 0 GFABHN COCCN1c2ccccc2C2(CCN(Cc3ccccc3)CC2)S1(=O)=O ZINC000306131629 570939912 /nfs/dbraw/zinc/93/99/12/570939912.db2.gz KKOIIYCOEPHBQK-UHFFFAOYSA-N 0 3 386.517 2.974 40 0 GFABHN Cc1ccc(CN2CCC3(CC[C@@H]4ON=C(C(=O)N5CC(F)C5)[C@@H]43)CC2)o1 ZINC000306132114 570940385 /nfs/dbraw/zinc/94/03/85/570940385.db2.gz KYURHURNVPGNGJ-DLBZAZTESA-N 0 3 375.444 2.515 40 0 GFABHN COc1ccc(-c2nnc3n(c2=O)CC[C@]32CCN(Cc3ccsc3)C2)cc1 ZINC000306135717 570942253 /nfs/dbraw/zinc/94/22/53/570942253.db2.gz OYMVQJCKPXBJHE-NRFANRHFSA-N 0 3 394.500 2.923 40 0 GFABHN COCCN1CC[C@]2(CN(Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140951 570944821 /nfs/dbraw/zinc/94/48/21/570944821.db2.gz VHMMBLHRYJUDKO-GHTZIAJQSA-N 0 3 386.496 2.522 40 0 GFABHN CN1CCC(NC(=O)c2ccn(COc3ccc(Br)cc3)n2)CC1 ZINC000002787761 570989439 /nfs/dbraw/zinc/98/94/39/570989439.db2.gz VESNTVDUVBHWAC-UHFFFAOYSA-N 0 3 393.285 2.506 40 0 GFABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019576042 571011704 /nfs/dbraw/zinc/01/17/04/571011704.db2.gz XHCALFYQEZPZDG-YSIASYRMSA-N 0 3 376.504 2.724 40 0 GFABHN COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1F ZINC000019590681 571018569 /nfs/dbraw/zinc/01/85/69/571018569.db2.gz CCHJDEXCLOKFQL-UHFFFAOYSA-N 0 3 398.482 2.561 40 0 GFABHN COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)nc(C)n1)C2 ZINC000329060275 212094371 /nfs/dbraw/zinc/09/43/71/212094371.db2.gz WKSGWSGFLHHVGB-GOSISDBHSA-N 0 3 384.480 2.563 40 0 GFABHN CN(C)CCNc1cc(N2CCc3cc(Br)ccc3C2)ncn1 ZINC000329066920 212095185 /nfs/dbraw/zinc/09/51/85/212095185.db2.gz YEVMSKRZLRBRGU-UHFFFAOYSA-N 0 3 376.302 2.775 40 0 GFABHN CN(C)CCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccncc2)n1 ZINC000328964933 212091201 /nfs/dbraw/zinc/09/12/01/212091201.db2.gz BYRNWMUUXHBGQV-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN COc1cc(CN2CCC(c3cc4cccnc4[nH]3)CC2)ccc1OCC(N)=O ZINC000012133388 221157325 /nfs/dbraw/zinc/15/73/25/221157325.db2.gz FESPELTUAFRASK-UHFFFAOYSA-N 0 3 394.475 2.815 40 0 GFABHN COc1ccc(CN2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019018393 221394067 /nfs/dbraw/zinc/39/40/67/221394067.db2.gz XWELYQNWRHVFTA-SFHVURJKSA-N 0 3 380.492 2.769 40 0 GFABHN CC(=O)N1CC[C@@H](c2nn(CCNCc3ccccc3Cl)c3nccnc23)C1 ZINC000072391605 222248533 /nfs/dbraw/zinc/24/85/33/222248533.db2.gz QNEDGGXZVYAVTL-MRXNPFEDSA-N 0 3 398.898 2.605 40 0 GFABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096036863 222372311 /nfs/dbraw/zinc/37/23/11/222372311.db2.gz MEMDWDSFZDFBSN-KRWDZBQOSA-N 0 3 388.537 2.703 40 0 GFABHN COCCN(C)c1nc(C2CCN(CCOC)CC2)cc2c1ncn2C(C)C ZINC000096155660 222393787 /nfs/dbraw/zinc/39/37/87/222393787.db2.gz JIKSEHPAOPBKMZ-UHFFFAOYSA-N 0 3 389.544 2.921 40 0 GFABHN NCC1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218472690 553053788 /nfs/dbraw/zinc/05/37/88/553053788.db2.gz CFXYNICRUQHKIL-JKSUJKDBSA-N 0 3 385.316 2.837 40 0 GFABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4cccnc4)cn32)CC1 ZINC000096267409 570227602 /nfs/dbraw/zinc/22/76/02/570227602.db2.gz YPEIWWLZOPJBET-UHFFFAOYSA-N 0 3 391.519 2.837 40 0 GFABHN COC(=O)C[C@]1(C)N[C@@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598346 570303486 /nfs/dbraw/zinc/30/34/86/570303486.db2.gz NFQOYGSKVUFULD-UGTOYMOASA-N 0 3 392.455 2.767 40 0 GFABHN O=S1(=O)CC[C@H](N(CCNCc2cccc(F)c2)Cc2ccc(F)cc2)C1 ZINC000575420021 570307306 /nfs/dbraw/zinc/30/73/06/570307306.db2.gz DHQIZXGJYGQRKN-FQEVSTJZSA-N 0 3 394.487 2.744 40 0 GFABHN COC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242538777 570324504 /nfs/dbraw/zinc/32/45/04/570324504.db2.gz JHEDPLCZGSRVMN-XUVXKRRUSA-N 0 3 375.490 2.535 40 0 GFABHN C[C@@H]1CN(c2nccc(CN3CCN([C@@H]4CCCC[C@H]4C)CC3)n2)C[C@H](C)O1 ZINC000036718916 570561877 /nfs/dbraw/zinc/56/18/77/570561877.db2.gz OYHFXGNONNTNNM-WERVVEIQSA-N 0 3 387.572 2.787 40 0 GFABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4nonc4N)C3)c2)c1 ZINC000257207888 570761204 /nfs/dbraw/zinc/76/12/04/570761204.db2.gz BJUGLSYIEXNITK-ZDUSSCGKSA-N 0 3 394.435 2.737 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306126738 570937260 /nfs/dbraw/zinc/93/72/60/570937260.db2.gz FDTMVAHGIMXNTE-HZPDHXFCSA-N 0 3 379.489 2.896 40 0 GFABHN COc1ccc(Cn2nnnc2[C@@H](C(C)C)N2CCN(C3CCCC3)CC2)cc1 ZINC000020141364 570942054 /nfs/dbraw/zinc/94/20/54/570942054.db2.gz MBOWGOUNUCZJNP-OAQYLSRUSA-N 0 3 398.555 2.987 40 0 GFABHN COc1cc2c(cc1CN1C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C1)OCCO2 ZINC000019216114 570961837 /nfs/dbraw/zinc/96/18/37/570961837.db2.gz PXSMMJDJQHYACJ-WLENULPWSA-N 0 3 396.487 2.899 40 0 GFABHN O=S(=O)(c1ccc(Cl)cc1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019336124 570976052 /nfs/dbraw/zinc/97/60/52/570976052.db2.gz IPMXYYILRWDOAK-KRWDZBQOSA-N 0 3 392.912 2.692 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448289 570984595 /nfs/dbraw/zinc/98/45/95/570984595.db2.gz GBECETCYTDXDQS-SFHVURJKSA-N 0 3 384.455 2.653 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448289 570984597 /nfs/dbraw/zinc/98/45/97/570984597.db2.gz GBECETCYTDXDQS-SFHVURJKSA-N 0 3 384.455 2.653 40 0 GFABHN CCCc1cc(C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)no1 ZINC000019525274 570996751 /nfs/dbraw/zinc/99/67/51/570996751.db2.gz YIRQGBSIROQBOP-HNNXBMFYSA-N 0 3 396.495 2.563 40 0 GFABHN CCCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172762 570997874 /nfs/dbraw/zinc/99/78/74/570997874.db2.gz JYMUQQWBQXQDEW-OAQYLSRUSA-N 0 3 393.531 2.942 40 0 GFABHN COc1ccc(CN2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 ZINC000019552338 571001553 /nfs/dbraw/zinc/00/15/53/571001553.db2.gz VYGBZDQBRCOQDH-INIZCTEOSA-N 0 3 394.479 2.665 40 0 GFABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 ZINC000019575302 571011587 /nfs/dbraw/zinc/01/15/87/571011587.db2.gz SXYSQLFCCAYPMQ-LSTHTHJFSA-N 0 3 389.927 2.860 40 0 GFABHN COc1ccc(CN2C[C@@H](CO)[C@]3(C2)CCc2ccccc2C(=O)N3)c(C)c1C ZINC000019577410 571012358 /nfs/dbraw/zinc/01/23/58/571012358.db2.gz YGJMDLKWHWSELD-GBXCKJPGSA-N 0 3 394.515 2.851 40 0 GFABHN Cc1oc2c(c1C(=O)N1CCC[C@H](c3ncc4c(n3)CCNC4)C1)CCCC2 ZINC000019581231 571013225 /nfs/dbraw/zinc/01/32/25/571013225.db2.gz TWJBWIUNSJGYAK-HNNXBMFYSA-N 0 3 380.492 2.922 40 0 GFABHN CNc1nc([C@@H]2CCCN(CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711510 571035721 /nfs/dbraw/zinc/03/57/21/571035721.db2.gz DFVASYJEQXXESM-LJQANCHMSA-N 0 3 393.535 2.845 40 0 GFABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257301130 222772535 /nfs/dbraw/zinc/77/25/35/222772535.db2.gz RXCPTDUMTOKJDV-CQSZACIVSA-N 0 3 378.473 2.868 40 0 GFABHN COc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)CCN3C(C)(C)C2)cc1 ZINC000253405012 212135852 /nfs/dbraw/zinc/13/58/52/212135852.db2.gz RQGYXMVYVFHGRI-NRFANRHFSA-N 0 3 380.536 2.871 40 0 biogenic,in-vitro GFABHN CN(C)CCNc1nccc(N2CCc3cc(Br)ccc3C2)n1 ZINC000329008468 212093890 /nfs/dbraw/zinc/09/38/90/212093890.db2.gz LQRMWZJTPPNRBR-UHFFFAOYSA-N 0 3 376.302 2.775 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000329071536 212096326 /nfs/dbraw/zinc/09/63/26/212096326.db2.gz ZQSMNOPBUYKRQY-UHFFFAOYSA-N 0 3 377.773 2.849 40 0 GFABHN CN(C)CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)ncn1 ZINC000328960975 212091179 /nfs/dbraw/zinc/09/11/79/212091179.db2.gz AZVIBVPUJGXZBX-UHFFFAOYSA-N 0 3 381.402 2.911 40 0 GFABHN CN(C)CCNc1nccc(N2CCc3ccc(Br)cc3C2)n1 ZINC000328974796 212090071 /nfs/dbraw/zinc/09/00/71/212090071.db2.gz FGQKCQGGAJQCHG-UHFFFAOYSA-N 0 3 376.302 2.775 40 0 GFABHN COc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000012328288 221183168 /nfs/dbraw/zinc/18/31/68/221183168.db2.gz CPEISBDULZCQQH-INIZCTEOSA-N 0 3 394.479 2.665 40 0 GFABHN COc1ccc(CC(=O)N2Cc3ccccc3O[C@H](CN(C)C)C2)cc1OC ZINC000012235125 221171693 /nfs/dbraw/zinc/17/16/93/221171693.db2.gz SKPXLLYCSDLSLP-GOSISDBHSA-N 0 3 384.476 2.598 40 0 GFABHN COc1ccc(CC(=O)N2Cc3ccccc3O[C@@H](CN(C)C)C2)cc1OC ZINC000012235129 221172010 /nfs/dbraw/zinc/17/20/10/221172010.db2.gz SKPXLLYCSDLSLP-SFHVURJKSA-N 0 3 384.476 2.598 40 0 GFABHN COc1cc(CNCCc2ccccc2)c(Br)cc1OCC(N)=O ZINC000016194866 221358792 /nfs/dbraw/zinc/35/87/92/221358792.db2.gz VZCFVUNSBHVYMV-UHFFFAOYSA-N 0 3 393.281 2.654 40 0 GFABHN Cc1cccc(CN2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)c1 ZINC000096243604 570223246 /nfs/dbraw/zinc/22/32/46/570223246.db2.gz YMZOCPALGMDXEP-FQEVSTJZSA-N 0 3 394.519 2.608 40 0 GFABHN COCCOc1cc(CN(C)C[C@@H](O)COc2ccccc2)ccc1OC ZINC000585262527 570230643 /nfs/dbraw/zinc/23/06/43/570230643.db2.gz MBUOBDRCXHCINE-GOSISDBHSA-N 0 3 375.465 2.592 40 0 GFABHN OC1(CN2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 ZINC000585282002 570249657 /nfs/dbraw/zinc/24/96/57/570249657.db2.gz FDMAALIPXFJPJQ-HXUWFJFHSA-N 0 3 383.916 2.867 40 0 GFABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)COC1CCCCC1 ZINC000257336215 570487189 /nfs/dbraw/zinc/48/71/89/570487189.db2.gz YNOTWEWSPUEKDE-OAQYLSRUSA-N 0 3 376.541 2.661 40 0 GFABHN COCCN1C(=O)C(CC(=O)Nc2cccc(F)c2)n2c3ccccc3nc21 ZINC000039963960 570594465 /nfs/dbraw/zinc/59/44/65/570594465.db2.gz DZWABISNKHMELN-QGZVFWFLSA-N 0 3 382.395 2.738 40 0 GFABHN CC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cccc(OC)c4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257200787 570760069 /nfs/dbraw/zinc/76/00/69/570760069.db2.gz AEWYPMIBGWAFKD-AUIAMIIESA-N 0 3 388.508 2.898 40 0 GFABHN Cc1nn(C)cc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C)on1 ZINC000257291062 570776572 /nfs/dbraw/zinc/77/65/72/570776572.db2.gz QFLCDGGENODTNF-CWWINAKGSA-N 0 3 383.496 2.861 40 0 GFABHN CN(C)CCOc1ccc(C(=O)N2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257329147 570782543 /nfs/dbraw/zinc/78/25/43/570782543.db2.gz XISKTSSLYCSBOE-GMAHTHKFSA-N 0 3 398.503 2.672 40 0 GFABHN COc1cccc(O[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@H](N3CCCC3)[C@H]2O)c1 ZINC000257342440 570784698 /nfs/dbraw/zinc/78/46/98/570784698.db2.gz ZOPWDLHUMBLDSD-YRXWBPOGSA-N 0 3 392.496 2.565 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218563958 570928515 /nfs/dbraw/zinc/92/85/15/570928515.db2.gz ITJLHESTTAYOET-SVFBPWRDSA-N 0 3 387.501 2.697 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598309 570931633 /nfs/dbraw/zinc/93/16/33/570931633.db2.gz NHVPZIMWEBWGRF-HBFSDRIKSA-N 0 3 391.464 2.582 40 0 GFABHN CC(C)N1C[C@@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104948 570934033 /nfs/dbraw/zinc/93/40/33/570934033.db2.gz WMCFPNXXWXNOBH-FQEVSTJZSA-N 0 3 386.521 2.664 40 0 GFABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306128072 570937875 /nfs/dbraw/zinc/93/78/75/570937875.db2.gz GPHRUCIVJDEBJQ-PZJWPPBQSA-N 0 3 383.517 2.750 40 0 GFABHN COc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(CC4CC4)nc23)cc1 ZINC000306131444 570939957 /nfs/dbraw/zinc/93/99/57/570939957.db2.gz KEOLSOXTDCJGQI-UHFFFAOYSA-N 0 3 394.519 2.921 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019210867 570960448 /nfs/dbraw/zinc/96/04/48/570960448.db2.gz PVFLDTCQRHDXHJ-ROUUACIJSA-N 0 3 394.519 2.946 40 0 GFABHN Cn1cc(CCC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c2ccccc21 ZINC000019290411 570971802 /nfs/dbraw/zinc/97/18/02/570971802.db2.gz ZQEGZWRFPZIOFY-NRFANRHFSA-N 0 3 389.503 2.910 40 0 GFABHN C[C@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)ccc2O1 ZINC000019497910 570990442 /nfs/dbraw/zinc/99/04/42/570990442.db2.gz JLHNUKNEMNNPFG-HNNXBMFYSA-N 0 3 392.503 2.808 40 0 GFABHN C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 ZINC000019497927 570990571 /nfs/dbraw/zinc/99/05/71/570990571.db2.gz SHPAOOXBTXFXTM-WBVHZDCISA-N 0 3 392.503 2.808 40 0 GFABHN CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019499443 570991955 /nfs/dbraw/zinc/99/19/55/570991955.db2.gz RDDWIBNAJPGLLH-ROUUACIJSA-N 0 3 396.491 2.652 40 0 GFABHN CCc1noc(CC)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019521323 570994517 /nfs/dbraw/zinc/99/45/17/570994517.db2.gz JKIPURJEPMHZFL-AWEZNQCLSA-N 0 3 383.496 2.597 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2cccc(-c3cccc(C)c3)c2)C1=O ZINC000585183584 571000522 /nfs/dbraw/zinc/00/05/22/571000522.db2.gz DSXRDKBCZOKSDD-QFIPXVFZSA-N 0 3 393.531 2.860 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)n1 ZINC000019572731 571010816 /nfs/dbraw/zinc/01/08/16/571010816.db2.gz WKWUZCRYGOZGCC-QGZVFWFLSA-N 0 3 396.539 2.635 40 0 GFABHN COCCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019593308 571019722 /nfs/dbraw/zinc/01/97/22/571019722.db2.gz NFULLNIMVQLMOE-NHCUHLMSSA-N 0 3 398.478 2.909 40 0 GFABHN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 ZINC000253395442 212136122 /nfs/dbraw/zinc/13/61/22/212136122.db2.gz BXHHKDAEPSDNFU-GOTSBHOMSA-N 0 3 383.511 2.579 40 0 biogenic,in-vitro GFABHN CCOc1ccc(CN2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1 ZINC000012124801 221156193 /nfs/dbraw/zinc/15/61/93/221156193.db2.gz JYLJCHOMKQFRHO-DKZVUGQWSA-N 0 3 399.491 2.622 40 0 GFABHN C[C@H](O)CN(Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185771 221163700 /nfs/dbraw/zinc/16/37/00/221163700.db2.gz YWAQLHWCUUBRFF-INIZCTEOSA-N 0 3 382.460 2.925 40 0 GFABHN CC[C@H](CN1CCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000012239747 221171469 /nfs/dbraw/zinc/17/14/69/221171469.db2.gz ZCKZZJBJEWEMAA-GOSISDBHSA-N 0 3 382.508 2.994 40 0 GFABHN COc1cc2c(cc1CN1CCc3nnc([C@@H]4CCCCN4)n3CC1)CCC2 ZINC000072372826 222242320 /nfs/dbraw/zinc/24/23/20/222242320.db2.gz CPDXJQCAHUAOFK-IBGZPJMESA-N 0 3 381.524 2.648 40 0 GFABHN CC(=O)N1CCc2nc([C@H]3CCCN(CCOc4ccccc4C)C3)ncc2C1 ZINC000072390878 222246635 /nfs/dbraw/zinc/24/66/35/222246635.db2.gz QKRVXISDZCIXKA-IBGZPJMESA-N 0 3 394.519 2.948 40 0 GFABHN CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)[C@@H](N)C(C)C ZINC000079393321 222304727 /nfs/dbraw/zinc/30/47/27/222304727.db2.gz QFMVQSAEJAOTKZ-IBGZPJMESA-N 0 3 375.513 2.867 40 0 GFABHN COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCC(N)=O ZINC000007537924 551100876 /nfs/dbraw/zinc/10/08/76/551100876.db2.gz IGQKIYVOHLODCS-UHFFFAOYSA-N 0 3 393.281 2.920 40 0 GFABHN CC(=O)N1CCC(N2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169795 560084638 /nfs/dbraw/zinc/08/46/38/560084638.db2.gz UYJZGLNGFBOQGV-INIZCTEOSA-N 0 3 393.491 2.942 40 0 biogenic,in-vitro GFABHN COc1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCN3)n2)cc1 ZINC000019760349 570216897 /nfs/dbraw/zinc/21/68/97/570216897.db2.gz GNAWNPJTYFOARU-LJQANCHMSA-N 0 3 397.523 2.567 40 0 GFABHN Cc1noc(C)c1CN1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244251 570223588 /nfs/dbraw/zinc/22/35/88/570223588.db2.gz POMVQNIOTSQTOU-NRFANRHFSA-N 0 3 377.448 2.817 40 0 GFABHN CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 ZINC000100750564 570276671 /nfs/dbraw/zinc/27/66/71/570276671.db2.gz ATSPNJYHGGRMPU-OKZBNKHCSA-N 0 3 399.539 2.514 40 0 GFABHN CSc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1NC(C)=O ZINC000222840264 570428505 /nfs/dbraw/zinc/42/85/05/570428505.db2.gz HPGYEOOSRPVAEM-CQSZACIVSA-N 0 3 399.582 2.767 40 0 GFABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1scnc1C)CC2 ZINC000248034230 570720482 /nfs/dbraw/zinc/72/04/82/570720482.db2.gz MWZXIIGCMZXUCI-GOSISDBHSA-N 0 3 377.554 2.939 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccc(OC)cc1 ZINC000257257098 570771075 /nfs/dbraw/zinc/77/10/75/570771075.db2.gz KOCNOEPMJBYNLR-CTNGQTDRSA-N 0 3 387.524 2.547 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NC2CCN(C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000257280962 570774921 /nfs/dbraw/zinc/77/49/21/570774921.db2.gz ONBYQXPEGDRUHI-MJGOQNOKSA-N 0 3 377.916 2.850 40 0 GFABHN Cc1nc2cc(NC(=O)CN3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)ccc2[nH]1 ZINC000257301673 570778578 /nfs/dbraw/zinc/77/85/78/570778578.db2.gz RZIVBYJMROAGOH-GPMSIDNRSA-N 0 3 390.491 2.801 40 0 GFABHN Cc1nc2ccc(NC(=O)CN3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2[nH]1 ZINC000257301673 570778580 /nfs/dbraw/zinc/77/85/80/570778580.db2.gz RZIVBYJMROAGOH-GPMSIDNRSA-N 0 3 390.491 2.801 40 0 GFABHN Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCCN(Cc1cccc(C)c1)C2 ZINC000585104373 570933151 /nfs/dbraw/zinc/93/31/51/570933151.db2.gz LFKLBIONHOBFNX-QFIPXVFZSA-N 0 3 383.492 2.851 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CCC(O)CC4)C3)CC2)cc1F ZINC000585104598 570933758 /nfs/dbraw/zinc/93/37/58/570933758.db2.gz RAVUGLDNRRTFMI-IBGZPJMESA-N 0 3 390.499 2.602 40 0 GFABHN COc1ccc(CN2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 ZINC000306129219 570938416 /nfs/dbraw/zinc/93/84/16/570938416.db2.gz HXUHJPOHYJCNCI-HSZRJFAPSA-N 0 3 388.471 2.861 40 0 GFABHN Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4cc(C)on4)[C@H]3C2)n(C)n1 ZINC000585109832 570938488 /nfs/dbraw/zinc/93/84/88/570938488.db2.gz YSWIUHLCLCLVMS-IRFCIJBXSA-N 0 3 391.475 2.725 40 0 GFABHN Cc1ccc(OC(C)(C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019210750 570960608 /nfs/dbraw/zinc/96/06/08/570960608.db2.gz PLUDSJRTHPBDAA-IBGZPJMESA-N 0 3 380.492 2.952 40 0 GFABHN COc1ccc(CN2CCC(CNC(=O)[C@H](C)Cn3nccc3C)CC2)cc1 ZINC000019238343 570967993 /nfs/dbraw/zinc/96/79/93/570967993.db2.gz ZEPQZWPFZFKNMC-QGZVFWFLSA-N 0 3 384.524 2.865 40 0 GFABHN c1cc(CN(CCCN2CCOCC2)Cc2cccnc2)n(-c2ccncc2)c1 ZINC000019338594 570976569 /nfs/dbraw/zinc/97/65/69/570976569.db2.gz ZCMYJKBDJCRSBV-UHFFFAOYSA-N 0 3 391.519 2.992 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183589 571000664 /nfs/dbraw/zinc/00/06/64/571000664.db2.gz FLZNCXPRNXREOT-FQEVSTJZSA-N 0 3 379.504 2.552 40 0 GFABHN CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019583221 571014073 /nfs/dbraw/zinc/01/40/73/571014073.db2.gz KAEBQJXSWUAAHR-KRWDZBQOSA-N 0 3 395.482 2.691 40 0 GFABHN C=Cn1cc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584196 571014776 /nfs/dbraw/zinc/01/47/76/571014776.db2.gz KSLFRXOFQUKVQL-QGZVFWFLSA-N 0 3 382.512 2.745 40 0 GFABHN C=Cn1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584196 571014778 /nfs/dbraw/zinc/01/47/78/571014778.db2.gz KSLFRXOFQUKVQL-QGZVFWFLSA-N 0 3 382.512 2.745 40 0 GFABHN CN1CC[C@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 ZINC000019587904 571015616 /nfs/dbraw/zinc/01/56/16/571015616.db2.gz BMAKGQJUFCIKLX-KRWDZBQOSA-N 0 3 395.482 2.739 40 0 GFABHN CN(C)c1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590445 571017962 /nfs/dbraw/zinc/01/79/62/571017962.db2.gz PNIGIWVIUSZDFU-KRWDZBQOSA-N 0 3 379.508 2.550 40 0 GFABHN Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)n2)o1 ZINC000019698320 571031052 /nfs/dbraw/zinc/03/10/52/571031052.db2.gz NUTGYNWMGSJTSF-LJQANCHMSA-N 0 3 383.496 2.724 40 0 GFABHN COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503579 575370040 /nfs/dbraw/zinc/37/00/40/575370040.db2.gz CFHJNLGARGDGIY-DLBZAZTESA-N 0 3 399.466 2.582 40 0 biogenic,in-vitro GFABHN CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635337 291119272 /nfs/dbraw/zinc/11/92/72/291119272.db2.gz NDGOBKTUZYATTD-OTWHNJEPSA-N 0 3 381.524 2.973 40 0 biogenic,in-vitro GFABHN CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000328983245 212092731 /nfs/dbraw/zinc/09/27/31/212092731.db2.gz HFHSWCQPFUHVDU-UHFFFAOYSA-N 0 3 383.418 2.680 40 0 GFABHN O=C1C2=C(CN1CCN1CCCC1)NC(=O)N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000012113457 221151622 /nfs/dbraw/zinc/15/16/22/221151622.db2.gz WUKRXURGTHMNNU-INIZCTEOSA-N 0 3 395.290 2.539 40 0 GFABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c1 ZINC000012330110 221182526 /nfs/dbraw/zinc/18/25/26/221182526.db2.gz DIXBVXAXHALXCO-VQTJNVASSA-N 0 3 385.460 2.785 40 0 GFABHN O=C1CCc2cc(S(=O)(=O)N3CCCC[C@H]3CN3CCCCC3)ccc2N1 ZINC000012362456 221184336 /nfs/dbraw/zinc/18/43/36/221184336.db2.gz LAFMMOKWZIKUSQ-KRWDZBQOSA-N 0 3 391.537 2.600 40 0 GFABHN COc1ccccc1/C=C\C[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365921 221185571 /nfs/dbraw/zinc/18/55/71/221185571.db2.gz QLPVJGLMQLAYKJ-SUZKBHRPSA-N 0 3 396.491 2.530 40 0 GFABHN COc1ccccc1/C=C\C[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365921 221185574 /nfs/dbraw/zinc/18/55/74/221185574.db2.gz QLPVJGLMQLAYKJ-SUZKBHRPSA-N 0 3 396.491 2.530 40 0 GFABHN COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019078787 221394966 /nfs/dbraw/zinc/39/49/66/221394966.db2.gz BJYDGOBOSGTUJJ-FOIQADDNSA-N 0 3 396.491 2.604 40 0 GFABHN Cc1cnc(Nc2cc(C[C@H]3CCCN(C(=O)C(C)(C)N)C3)nc(C)n2)s1 ZINC000072382941 222246611 /nfs/dbraw/zinc/24/66/11/222246611.db2.gz YPFNREGDSAPTCX-CQSZACIVSA-N 0 3 388.541 2.812 40 0 GFABHN COc1cccc([C@H]2c3cc4c(cc3O[C@H](NCCO)[C@@H]2C)OCO4)c1OC ZINC000073257552 222269249 /nfs/dbraw/zinc/26/92/49/222269249.db2.gz CKUCWPTUZQKDGP-SIJSFFJVSA-N 0 3 387.432 2.501 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccncc2)CCN3C)s1 ZINC000096050127 222375434 /nfs/dbraw/zinc/37/54/34/222375434.db2.gz XPYAAYZILIPYEG-UHFFFAOYSA-N 0 3 384.549 2.760 40 0 GFABHN Cc1cccc2c1nc1n2[C@@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 ZINC000096112650 222381273 /nfs/dbraw/zinc/38/12/73/222381273.db2.gz XAHRUUJMWMCURI-INIZCTEOSA-N 0 3 385.489 2.609 40 0 biogenic,in-vitro GFABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)CO)cc1 ZINC000242543433 553088142 /nfs/dbraw/zinc/08/81/42/553088142.db2.gz JZWLTCJZSATAHA-CEXWTWQISA-N 0 3 379.909 2.780 40 0 GFABHN CS(=O)(=O)c1ccc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 ZINC000096296450 560060303 /nfs/dbraw/zinc/06/03/03/560060303.db2.gz IVUXVGKYJLFXGZ-SFHVURJKSA-N 0 3 397.500 2.642 40 0 biogenic,in-vitro GFABHN CN(C)CCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)n1 ZINC000329070216 570216861 /nfs/dbraw/zinc/21/68/61/570216861.db2.gz ZEWVSYMEFOIDAR-UHFFFAOYSA-N 0 3 383.446 2.851 40 0 GFABHN CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 ZINC000100750565 570276677 /nfs/dbraw/zinc/27/66/77/570276677.db2.gz ATSPNJYHGGRMPU-KURKYZTESA-N 0 3 399.539 2.514 40 0 GFABHN CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000107184827 570308750 /nfs/dbraw/zinc/30/87/50/570308750.db2.gz NSASWCPTVHBOFQ-ROUUACIJSA-N 0 3 387.505 2.518 40 0 GFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccn1 ZINC000223254401 570453358 /nfs/dbraw/zinc/45/33/58/570453358.db2.gz HEZUABSYFCHVGY-PMACEKPBSA-N 0 3 392.532 2.801 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1cccc(OC)c1 ZINC000257207513 570761166 /nfs/dbraw/zinc/76/11/66/570761166.db2.gz BICGXMVCGFFART-CTNGQTDRSA-N 0 3 387.524 2.597 40 0 GFABHN Cc1noc(C)c1-c1cncc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)n1 ZINC000257231953 570765421 /nfs/dbraw/zinc/76/54/21/570765421.db2.gz GIUZAPSXUQHAEG-QGZVFWFLSA-N 0 3 397.523 2.871 40 0 GFABHN COc1cc2c(cc1CN1CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 ZINC000257231725 570765732 /nfs/dbraw/zinc/76/57/32/570765732.db2.gz GHYKYRUFJOMNJK-KRWDZBQOSA-N 0 3 382.508 2.988 40 0 GFABHN Cc1ncsc1CN1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257242407 570768378 /nfs/dbraw/zinc/76/83/78/570768378.db2.gz ICIHNJVDWPGWFF-CQSZACIVSA-N 0 3 384.509 2.576 40 0 GFABHN CNc1cc(CN(C)Cc2ccc(N3CCCC3=O)cc2)nc([C@@H]2CCCN2)n1 ZINC000019760675 570888753 /nfs/dbraw/zinc/88/87/53/570888753.db2.gz NPQYPRMCDZKCJD-IBGZPJMESA-N 0 3 394.523 2.702 40 0 GFABHN COc1ccc(CN2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC000585103328 570932001 /nfs/dbraw/zinc/93/20/01/570932001.db2.gz BFSFJWLLXRWMTC-QHCPKHFHSA-N 0 3 380.488 2.946 40 0 GFABHN O=C(c1cc(C2CC2)on1)N1CCO[C@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306126821 570937309 /nfs/dbraw/zinc/93/73/09/570937309.db2.gz FGBOWWCWZXPYSO-RBBKRZOGSA-N 0 3 396.491 2.891 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306131050 570939429 /nfs/dbraw/zinc/93/94/29/570939429.db2.gz JVIAUTCSXBNKOV-DLBZAZTESA-N 0 3 391.450 2.974 40 0 GFABHN COc1ccc(Cn2nnnc2[C@H](C(C)C)N2CCN(C3CCCC3)CC2)cc1 ZINC000020141367 570941980 /nfs/dbraw/zinc/94/19/80/570941980.db2.gz MBOWGOUNUCZJNP-NRFANRHFSA-N 0 3 398.555 2.987 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019210865 570960629 /nfs/dbraw/zinc/96/06/29/570960629.db2.gz PVFLDTCQRHDXHJ-MSOLQXFVSA-N 0 3 394.519 2.946 40 0 GFABHN CC1CCN(CCNC(=O)C2CCN(c3ncnc4ccccc43)CC2)CC1 ZINC000019496900 570989883 /nfs/dbraw/zinc/98/98/83/570989883.db2.gz SXUYSAKVCBOXOW-UHFFFAOYSA-N 0 3 381.524 2.694 40 0 GFABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)c2C1 ZINC000019497124 570989894 /nfs/dbraw/zinc/98/98/94/570989894.db2.gz IDEOWRDIRPUADZ-SUMWQHHRSA-N 0 3 381.480 2.555 40 0 GFABHN C[C@H]1Cc2cc(CCC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019498128 570990979 /nfs/dbraw/zinc/99/09/79/570990979.db2.gz IILXNRFTHARSIB-YWZLYKJASA-N 0 3 392.503 2.742 40 0 GFABHN CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019499442 570992039 /nfs/dbraw/zinc/99/20/39/570992039.db2.gz RDDWIBNAJPGLLH-ZWKOTPCHSA-N 0 3 396.491 2.652 40 0 GFABHN CC[C@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019499439 570992156 /nfs/dbraw/zinc/99/21/56/570992156.db2.gz UCKNEPMFCDSGBT-ROUUACIJSA-N 0 3 384.455 2.783 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183613 571000760 /nfs/dbraw/zinc/00/07/60/571000760.db2.gz NOGDNNDHEHPHPF-IBGZPJMESA-N 0 3 397.494 2.691 40 0 GFABHN CCCN1CCN(C(=O)CNC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585183591 571000771 /nfs/dbraw/zinc/00/07/71/571000771.db2.gz GKHNCHDOFSQMTO-NRFANRHFSA-N 0 3 393.531 2.813 40 0 GFABHN Cc1nn(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019557103 571003860 /nfs/dbraw/zinc/00/38/60/571003860.db2.gz SALMJRJVUCBAFB-FQEVSTJZSA-N 0 3 396.539 2.730 40 0 GFABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019576040 571011685 /nfs/dbraw/zinc/01/16/85/571011685.db2.gz XHCALFYQEZPZDG-DFQSSKMNSA-N 0 3 376.504 2.724 40 0 GFABHN CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CN(CC2CC2)CCO1 ZINC000019580866 571013043 /nfs/dbraw/zinc/01/30/43/571013043.db2.gz SQISVCFNYPDJMM-QHCPKHFHSA-N 0 3 379.504 2.860 40 0 GFABHN CN1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 ZINC000019590584 571018022 /nfs/dbraw/zinc/01/80/22/571018022.db2.gz KYIFJTRQWKKSOH-KRWDZBQOSA-N 0 3 392.912 2.644 40 0 GFABHN COCCOc1cccc(CN2CC[C@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000019593781 571020371 /nfs/dbraw/zinc/02/03/71/571020371.db2.gz WWVOHEWPHSGFPZ-INIZCTEOSA-N 0 3 381.436 2.541 40 0 GFABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 ZINC000019711112 571035177 /nfs/dbraw/zinc/03/51/77/571035177.db2.gz MPOJNVWXALYWME-KRWDZBQOSA-N 0 3 392.507 2.544 40 0 GFABHN CN1CCC(c2nnc3n2CCN(C(=O)CCc2cccc(Cl)c2)C3)CC1 ZINC000019711279 571035300 /nfs/dbraw/zinc/03/53/00/571035300.db2.gz IFHFFJQHOLUVHH-UHFFFAOYSA-N 0 3 387.915 2.716 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccncc2)n1 ZINC000329040818 212093088 /nfs/dbraw/zinc/09/30/88/212093088.db2.gz SGGJWPJLFUJCDY-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019134277 221398681 /nfs/dbraw/zinc/39/86/81/221398681.db2.gz HJKJWWLCUNIABB-GOSISDBHSA-N 0 3 396.491 2.524 40 0 GFABHN COc1cc(C)ccc1OCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019134316 221399049 /nfs/dbraw/zinc/39/90/49/221399049.db2.gz HQWOADNYNBSEJQ-GOSISDBHSA-N 0 3 396.491 2.572 40 0 GFABHN C[C@@H]1Cc2cc(CCC(=O)N3CCc4nc([C@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019498129 221416481 /nfs/dbraw/zinc/41/64/81/221416481.db2.gz IILXNRFTHARSIB-FOIQADDNSA-N 0 3 392.503 2.742 40 0 GFABHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019499412 221417282 /nfs/dbraw/zinc/41/72/82/221417282.db2.gz XLMPTCJXRPZZNA-ZWKOTPCHSA-N 0 3 384.455 2.783 40 0 GFABHN CN(CCO)C(=O)c1cc([C@@H]2CCN(Cc3cccnc3)C2)nc2ccccc21 ZINC000072356013 222239851 /nfs/dbraw/zinc/23/98/51/222239851.db2.gz NMCORAPZBSIQAJ-GOSISDBHSA-N 0 3 390.487 2.684 40 0 GFABHN O=C(c1cc([C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380541 222245912 /nfs/dbraw/zinc/24/59/12/222245912.db2.gz BRKRDJGNNGQUJH-MRXNPFEDSA-N 0 3 388.899 2.915 40 0 GFABHN CC(C)[N@@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)n2)C1 ZINC000072399208 222253135 /nfs/dbraw/zinc/25/31/35/222253135.db2.gz RLQMQYYSZBJAFA-JQHSSLGASA-N 0 3 386.540 2.720 40 0 GFABHN CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)n2)C1 ZINC000072399208 222253138 /nfs/dbraw/zinc/25/31/38/222253138.db2.gz RLQMQYYSZBJAFA-JQHSSLGASA-N 0 3 386.540 2.720 40 0 GFABHN NC[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535308 553053825 /nfs/dbraw/zinc/05/38/25/553053825.db2.gz SDLAFJXOWAOMLD-IKGGRYGDSA-N 0 3 386.300 2.871 40 0 GFABHN Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NCCN(C)C)n1 ZINC000328995863 563470069 /nfs/dbraw/zinc/47/00/69/563470069.db2.gz JIUAVKCDKCMAAU-UHFFFAOYSA-N 0 3 390.329 3.084 40 0 GFABHN Cc1ccc(C)c(OC[C@@]2(O)CN(CC3(O)CCCCCC3)CC[C@@H]2O)c1C ZINC000585284767 570253794 /nfs/dbraw/zinc/25/37/94/570253794.db2.gz ZTQGRQUXMNDFHG-REWPJTCUSA-N 0 3 391.552 2.874 40 0 GFABHN CN(C)C/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000585292565 570261978 /nfs/dbraw/zinc/26/19/78/570261978.db2.gz OPOVEZFDXPAQKN-DRDHIDPGSA-N 0 3 386.525 2.576 40 0 GFABHN CN(CCN(C)C[C@@H]1COc2ccccc2O1)C[C@@H]1COc2ccccc2O1 ZINC000022581221 570322271 /nfs/dbraw/zinc/32/22/71/570322271.db2.gz XLOCDSFWANAFJC-QZTJIDSGSA-N 0 3 384.476 2.530 40 0 GFABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4nonc4N)C3)c2)c1 ZINC000257207887 570761215 /nfs/dbraw/zinc/76/12/15/570761215.db2.gz BJUGLSYIEXNITK-CYBMUJFWSA-N 0 3 394.435 2.737 40 0 GFABHN COC[C@H](C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 ZINC000257259805 570771478 /nfs/dbraw/zinc/77/14/78/570771478.db2.gz LACUKZXPOVJESI-KRWDZBQOSA-N 0 3 397.523 2.859 40 0 GFABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306125899 570936763 /nfs/dbraw/zinc/93/67/63/570936763.db2.gz DFDLGRGLDMYOGS-GGAORHGYSA-N 0 3 395.478 2.828 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306131088 570939049 /nfs/dbraw/zinc/93/90/49/570939049.db2.gz JWDBWYNCCMBXFT-ZIAGYGMSSA-N 0 3 381.411 2.567 40 0 GFABHN CC(C)N1CC2(CCN(CC3CC3)CC2)COc2ccccc2S1(=O)=O ZINC000306138703 570943663 /nfs/dbraw/zinc/94/36/63/570943663.db2.gz SETAWAADIMCMPY-UHFFFAOYSA-N 0 3 378.538 2.970 40 0 GFABHN Cc1nc(C)n(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CCN3C)n1 ZINC000019285746 570969657 /nfs/dbraw/zinc/96/96/57/570969657.db2.gz NUXJNSLPRWBUEW-KCZVDYSFSA-N 0 3 381.524 2.764 40 0 GFABHN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019336673 570976653 /nfs/dbraw/zinc/97/66/53/570976653.db2.gz XWQBINUPYJOEDD-SFHVURJKSA-N 0 3 393.422 2.894 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448291 570984551 /nfs/dbraw/zinc/98/45/51/570984551.db2.gz GBECETCYTDXDQS-GOSISDBHSA-N 0 3 384.455 2.653 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448291 570984553 /nfs/dbraw/zinc/98/45/53/570984553.db2.gz GBECETCYTDXDQS-GOSISDBHSA-N 0 3 384.455 2.653 40 0 GFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019499436 570991990 /nfs/dbraw/zinc/99/19/90/570991990.db2.gz BSXALHGRFBSHAG-WOJBJXKFSA-N 0 3 396.491 2.652 40 0 GFABHN CCOc1ccccc1C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019520133 570993311 /nfs/dbraw/zinc/99/33/11/570993311.db2.gz AATDGJXRMFVTFP-UHFFFAOYSA-N 0 3 380.492 2.883 40 0 GFABHN CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1OC ZINC000019533698 570999801 /nfs/dbraw/zinc/99/98/01/570999801.db2.gz OAAVBCNEPSPULD-VSOVRNOCSA-N 0 3 385.508 2.947 40 0 GFABHN Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556161 571003588 /nfs/dbraw/zinc/00/35/88/571003588.db2.gz DZQMUBHFEAZSIZ-YJYMSZOUSA-N 0 3 382.512 2.559 40 0 GFABHN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC[C@H]1CCN1CCCC1 ZINC000019577606 571012207 /nfs/dbraw/zinc/01/22/07/571012207.db2.gz BTPVVGWESJLHBQ-HNNXBMFYSA-N 0 3 390.500 2.924 40 0 GFABHN C=Cn1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584201 571014705 /nfs/dbraw/zinc/01/47/05/571014705.db2.gz KSLFRXOFQUKVQL-KRWDZBQOSA-N 0 3 382.512 2.745 40 0 GFABHN C=Cn1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584201 571014709 /nfs/dbraw/zinc/01/47/09/571014709.db2.gz KSLFRXOFQUKVQL-KRWDZBQOSA-N 0 3 382.512 2.745 40 0 GFABHN COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1F ZINC000019590415 571017937 /nfs/dbraw/zinc/01/79/37/571017937.db2.gz VVSMSEBAEVZHPD-INIZCTEOSA-N 0 3 398.482 2.561 40 0 GFABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 ZINC000019709294 571033834 /nfs/dbraw/zinc/03/38/34/571033834.db2.gz VPOKULJJXWFTQU-INIZCTEOSA-N 0 3 379.464 2.532 40 0 GFABHN O=C1CCCN1c1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012327630 204398338 /nfs/dbraw/zinc/39/83/38/204398338.db2.gz JWFBNGAGEKTXOP-NRFANRHFSA-N 0 3 398.478 2.970 40 0 GFABHN O=C(CN1CCCC1)N1CCC[C@H]1c1cc(CCOc2cccc(F)c2)[nH]n1 ZINC000072378341 205339229 /nfs/dbraw/zinc/33/92/29/205339229.db2.gz RMBHUJYNIHFQEM-FQEVSTJZSA-N 0 3 386.471 2.930 40 0 GFABHN CC(C)[N@@H+]1CCc2nc(C3CCN(C(=O)C4[C@@H]5CCCC[C@H]45)CC3)[n-]c(=O)c2C1 ZINC000072398712 205343756 /nfs/dbraw/zinc/34/37/56/205343756.db2.gz CEZGFZZIOVKERE-XEWABKELSA-N 0 3 398.551 2.679 40 0 GFABHN CC(C)[N@H+]1CCc2nc(C3CCN(C(=O)C4[C@@H]5CCCC[C@H]45)CC3)[n-]c(=O)c2C1 ZINC000072398712 205343761 /nfs/dbraw/zinc/34/37/61/205343761.db2.gz CEZGFZZIOVKERE-XEWABKELSA-N 0 3 398.551 2.679 40 0 GFABHN CN(c1ccc(F)cc1)[C@H]1COC2(C1)CCN(C(=O)CN1CCCC1)CC2 ZINC000257287751 206173931 /nfs/dbraw/zinc/17/39/31/206173931.db2.gz PRJFFOUREWAOQQ-LJQANCHMSA-N 0 3 375.488 2.508 40 0 GFABHN O=C(c1ccc2[nH]cnc2c1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257247263 206167023 /nfs/dbraw/zinc/16/70/23/206167023.db2.gz IYEOVXHQCHDUBG-LJQANCHMSA-N 0 3 392.450 2.651 40 0 GFABHN COCCN1CC[C@@]2(CN(Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140952 206205752 /nfs/dbraw/zinc/20/57/52/206205752.db2.gz VHMMBLHRYJUDKO-NQIIRXRSSA-N 0 3 386.496 2.522 40 0 GFABHN COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3cc(C)cc(C)c3)CC2)C1 ZINC000306141714 206206957 /nfs/dbraw/zinc/20/69/57/206206957.db2.gz WEMLZOVZWNULNZ-UHFFFAOYSA-N 0 3 383.496 2.777 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@@H]1CN(Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306124014 206197719 /nfs/dbraw/zinc/19/77/19/206197719.db2.gz BDBPGRQWSJNXBW-GJZGRUSLSA-N 0 3 385.899 2.518 40 0 GFABHN CN(C)CCNC(=O)c1nc(-c2ccn(Cc3ccccn3)c2)n2ccccc12 ZINC000306129004 206199927 /nfs/dbraw/zinc/19/99/27/206199927.db2.gz HRBZXBHSSBIMFH-UHFFFAOYSA-N 0 3 388.475 2.538 40 0 GFABHN CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2CN(C3CCCCC3)CCN21 ZINC000253405238 560040242 /nfs/dbraw/zinc/04/02/42/560040242.db2.gz SCIKGCNJOOTLKA-IBGZPJMESA-N 0 3 391.581 2.788 40 0 biogenic,in-vitro GFABHN CN(C)CCNc1nc(Nc2c(F)ccc(F)c2F)cc(-c2cccnc2)n1 ZINC000328982126 570210481 /nfs/dbraw/zinc/21/04/81/570210481.db2.gz GYEMFILYGJGAPY-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN Cc1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cn1-c1ccccn1 ZINC000096266832 570227194 /nfs/dbraw/zinc/22/71/94/570227194.db2.gz LHHOAWOPBUZYES-UHFFFAOYSA-N 0 3 388.475 2.787 40 0 GFABHN CN(Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)COc1ccccc1 ZINC000257206775 570487219 /nfs/dbraw/zinc/48/72/19/570487219.db2.gz BEVUXJGFJVJNRZ-FQEVSTJZSA-N 0 3 398.503 2.560 40 0 GFABHN CCCCNC(=S)N(CCN(C)C)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000004133594 570618182 /nfs/dbraw/zinc/61/81/82/570618182.db2.gz LAWJJQYGTQTGQY-UHFFFAOYSA-N 0 3 390.553 2.575 40 0 GFABHN O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102253 570930123 /nfs/dbraw/zinc/93/01/23/570930123.db2.gz VNFNPYTTZNSPTE-NFBKMPQASA-N 0 3 397.519 2.895 40 0 GFABHN C[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019079479 570955712 /nfs/dbraw/zinc/95/57/12/570955712.db2.gz CXPMOVBPKMCQAU-OAHLLOKOSA-N 0 3 398.482 2.777 40 0 GFABHN O=C(CCOc1ccc(Cl)cc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019335886 570976105 /nfs/dbraw/zinc/97/61/05/570976105.db2.gz JHSGHGBOVFSZME-SFHVURJKSA-N 0 3 386.883 2.908 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448269 570984461 /nfs/dbraw/zinc/98/44/61/570984461.db2.gz LPDRHVHJQOIAIF-IBGZPJMESA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448269 570984466 /nfs/dbraw/zinc/98/44/66/570984466.db2.gz LPDRHVHJQOIAIF-IBGZPJMESA-N 0 3 398.482 2.582 40 0 GFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019499406 570991527 /nfs/dbraw/zinc/99/15/27/570991527.db2.gz SJERYABBIIQIHU-WOJBJXKFSA-N 0 3 396.491 2.652 40 0 GFABHN COc1ccc(CN2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1OC ZINC000019588676 571016339 /nfs/dbraw/zinc/01/63/39/571016339.db2.gz WXQCPDGJSUVQJL-KRWDZBQOSA-N 0 3 382.508 2.861 40 0 GFABHN COc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 ZINC000019590446 571017927 /nfs/dbraw/zinc/01/79/27/571017927.db2.gz DIUCPFKEOCKEQZ-OAHLLOKOSA-N 0 3 396.491 2.502 40 0 GFABHN Cc1ccc2oc(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)cc2c1 ZINC000019709273 571033708 /nfs/dbraw/zinc/03/37/08/571033708.db2.gz UNSCLXHBTLAHJQ-MRXNPFEDSA-N 0 3 393.491 2.840 40 0 GFABHN Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)cc21 ZINC000019709271 571033852 /nfs/dbraw/zinc/03/38/52/571033852.db2.gz FHJSVKGWLBPPOO-MRXNPFEDSA-N 0 3 392.507 2.576 40 0 GFABHN Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019715540 571037181 /nfs/dbraw/zinc/03/71/81/571037181.db2.gz QPMOBWMWZHMTAO-HNNXBMFYSA-N 0 3 398.486 2.946 40 0 GFABHN Cc1cn2c(ncc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)c2=O)s1 ZINC000019717086 571039224 /nfs/dbraw/zinc/03/92/24/571039224.db2.gz DYQOWTPNSSTTNW-SFHVURJKSA-N 0 3 396.516 2.940 40 0 GFABHN CCN1CC[C@@]2(CN(C(C)=O)CC23CCN(Cc2ccc(C)s2)CC3)C1=O ZINC000096036499 571096597 /nfs/dbraw/zinc/09/65/97/571096597.db2.gz JHJYTCUUOZIUIY-OAQYLSRUSA-N 0 3 389.565 2.739 40 0 GFABHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(O)cc1 ZINC000008373800 204274143 /nfs/dbraw/zinc/27/41/43/204274143.db2.gz WHUXLOHNPIBBOP-LJQANCHMSA-N 0 3 378.428 2.996 40 0 GFABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293388 204389035 /nfs/dbraw/zinc/38/90/35/204389035.db2.gz OLURAHSSWPUPKF-OALUTQOASA-N 0 3 397.471 2.842 40 0 GFABHN CCOc1cc(CN2CCC(O)(c3cccc(C)c3)CC2)ccc1OCC(N)=O ZINC000012293031 204389066 /nfs/dbraw/zinc/38/90/66/204389066.db2.gz RVRJJOWFOMTTTF-UHFFFAOYSA-N 0 3 398.503 2.741 40 0 GFABHN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019336683 204637388 /nfs/dbraw/zinc/63/73/88/204637388.db2.gz QIDBSOATDLKXAA-QGZVFWFLSA-N 0 3 393.422 2.894 40 0 GFABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)OCCCO3)C1 ZINC000036741286 205021747 /nfs/dbraw/zinc/02/17/47/205021747.db2.gz FQQOAKRNTCAAEB-WMZHIEFXSA-N 0 3 399.487 2.874 40 0 GFABHN CN1CCC(C(=O)N2CCC[C@@H](c3nc(N)ncc3-c3ccc(F)cc3)C2)CC1 ZINC000072346251 205329212 /nfs/dbraw/zinc/32/92/12/205329212.db2.gz XKWNPYHKUWTZMA-QGZVFWFLSA-N 0 3 397.498 2.913 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000072390767 205341775 /nfs/dbraw/zinc/34/17/75/205341775.db2.gz RUBDUIZSCNFHGY-UZLBHIALSA-N 0 3 380.492 2.952 40 0 GFABHN CN1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(Cc3cccnc3)CC2)C1 ZINC000306131677 206201636 /nfs/dbraw/zinc/20/16/36/206201636.db2.gz KLZYHLPAGNCKCZ-UHFFFAOYSA-N 0 3 392.482 2.916 40 0 GFABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514288522 560034895 /nfs/dbraw/zinc/03/48/95/560034895.db2.gz BWRFWQYZPZEDSQ-RTBURBONSA-N 0 3 397.485 2.667 40 0 biogenic,in-vitro GFABHN Cc1ccc(C(C)(C)C(=O)N2CC[C@H](C(=O)NCCN3CCCCC3)C2)cc1 ZINC000019745424 570213547 /nfs/dbraw/zinc/21/35/47/570213547.db2.gz GDGOAVBJNMAQBA-IBGZPJMESA-N 0 3 385.552 2.723 40 0 GFABHN CC(C)n1c2c(nc1C(=O)N1CC[C@H](N(C)C)C1)CN(Cc1ccccc1)CC2 ZINC000096147137 570214213 /nfs/dbraw/zinc/21/42/13/570214213.db2.gz WSZGDTLVTVEXKN-IBGZPJMESA-N 0 3 395.551 2.798 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)cccc2Cl)cc(-c2cccnc2)n1 ZINC000329039785 570214516 /nfs/dbraw/zinc/21/45/16/570214516.db2.gz SAGZMVMOIIVQBP-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN CN(C)CCNc1nc(NCc2ccccc2Cl)cc(-c2ccncc2)n1 ZINC000329055356 570215633 /nfs/dbraw/zinc/21/56/33/570215633.db2.gz VNFOYOSTMLLCOL-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN CN(C)CCNC(=O)c1c2ccccn2c2ncnc(NCc3ccccc3)c12 ZINC000096264370 570226982 /nfs/dbraw/zinc/22/69/82/570226982.db2.gz QRJLLPKUUKTHBJ-UHFFFAOYSA-N 0 3 388.475 2.786 40 0 GFABHN CCOCCOc1ccc(CN(C)C[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270180 570239079 /nfs/dbraw/zinc/23/90/79/570239079.db2.gz HUKZRHOWUQCKSQ-JOCHJYFZSA-N 0 3 385.508 2.570 40 0 GFABHN COc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c(OC)c1 ZINC000014671955 570894412 /nfs/dbraw/zinc/89/44/12/570894412.db2.gz UALIABQOEVDVNS-GOSISDBHSA-N 0 3 393.443 2.649 40 0 GFABHN CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019502122 570927272 /nfs/dbraw/zinc/92/72/72/570927272.db2.gz GMHZTUATHNAEMF-OALUTQOASA-N 0 3 376.549 2.644 40 0 GFABHN CC1CCN(C(=O)CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)CC1 ZINC000019496708 570990065 /nfs/dbraw/zinc/99/00/65/570990065.db2.gz MBJDTBOURXYOLP-UHFFFAOYSA-N 0 3 395.551 2.615 40 0 GFABHN C[C@@H]1Cc2cc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)ccc2O1 ZINC000019497983 570990464 /nfs/dbraw/zinc/99/04/64/570990464.db2.gz PHSKCVOYJXGFED-OAHLLOKOSA-N 0 3 392.503 2.808 40 0 GFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019499407 570992079 /nfs/dbraw/zinc/99/20/79/570992079.db2.gz SJERYABBIIQIHU-UXHICEINSA-N 0 3 396.491 2.652 40 0 GFABHN CCN(CCN(C)C)C(=O)c1cc(-c2ccncc2)c(N2CCOCC2)s1 ZINC000019526585 570997904 /nfs/dbraw/zinc/99/79/04/570997904.db2.gz LOYHIKDKSINBSU-UHFFFAOYSA-N 0 3 388.537 2.670 40 0 GFABHN COc1ccc2c(c1)C=C(CN1CCc3nc([C@@H]4CCCN4)ncc3C1)CO2 ZINC000019562263 571005835 /nfs/dbraw/zinc/00/58/35/571005835.db2.gz LNMFEQOVCGWJOU-FQEVSTJZSA-N 0 3 378.476 2.744 40 0 GFABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019583224 571014035 /nfs/dbraw/zinc/01/40/35/571014035.db2.gz HLNUJZRIGIXBIY-QGZVFWFLSA-N 0 3 395.482 2.691 40 0 GFABHN CN(C)CCn1nc([C@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 ZINC000019583055 571014236 /nfs/dbraw/zinc/01/42/36/571014236.db2.gz JKEPTJROHNSURG-KRWDZBQOSA-N 0 3 384.528 2.674 40 0 GFABHN COc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)cc1 ZINC000019590669 571018703 /nfs/dbraw/zinc/01/87/03/571018703.db2.gz KKLFLVATJPLTDZ-UHFFFAOYSA-N 0 3 394.519 2.812 40 0 GFABHN O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@H]1c1nnc2n1CCNCC2 ZINC000019710623 571034597 /nfs/dbraw/zinc/03/45/97/571034597.db2.gz TXGIHMWLTJQOHX-INIZCTEOSA-N 0 3 384.871 2.536 40 0 GFABHN CCn1cc(CN2CCC[C@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 ZINC000019711019 571035047 /nfs/dbraw/zinc/03/50/47/571035047.db2.gz MFKQJTZALIJZEK-HNNXBMFYSA-N 0 3 382.487 2.875 40 0 GFABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1ccc(OC)cc1)CC2 ZINC000096051809 571097431 /nfs/dbraw/zinc/09/74/31/571097431.db2.gz STUGPBLRTFENMN-LJQANCHMSA-N 0 3 382.508 2.993 40 0 GFABHN O=c1[nH]c2c(cc1CNCCO)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000012146450 204375402 /nfs/dbraw/zinc/37/54/02/204375402.db2.gz OTYBJVVRTPYYCD-UHFFFAOYSA-N 0 3 378.407 2.602 40 0 GFABHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000066354669 205241089 /nfs/dbraw/zinc/24/10/89/205241089.db2.gz RVEJWGYZBXCGGM-DNVCBOLYSA-N 0 3 393.491 2.707 40 0 GFABHN COCCN1CCC(Cc2nc(C)ncc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000072354981 205332490 /nfs/dbraw/zinc/33/24/90/205332490.db2.gz WRQDZOITVYNLEM-UHFFFAOYSA-N 0 3 398.507 2.947 40 0 GFABHN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 ZINC000225901538 206083892 /nfs/dbraw/zinc/08/38/92/206083892.db2.gz MNZJUSUFFPHZGL-NQIIRXRSSA-N 0 3 394.471 2.866 40 0 GFABHN CNC(=O)[C@@]1(C)CCCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)C1 ZINC000257273941 206171289 /nfs/dbraw/zinc/17/12/89/206171289.db2.gz NIVSEWOTLWYQAP-QHCPKHFHSA-N 0 3 394.519 2.799 40 0 GFABHN Cc1cc(Nc2cc(C3CCN(C(=O)[C@@H](N)CC(C)C)CC3)nc(C)n2)n[nH]1 ZINC000257282166 206171694 /nfs/dbraw/zinc/17/16/94/206171694.db2.gz OSQOOAHSPZUEST-INIZCTEOSA-N 0 3 385.516 2.640 40 0 GFABHN NC[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252516347 553149541 /nfs/dbraw/zinc/14/95/41/553149541.db2.gz SDLAFJXOWAOMLD-BBWFWOEESA-N 0 3 386.300 2.871 40 0 GFABHN CN(C)CCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000329013941 570212156 /nfs/dbraw/zinc/21/21/56/570212156.db2.gz MRXPOKCVVLLBKT-UHFFFAOYSA-N 0 3 383.446 2.851 40 0 GFABHN COc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329018348 570212657 /nfs/dbraw/zinc/21/26/57/570212657.db2.gz NQGAWOMZMXUMRC-UHFFFAOYSA-N 0 3 389.809 2.718 40 0 GFABHN CN(C)C(=O)CN1CCC2(CC1)CN(Cc1ccncc1)Cc1ccccc12 ZINC000096242428 570222713 /nfs/dbraw/zinc/22/27/13/570222713.db2.gz HCGVSKYATYYDAD-UHFFFAOYSA-N 0 3 378.520 2.519 40 0 GFABHN CN(C)c1nc2c(cc1C(=O)NCC1CC1)CCN(Cc1ccccc1)CC2 ZINC000096260363 570225338 /nfs/dbraw/zinc/22/53/38/570225338.db2.gz CJRVUROOTQPMJC-UHFFFAOYSA-N 0 3 378.520 2.888 40 0 GFABHN COc1cc(CN(C)C[C@H](O)COc2ccc(C)cc2C)ccc1OCCO ZINC000585262499 570230581 /nfs/dbraw/zinc/23/05/81/570230581.db2.gz GYWGMHPZQFWVLI-IBGZPJMESA-N 0 3 389.492 2.555 40 0 GFABHN Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616817 570888000 /nfs/dbraw/zinc/88/80/00/570888000.db2.gz OJTCFNLXGGSEHB-OAHLLOKOSA-N 0 3 379.439 2.788 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104567 570933399 /nfs/dbraw/zinc/93/33/99/570933399.db2.gz QJIQCHIWWZSYJA-HMXCVIKNSA-N 0 3 386.536 2.709 40 0 GFABHN COc1cccc(CN2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 ZINC000019018401 570954838 /nfs/dbraw/zinc/95/48/38/570954838.db2.gz KYVUJIKHMRNMBX-GOSISDBHSA-N 0 3 380.492 2.769 40 0 GFABHN Cc1ccc([C@H](CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)N(C)C)cc1 ZINC000019136485 570959017 /nfs/dbraw/zinc/95/90/17/570959017.db2.gz NSSHBEQZWSQENG-KRWDZBQOSA-N 0 3 380.496 2.763 40 0 GFABHN COc1ccc(OC)c([C@@H](O)CN2CCCN(Cc3cccc(C)n3)CC2)c1 ZINC000019236282 570966506 /nfs/dbraw/zinc/96/65/06/570966506.db2.gz LYEKSAWWBONZQX-NRFANRHFSA-N 0 3 385.508 2.649 40 0 GFABHN COCCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000019291385 570972311 /nfs/dbraw/zinc/97/23/11/570972311.db2.gz FYMHMAHDLQNNEE-QIDMFYOTSA-N 0 3 385.508 2.565 40 0 GFABHN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019336668 570976615 /nfs/dbraw/zinc/97/66/15/570976615.db2.gz XWQBINUPYJOEDD-GOSISDBHSA-N 0 3 393.422 2.894 40 0 GFABHN CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019531460 570998812 /nfs/dbraw/zinc/99/88/12/570998812.db2.gz IQPIUYYYEMZBKE-GOSISDBHSA-N 0 3 381.480 2.626 40 0 GFABHN CCOc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)ccc1OC ZINC000019532123 570999344 /nfs/dbraw/zinc/99/93/44/570999344.db2.gz ZIZCOJSYSHHRJK-FDFHNCONSA-N 0 3 396.531 2.956 40 0 GFABHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2ccc(F)cc2F)cc2c1OCO2 ZINC000019549980 571000223 /nfs/dbraw/zinc/00/02/23/571000223.db2.gz KXCDOVKWPOXDAK-BEFAXECRSA-N 0 3 390.386 2.812 40 0 GFABHN CN(C(=O)CCCN1CCCC1=O)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586712 571015756 /nfs/dbraw/zinc/01/57/56/571015756.db2.gz ACVPKEIZXCFUCP-UHFFFAOYSA-N 0 3 399.535 2.711 40 0 GFABHN Cc1ccc2cc(C(=O)N3CCc4nnc([C@@H]5CCCN(C)C5)n4CC3)[nH]c2c1 ZINC000019709259 571033642 /nfs/dbraw/zinc/03/36/42/571033642.db2.gz GJKOMFQYHNGYIM-QGZVFWFLSA-N 0 3 392.507 2.576 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)c2ncc(-c4cnn(C)c4)n2CCN3C)o1 ZINC000096036951 571096563 /nfs/dbraw/zinc/09/65/63/571096563.db2.gz KSNHPZPDJXHXIE-UHFFFAOYSA-N 0 3 380.496 2.622 40 0 GFABHN Cc1nn2c(nnc3c2ccn(CCN(C)C)c3=O)c1-c1ccc(Cl)cc1 ZINC000040395969 205063570 /nfs/dbraw/zinc/06/35/70/205063570.db2.gz GGQOLVIPLPYXSI-UHFFFAOYSA-N 0 3 382.855 2.630 40 0 GFABHN CNc1cc(Nc2nccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)ncn1 ZINC000072377624 205339210 /nfs/dbraw/zinc/33/92/10/205339210.db2.gz QZHRJQBTOHWLQR-MRXNPFEDSA-N 0 3 376.468 2.827 40 0 GFABHN OC1(c2csc(CN3CCOCC3)n2)CCN(CC2CCCCC2)CC1 ZINC000225467767 206051994 /nfs/dbraw/zinc/05/19/94/206051994.db2.gz VHEXFKFGTGYTON-UHFFFAOYSA-N 0 3 379.570 2.839 40 0 biogenic,in-vitro GFABHN O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(CN2CCc3ccccc3C2)CC1 ZINC000257248036 206166910 /nfs/dbraw/zinc/16/69/10/206166910.db2.gz JBTKEMJPTBKULM-DEOSSOPVSA-N 0 3 394.515 2.737 40 0 GFABHN Cc1ncsc1CN1CC2(C1)C[C@H](COc1ncccc1F)CCN2C ZINC000306132278 206201014 /nfs/dbraw/zinc/20/10/14/206201014.db2.gz LDNWWWVHUWUSNC-OAHLLOKOSA-N 0 3 376.501 2.961 40 0 GFABHN Cc1ncsc1CN1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306132734 206201393 /nfs/dbraw/zinc/20/13/93/206201393.db2.gz LQORPFSXRMOYIO-CABCVRRESA-N 0 3 394.504 2.600 40 0 GFABHN CCN(C(=O)[C@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)C1CCN(C)CC1 ZINC000012122399 221154709 /nfs/dbraw/zinc/15/47/09/221154709.db2.gz SJTCBZRVBOIBSN-RBPBXQJFSA-N 0 3 382.504 2.989 40 0 GFABHN O[C@]1(c2ccc(F)cc2)CC[C@@H]2CN(Cc3ccnc(N4CCCC4)n3)C[C@@H]21 ZINC000012124556 221155841 /nfs/dbraw/zinc/15/58/41/221155841.db2.gz BFFLNTCYXPQWCV-BUVFEPMLSA-N 0 3 382.483 2.946 40 0 GFABHN CCNC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(F)cc2)nn1C ZINC000012602119 560091250 /nfs/dbraw/zinc/09/12/50/560091250.db2.gz QQNNHZRNCAOQPF-JQHSSLGASA-N 0 3 385.487 2.723 40 0 biogenic,in-vitro GFABHN CS(=O)(=O)N1CCOC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096080327 570209885 /nfs/dbraw/zinc/20/98/85/570209885.db2.gz JOWMRIYJLZWFNQ-UHFFFAOYSA-N 0 3 376.478 2.567 40 0 GFABHN Cc1ccc(C)c([C@@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)c1 ZINC000019747513 570214041 /nfs/dbraw/zinc/21/40/41/570214041.db2.gz NFQKMWINVAOFOS-NRFANRHFSA-N 0 3 383.536 2.767 40 0 GFABHN CN(C)[C@@H]1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)C1 ZINC000096146342 570214193 /nfs/dbraw/zinc/21/41/93/570214193.db2.gz JXMOGPUZIUQZFT-OAHLLOKOSA-N 0 3 388.475 2.688 40 0 GFABHN COc1ccc(Cl)cc1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329059597 570215605 /nfs/dbraw/zinc/21/56/05/570215605.db2.gz WHZHGGZDNNTWKB-UHFFFAOYSA-N 0 3 398.898 2.762 40 0 GFABHN COc1ccc(-c2ncnc3c2c(C(=O)NCCN(C)C)c2ccccn23)cc1 ZINC000096264353 570227021 /nfs/dbraw/zinc/22/70/21/570227021.db2.gz QUYYWBDZDCBDHS-UHFFFAOYSA-N 0 3 389.459 2.850 40 0 GFABHN COc1cc(COC[C@H](O)CN[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000002686928 570295169 /nfs/dbraw/zinc/29/51/69/570295169.db2.gz WXONXIJDSQKEMJ-CRAIPNDOSA-N 0 3 375.465 2.941 40 0 GFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)COc3ccccc3)cc2)CC1 ZINC000006517662 570482437 /nfs/dbraw/zinc/48/24/37/570482437.db2.gz XCWKPLJKBXZNKL-UHFFFAOYSA-N 0 3 398.532 2.721 40 0 GFABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCC(C)C)cc2c1 ZINC000004133435 570618291 /nfs/dbraw/zinc/61/82/91/570618291.db2.gz UNIWXXQQRPJPTM-UHFFFAOYSA-N 0 3 388.581 2.985 40 0 GFABHN Cc1noc(C)c1CN1CCC[C@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 ZINC000585100710 570925257 /nfs/dbraw/zinc/92/52/57/570925257.db2.gz UKRVQQIEBXUZRS-NRFANRHFSA-N 0 3 390.528 2.507 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218527000 570925341 /nfs/dbraw/zinc/92/53/41/570925341.db2.gz DFNOHQDZDNWXQD-LNLFQRSKSA-N 0 3 393.892 2.788 40 0 GFABHN CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019502124 570927356 /nfs/dbraw/zinc/92/73/56/570927356.db2.gz GMHZTUATHNAEMF-MOPGFXCFSA-N 0 3 376.549 2.644 40 0 GFABHN COc1ccccc1O[C@H](C)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019078995 570955629 /nfs/dbraw/zinc/95/56/29/570955629.db2.gz ISWFOHMFCFPULT-CRAIPNDOSA-N 0 3 396.491 2.652 40 0 GFABHN Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019135920 570958359 /nfs/dbraw/zinc/95/83/59/570958359.db2.gz SCTPXFWAHVPNQQ-WMZOPIPTSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135920 570958362 /nfs/dbraw/zinc/95/83/62/570958362.db2.gz SCTPXFWAHVPNQQ-WMZOPIPTSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc([C@H](C)C(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019135920 570958364 /nfs/dbraw/zinc/95/83/64/570958364.db2.gz SCTPXFWAHVPNQQ-WMZOPIPTSA-N 0 3 394.519 2.576 40 0 GFABHN COc1c(C)cccc1CN1CC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235917 570966051 /nfs/dbraw/zinc/96/60/51/570966051.db2.gz JPEZZPFTMQJJPW-GOSISDBHSA-N 0 3 380.492 2.688 40 0 GFABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019345691 570977647 /nfs/dbraw/zinc/97/76/47/570977647.db2.gz WASVLMXOIAJXGE-OAQYLSRUSA-N 0 3 376.504 2.907 40 0 GFABHN C[C@H](Cc1ccc2c(c1)OCO2)CN(CCN1CCOCC1)Cc1cccnc1 ZINC000019456823 570987300 /nfs/dbraw/zinc/98/73/00/570987300.db2.gz SYDAEWCUVSDSSI-LJQANCHMSA-N 0 3 397.519 2.823 40 0 GFABHN CCOc1cc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC ZINC000019531895 570998991 /nfs/dbraw/zinc/99/89/91/570998991.db2.gz WSFZGMSLSWGTDR-VSOVRNOCSA-N 0 3 385.508 2.947 40 0 GFABHN COc1ccc(CN2CCC(c3cc(C(=O)N[C@@H]4CCCOC4)on3)CC2)cc1 ZINC000019555018 571002903 /nfs/dbraw/zinc/00/29/03/571002903.db2.gz KADOZZNXUMRXBP-GOSISDBHSA-N 0 3 399.491 2.972 40 0 GFABHN COc1ccc(CN2CCC(c3cc(C(=O)N[C@H]4CCCOC4)on3)CC2)cc1 ZINC000019555021 571003062 /nfs/dbraw/zinc/00/30/62/571003062.db2.gz KADOZZNXUMRXBP-SFHVURJKSA-N 0 3 399.491 2.972 40 0 GFABHN CC(=O)N1CCC[C@H](c2nnc3n2CCN(Cc2ccc(C)c(C)c2)CC3)C1 ZINC000019709290 571033801 /nfs/dbraw/zinc/03/38/01/571033801.db2.gz HDDJUNGYZWDZMU-FQEVSTJZSA-N 0 3 381.524 2.679 40 0 GFABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 ZINC000019711007 571034730 /nfs/dbraw/zinc/03/47/30/571034730.db2.gz UTHIOONBXPXGNN-CQSZACIVSA-N 0 3 398.898 2.878 40 0 GFABHN O=C(NC1CC1)[C@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299302 291123357 /nfs/dbraw/zinc/12/33/57/291123357.db2.gz SWJHBZOUQXDTLB-CVAIRZPRSA-N 0 3 397.548 2.559 40 0 biogenic,in-vitro GFABHN CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012188285 204379601 /nfs/dbraw/zinc/37/96/01/204379601.db2.gz INNDTIZDVBKECX-FQEVSTJZSA-N 0 3 396.487 2.619 40 0 GFABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293390 204388759 /nfs/dbraw/zinc/38/87/59/204388759.db2.gz OLURAHSSWPUPKF-RBUKOAKNSA-N 0 3 397.471 2.842 40 0 GFABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293386 204389732 /nfs/dbraw/zinc/38/97/32/204389732.db2.gz OLURAHSSWPUPKF-RTBURBONSA-N 0 3 397.471 2.842 40 0 GFABHN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000038854196 205040620 /nfs/dbraw/zinc/04/06/20/205040620.db2.gz PZEMSYCPGGJHLH-GOSISDBHSA-N 0 3 376.472 2.839 40 0 GFABHN Cn1nnc(-c2ccc(C(=O)N[C@@H](CN3CCCCC3)c3ccccc3)cc2)n1 ZINC000036752519 205022072 /nfs/dbraw/zinc/02/20/72/205022072.db2.gz UUHYDNFVJOLXKK-FQEVSTJZSA-N 0 3 390.491 2.834 40 0 GFABHN CCc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828899 205038353 /nfs/dbraw/zinc/03/83/53/205038353.db2.gz UUSJXHZUJPOHFF-UHFFFAOYSA-N 0 3 396.882 2.884 40 0 GFABHN COc1cccc(CN2C[C@@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000072343004 205329077 /nfs/dbraw/zinc/32/90/77/205329077.db2.gz VAVFHSYGOBHXAC-NBCNXNJRSA-N 0 3 399.491 2.622 40 0 GFABHN NC(=O)c1ccc(Oc2nccnc2C2CCN(C3CCOCC3)CC2)cc1 ZINC000072362867 205335356 /nfs/dbraw/zinc/33/53/56/205335356.db2.gz UGRNHNZYCOVBGW-UHFFFAOYSA-N 0 3 382.464 2.726 40 0 GFABHN CCOc1ccccc1C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2cccnc21 ZINC000072391586 205341852 /nfs/dbraw/zinc/34/18/52/205341852.db2.gz OGFNJZPDBYAECI-MRXNPFEDSA-N 0 3 393.491 2.679 40 0 GFABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cn1 ZINC000225916004 206084402 /nfs/dbraw/zinc/08/44/02/206084402.db2.gz DMJJSOVDXNXYOK-UHFFFAOYSA-N 0 3 377.485 2.674 40 0 GFABHN Cc1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 ZINC000096112814 206118301 /nfs/dbraw/zinc/11/83/01/206118301.db2.gz DCSGQKXMQHRCSA-INIZCTEOSA-N 0 3 385.489 2.609 40 0 biogenic,in-vitro GFABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257239798 206165121 /nfs/dbraw/zinc/16/51/21/206165121.db2.gz HQUYLWTZHFBLHV-HNNXBMFYSA-N 0 3 390.509 2.738 40 0 GFABHN C[NH+](C)C[C@H]1CC[C@]2(COCCN(Cc3ccc([O-])c(C(F)(F)F)c3)C2)O1 ZINC000306123893 206197008 /nfs/dbraw/zinc/19/70/08/206197008.db2.gz AZUUJBBHGHMEAF-QAPCUYQASA-N 0 3 388.430 2.723 40 0 GFABHN O=C(NC1CCCC1)c1nnc2n1CC1(CC2)CCN(Cc2ccccn2)CC1 ZINC000306130327 206199700 /nfs/dbraw/zinc/19/97/00/206199700.db2.gz JCOTZVACDYDDLV-UHFFFAOYSA-N 0 3 394.523 2.574 40 0 GFABHN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000306130012 206199855 /nfs/dbraw/zinc/19/98/55/206199855.db2.gz ITYQRUFEZCBNLH-INIZCTEOSA-N 0 3 381.455 2.950 40 0 GFABHN Cc1ncsc1CN1CC2(C1)C[C@@H](COc1ncccc1F)CCN2C ZINC000306132277 206200543 /nfs/dbraw/zinc/20/05/43/206200543.db2.gz LDNWWWVHUWUSNC-HNNXBMFYSA-N 0 3 376.501 2.961 40 0 GFABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccoc2)CC1 ZINC000306132623 206200913 /nfs/dbraw/zinc/20/09/13/206200913.db2.gz LOAVJFVCXDCNPF-UHFFFAOYSA-N 0 3 385.512 2.876 40 0 GFABHN O=c1c(-c2ccc(F)cc2)nnc2n1CCC21CCN(Cc2cccnc2)CC1 ZINC000306131854 206201169 /nfs/dbraw/zinc/20/11/69/206201169.db2.gz KQYUCHRHEIRBFU-UHFFFAOYSA-N 0 3 391.450 2.777 40 0 GFABHN Cn1nccc1-c1ccc2nnc(C3CCN(Cc4cccs4)CC3)n2n1 ZINC000306137322 206202300 /nfs/dbraw/zinc/20/23/00/206202300.db2.gz QSVZFGYUHLQLBR-UHFFFAOYSA-N 0 3 379.493 2.966 40 0 GFABHN NC[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529856 553053808 /nfs/dbraw/zinc/05/38/08/553053808.db2.gz NSDWPWFPWWQESM-ULQDDVLXSA-N 0 3 386.300 2.871 40 0 GFABHN O=C(NCCSc1nc[nH]n1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225904101 553060819 /nfs/dbraw/zinc/06/08/19/553060819.db2.gz SVRJTQGUSPPBCE-AWEZNQCLSA-N 0 3 379.917 2.579 40 0 GFABHN COC(=O)c1ccc2c(c1)CCN(c1cc(NCCN(C)C)nc(C(C)C)n1)C2 ZINC000329014362 570212498 /nfs/dbraw/zinc/21/24/98/570212498.db2.gz MVDMPUMVBQAVMW-UHFFFAOYSA-N 0 3 397.523 2.923 40 0 GFABHN COc1cc(CN[C@@H]2CCCC[C@H]2C)c(Br)cc1OCC(N)=O ZINC000036612923 570885406 /nfs/dbraw/zinc/88/54/06/570885406.db2.gz NPUKXFKRXBBWAV-BXUZGUMPSA-N 0 3 385.302 2.990 40 0 GFABHN CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(C2CCCC2)CC1 ZINC000019502121 570927332 /nfs/dbraw/zinc/92/73/32/570927332.db2.gz GMHZTUATHNAEMF-RBUKOAKNSA-N 0 3 376.549 2.644 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218564129 570928637 /nfs/dbraw/zinc/92/86/37/570928637.db2.gz ITJLHESTTAYOET-IRFCIJBXSA-N 0 3 387.501 2.697 40 0 GFABHN COc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CN3CC3CCCCC3)C2)c1 ZINC000585107897 570939722 /nfs/dbraw/zinc/93/97/22/570939722.db2.gz CQQMRIZIHURUTE-XLIONFOSSA-N 0 3 378.538 2.970 40 0 GFABHN CC(=O)NCCn1nc([C@@H]2CCN(Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019021819 570955213 /nfs/dbraw/zinc/95/52/13/570955213.db2.gz OTMLXRGAQUSSGA-QGZVFWFLSA-N 0 3 381.455 2.696 40 0 GFABHN CC(=O)OCc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019129286 570958043 /nfs/dbraw/zinc/95/80/43/570958043.db2.gz ZSTMKSHISULAOV-HNNXBMFYSA-N 0 3 383.452 2.656 40 0 GFABHN O=C(CN1CCCCCC1)N[C@H](Cc1cc(=O)[nH]c(C2CC2)n1)c1ccccc1 ZINC000019369268 570980689 /nfs/dbraw/zinc/98/06/89/570980689.db2.gz YJJYNOWKHQQMKG-HXUWFJFHSA-N 0 3 394.519 2.923 40 0 GFABHN O=C([C@@H]1CCN1C1CCCCC1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000019374639 570981584 /nfs/dbraw/zinc/98/15/84/570981584.db2.gz DRKVSIFQKLHCON-IBGZPJMESA-N 0 3 382.508 2.568 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448259 570984339 /nfs/dbraw/zinc/98/43/39/570984339.db2.gz BTSBVYBFTTXSNE-LJQANCHMSA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)[n-]c(=O)c2C1 ZINC000019448259 570984344 /nfs/dbraw/zinc/98/43/44/570984344.db2.gz BTSBVYBFTTXSNE-LJQANCHMSA-N 0 3 398.482 2.582 40 0 GFABHN CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019499444 570992271 /nfs/dbraw/zinc/99/22/71/570992271.db2.gz RDDWIBNAJPGLLH-QZTJIDSGSA-N 0 3 396.491 2.652 40 0 GFABHN CCN(CC)S(=O)(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C ZINC000019526466 570997193 /nfs/dbraw/zinc/99/71/93/570997193.db2.gz MDYBVRSZIQPJJL-VAMGGRTRSA-N 0 3 379.570 2.915 40 0 GFABHN COc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552202 571001403 /nfs/dbraw/zinc/00/14/03/571001403.db2.gz UNWMUYPBVGVDMH-QGZVFWFLSA-N 0 3 392.459 2.839 40 0 GFABHN Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCCC[C@@H]1CCN1CCCC1 ZINC000019577604 571012380 /nfs/dbraw/zinc/01/23/80/571012380.db2.gz BTPVVGWESJLHBQ-OAHLLOKOSA-N 0 3 390.500 2.924 40 0 GFABHN COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1OC ZINC000019590455 571017696 /nfs/dbraw/zinc/01/76/96/571017696.db2.gz HSCHTLIFZBLGOY-HNNXBMFYSA-N 0 3 396.491 2.502 40 0 GFABHN COCCOc1ccc(CN2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019593684 571019852 /nfs/dbraw/zinc/01/98/52/571019852.db2.gz GHCCHZQMFCYIJW-MRXNPFEDSA-N 0 3 381.436 2.541 40 0 GFABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)o3)CC2)O1 ZINC000096036868 571096325 /nfs/dbraw/zinc/09/63/25/571096325.db2.gz LHORDNFFOGMVDS-GOSISDBHSA-N 0 3 386.496 2.543 40 0 GFABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096036859 571096549 /nfs/dbraw/zinc/09/65/49/571096549.db2.gz NUORIVCPNGOENW-KRWDZBQOSA-N 0 3 388.537 2.703 40 0 GFABHN O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(CO)o2)C1 ZINC000020503263 575369841 /nfs/dbraw/zinc/36/98/41/575369841.db2.gz WWPZSEBPQGPVGO-DOTOQJQBSA-N 0 3 377.444 2.615 40 0 biogenic,in-vitro GFABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC)c3)cc2)CC1 ZINC000006517677 204182577 /nfs/dbraw/zinc/18/25/77/204182577.db2.gz OEYDBIZCXZSDTK-UHFFFAOYSA-N 0 3 398.532 2.964 40 0 GFABHN O=C(Nc1nccs1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298442 204270345 /nfs/dbraw/zinc/27/03/45/204270345.db2.gz JOZZIFDQLUCCGP-ZACQAIPSSA-N 0 3 394.504 2.751 40 0 biogenic,in-vitro GFABHN CCN1CCC[C@@H]1CNC(=O)C1CCN(c2nc3ccccc3n2CC)CC1 ZINC000012116398 204372030 /nfs/dbraw/zinc/37/20/30/204372030.db2.gz XLTSBSUEIFNQBU-GOSISDBHSA-N 0 3 383.540 2.873 40 0 GFABHN CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019499445 204646723 /nfs/dbraw/zinc/64/67/23/204646723.db2.gz RDDWIBNAJPGLLH-MSOLQXFVSA-N 0 3 396.491 2.652 40 0 GFABHN COCCN1CCC[C@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257331153 206180179 /nfs/dbraw/zinc/18/01/79/206180179.db2.gz XRPQAISIBXEUIT-IBGZPJMESA-N 0 3 376.526 2.580 40 0 GFABHN O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2cccc(F)c2)C1 ZINC000306124291 206197741 /nfs/dbraw/zinc/19/77/41/206197741.db2.gz BMCOEOCWSLOGLT-QFIPXVFZSA-N 0 3 376.435 2.992 40 0 GFABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306127209 206198861 /nfs/dbraw/zinc/19/88/61/206198861.db2.gz FRTOSPSGMUCZGN-UHFFFAOYSA-N 0 3 397.498 2.786 40 0 GFABHN Fc1ccc(CN2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131809 206201847 /nfs/dbraw/zinc/20/18/47/206201847.db2.gz KQAVRXRYFIRLOA-QGZVFWFLSA-N 0 3 381.455 2.695 40 0 GFABHN C[C@@H](CC[N@@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394676 136169267 /nfs/dbraw/zinc/16/92/67/136169267.db2.gz IRUCFYGRANCSFQ-HKUYNNGSSA-N 0 3 382.508 2.590 40 0 GFABHN C[C@@H](CC[N@H+]1CC[C@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394676 136169268 /nfs/dbraw/zinc/16/92/68/136169268.db2.gz IRUCFYGRANCSFQ-HKUYNNGSSA-N 0 3 382.508 2.590 40 0 GFABHN COc1cccc([C@@H]2c3cc4c(cc3O[C@H](NCCO)[C@H]2C)OCO4)c1OC ZINC000073257551 222268397 /nfs/dbraw/zinc/26/83/97/222268397.db2.gz CKUCWPTUZQKDGP-DKIOLRDMSA-N 0 3 387.432 2.501 40 0 GFABHN c1c(CC2CCCCC2)nnn1[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NCc1ccccc1 ZINC000005410372 560201728 /nfs/dbraw/zinc/20/17/28/560201728.db2.gz GFRVNDBWOSRHOR-FNAHDJPLSA-N 0 3 382.508 2.898 40 0 biogenic,in-vitro GFABHN CN(C)CCNc1nc(Nc2ccc(Br)cc2F)cc(C2CC2)n1 ZINC000329024802 563470778 /nfs/dbraw/zinc/47/07/78/563470778.db2.gz PBHYGEJDFPRMFT-UHFFFAOYSA-N 0 3 394.292 2.817 40 0 GFABHN COc1ccc(-c2ccnc3c(C(=O)N[C@H](C)CN4CCCC4)cnn32)cc1 ZINC000019719011 570210283 /nfs/dbraw/zinc/21/02/83/570210283.db2.gz YUXACBDEWNVFMQ-OAHLLOKOSA-N 0 3 379.464 2.619 40 0 GFABHN CN(C)CCNC(=O)[C@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1 ZINC000096146742 570214118 /nfs/dbraw/zinc/21/41/18/570214118.db2.gz VXWSGPRJGDNTNH-OAHLLOKOSA-N 0 3 376.551 2.691 40 0 GFABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3cccc(F)c3)CC2)O1)N1CCCC1 ZINC000096243695 570223516 /nfs/dbraw/zinc/22/35/16/570223516.db2.gz ULJUWXWYOCGEKJ-LJQANCHMSA-N 0 3 398.482 2.535 40 0 GFABHN COCCOc1cc(CN(C)C[C@H](O)COC2CCCCC2)ccc1OC ZINC000585262510 570230478 /nfs/dbraw/zinc/23/04/78/570230478.db2.gz HJBIKJFSRFNXRK-SFHVURJKSA-N 0 3 381.513 2.862 40 0 GFABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3ccccc3F)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382649 570353786 /nfs/dbraw/zinc/35/37/86/570353786.db2.gz WZGGVPPZVPMQCH-HNBVOPMISA-N 0 3 387.499 2.603 40 0 biogenic,in-vitro GFABHN CCOC(=O)C1C(CN2CCC[C@H](C)C2)=NC(=O)N[C@H]1c1ccccc1OC ZINC000057731188 570371626 /nfs/dbraw/zinc/37/16/26/570371626.db2.gz CFUBRAONLUWDQV-LIRRHRJNSA-N 0 3 387.480 2.598 40 0 GFABHN c1ccc([C@@H](c2nnnn2C[C@@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369608 570925395 /nfs/dbraw/zinc/92/53/95/570925395.db2.gz RCRASJLIYQLENX-SFTDATJTSA-N 0 3 396.539 2.502 40 0 GFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@@H](CN3CCC(O)CC3)C2)CC1 ZINC000585104491 570932963 /nfs/dbraw/zinc/93/29/63/570932963.db2.gz PFNUVTCXBJHFRF-HXUWFJFHSA-N 0 3 386.536 2.717 40 0 GFABHN COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019078794 570955849 /nfs/dbraw/zinc/95/58/49/570955849.db2.gz BJYDGOBOSGTUJJ-QRWLVFNGSA-N 0 3 396.491 2.604 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019210859 570960619 /nfs/dbraw/zinc/96/06/19/570960619.db2.gz PVFLDTCQRHDXHJ-QZTJIDSGSA-N 0 3 394.519 2.946 40 0 GFABHN Cc1nc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@H+]3C)cc(=O)[n-]1 ZINC000019240920 570969319 /nfs/dbraw/zinc/96/93/19/570969319.db2.gz CTHYWGNCPUYKGA-DSKINZAPSA-N 0 3 398.482 2.700 40 0 GFABHN Cc1nc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@@H+]3C)cc(=O)[n-]1 ZINC000019240920 570969321 /nfs/dbraw/zinc/96/93/21/570969321.db2.gz CTHYWGNCPUYKGA-DSKINZAPSA-N 0 3 398.482 2.700 40 0 GFABHN O=C(c1cc(-c2ccccc2F)no1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019368330 570980106 /nfs/dbraw/zinc/98/01/06/570980106.db2.gz SEYKWYVLCVFFMS-KRWDZBQOSA-N 0 3 393.422 2.894 40 0 GFABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc(OC)c1OC ZINC000019549908 571000437 /nfs/dbraw/zinc/00/04/37/571000437.db2.gz GWVPVRAGRRXXMC-JKSBSHDWSA-N 0 3 384.476 2.837 40 0 GFABHN COc1ccc(CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1C ZINC000019571204 571009702 /nfs/dbraw/zinc/00/97/02/571009702.db2.gz RUVYAGHXHSRNNM-UHFFFAOYSA-N 0 3 394.519 2.730 40 0 GFABHN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ncc4c(n3)CCNC4)C1)CCCC2 ZINC000019581228 571013252 /nfs/dbraw/zinc/01/32/52/571013252.db2.gz TWJBWIUNSJGYAK-OAHLLOKOSA-N 0 3 380.492 2.922 40 0 GFABHN CN1CCN(c2cc(C(=O)Nc3ccccc3CN3CCCC3)ccn2)CC1 ZINC000019662566 571026526 /nfs/dbraw/zinc/02/65/26/571026526.db2.gz SSSBTVZMUAPJIL-UHFFFAOYSA-N 0 3 379.508 2.682 40 0 GFABHN CCN(C(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C1CCN(C)CC1 ZINC000019666929 571027930 /nfs/dbraw/zinc/02/79/30/571027930.db2.gz ZGAPMBKHAHOPEV-GOSISDBHSA-N 0 3 396.535 2.502 40 0 GFABHN CN1CCC(c2nnc3n2CCN(C(=O)CCCc2ccc(F)cc2)CC3)CC1 ZINC000019708989 571033278 /nfs/dbraw/zinc/03/32/78/571033278.db2.gz YYPKHDWFYGUREL-UHFFFAOYSA-N 0 3 399.514 2.634 40 0 GFABHN Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@H]3CCCN(C)C3)n2CC1 ZINC000019709254 571033729 /nfs/dbraw/zinc/03/37/29/571033729.db2.gz YUMDQKBIPJBUGP-INIZCTEOSA-N 0 3 393.491 2.840 40 0 GFABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 ZINC000019711111 571035108 /nfs/dbraw/zinc/03/51/08/571035108.db2.gz MPOJNVWXALYWME-QGZVFWFLSA-N 0 3 392.507 2.544 40 0 GFABHN Cc1ccc(CNCC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000035311416 204166067 /nfs/dbraw/zinc/16/60/67/204166067.db2.gz FMTIOGUSBBPSPN-UHFFFAOYSA-N 0 3 383.467 2.645 40 0 GFABHN CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc3c(c2)OCCO3)CC1 ZINC000012188283 204379209 /nfs/dbraw/zinc/37/92/09/204379209.db2.gz INNDTIZDVBKECX-HXUWFJFHSA-N 0 3 396.487 2.619 40 0 GFABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1Cl ZINC000225230346 206041338 /nfs/dbraw/zinc/04/13/38/206041338.db2.gz WVSQHMKKXCBGQJ-UHFFFAOYSA-N 0 3 388.917 2.527 40 0 GFABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145108 206207576 /nfs/dbraw/zinc/20/75/76/206207576.db2.gz ZYKYTVFMTKOQFP-CTNGQTDRSA-N 0 3 383.517 2.750 40 0 GFABHN Cc1ncsc1CN1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306132736 206200290 /nfs/dbraw/zinc/20/02/90/206200290.db2.gz LQORPFSXRMOYIO-HUUCEWRRSA-N 0 3 394.504 2.600 40 0 GFABHN O=c1c(-c2ccc(F)cc2)nnc2n1CCC21CCN(Cc2ccccn2)CC1 ZINC000306132189 206202023 /nfs/dbraw/zinc/20/20/23/206202023.db2.gz LBEPPMSSQDYBDI-UHFFFAOYSA-N 0 3 391.450 2.777 40 0 GFABHN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000073257868 222269269 /nfs/dbraw/zinc/26/92/69/222269269.db2.gz CGPNWVMBMDTTMA-SFTDATJTSA-N 0 3 398.503 2.839 40 0 GFABHN NC[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242575097 553088091 /nfs/dbraw/zinc/08/80/91/553088091.db2.gz NSDWPWFPWWQESM-BBWFWOEESA-N 0 3 386.300 2.871 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243590 570223198 /nfs/dbraw/zinc/22/31/98/570223198.db2.gz GIEHPJHQJNIJBJ-FQEVSTJZSA-N 0 3 394.519 2.608 40 0 GFABHN CNCC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn43)n2)C1 ZINC000585262977 570231680 /nfs/dbraw/zinc/23/16/80/570231680.db2.gz SCMVJKPLLRSWHZ-CQSZACIVSA-N 0 3 383.883 2.975 40 0 GFABHN CN1CCN(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000020460402 570260708 /nfs/dbraw/zinc/26/07/08/570260708.db2.gz YJMYPTYWBSGWTN-UHFFFAOYSA-N 0 3 392.547 2.617 40 0 GFABHN COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000001493089 570264073 /nfs/dbraw/zinc/26/40/73/570264073.db2.gz DGSADVAMZWFCMP-JOKRRQDLSA-N 0 3 381.472 2.505 40 0 GFABHN COC(=O)C[C@]1(C)N[C@H](c2ccc(C)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000216598437 570303512 /nfs/dbraw/zinc/30/35/12/570303512.db2.gz NFQOYGSKVUFULD-URFJDIBFSA-N 0 3 392.455 2.767 40 0 GFABHN COc1ccc(/C=C(/C(=O)NCCCN2CCN(C)CC2)c2ccccc2)cc1 ZINC000022935053 570338372 /nfs/dbraw/zinc/33/83/72/570338372.db2.gz CLJCQQAOLRYJIZ-FCDQGJHFSA-N 0 3 393.531 2.990 40 0 GFABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)COc1ccccc1 ZINC000257243686 570488239 /nfs/dbraw/zinc/48/82/39/570488239.db2.gz IICXXMHWJUPQTL-LJQANCHMSA-N 0 3 381.476 2.871 40 0 GFABHN NC(=O)Cn1cc(CN2CCC(C(=O)N3CCCCCC3)CC2)c2ccccc21 ZINC000012364428 570646564 /nfs/dbraw/zinc/64/65/64/570646564.db2.gz PNFGHBNMMUOUAJ-UHFFFAOYSA-N 0 3 396.535 2.741 40 0 GFABHN Cc1cc(C)n2ncc(CN3C[C@@H]4CC[C@](O)(c5ncccc5C)[C@@H]4C3)c2n1 ZINC000257367380 570914864 /nfs/dbraw/zinc/91/48/64/570914864.db2.gz DWDVNOSIESYJLT-LRXVAGHRSA-N 0 3 377.492 2.779 40 0 GFABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)C1CC(F)C1)CC2 ZINC000585103465 570931938 /nfs/dbraw/zinc/93/19/38/570931938.db2.gz GVNLIOTYWKNFAY-ACBHZAAOSA-N 0 3 375.488 2.659 40 0 GFABHN COc1c(C)cccc1CN1CCC(O)(Cn2cnc3ccccc3c2=O)CC1 ZINC000019235922 570965950 /nfs/dbraw/zinc/96/59/50/570965950.db2.gz LVDJQOLNIXKQPV-UHFFFAOYSA-N 0 3 393.487 2.741 40 0 GFABHN COc1c(C)cccc1CN1CC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235919 570966064 /nfs/dbraw/zinc/96/60/64/570966064.db2.gz JPEZZPFTMQJJPW-SFHVURJKSA-N 0 3 380.492 2.688 40 0 GFABHN COc1ccc([C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285518 570969072 /nfs/dbraw/zinc/96/90/72/570969072.db2.gz GZHKUSHNFCNASF-VQTJNVASSA-N 0 3 376.460 2.865 40 0 GFABHN COc1ccc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1 ZINC000019285518 570969076 /nfs/dbraw/zinc/96/90/76/570969076.db2.gz GZHKUSHNFCNASF-VQTJNVASSA-N 0 3 376.460 2.865 40 0 GFABHN C[C@H]1Cc2cc(C(=O)N3CCc4nc(C5CCN(C)CC5)ncc4C3)ccc2O1 ZINC000019497984 570990584 /nfs/dbraw/zinc/99/05/84/570990584.db2.gz PHSKCVOYJXGFED-HNNXBMFYSA-N 0 3 392.503 2.808 40 0 GFABHN CCc1noc(CC)c1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019521315 570994648 /nfs/dbraw/zinc/99/46/48/570994648.db2.gz HILROKNNGKKZHC-UHFFFAOYSA-N 0 3 383.496 2.597 40 0 GFABHN CCN1CCN(C(=O)CNC)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183599 571000469 /nfs/dbraw/zinc/00/04/69/571000469.db2.gz LXKNURZIWQQPRV-NRFANRHFSA-N 0 3 393.531 2.731 40 0 GFABHN COc1ccc(F)c(CN2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 ZINC000019551433 571000855 /nfs/dbraw/zinc/00/08/55/571000855.db2.gz GERHLSAGDLBMHT-OAHLLOKOSA-N 0 3 380.423 2.969 40 0 GFABHN C=Cn1ncc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019554357 571002426 /nfs/dbraw/zinc/00/24/26/571002426.db2.gz VPAHGOQKBANHBD-KRWDZBQOSA-N 0 3 382.512 2.745 40 0 GFABHN C=Cn1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019554357 571002429 /nfs/dbraw/zinc/00/24/29/571002429.db2.gz VPAHGOQKBANHBD-KRWDZBQOSA-N 0 3 382.512 2.745 40 0 GFABHN COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1Cc1ccccc1 ZINC000019567128 571008545 /nfs/dbraw/zinc/00/85/45/571008545.db2.gz DPBOZEFYYMSDBZ-HSALFYBXSA-N 0 3 382.504 2.566 40 0 GFABHN CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 ZINC000019583235 571014207 /nfs/dbraw/zinc/01/42/07/571014207.db2.gz QGNCICLZFSAQHN-KRWDZBQOSA-N 0 3 395.482 2.691 40 0 GFABHN C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC1 ZINC000019655146 571022789 /nfs/dbraw/zinc/02/27/89/571022789.db2.gz BPBUDVVOQHHNQX-AWEZNQCLSA-N 0 3 384.446 2.917 40 0 GFABHN Cc1c(NC(=O)CN2CCC[C@H](Cc3nc4ccc(F)cc4[nH]3)C2)cnn1C ZINC000019715579 571037425 /nfs/dbraw/zinc/03/74/25/571037425.db2.gz BEZWNEMGPUYTDM-CQSZACIVSA-N 0 3 384.459 2.637 40 0 GFABHN Cn1cc(-c2cnc3n2CCN(C)C32CCN(Cc3cccs3)CC2)cn1 ZINC000096036946 571096457 /nfs/dbraw/zinc/09/64/57/571096457.db2.gz KGNWUGBJQFWLNC-UHFFFAOYSA-N 0 3 382.537 2.782 40 0 GFABHN CN(C)CCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)n1 ZINC000329062738 231047683 /nfs/dbraw/zinc/04/76/83/231047683.db2.gz WYIWPCZXOWDKHJ-UHFFFAOYSA-N 0 3 381.402 2.814 40 0 GFABHN COc1ccc(NC(=O)C2CCC(N3C(=O)C4C5C=CC(C5)C4C3=O)CC2)cc1 ZINC000004543857 204052228 /nfs/dbraw/zinc/05/22/28/204052228.db2.gz YSUCNGMRMPFCKW-OIAKUDKHSA-N 0 3 394.471 3.000 40 0 GFABHN O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000012366328 204399892 /nfs/dbraw/zinc/39/98/92/204399892.db2.gz BBHHPFQEFMGBND-QIDMFYOTSA-N 0 3 383.467 2.818 40 0 GFABHN Cc1cc(C)n(CCNCc2cc3c(C)nn(-c4ccccc4)c3[nH]c2=O)n1 ZINC000012186476 204380260 /nfs/dbraw/zinc/38/02/60/204380260.db2.gz ASMDDOFDXKXLDP-UHFFFAOYSA-N 0 3 376.464 2.625 40 0 GFABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019345629 204637889 /nfs/dbraw/zinc/63/78/89/204637889.db2.gz DTJUQVXIXMAFCX-FQEVSTJZSA-N 0 3 390.531 2.950 40 0 GFABHN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)CC1 ZINC000044786614 205085978 /nfs/dbraw/zinc/08/59/78/205085978.db2.gz PZEMSYCPGGJHLH-SFHVURJKSA-N 0 3 376.472 2.839 40 0 GFABHN Cc1cc(Nc2cc([C@H]3CCCN3C(=O)C3(N)CCCCC3)nc(C)n2)n[nH]1 ZINC000072360848 205333669 /nfs/dbraw/zinc/33/36/69/205333669.db2.gz DRZVAMVFUMSNKQ-MRXNPFEDSA-N 0 3 383.500 2.885 40 0 GFABHN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072374845 205338182 /nfs/dbraw/zinc/33/81/82/205338182.db2.gz CKBTULRNXJXFLD-QGZVFWFLSA-N 0 3 380.496 2.725 40 0 GFABHN O=C(c1cc([C@H]2CCCN(Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380540 205340190 /nfs/dbraw/zinc/34/01/90/205340190.db2.gz BRKRDJGNNGQUJH-INIZCTEOSA-N 0 3 388.899 2.915 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000072390765 205342491 /nfs/dbraw/zinc/34/24/91/205342491.db2.gz RUBDUIZSCNFHGY-OXQOHEQNSA-N 0 3 380.492 2.952 40 0 GFABHN Cc1ccc(C)c(CN2C[C@H]3OC[C@@H](CNC(=O)C4CC(F)(F)C4)[C@H]3C2)c1 ZINC000306138551 206204462 /nfs/dbraw/zinc/20/44/62/206204462.db2.gz SAMJANJDEUKEMS-GUDVDZBRSA-N 0 3 378.463 2.912 40 0 GFABHN Cc1cccc(CN2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)n1 ZINC000306138725 206205504 /nfs/dbraw/zinc/20/55/04/206205504.db2.gz SFUASXMBNIUGOK-IAGOWNOFSA-N 0 3 388.475 2.538 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccccc3F)C[C@H]1C2 ZINC000306134746 206202341 /nfs/dbraw/zinc/20/23/41/206202341.db2.gz NXBRFGVAZMRDIU-IAGOWNOFSA-N 0 3 391.450 2.974 40 0 GFABHN COc1ccc(CN2CCC3(CC2)CN(C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306134869 206203505 /nfs/dbraw/zinc/20/35/05/206203505.db2.gz OAGZKBAWZRCTPK-UHFFFAOYSA-N 0 3 393.491 2.983 40 0 GFABHN NCC1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218472450 553054064 /nfs/dbraw/zinc/05/40/64/553054064.db2.gz CFXYNICRUQHKIL-CVEARBPZSA-N 0 3 385.316 2.837 40 0 GFABHN CN1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000015674160 560230958 /nfs/dbraw/zinc/23/09/58/560230958.db2.gz SNUAVBXZHRIDAQ-CVEARBPZSA-N 0 3 396.413 2.957 40 0 biogenic,in-vitro GFABHN CN(C)CCNc1nccc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329063792 570216036 /nfs/dbraw/zinc/21/60/36/570216036.db2.gz XFBKDQFHUDACKX-UHFFFAOYSA-N 0 3 381.402 2.911 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NC(C)C)Cn2ccnc23)s1 ZINC000096243641 570223133 /nfs/dbraw/zinc/22/31/33/570223133.db2.gz BULGYXQTOJXBRX-QGZVFWFLSA-N 0 3 388.537 2.668 40 0 GFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261790 570454254 /nfs/dbraw/zinc/45/42/54/570454254.db2.gz OMIFSMXLCBXSCY-FFZOFVMBSA-N 0 3 399.564 2.596 40 0 GFABHN Cc1cc(C)n2ncc(CN3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@H]4C3)c2n1 ZINC000072389825 570576574 /nfs/dbraw/zinc/57/65/74/570576574.db2.gz DWDVNOSIESYJLT-JLMWRMLUSA-N 0 3 377.492 2.779 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218563884 570928623 /nfs/dbraw/zinc/92/86/23/570928623.db2.gz ITJLHESTTAYOET-DYXWJJEUSA-N 0 3 387.501 2.697 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598380 570931584 /nfs/dbraw/zinc/93/15/84/570931584.db2.gz NHVPZIMWEBWGRF-WSTZPKSXSA-N 0 3 391.464 2.582 40 0 GFABHN COCC[N@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)C(C)C ZINC000585103446 570932270 /nfs/dbraw/zinc/93/22/70/570932270.db2.gz GKVZKSLAZRZLDP-FQEVSTJZSA-N 0 3 390.524 2.760 40 0 GFABHN COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)C(C)C ZINC000585103446 570932271 /nfs/dbraw/zinc/93/22/71/570932271.db2.gz GKVZKSLAZRZLDP-FQEVSTJZSA-N 0 3 390.524 2.760 40 0 GFABHN Cc1cc(C)n2ncc(CN3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)c2n1 ZINC000019116588 570957090 /nfs/dbraw/zinc/95/70/90/570957090.db2.gz SZLNYVGHGYCJSX-NZQKXSOJSA-N 0 3 389.503 2.984 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448271 570984603 /nfs/dbraw/zinc/98/46/03/570984603.db2.gz LPDRHVHJQOIAIF-LJQANCHMSA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448271 570984604 /nfs/dbraw/zinc/98/46/04/570984604.db2.gz LPDRHVHJQOIAIF-LJQANCHMSA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)c1nnc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)[nH]1 ZINC000019453448 570985950 /nfs/dbraw/zinc/98/59/50/570985950.db2.gz MAMFWMCNNPGSHI-MBOZVWFJSA-N 0 3 385.487 2.699 40 0 GFABHN COc1cc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019453741 570986231 /nfs/dbraw/zinc/98/62/31/570986231.db2.gz XMBHMAJPROHYCF-UHFFFAOYSA-N 0 3 387.480 2.520 40 0 GFABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)c2C1 ZINC000019497125 570989984 /nfs/dbraw/zinc/98/99/84/570989984.db2.gz IDEOWRDIRPUADZ-DYVFJYSZSA-N 0 3 381.480 2.555 40 0 GFABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2cnc(C)nc2C)n1 ZINC000019698345 571031002 /nfs/dbraw/zinc/03/10/02/571031002.db2.gz YBWJMZLPSOQLRT-OAQYLSRUSA-N 0 3 394.523 2.526 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccncc2)n1 ZINC000328955334 571046689 /nfs/dbraw/zinc/04/66/89/571046689.db2.gz ABXGMTHBAKDCDK-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228536 209109732 /nfs/dbraw/zinc/10/97/32/209109732.db2.gz HYARWHHTOPSAAT-LJQANCHMSA-N 0 3 393.487 2.535 40 0 GFABHN Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3ccncc3)CC2)cc1 ZINC000306143832 209107841 /nfs/dbraw/zinc/10/78/41/209107841.db2.gz YNSFIXXYPLUECO-UHFFFAOYSA-N 0 3 387.487 2.946 40 0 GFABHN Cc1c(Br)cccc1Nc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000328994442 206239052 /nfs/dbraw/zinc/23/90/52/206239052.db2.gz JDUVIKYVWCWLPW-UHFFFAOYSA-N 0 3 390.329 2.986 40 0 GFABHN CN(C)CCNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccnc2)n1 ZINC000329008972 206240556 /nfs/dbraw/zinc/24/05/56/206240556.db2.gz LTSMGSFVDSCNOD-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078803 207101122 /nfs/dbraw/zinc/10/11/22/207101122.db2.gz FSUXKVBEFDDMMY-YJBOKZPZSA-N 0 3 396.491 2.604 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 ZINC000019132720 207104343 /nfs/dbraw/zinc/10/43/43/207104343.db2.gz AXCJTLDZKQPVEQ-ROUUACIJSA-N 0 3 394.519 2.913 40 0 GFABHN CC(=O)N1CCc2nc(C3CCN(CCOc4cccc(C)c4)CC3)ncc2C1 ZINC000019235188 207109244 /nfs/dbraw/zinc/10/92/44/207109244.db2.gz RFQXTISZYRNPGS-UHFFFAOYSA-N 0 3 394.519 2.948 40 0 GFABHN O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@@H]3CC[N@H+](Cc4cccs4)C3)nc2C1 ZINC000019343392 207116748 /nfs/dbraw/zinc/11/67/48/207116748.db2.gz FADMKYRVQMEWAR-OAHLLOKOSA-N 0 3 398.532 2.506 40 0 GFABHN O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@@H]3CC[N@@H+](Cc4cccs4)C3)nc2C1 ZINC000019343392 207116752 /nfs/dbraw/zinc/11/67/52/207116752.db2.gz FADMKYRVQMEWAR-OAHLLOKOSA-N 0 3 398.532 2.506 40 0 GFABHN Cc1cnc(-c2nnc([C@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)o2)cn1 ZINC000019239165 207111177 /nfs/dbraw/zinc/11/11/77/207111177.db2.gz JQCRSEQGOGXCMP-KRWDZBQOSA-N 0 3 392.463 2.526 40 0 GFABHN CCCCn1nc(C)c(C[N@@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1C ZINC000019502411 207127411 /nfs/dbraw/zinc/12/74/11/207127411.db2.gz BSHDDLXMOSPVOW-UHFFFAOYSA-N 0 3 398.555 2.584 40 0 GFABHN CCCCn1nc(C)c(C[N@H+]2CCc3nc(N4CCCC4)[n-]c(=O)c3CC2)c1C ZINC000019502411 207127412 /nfs/dbraw/zinc/12/74/12/207127412.db2.gz BSHDDLXMOSPVOW-UHFFFAOYSA-N 0 3 398.555 2.584 40 0 GFABHN Cc1nn([C@H](C)CC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556141 207132967 /nfs/dbraw/zinc/13/29/67/207132967.db2.gz NKJCJEADZXZPHI-BFUOFWGJSA-N 0 3 382.512 2.559 40 0 GFABHN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)CN3CCCC3)cc(C(F)(F)F)c12 ZINC000019695540 207148459 /nfs/dbraw/zinc/14/84/59/207148459.db2.gz MGVOLBZBSYRBOX-CYBMUJFWSA-N 0 3 396.417 2.708 40 0 GFABHN Cc1cccc(OC(C)(C)C(=O)N2CCc3nnc([C@H]4CCCN4)n3CC2)c1C ZINC000019706432 207150029 /nfs/dbraw/zinc/15/00/29/207150029.db2.gz OZRFJQYPNLZBTD-QGZVFWFLSA-N 0 3 397.523 2.562 40 0 GFABHN COc1ccccc1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590396 207141688 /nfs/dbraw/zinc/14/16/88/207141688.db2.gz FNYWZBSMSKOZTQ-GOSISDBHSA-N 0 3 394.519 2.812 40 0 GFABHN COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019590293 207142362 /nfs/dbraw/zinc/14/23/62/207142362.db2.gz BWEZXMVFJAXVPZ-FQEVSTJZSA-N 0 3 380.492 2.769 40 0 GFABHN O=C(NC1CCOCC1)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706076 207150593 /nfs/dbraw/zinc/15/05/93/207150593.db2.gz ZTUTYSXYEMHZPA-GOSISDBHSA-N 0 3 380.492 2.765 40 0 GFABHN Cc1cc(C)nc(N2CCC(CC(=O)N3CCN(C4CCCC4)CC3)CC2)n1 ZINC000019748175 207156740 /nfs/dbraw/zinc/15/67/40/207156740.db2.gz VYJWCQDANWXYDV-UHFFFAOYSA-N 0 3 385.556 2.787 40 0 GFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(C)cc1 ZINC000020636713 207209326 /nfs/dbraw/zinc/20/93/26/207209326.db2.gz PGVANTOMROFXNR-UXHICEINSA-N 0 3 391.471 2.760 40 0 GFABHN O=C(N[C@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373041 208004727 /nfs/dbraw/zinc/00/47/27/208004727.db2.gz KTSMHVQMKCNDOR-FKBYEOEOSA-N 0 3 392.499 2.913 40 0 GFABHN O=S1(=O)NCC2(CCN(Cc3cccs3)CC2)COc2ccccc21 ZINC000096037111 208256336 /nfs/dbraw/zinc/25/63/36/208256336.db2.gz MQKXTBYVIDEKBB-UHFFFAOYSA-N 0 3 378.519 2.701 40 0 GFABHN COc1ccc(CN2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)cc1 ZINC000096059354 208259537 /nfs/dbraw/zinc/25/95/37/208259537.db2.gz UNRMVNXGZRLGGW-UHFFFAOYSA-N 0 3 375.472 2.901 40 0 GFABHN CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccccc2F)CC1 ZINC000306137242 209103281 /nfs/dbraw/zinc/10/32/81/209103281.db2.gz QQGXBCLBFBLNPW-UHFFFAOYSA-N 0 3 385.487 2.784 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccco3)C[C@H]1C2 ZINC000306131086 209098840 /nfs/dbraw/zinc/09/88/40/209098840.db2.gz JWDBWYNCCMBXFT-KGLIPLIRSA-N 0 3 381.411 2.567 40 0 GFABHN COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)nc(C)n1)CC2 ZINC000329004271 533173156 /nfs/dbraw/zinc/17/31/56/533173156.db2.gz KQQQVRAEDGWVOZ-KRWDZBQOSA-N 0 3 386.496 2.794 40 0 GFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccccc1C ZINC000020801245 570281432 /nfs/dbraw/zinc/28/14/32/570281432.db2.gz LLOGGXDSZYYIBL-WOJBJXKFSA-N 0 3 391.471 2.760 40 0 GFABHN O=S(=O)(N[C@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1)C1CC1 ZINC000108526102 570313075 /nfs/dbraw/zinc/31/30/75/570313075.db2.gz XUZVOJLNGQCMJF-INIZCTEOSA-N 0 3 398.956 2.935 40 0 GFABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1c(C)nc(-c2ccccc2)nc1OC ZINC000012239744 570630031 /nfs/dbraw/zinc/63/00/31/570630031.db2.gz ZCKZZJBJEWEMAA-SFHVURJKSA-N 0 3 382.508 2.994 40 0 GFABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc2c(c1)OCCO2 ZINC000012293383 570633796 /nfs/dbraw/zinc/63/37/96/570633796.db2.gz OLURAHSSWPUPKF-MOPGFXCFSA-N 0 3 397.471 2.842 40 0 GFABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cc1 ZINC000012366385 570647278 /nfs/dbraw/zinc/64/72/78/570647278.db2.gz LRIKOAGUWQTDBS-QIDMFYOTSA-N 0 3 383.492 2.509 40 0 GFABHN Cc1ccc(CN2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)s1 ZINC000585095292 570921643 /nfs/dbraw/zinc/92/16/43/570921643.db2.gz NQIVVCOLRYPOPE-QGZVFWFLSA-N 0 3 375.538 2.985 40 0 GFABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119911293 570924672 /nfs/dbraw/zinc/92/46/72/570924672.db2.gz PZCJSJAMALAIBG-NSHDSACASA-N 0 3 377.794 2.898 40 0 GFABHN CC(C)N1C[C@]2(CC1=O)COCCN(Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104953 570934181 /nfs/dbraw/zinc/93/41/81/570934181.db2.gz WMCFPNXXWXNOBH-HXUWFJFHSA-N 0 3 386.521 2.664 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183573 571000532 /nfs/dbraw/zinc/00/05/32/571000532.db2.gz BXEBAFWXIBAZNJ-OAQYLSRUSA-N 0 3 379.504 2.552 40 0 GFABHN O=C(COc1ccccc1)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306143353 209109305 /nfs/dbraw/zinc/10/93/05/209109305.db2.gz XZZJACVFRWWJGY-GMAHTHKFSA-N 0 3 395.503 2.790 40 0 GFABHN O=C1N(CC2CC2)CCO[C@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145109 209108815 /nfs/dbraw/zinc/10/88/15/209108815.db2.gz ZYKYTVFMTKOQFP-FPOVZHCZSA-N 0 3 383.517 2.750 40 0 GFABHN CC[C@H](C)CNC(=O)c1ccc2ncc(N3CCN(CC4CC4)CC3)nc2c1 ZINC000306142655 209107672 /nfs/dbraw/zinc/10/76/72/209107672.db2.gz XFPXTOXPHKVTCI-INIZCTEOSA-N 0 3 381.524 2.938 40 0 GFABHN CN1CCc2nc(C3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)ncc2C1 ZINC000019083596 207103154 /nfs/dbraw/zinc/10/31/54/207103154.db2.gz OMCNJTDLRIJBIF-UHFFFAOYSA-N 0 3 382.512 2.505 40 0 GFABHN Cc1ccnn1CCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019238388 207111417 /nfs/dbraw/zinc/11/14/17/207111417.db2.gz XWGMBZQJLFPVSY-UHFFFAOYSA-N 0 3 382.508 2.904 40 0 GFABHN Cc1nccn1CC1(O)CCN(Cc2cnc(-c3ccccc3C)nc2)CC1 ZINC000019237543 207111879 /nfs/dbraw/zinc/11/18/79/207111879.db2.gz WBRAYYRZNAYXHF-UHFFFAOYSA-N 0 3 377.492 2.984 40 0 GFABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019345627 207116805 /nfs/dbraw/zinc/11/68/05/207116805.db2.gz DTJUQVXIXMAFCX-HXUWFJFHSA-N 0 3 390.531 2.950 40 0 GFABHN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019499413 207124626 /nfs/dbraw/zinc/12/46/26/207124626.db2.gz XLMPTCJXRPZZNA-ROUUACIJSA-N 0 3 384.455 2.783 40 0 GFABHN CCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019503649 207127475 /nfs/dbraw/zinc/12/74/75/207127475.db2.gz NURVOBSOJFYPFL-PMACEKPBSA-N 0 3 393.535 2.819 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019572959 207138161 /nfs/dbraw/zinc/13/81/61/207138161.db2.gz RAUMBXGHZARRDO-MSOLQXFVSA-N 0 3 396.539 2.635 40 0 GFABHN Cc1nn([C@@H](C)CC(=O)N2CCC[C@H]2c2ncc3c(n2)CCNC3)c(C)c1C ZINC000019556143 207132019 /nfs/dbraw/zinc/13/20/19/207132019.db2.gz NKJCJEADZXZPHI-DJJJIMSYSA-N 0 3 382.512 2.559 40 0 GFABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 ZINC000019709293 207150241 /nfs/dbraw/zinc/15/02/41/207150241.db2.gz VPOKULJJXWFTQU-MRXNPFEDSA-N 0 3 379.464 2.532 40 0 GFABHN COC(=O)c1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1 ZINC000019592538 207144535 /nfs/dbraw/zinc/14/45/35/207144535.db2.gz SYFJWWIGAKXOES-UHFFFAOYSA-N 0 3 390.487 2.953 40 0 GFABHN Cc1nccn1C[C@H]1CCCN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000019658009 207144919 /nfs/dbraw/zinc/14/49/19/207144919.db2.gz UECZSHHQJNQWLE-KRWDZBQOSA-N 0 3 380.496 2.737 40 0 GFABHN c1ccc2[nH]c(C[C@@H]3CCCN(Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 ZINC000019657871 207145820 /nfs/dbraw/zinc/14/58/20/207145820.db2.gz RDBMPZKJVUTKEL-KRWDZBQOSA-N 0 3 392.507 2.644 40 0 GFABHN O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019657785 207145849 /nfs/dbraw/zinc/14/58/49/207145849.db2.gz LZFUQKJXQGBODL-CYBMUJFWSA-N 0 3 392.385 2.881 40 0 GFABHN C[C@@H](NC(=O)C1CCN(CCc2ccccn2)CC1)c1ccc2c(c1)OCCO2 ZINC000019654769 207145929 /nfs/dbraw/zinc/14/59/29/207145929.db2.gz PZDXCAIHQZDHRB-QGZVFWFLSA-N 0 3 395.503 2.985 40 0 GFABHN Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCCN(C)C4)n3CC1)CCCC2 ZINC000019709264 207151147 /nfs/dbraw/zinc/15/11/47/207151147.db2.gz YAECNBCJEXHQJC-INIZCTEOSA-N 0 3 397.523 2.566 40 0 GFABHN CN1CCC(c2nnc3n2CCN(C(=O)C(C)(C)c2cccc(F)c2)C3)CC1 ZINC000019711013 207151647 /nfs/dbraw/zinc/15/16/47/207151647.db2.gz CWRCWUPXRYYMHK-UHFFFAOYSA-N 0 3 385.487 2.546 40 0 GFABHN CCn1nc([C@H](C)C(=O)NCC(C)(C)N2CCCCC2)c2ccccc2c1=O ZINC000019716941 207154560 /nfs/dbraw/zinc/15/45/60/207154560.db2.gz YTUMTYITUBODES-INIZCTEOSA-N 0 3 384.524 2.901 40 0 GFABHN Cn1cc(-c2cc(NC[C@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1 ZINC000019718040 207156293 /nfs/dbraw/zinc/15/62/93/207156293.db2.gz HZZDJXRHZYKOKA-GOSISDBHSA-N 0 3 381.459 2.847 40 0 GFABHN COc1cccc(-c2cncc(C3CCN(C(=O)CN4CCCC4)CC3)n2)c1 ZINC000072359675 208003099 /nfs/dbraw/zinc/00/30/99/208003099.db2.gz XBCYZQDCIRCUBU-UHFFFAOYSA-N 0 3 380.492 2.954 40 0 GFABHN CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3ccsc3)CC2)O1 ZINC000096036768 208256934 /nfs/dbraw/zinc/25/69/34/208256934.db2.gz VKOPYHNKXFWKMH-QGZVFWFLSA-N 0 3 388.537 2.607 40 0 GFABHN Cc1cccc(CN2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306138726 209105345 /nfs/dbraw/zinc/10/53/45/209105345.db2.gz SFUASXMBNIUGOK-IRXDYDNUSA-N 0 3 388.475 2.538 40 0 GFABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138124 209103462 /nfs/dbraw/zinc/10/34/62/209103462.db2.gz RPVYTRKQMULVPO-ICSRJNTNSA-N 0 3 392.927 2.710 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@@H]1C2 ZINC000306134747 209101956 /nfs/dbraw/zinc/10/19/56/209101956.db2.gz NXBRFGVAZMRDIU-IRXDYDNUSA-N 0 3 391.450 2.974 40 0 GFABHN CCc1ccc(CN2CCC3(CC2)CN(C(=O)OC)Cc2nnc(C)n23)cc1 ZINC000306134606 209101505 /nfs/dbraw/zinc/10/15/05/209101505.db2.gz NTMKVRZEIGPELV-UHFFFAOYSA-N 0 3 383.496 2.722 40 0 GFABHN CCCN1CCN(CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000257244123 209059551 /nfs/dbraw/zinc/05/95/51/209059551.db2.gz IJYIFPUDXQLDNS-QFIPXVFZSA-N 0 3 393.531 2.942 40 0 GFABHN CC(=O)NC1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)CC1 ZINC000257270406 209064739 /nfs/dbraw/zinc/06/47/39/209064739.db2.gz MUCAGJVZIBZROY-UHFFFAOYSA-N 0 3 380.492 2.551 40 0 GFABHN NCC1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000218472620 553053973 /nfs/dbraw/zinc/05/39/73/553053973.db2.gz CFXYNICRUQHKIL-HZPDHXFCSA-N 0 3 385.316 2.837 40 0 GFABHN Cn1cc(-c2ccc3c(c2)O[C@H]2CN(CC4CCCC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289317 560032964 /nfs/dbraw/zinc/03/29/64/560032964.db2.gz ICAKWACBBLLEKO-CTNGQTDRSA-N 0 3 380.492 2.795 40 0 biogenic,in-vitro GFABHN c1cc(-c2cncnc2)ncc1-c1noc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000049155332 560083944 /nfs/dbraw/zinc/08/39/44/560083944.db2.gz MSUBJKQFIHICGX-SFHVURJKSA-N 0 3 378.436 2.905 40 0 biogenic,in-vitro GFABHN CC(=O)N1CCN(C2CCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284230 570253517 /nfs/dbraw/zinc/25/35/17/570253517.db2.gz VWDRGDOXPCPPSE-OAQYLSRUSA-N 0 3 378.488 2.741 40 0 GFABHN CC1(C)O[C@H]2O[C@H](CNCc3ccc(OCc4ccccc4)cc3)[C@H](O)[C@H]2O1 ZINC000035572449 570554884 /nfs/dbraw/zinc/55/48/84/570554884.db2.gz SOAWGIFISUHRTO-PLACYPQZSA-N 0 3 385.460 2.593 40 0 GFABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)OCCCO3)C1 ZINC000036741285 570569339 /nfs/dbraw/zinc/56/93/39/570569339.db2.gz FQQOAKRNTCAAEB-CVDCTZTESA-N 0 3 399.487 2.874 40 0 GFABHN Cn1nnc(-c2ccc(C(=O)N[C@H](CN3CCCCC3)c3ccccc3)cc2)n1 ZINC000036752522 570569693 /nfs/dbraw/zinc/56/96/93/570569693.db2.gz UUHYDNFVJOLXKK-HXUWFJFHSA-N 0 3 390.491 2.834 40 0 GFABHN COCCN1C(=O)C(CC(=O)Nc2ccccc2F)n2c3ccccc3nc21 ZINC000039963964 570594733 /nfs/dbraw/zinc/59/47/33/570594733.db2.gz KXFCXMHPECMEEQ-QGZVFWFLSA-N 0 3 382.395 2.738 40 0 GFABHN C[C@@H](O)CNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186511 570620897 /nfs/dbraw/zinc/62/08/97/570620897.db2.gz SKEDBJSPZRKUAM-CQSZACIVSA-N 0 3 392.434 2.990 40 0 GFABHN O=C1CCCN1c1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012327634 570643733 /nfs/dbraw/zinc/64/37/33/570643733.db2.gz JWFBNGAGEKTXOP-OAQYLSRUSA-N 0 3 398.478 2.970 40 0 GFABHN O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000260913063 570713689 /nfs/dbraw/zinc/71/36/89/570713689.db2.gz ZVLSTRCBPUVZAW-HKUYNNGSSA-N 0 3 384.451 2.994 40 0 GFABHN CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(O)cc1 ZINC000008373813 570924671 /nfs/dbraw/zinc/92/46/71/570924671.db2.gz WHUXLOHNPIBBOP-IBGZPJMESA-N 0 3 378.428 2.996 40 0 GFABHN O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CCN3C[C@@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102254 570930093 /nfs/dbraw/zinc/93/00/93/570930093.db2.gz VNFNPYTTZNSPTE-NZQKXSOJSA-N 0 3 397.519 2.895 40 0 GFABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145110 209108972 /nfs/dbraw/zinc/10/89/72/209108972.db2.gz ZYKYTVFMTKOQFP-PZJWPPBQSA-N 0 3 383.517 2.750 40 0 GFABHN O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CCN(Cc2ccc(F)cc2)C1 ZINC000306143044 209108303 /nfs/dbraw/zinc/10/83/03/209108303.db2.gz XRQDSHJYXQDXNT-JOCHJYFZSA-N 0 3 376.435 2.992 40 0 GFABHN CN(C)CCNc1nc(NCc2ccccc2Cl)cc(-c2cccnc2)n1 ZINC000329072494 206244636 /nfs/dbraw/zinc/24/46/36/206244636.db2.gz ZYQZKMPCYPCHHI-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN CSc1cccc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)c1 ZINC000329032882 206241955 /nfs/dbraw/zinc/24/19/55/206241955.db2.gz QQYGJBNYQKYMJG-UHFFFAOYSA-N 0 3 380.521 2.821 40 0 GFABHN CN1CN(c2ccccc2)C2(CCN(CCC3Oc4ccccc4O3)CC2)C1=O ZINC000001668980 206388126 /nfs/dbraw/zinc/38/81/26/206388126.db2.gz HZFXAHWXSCQDKG-UHFFFAOYSA-N 0 3 393.487 2.945 40 0 GFABHN COc1cc(CN[C@H]2CCCC[C@@H]2C)c(Br)cc1OCC(N)=O ZINC000036612922 207047975 /nfs/dbraw/zinc/04/79/75/207047975.db2.gz NPUKXFKRXBBWAV-FZMZJTMJSA-N 0 3 385.302 2.990 40 0 GFABHN N=C1NC2=C(CN(c3ccc(Br)cc3)C2=O)[C@H](c2ccccc2)N1 ZINC000016954573 207080702 /nfs/dbraw/zinc/08/07/02/207080702.db2.gz GDEXKWLYGFZBDC-HNNXBMFYSA-N 0 3 383.249 2.709 40 0 GFABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078776 207101391 /nfs/dbraw/zinc/10/13/91/207101391.db2.gz YJCLPKUGIOVFLJ-IFXJQAMLSA-N 0 3 384.455 2.735 40 0 GFABHN O=C(c1cc(-c2ccc(F)cc2)no1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019336678 207116422 /nfs/dbraw/zinc/11/64/22/207116422.db2.gz QIDBSOATDLKXAA-KRWDZBQOSA-N 0 3 393.422 2.894 40 0 GFABHN C[C@@H](Cc1cc(=O)[n-]c(NC2CC[NH+](Cc3ccccc3)CC2)n1)n1cccn1 ZINC000019456747 207123857 /nfs/dbraw/zinc/12/38/57/207123857.db2.gz QXRVSMHSMKQKBB-KRWDZBQOSA-N 0 3 392.507 2.847 40 0 GFABHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019499438 207126003 /nfs/dbraw/zinc/12/60/03/207126003.db2.gz UCKNEPMFCDSGBT-ZWKOTPCHSA-N 0 3 384.455 2.783 40 0 GFABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccccc3F)C2)c2cccnc21 ZINC000019583232 207139640 /nfs/dbraw/zinc/13/96/40/207139640.db2.gz QGNCICLZFSAQHN-QGZVFWFLSA-N 0 3 395.482 2.691 40 0 GFABHN COc1ccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019555152 207133242 /nfs/dbraw/zinc/13/32/42/207133242.db2.gz VCSWDTDOUOQIFC-QGZVFWFLSA-N 0 3 399.491 2.660 40 0 GFABHN CC[C@@H](C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1)N1CCCC1 ZINC000019708376 207150399 /nfs/dbraw/zinc/15/03/99/207150399.db2.gz FTFQMZGSYXSPSS-NRFANRHFSA-N 0 3 398.551 2.802 40 0 GFABHN COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1F ZINC000019590414 207140892 /nfs/dbraw/zinc/14/08/92/207140892.db2.gz VVSMSEBAEVZHPD-MRXNPFEDSA-N 0 3 398.482 2.561 40 0 GFABHN CNc1nc([C@H]2CCCN(CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711511 207151780 /nfs/dbraw/zinc/15/17/80/207151780.db2.gz DFVASYJEQXXESM-IBGZPJMESA-N 0 3 393.535 2.845 40 0 GFABHN O=C(Cc1ccccc1)N1CCC(CC(=O)N2CCN(C3CCCC3)CC2)CC1 ZINC000019748176 207158436 /nfs/dbraw/zinc/15/84/36/207158436.db2.gz GXJFTBFIOUPJMF-UHFFFAOYSA-N 0 3 397.563 2.945 40 0 GFABHN O=C(NCCCN1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000029840193 207367276 /nfs/dbraw/zinc/36/72/76/207367276.db2.gz GCNGYISAZCXADZ-UHFFFAOYSA-N 0 3 377.488 2.992 40 0 GFABHN CCN(CC)C(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096036860 208255576 /nfs/dbraw/zinc/25/55/76/208255576.db2.gz NUORIVCPNGOENW-QGZVFWFLSA-N 0 3 388.537 2.703 40 0 GFABHN Cn1cc(-c2cnc3n2CCN(C)C32CCN(Cc3ccc(F)cc3)CC2)cn1 ZINC000096036953 208256684 /nfs/dbraw/zinc/25/66/84/208256684.db2.gz UYLVIBOHBZMSEA-UHFFFAOYSA-N 0 3 394.498 2.859 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)NC(C)C)Cn2ccnc23)s1 ZINC000096243642 208293838 /nfs/dbraw/zinc/29/38/38/208293838.db2.gz BULGYXQTOJXBRX-KRWDZBQOSA-N 0 3 388.537 2.668 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1C[C@H]1CN(Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306140321 209105526 /nfs/dbraw/zinc/10/55/26/209105526.db2.gz UPRKFLVGQDOYPL-HUUCEWRRSA-N 0 3 385.899 2.518 40 0 GFABHN O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2cccs2)CC1 ZINC000306130679 209100279 /nfs/dbraw/zinc/10/02/79/209100279.db2.gz JMUIZXGACZHUMB-UHFFFAOYSA-N 0 3 385.537 2.708 40 0 GFABHN COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNCc2ccc(F)c(F)c2)COC1 ZINC000096112744 209008613 /nfs/dbraw/zinc/00/86/13/209008613.db2.gz VYJMOPCOXKJERP-AWEZNQCLSA-N 0 3 387.386 2.962 40 0 biogenic,in-vitro GFABHN CC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(OC)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257206127 209055467 /nfs/dbraw/zinc/05/54/67/209055467.db2.gz BBYYSLGYQMQCHN-YDQVPQBGSA-N 0 3 388.508 2.898 40 0 GFABHN CC(C)Oc1ccc(CN2CCC[C@@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257246487 209059251 /nfs/dbraw/zinc/05/92/51/209059251.db2.gz IUHNSSAYCMUEEV-NRFANRHFSA-N 0 3 383.496 2.788 40 0 GFABHN C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(=O)[n-]c(-c3ccccc3)n1)C2 ZINC000257262586 209061320 /nfs/dbraw/zinc/06/13/20/209061320.db2.gz LLZYDZZOTNLAOO-FCQWJQKHSA-N 0 3 378.476 2.937 40 0 GFABHN C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(=O)[n-]c(-c3ccccc3)n1)C2 ZINC000257262586 209061323 /nfs/dbraw/zinc/06/13/23/209061323.db2.gz LLZYDZZOTNLAOO-FCQWJQKHSA-N 0 3 378.476 2.937 40 0 GFABHN Cc1ccc(CN2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)o1 ZINC000096038295 136183424 /nfs/dbraw/zinc/18/34/24/136183424.db2.gz ZBSQMGKWRZZNGT-UHFFFAOYSA-N 0 3 381.480 2.847 40 0 GFABHN CC[C@@H](C)n1ncn(-c2cc(-c3ccc(O)cc3)ccc2N2CCNCC2)c1=O ZINC000098177456 136188997 /nfs/dbraw/zinc/18/89/97/136188997.db2.gz QMHXFKJFFPQUQV-MRXNPFEDSA-N 0 3 393.491 2.787 40 0 GFABHN COc1ccc(CN2CCC(CNc3c4c(nc5ncnn53)CCC4)CC2)cc1 ZINC000072346358 222233773 /nfs/dbraw/zinc/23/37/73/222233773.db2.gz NGOXXSOYOGOCKC-UHFFFAOYSA-N 0 3 392.507 2.946 40 0 GFABHN CN1CC[C@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 ZINC000072391676 222248723 /nfs/dbraw/zinc/24/87/23/222248723.db2.gz PXEMKAYINYRYOD-KRWDZBQOSA-N 0 3 384.528 2.722 40 0 GFABHN O=C(NCCSc1nc[nH]n1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225904083 553060753 /nfs/dbraw/zinc/06/07/53/553060753.db2.gz SVRJTQGUSPPBCE-CQSZACIVSA-N 0 3 379.917 2.579 40 0 GFABHN CC(=O)N[C@]12CN(C(=O)c3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1CCN(C)C2 ZINC000585261221 570227867 /nfs/dbraw/zinc/22/78/67/570227867.db2.gz NVDDPGMBDIKINX-MQSCRBSSSA-N 0 3 395.478 2.849 40 0 GFABHN CN(C)CCOc1ccc(C(=O)N2CC[C@](C)(O)[C@@H](Oc3ccccc3)C2)cc1 ZINC000585262248 570229972 /nfs/dbraw/zinc/22/99/72/570229972.db2.gz WNTOIKNHDKQZSS-GMAHTHKFSA-N 0 3 398.503 2.672 40 0 GFABHN Cc1cnc(Nc2cc(C)nc(C3CCN(C(=O)[C@@H](N)C(C)C)CC3)n2)s1 ZINC000585263598 570231823 /nfs/dbraw/zinc/23/18/23/570231823.db2.gz RMRGJDZGBGYAEQ-INIZCTEOSA-N 0 3 388.541 2.983 40 0 GFABHN Cc1c(F)cccc1CN1CCC2(CC1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108534765 570313079 /nfs/dbraw/zinc/31/30/79/570313079.db2.gz YHZGXJYLPOLFTK-QGZVFWFLSA-N 0 3 396.528 2.730 40 0 GFABHN CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCN(C2CCCCC2)CC1 ZINC000022584594 570348403 /nfs/dbraw/zinc/34/84/03/570348403.db2.gz DYPHMVSEMUELLT-IBGZPJMESA-N 0 3 383.544 2.863 40 0 GFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccc(Cl)cc2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382152 570353249 /nfs/dbraw/zinc/35/32/49/570353249.db2.gz HVCGTDMXMKDEAB-UAFMIMERSA-N 0 3 387.911 2.698 40 0 biogenic,in-vitro GFABHN Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3cccc(Cl)c3)n2n1 ZINC000040398348 570602038 /nfs/dbraw/zinc/60/20/38/570602038.db2.gz SIZBCHOIPXLDSN-UHFFFAOYSA-N 0 3 382.855 2.630 40 0 GFABHN CC(C)n1c2ccc(S(=O)(=O)NCCCN3CCCCC3)cc2sc1=O ZINC000225710044 570607072 /nfs/dbraw/zinc/60/70/72/570607072.db2.gz DLEGMEIJPLYYAU-UHFFFAOYSA-N 0 3 397.566 2.798 40 0 GFABHN COC(=O)C1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000044914562 570642971 /nfs/dbraw/zinc/64/29/71/570642971.db2.gz QYNRKTDUNSZQSK-QGZVFWFLSA-N 0 3 378.900 2.964 40 0 GFABHN CCCN1C[C@H](NC(=O)c2c(Cl)cnn2C)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364787 570646685 /nfs/dbraw/zinc/64/66/85/570646685.db2.gz ISUUVUAIMXSPEL-WBVHZDCISA-N 0 3 376.888 2.690 40 0 GFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585104138 570930041 /nfs/dbraw/zinc/93/00/41/570930041.db2.gz LUMSSBWHAVZRPK-WOJBJXKFSA-N 0 3 386.536 2.717 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@@H](O)C4)C3)CC2)cc1F ZINC000585103027 570931697 /nfs/dbraw/zinc/93/16/97/570931697.db2.gz BHGBGFTZRMXRGX-RTBURBONSA-N 0 3 390.499 2.602 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183614 571000690 /nfs/dbraw/zinc/00/06/90/571000690.db2.gz NOGDNNDHEHPHPF-LJQANCHMSA-N 0 3 397.494 2.691 40 0 GFABHN CCc1cccc(C)c1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329027128 206240717 /nfs/dbraw/zinc/24/07/17/206240717.db2.gz PRCBNOVVIHUPNZ-UHFFFAOYSA-N 0 3 376.508 2.970 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(C(F)(F)F)n1 ZINC000329050872 206242455 /nfs/dbraw/zinc/24/24/55/206242455.db2.gz UVNGJYMQESTNGK-UHFFFAOYSA-N 0 3 377.773 2.849 40 0 GFABHN CN(C)CCNc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)n1 ZINC000329058276 206242543 /nfs/dbraw/zinc/24/25/43/206242543.db2.gz WBMWXMDQFYSKQX-UHFFFAOYSA-N 0 3 381.402 2.814 40 0 GFABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140243 209106755 /nfs/dbraw/zinc/10/67/55/209106755.db2.gz UNVDHILINJPFTH-CTNGQTDRSA-N 0 3 383.517 2.750 40 0 GFABHN COc1cc(CN[C@@H]2CCCC[C@@H]2C)c(Br)cc1OCC(N)=O ZINC000036612924 207048143 /nfs/dbraw/zinc/04/81/43/207048143.db2.gz NPUKXFKRXBBWAV-SMDDNHRTSA-N 0 3 385.302 2.990 40 0 GFABHN Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616818 207050182 /nfs/dbraw/zinc/05/01/82/207050182.db2.gz OJTCFNLXGGSEHB-HNNXBMFYSA-N 0 3 379.439 2.788 40 0 GFABHN O=c1ccc(-c2cccs2)nn1CC1(O)CCN(Cc2ccccc2)CC1 ZINC000019371807 207120065 /nfs/dbraw/zinc/12/00/65/207120065.db2.gz IZJYKLHSLMINMS-UHFFFAOYSA-N 0 3 381.501 2.999 40 0 GFABHN C[C@@H]1Cc2cc(CCC(=O)N3CCc4nc([C@@H]5CCCN5)ncc4C3)ccc2O1 ZINC000019498127 207125458 /nfs/dbraw/zinc/12/54/58/207125458.db2.gz IILXNRFTHARSIB-QRWLVFNGSA-N 0 3 392.503 2.742 40 0 GFABHN COc1ccc(OC)c(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019551444 207132835 /nfs/dbraw/zinc/13/28/35/207132835.db2.gz MESQWJMDPUOWOV-INIZCTEOSA-N 0 3 392.459 2.839 40 0 GFABHN COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 ZINC000019552351 207133186 /nfs/dbraw/zinc/13/31/86/207133186.db2.gz VYGBZDQBRCOQDH-MRXNPFEDSA-N 0 3 394.479 2.665 40 0 GFABHN Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)n2)o1 ZINC000019698319 207147932 /nfs/dbraw/zinc/14/79/32/207147932.db2.gz NUTGYNWMGSJTSF-IBGZPJMESA-N 0 3 383.496 2.724 40 0 GFABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CCCN1CCCC1=O ZINC000019589212 207140809 /nfs/dbraw/zinc/14/08/09/207140809.db2.gz GNTIVKJSXMGBLO-WOIUINJBSA-N 0 3 387.499 2.617 40 0 GFABHN CN1CCc2nc([C@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 ZINC000019590511 207141672 /nfs/dbraw/zinc/14/16/72/207141672.db2.gz BMMVTEYVDHJAMA-HXUWFJFHSA-N 0 3 390.491 2.568 40 0 GFABHN O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCC[C@@H]1c1nnc2n1CCNCC2 ZINC000019710622 207151494 /nfs/dbraw/zinc/15/14/94/207151494.db2.gz TXGIHMWLTJQOHX-MRXNPFEDSA-N 0 3 384.871 2.536 40 0 GFABHN COc1ccccc1-c1ccccc1CN1CCC2(CC1)NC(=O)N(C)C2=O ZINC000019714571 207152593 /nfs/dbraw/zinc/15/25/93/207152593.db2.gz IFYBAOMKDOZXRO-UHFFFAOYSA-N 0 3 379.460 2.878 40 0 GFABHN c1nc2nc(COc3ccccc3-c3ccccc3)cc(N3CCNCC3)n2n1 ZINC000019927112 207170600 /nfs/dbraw/zinc/17/06/00/207170600.db2.gz GRGOWNGCJVOTMG-UHFFFAOYSA-N 0 3 386.459 2.780 40 0 GFABHN CN(C)CCNC(=O)[C@@H]1Cc2nc(-c3ccsc3)sc2N1CC1CC1 ZINC000096146741 208275030 /nfs/dbraw/zinc/27/50/30/208275030.db2.gz VXWSGPRJGDNTNH-HNNXBMFYSA-N 0 3 376.551 2.691 40 0 GFABHN Cn1cc(-c2cnc3n2CCN(C)C32CCN(Cc3ccsc3)CC2)cn1 ZINC000096036948 208255473 /nfs/dbraw/zinc/25/54/73/208255473.db2.gz IOIXXRCBUDTAOO-UHFFFAOYSA-N 0 3 382.537 2.782 40 0 GFABHN Cc1ncsc1CN1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306132737 209101949 /nfs/dbraw/zinc/10/19/49/209101949.db2.gz LQORPFSXRMOYIO-LSDHHAIUSA-N 0 3 394.504 2.600 40 0 GFABHN COc1cccc(OC)c1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257217001 209058244 /nfs/dbraw/zinc/05/82/44/209058244.db2.gz CXBKMDLFZKBCNW-TUXJCPBXSA-N 0 3 388.508 2.946 40 0 GFABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)c1 ZINC000257243895 209059085 /nfs/dbraw/zinc/05/90/85/209059085.db2.gz IJAQERWYXCUKJQ-HNNXBMFYSA-N 0 3 390.509 2.738 40 0 GFABHN O=C(CC1(O)CCCCC1)N1CCC[C@](O)(CN2CCC(F)(F)CC2)CC1 ZINC000257315359 209075320 /nfs/dbraw/zinc/07/53/20/209075320.db2.gz VAZFOUFSEGHKAS-LJQANCHMSA-N 0 3 388.499 2.546 40 0 GFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccccn3)C2)cc1 ZINC000072345981 222233400 /nfs/dbraw/zinc/23/34/00/222233400.db2.gz UMZOYTIWHZKSBE-QGZVFWFLSA-N 0 3 388.475 2.599 40 0 GFABHN COc1ccc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000013562993 537034940 /nfs/dbraw/zinc/03/49/40/537034940.db2.gz FWRFXGJKHKHHCR-UHFFFAOYSA-N 0 3 378.476 2.901 40 0 GFABHN CN(Cc1ccc(OCCF)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585269599 570237467 /nfs/dbraw/zinc/23/74/67/570237467.db2.gz ALXIQMVVPBITKH-FQEVSTJZSA-N 0 3 377.435 2.642 40 0 GFABHN CCOCCOc1ccc(CN2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000585270291 570239409 /nfs/dbraw/zinc/23/94/09/570239409.db2.gz SWNOMQMBBSDXHO-FQEVSTJZSA-N 0 3 398.494 2.770 40 0 GFABHN CN(C)CCN(C)C(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)c1ccccc1 ZINC000211527544 570275932 /nfs/dbraw/zinc/27/59/32/570275932.db2.gz AKDHAZXCYHDABN-RCCKNPSSSA-N 0 3 390.487 2.959 40 0 GFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2ccccc2Cl)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382101 570353003 /nfs/dbraw/zinc/35/30/03/570353003.db2.gz DLDNZRQBZHTLKQ-HNBVOPMISA-N 0 3 387.911 2.698 40 0 biogenic,in-vitro GFABHN CC(C)(C)c1nccc(C[C@H]2[C@H](NCc3cccc(F)c3)C[C@@H](O)[C@@H]2CO)n1 ZINC000604382092 570353092 /nfs/dbraw/zinc/35/30/92/570353092.db2.gz DCRZKRQXMFESSO-UAFMIMERSA-N 0 3 387.499 2.603 40 0 biogenic,in-vitro GFABHN COc1ccc2c3c1O[C@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000005712635 570452548 /nfs/dbraw/zinc/45/25/48/570452548.db2.gz DGSADVAMZWFCMP-KOCOEAGCSA-N 0 3 381.472 2.505 40 0 GFABHN Cc1cc(C)n2ncc(CN3C[C@@H]4CC[C@](O)(c5ncccc5C)[C@H]4C3)c2n1 ZINC000072389826 570576471 /nfs/dbraw/zinc/57/64/71/570576471.db2.gz DWDVNOSIESYJLT-LQBOVUBWSA-N 0 3 377.492 2.779 40 0 GFABHN COc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1OC ZINC000012327778 570643792 /nfs/dbraw/zinc/64/37/92/570643792.db2.gz SZFZTOQXZOGUSL-SFHVURJKSA-N 0 3 375.440 2.860 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1OC ZINC000257228264 570764452 /nfs/dbraw/zinc/76/44/52/570764452.db2.gz FTEZYUVDFUFHQM-NQIIRXRSSA-N 0 3 387.524 2.597 40 0 GFABHN CN(C)CCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 ZINC000013669937 570770316 /nfs/dbraw/zinc/77/03/16/570770316.db2.gz KTFXJWVYMDIROI-NRFANRHFSA-N 0 3 383.517 2.752 40 0 GFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@@H](CN3CCC[C@H](O)C3)C2)CC1 ZINC000585104137 570930176 /nfs/dbraw/zinc/93/01/76/570930176.db2.gz LUMSSBWHAVZRPK-VQTJNVASSA-N 0 3 386.536 2.717 40 0 GFABHN CCN1CCN(CCC(N)=O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172744 570997628 /nfs/dbraw/zinc/99/76/28/570997628.db2.gz DGSUSZFUKKEHLZ-NRFANRHFSA-N 0 3 393.531 2.860 40 0 GFABHN CC(C)(C)c1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccc(F)cc2)nn1 ZINC000008298715 291119213 /nfs/dbraw/zinc/11/92/13/291119213.db2.gz NYGLZCNUURQCNN-UHOSZYNNSA-N 0 3 399.514 2.742 40 0 biogenic,in-vitro GFABHN COc1ccc(CNCCn2nc([C@H]3CCN(C(C)=O)C3)c3cccnc32)cc1 ZINC000019016576 207099813 /nfs/dbraw/zinc/09/98/13/207099813.db2.gz BGGXWPOLHRNFLL-SFHVURJKSA-N 0 3 393.491 2.566 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)c(C)c1 ZINC000019132707 207104365 /nfs/dbraw/zinc/10/43/65/207104365.db2.gz AXCJTLDZKQPVEQ-QZTJIDSGSA-N 0 3 394.519 2.913 40 0 GFABHN CC1CCN(CCNC(=O)c2cc(C3CCOCC3)c3cnccc3n2)CC1 ZINC000019496909 207125274 /nfs/dbraw/zinc/12/52/74/207125274.db2.gz IIEAXCZYWNEXKA-UHFFFAOYSA-N 0 3 382.508 2.986 40 0 GFABHN COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)cc1C ZINC000019571113 207136796 /nfs/dbraw/zinc/13/67/96/207136796.db2.gz HFJIZPQZQXXZQO-SFHVURJKSA-N 0 3 394.519 2.730 40 0 GFABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019575355 207138048 /nfs/dbraw/zinc/13/80/48/207138048.db2.gz XHCALFYQEZPZDG-YZGWKJHDSA-N 0 3 376.504 2.724 40 0 GFABHN COCc1ccc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 ZINC000019588320 207139759 /nfs/dbraw/zinc/13/97/59/207139759.db2.gz PXYIPCUILRAJMJ-UHFFFAOYSA-N 0 3 380.492 2.631 40 0 GFABHN C[C@H](CN1CCCC1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019661372 207147425 /nfs/dbraw/zinc/14/74/25/207147425.db2.gz SKJHQJVJTLSLSD-CQSZACIVSA-N 0 3 384.446 2.917 40 0 GFABHN CN1CCc2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)ncc2C1 ZINC000019590671 207141000 /nfs/dbraw/zinc/14/10/00/207141000.db2.gz OAQIBBNPHSACCQ-UHFFFAOYSA-N 0 3 382.483 2.942 40 0 GFABHN COc1ccc(CN2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1OC ZINC000019588674 207142154 /nfs/dbraw/zinc/14/21/54/207142154.db2.gz WXQCPDGJSUVQJL-QGZVFWFLSA-N 0 3 382.508 2.861 40 0 GFABHN O=C(NC1CCOCC1)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706077 207150305 /nfs/dbraw/zinc/15/03/05/207150305.db2.gz ZTUTYSXYEMHZPA-SFHVURJKSA-N 0 3 380.492 2.765 40 0 GFABHN Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@H]4CCCN(C)C4)C3)cc21 ZINC000019711001 207152495 /nfs/dbraw/zinc/15/24/95/207152495.db2.gz SFJAWUVUXAUEDZ-HNNXBMFYSA-N 0 3 378.480 2.533 40 0 GFABHN c1ccc(N2CCCCC2)c(CN2CCC[C@@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711054 207152633 /nfs/dbraw/zinc/15/26/33/207152633.db2.gz HMGFCMBLJKWMEQ-LJQANCHMSA-N 0 3 380.540 2.751 40 0 GFABHN O=C(N1CCC[C@H]1c1nnc2n1CCNCC2)C1(c2ccccc2F)CCCC1 ZINC000019710747 207152963 /nfs/dbraw/zinc/15/29/63/207152963.db2.gz AORYMSHTPGUESU-SFHVURJKSA-N 0 3 397.498 2.738 40 0 GFABHN Cc1nc(C2CCN(CCc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019751981 207159564 /nfs/dbraw/zinc/15/95/64/207159564.db2.gz NTMKGVGWAGMURL-UHFFFAOYSA-N 0 3 394.519 2.680 40 0 GFABHN CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000031075264 207379168 /nfs/dbraw/zinc/37/91/68/207379168.db2.gz FJFFCUQOEBWIDN-UHFFFAOYSA-N 0 3 387.505 2.719 40 0 GFABHN CCN(CC)C(=O)CN1CCC[C@@H](c2cc(Nc3cnccn3)cc(C)n2)C1 ZINC000072374840 208010133 /nfs/dbraw/zinc/01/01/33/208010133.db2.gz AYFLOVHWNQSKAC-QGZVFWFLSA-N 0 3 382.512 2.971 40 0 GFABHN CN(C)CCNC(=O)C[C@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000096079504 208261348 /nfs/dbraw/zinc/26/13/48/208261348.db2.gz CHUZRFGBJGOXLI-IBGZPJMESA-N 0 3 397.563 2.902 40 0 GFABHN COc1ccc2c3c1O[C@@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000096316381 208306311 /nfs/dbraw/zinc/30/63/11/208306311.db2.gz FNIFBBNFYMIPEZ-HDESWQQZSA-N 0 3 395.499 2.895 40 0 biogenic,in-vitro GFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3cccnc3)C2)cc1 ZINC000072345965 222233504 /nfs/dbraw/zinc/23/35/04/222233504.db2.gz REKAIGNFKCWGGJ-GOSISDBHSA-N 0 3 388.475 2.599 40 0 GFABHN NC[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529686 553053967 /nfs/dbraw/zinc/05/39/67/553053967.db2.gz NSDWPWFPWWQESM-IKGGRYGDSA-N 0 3 386.300 2.871 40 0 GFABHN NCC(=O)N1CCC(c2cccc(Nc3ncc(Br)s3)n2)CC1 ZINC000585262854 565103997 /nfs/dbraw/zinc/10/39/97/565103997.db2.gz AQNTXQASAYOAPK-UHFFFAOYSA-N 0 3 396.314 2.709 40 0 GFABHN O=C(N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCC1)c1ccc(F)cc1 ZINC000585262388 570230404 /nfs/dbraw/zinc/23/04/04/570230404.db2.gz KOWJYAAHSBVPCE-CGXNFDGLSA-N 0 3 384.451 2.601 40 0 GFABHN CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC[C@H]3COCCO3)cc12 ZINC000012186385 570620967 /nfs/dbraw/zinc/62/09/67/570620967.db2.gz KLYHFBZALZIBIE-KRWDZBQOSA-N 0 3 396.491 2.516 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480549 570903696 /nfs/dbraw/zinc/90/36/96/570903696.db2.gz ABQNVLMROCNAHX-DYXWJJEUSA-N 0 3 387.501 2.751 40 0 GFABHN C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCCN(C)C)nc(C3CC3)n1)C2 ZINC000329071803 206244459 /nfs/dbraw/zinc/24/44/59/206244459.db2.gz ZSUDXQOEFSYQAW-OAHLLOKOSA-N 0 3 381.524 2.944 40 0 GFABHN CN(C)CCNc1nc(NCc2cccc(Cl)c2)cc(-c2cccnc2)n1 ZINC000328980349 206239354 /nfs/dbraw/zinc/23/93/54/206239354.db2.gz GLEKRKTVJKVPNP-UHFFFAOYSA-N 0 3 382.899 2.621 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019014465 207100255 /nfs/dbraw/zinc/10/02/55/207100255.db2.gz SWAILVFTAAUJJV-FUHWJXTLSA-N 0 3 396.535 2.600 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[n-]c(=O)c2C1 ZINC000019014465 207100258 /nfs/dbraw/zinc/10/02/58/207100258.db2.gz SWAILVFTAAUJJV-FUHWJXTLSA-N 0 3 396.535 2.600 40 0 GFABHN COc1ccc(C)cc1CC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019132982 207104836 /nfs/dbraw/zinc/10/48/36/207104836.db2.gz WLUYEMABNSQUOF-UHFFFAOYSA-N 0 3 394.519 2.730 40 0 GFABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019345636 207117160 /nfs/dbraw/zinc/11/71/60/207117160.db2.gz SZYILDSLGMERRP-NRFANRHFSA-N 0 3 376.504 2.907 40 0 GFABHN CCOc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019520063 207127434 /nfs/dbraw/zinc/12/74/34/207127434.db2.gz TURYVTCRAZREMB-MRXNPFEDSA-N 0 3 380.492 2.883 40 0 GFABHN CCN1CCN(C2CCN(C(=O)Cn3c(C)nc4cc(C)c(C)cc43)CC2)CC1 ZINC000019528131 207130443 /nfs/dbraw/zinc/13/04/43/207130443.db2.gz NMPQHCWGTYFTOD-UHFFFAOYSA-N 0 3 397.567 2.590 40 0 GFABHN CCOc1cc(CN2CCC[C@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC ZINC000019532000 207130687 /nfs/dbraw/zinc/13/06/87/207130687.db2.gz XXVPSXOGLBHACO-INIZCTEOSA-N 0 3 387.480 2.703 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)[n-]c(=O)c2C1 ZINC000019448277 207121294 /nfs/dbraw/zinc/12/12/94/207121294.db2.gz PJRTXSDZABUZAG-IBGZPJMESA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)[n-]c(=O)c2C1 ZINC000019448277 207121296 /nfs/dbraw/zinc/12/12/96/207121296.db2.gz PJRTXSDZABUZAG-IBGZPJMESA-N 0 3 398.482 2.582 40 0 GFABHN COc1cccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c1F ZINC000019567169 207136010 /nfs/dbraw/zinc/13/60/10/207136010.db2.gz QNNZHDLFXFSFEH-UHFFFAOYSA-N 0 3 380.423 2.580 40 0 GFABHN CN(CC(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1)C(=O)c1ccco1 ZINC000019585934 207139593 /nfs/dbraw/zinc/13/95/93/207139593.db2.gz BLKDMGATTJJQAN-UHFFFAOYSA-N 0 3 395.503 2.664 40 0 GFABHN Cc1nn([C@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556165 207132647 /nfs/dbraw/zinc/13/26/47/207132647.db2.gz DZQMUBHFEAZSIZ-BFUOFWGJSA-N 0 3 382.512 2.559 40 0 GFABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 ZINC000019698311 207148920 /nfs/dbraw/zinc/14/89/20/207148920.db2.gz JGGMIRNUOUHQGK-OAQYLSRUSA-N 0 3 396.539 2.966 40 0 GFABHN COCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019593512 207142989 /nfs/dbraw/zinc/14/29/89/207142989.db2.gz FPLUFNZDGDCNJF-XUZZJYLKSA-N 0 3 392.499 2.697 40 0 GFABHN COCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019593500 207143568 /nfs/dbraw/zinc/14/35/68/207143568.db2.gz PSRXPCBSUFHNAY-WOJBJXKFSA-N 0 3 384.451 2.519 40 0 GFABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000020105642 207177072 /nfs/dbraw/zinc/17/70/72/207177072.db2.gz BDPYAAFNWLNOJI-GOSISDBHSA-N 0 3 382.526 2.547 40 0 GFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1ccc(C)cc1 ZINC000020636710 207208986 /nfs/dbraw/zinc/20/89/86/207208986.db2.gz PGVANTOMROFXNR-VQTJNVASSA-N 0 3 391.471 2.760 40 0 GFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@@H]1c1cccc(C)c1 ZINC000020636881 207209592 /nfs/dbraw/zinc/20/95/92/207209592.db2.gz XOOXWDQEPNQMHK-WOJBJXKFSA-N 0 3 391.471 2.760 40 0 GFABHN CN(C)CCNC(=O)c1nc(-c2ccn(Cc3cccnc3)c2)n2ccccc12 ZINC000306134228 209101454 /nfs/dbraw/zinc/10/14/54/209101454.db2.gz NGGQXYMIUCTGEN-UHFFFAOYSA-N 0 3 388.475 2.538 40 0 GFABHN Cc1cccc(CN2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124773 209098085 /nfs/dbraw/zinc/09/80/85/209098085.db2.gz BZACACACWPNDCQ-SFHVURJKSA-N 0 3 392.507 2.649 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@H]1C2 ZINC000306126741 209097677 /nfs/dbraw/zinc/09/76/77/209097677.db2.gz FDULWWGQZVCOBF-CABCVRRESA-N 0 3 381.411 2.567 40 0 GFABHN Cc1c(CN2CCC3(CC[C@@H]4ON=C(C(=O)NC5CCCC5)[C@@H]43)CC2)cnn1C ZINC000248035272 209030384 /nfs/dbraw/zinc/03/03/84/209030384.db2.gz MMYCMQTZTUVLOP-RBUKOAKNSA-N 0 3 399.539 2.534 40 0 GFABHN COc1nc2ccccc2cc1CNC[C@H]1CC[C@@]2(COCCN(C(C)C)C2)O1 ZINC000248156274 209029208 /nfs/dbraw/zinc/02/92/08/209029208.db2.gz IQNBXMKHZHCZIZ-NFBKMPQASA-N 0 3 399.535 2.991 40 0 GFABHN Fc1ccccc1OCCc1cc([C@H]2CN(C3CCOCC3)CCO2)n[nH]1 ZINC000257269000 209064869 /nfs/dbraw/zinc/06/48/69/209064869.db2.gz MODMSEXIDJUDDU-HXUWFJFHSA-N 0 3 375.444 2.723 40 0 GFABHN Fc1ccccc1OCCc1cc([C@@H]2CN(C3CCOCC3)CCO2)n[nH]1 ZINC000257268999 209065065 /nfs/dbraw/zinc/06/50/65/209065065.db2.gz MODMSEXIDJUDDU-FQEVSTJZSA-N 0 3 375.444 2.723 40 0 GFABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072345963 222233146 /nfs/dbraw/zinc/23/31/46/222233146.db2.gz JXAUFCXKDBZSSB-SFHVURJKSA-N 0 3 388.475 2.599 40 0 GFABHN CC(=O)N1CCc2nc([C@H]3CCCN(CCOc4cccc(C)c4)C3)ncc2C1 ZINC000072390876 222246071 /nfs/dbraw/zinc/24/60/71/222246071.db2.gz DQYYJNVVXCENJI-IBGZPJMESA-N 0 3 394.519 2.948 40 0 GFABHN Cc1cccnc1Nc1cc(CC2CCN(C(=O)/C=C/CN(C)C)CC2)ncn1 ZINC000585292525 570261961 /nfs/dbraw/zinc/26/19/61/570261961.db2.gz OAOZUTJJZVXEOP-FNORWQNLSA-N 0 3 394.523 2.823 40 0 GFABHN COc1cccc(CN2C(=O)[C@H]3CN(Cc4ccccc4)C[C@H]3C2=O)c1Cl ZINC000664069788 570281073 /nfs/dbraw/zinc/28/10/73/570281073.db2.gz ZSAKFWCZHBMQEH-CALCHBBNSA-N 0 3 384.863 2.966 40 0 GFABHN Cc1c(F)cccc1CN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108534762 570312981 /nfs/dbraw/zinc/31/29/81/570312981.db2.gz YHZGXJYLPOLFTK-KRWDZBQOSA-N 0 3 396.528 2.730 40 0 GFABHN C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)CNC3CCCC3)cc2)C1 ZINC000000902199 570514421 /nfs/dbraw/zinc/51/44/21/570514421.db2.gz SCFDMWWQRNYHBU-OAHLLOKOSA-N 0 3 379.526 2.578 40 0 GFABHN Cc1ccc2c(c1)CN(C(=O)Cc1ccc3c(c1)OCO3)[C@H](CN(C)C)CO2 ZINC000012406613 570653949 /nfs/dbraw/zinc/65/39/49/570653949.db2.gz SBVDPQSLPFQSEK-GOSISDBHSA-N 0 3 382.460 2.618 40 0 GFABHN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCN(Cc3ccccc3)C2)c2ccccc2O1 ZINC000260828194 570708516 /nfs/dbraw/zinc/70/85/16/570708516.db2.gz MNZJUSUFFPHZGL-RXVVDRJESA-N 0 3 394.471 2.866 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532335 570925376 /nfs/dbraw/zinc/92/53/76/570925376.db2.gz PKUDCTXBOKGATM-JENIJYKNSA-N 0 3 393.892 2.788 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218527077 570925398 /nfs/dbraw/zinc/92/53/98/570925398.db2.gz DFNOHQDZDNWXQD-JENIJYKNSA-N 0 3 393.892 2.788 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532170 570925472 /nfs/dbraw/zinc/92/54/72/570925472.db2.gz PKUDCTXBOKGATM-ZIFCJYIRSA-N 0 3 393.892 2.788 40 0 GFABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103739 570929190 /nfs/dbraw/zinc/92/91/90/570929190.db2.gz OAVOYDLAPKLRLV-GOSISDBHSA-N 0 3 375.488 2.803 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCC(=O)N(C)C)s1 ZINC000585104771 570933624 /nfs/dbraw/zinc/93/36/24/570933624.db2.gz MFDVSFMXPGAFID-KRWDZBQOSA-N 0 3 380.554 2.923 40 0 GFABHN COc1cc(-c2nnc(SCCN3CCCCC3)n2C)cc(OC)c1O ZINC000000919852 206333584 /nfs/dbraw/zinc/33/35/84/206333584.db2.gz YXFDRLAQNMYIIS-UHFFFAOYSA-N 0 3 378.498 2.783 40 0 GFABHN O=C1NCC2(CCN(C[C@H]3COc4ccccc4O3)CC2)N1c1ccccc1 ZINC000001640521 206388597 /nfs/dbraw/zinc/38/85/97/206388597.db2.gz LDOBJJZKPRYYIQ-SFHVURJKSA-N 0 3 379.460 2.891 40 0 GFABHN CC(C)CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2ccco2)CC1 ZINC000306140777 209106895 /nfs/dbraw/zinc/10/68/95/209106895.db2.gz VDZUTOMCXYYKTB-UHFFFAOYSA-N 0 3 385.512 2.876 40 0 GFABHN C[C@H](Oc1cccc(F)c1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019079475 207101046 /nfs/dbraw/zinc/10/10/46/207101046.db2.gz DQXAMRSTBXIHEN-HNNXBMFYSA-N 0 3 398.482 2.777 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448295 207122221 /nfs/dbraw/zinc/12/22/21/207122221.db2.gz AOSTXDPQKFNGCS-GOSISDBHSA-N 0 3 384.455 2.653 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)[n-]c(=O)c2C1 ZINC000019448295 207122223 /nfs/dbraw/zinc/12/22/23/207122223.db2.gz AOSTXDPQKFNGCS-GOSISDBHSA-N 0 3 384.455 2.653 40 0 GFABHN COc1ccc(CCC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 ZINC000019588274 207139189 /nfs/dbraw/zinc/13/91/89/207139189.db2.gz QCRONTXEAVRHTM-UHFFFAOYSA-N 0 3 394.519 2.812 40 0 GFABHN CCN(C(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)C1CCN(C)CC1 ZINC000019666925 207149283 /nfs/dbraw/zinc/14/92/83/207149283.db2.gz ZGAPMBKHAHOPEV-SFHVURJKSA-N 0 3 396.535 2.502 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590301 207142017 /nfs/dbraw/zinc/14/20/17/207142017.db2.gz MRFOENXOCOYZLU-IBGZPJMESA-N 0 3 396.491 2.849 40 0 GFABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 ZINC000019710992 207152513 /nfs/dbraw/zinc/15/25/13/207152513.db2.gz ILIXUBPXJUUBQH-MRXNPFEDSA-N 0 3 398.511 2.779 40 0 GFABHN CN(C)C[C@@H]1[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000022591147 207256048 /nfs/dbraw/zinc/25/60/48/207256048.db2.gz PIJASLBJPRDNRA-MQSCRBSSSA-N 0 3 386.536 2.632 40 0 GFABHN CCN1CCC[C@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914968 207265583 /nfs/dbraw/zinc/26/55/83/207265583.db2.gz KNLRYTVGFIYFAK-KRWDZBQOSA-N 0 3 383.471 2.735 40 0 GFABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1F ZINC000030326184 207370501 /nfs/dbraw/zinc/37/05/01/207370501.db2.gz UQOMHSNZHYTOPJ-UHFFFAOYSA-N 0 3 378.469 2.909 40 0 GFABHN CC(C)CNC(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096036763 208256106 /nfs/dbraw/zinc/25/61/06/208256106.db2.gz WWJBVHHCVMKHOR-KRWDZBQOSA-N 0 3 388.537 2.607 40 0 GFABHN COCCN(C)c1nc(C2CCN(Cc3cccnc3)CC2)cc2c1ncn2C ZINC000096099965 208263658 /nfs/dbraw/zinc/26/36/58/208263658.db2.gz RLCGTWCZMFDFQD-UHFFFAOYSA-N 0 3 394.523 2.826 40 0 GFABHN COc1ccc(CN2C[C@@H]3CN(C(=O)CCc4cccnc4)C[C@@H]3C2)cc1F ZINC000096245538 208294465 /nfs/dbraw/zinc/29/44/65/208294465.db2.gz MCGKZBTZBNOGIT-KDURUIRLSA-N 0 3 383.467 2.752 40 0 GFABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 ZINC000257217918 209058451 /nfs/dbraw/zinc/05/84/51/209058451.db2.gz DBCPVMFSVTYSHC-CQSZACIVSA-N 0 3 378.473 2.868 40 0 GFABHN COc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c(OC)c1 ZINC000101319451 533997497 /nfs/dbraw/zinc/99/74/97/533997497.db2.gz UALIABQOEVDVNS-SFHVURJKSA-N 0 3 393.443 2.649 40 0 GFABHN Cc1cccc(OC[C@]2(CNCc3cn(C)c4ccccc34)C[C@@H](O)[C@@H](O)C2)n1 ZINC000107430361 560044916 /nfs/dbraw/zinc/04/49/16/560044916.db2.gz IRCSPLGDPURNIO-IUTQVRIDSA-N 0 3 395.503 2.552 40 0 biogenic,in-vitro GFABHN O=C(Cc1ccccc1)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000585262190 570229504 /nfs/dbraw/zinc/22/95/04/570229504.db2.gz UQPYBCYUTCIOTG-HTDNTCHWSA-N 0 3 394.515 2.781 40 0 GFABHN COCCOc1cc(CN(C)C[C@H](O)COc2ccccc2)ccc1OC ZINC000585262529 570230627 /nfs/dbraw/zinc/23/06/27/570230627.db2.gz MBUOBDRCXHCINE-SFHVURJKSA-N 0 3 375.465 2.592 40 0 GFABHN COc1cc(CN(C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OCCO ZINC000585262501 570230647 /nfs/dbraw/zinc/23/06/47/570230647.db2.gz GYWGMHPZQFWVLI-LJQANCHMSA-N 0 3 389.492 2.555 40 0 GFABHN CC(=O)N1CCN(C2CCCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585284683 570253918 /nfs/dbraw/zinc/25/39/18/570253918.db2.gz ZAAOSVBDEFTKMS-NRFANRHFSA-N 0 3 378.488 2.823 40 0 GFABHN CN(C)C/C=C/C(=O)N1CCC[C@@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000585292551 570261919 /nfs/dbraw/zinc/26/19/19/570261919.db2.gz OLSSMGBXBAFKIW-NADMHLTPSA-N 0 3 380.496 2.514 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223254801 570453140 /nfs/dbraw/zinc/45/31/40/570453140.db2.gz WHJNHCBANGPUCN-WOJBJXKFSA-N 0 3 392.532 2.801 40 0 GFABHN CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000011714592 570580580 /nfs/dbraw/zinc/58/05/80/570580580.db2.gz KSTKIRKSCNNFMZ-UHFFFAOYSA-N 0 3 387.505 2.584 40 0 GFABHN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038836311 570587249 /nfs/dbraw/zinc/58/72/49/570587249.db2.gz OMNZALSRRKNOKR-QGZVFWFLSA-N 0 3 393.915 2.853 40 0 GFABHN COCCN1C(=O)C(CC(=O)Nc2cccc(C)c2)n2c3ccccc3nc21 ZINC000039963957 570594571 /nfs/dbraw/zinc/59/45/71/570594571.db2.gz ZTPQNRQLFRSHIO-SFHVURJKSA-N 0 3 378.432 2.908 40 0 GFABHN O[C@H](CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)CCC2 ZINC000012292573 570633832 /nfs/dbraw/zinc/63/38/32/570633832.db2.gz YTDVWPKJDIMCDL-HXUWFJFHSA-N 0 3 381.472 2.921 40 0 GFABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(O)ccc2O3)c1 ZINC000012330102 570644693 /nfs/dbraw/zinc/64/46/93/570644693.db2.gz DIXBVXAXHALXCO-WOJBJXKFSA-N 0 3 385.460 2.785 40 0 GFABHN Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccncc4)[C@H]3C2)n(C)n1 ZINC000585109537 570937736 /nfs/dbraw/zinc/93/77/36/570937736.db2.gz AZJUFKNXLNAOOS-FDFHNCONSA-N 0 3 387.487 2.824 40 0 GFABHN CCCCc1cn(C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NCc2ccccc2)nn1 ZINC000008298202 291120046 /nfs/dbraw/zinc/12/00/46/291120046.db2.gz HCNBGFDQDSTCAO-TYPHKJRUSA-N 0 3 381.524 2.648 40 0 biogenic,in-vitro GFABHN O=C(NCc1ccco1)[C@H]1CN2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298639 291123364 /nfs/dbraw/zinc/12/33/64/291123364.db2.gz HQCBAROQBYFOOA-GGPKGHCWSA-N 0 3 391.475 2.565 40 0 biogenic,in-vitro GFABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC ZINC000004217025 206261137 /nfs/dbraw/zinc/26/11/37/206261137.db2.gz VBWVFQIJCNAECD-SFHVURJKSA-N 0 3 386.565 2.936 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019014784 207100191 /nfs/dbraw/zinc/10/01/91/207100191.db2.gz UGFWGVJGEUIZLI-SFHVURJKSA-N 0 3 398.551 2.824 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019014784 207100196 /nfs/dbraw/zinc/10/01/96/207100196.db2.gz UGFWGVJGEUIZLI-SFHVURJKSA-N 0 3 398.551 2.824 40 0 GFABHN COc1ccc(OC)c([C@@H](O)CN2CCCN(Cc3ncccc3C)CC2)c1 ZINC000019237799 207110528 /nfs/dbraw/zinc/11/05/28/207110528.db2.gz HOWGOWZXHILUSZ-NRFANRHFSA-N 0 3 385.508 2.649 40 0 GFABHN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019499410 207124902 /nfs/dbraw/zinc/12/49/02/207124902.db2.gz XLMPTCJXRPZZNA-QZTJIDSGSA-N 0 3 384.455 2.783 40 0 GFABHN CCn1nc(C)c(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523827 207128135 /nfs/dbraw/zinc/12/81/35/207128135.db2.gz INOLWCATLNCXDC-SFHVURJKSA-N 0 3 398.555 2.973 40 0 GFABHN CCn1nc(C)c(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523827 207128138 /nfs/dbraw/zinc/12/81/38/207128138.db2.gz INOLWCATLNCXDC-SFHVURJKSA-N 0 3 398.555 2.973 40 0 GFABHN CCN1CCN(C2CCN(C(=O)c3cccc(-n4nc(C)cc4C)c3)CC2)CC1 ZINC000019528139 207131287 /nfs/dbraw/zinc/13/12/87/207131287.db2.gz LZPRROIFQZAYIC-UHFFFAOYSA-N 0 3 395.551 2.731 40 0 GFABHN COc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c(OC)c1 ZINC000019590447 207141297 /nfs/dbraw/zinc/14/12/97/207141297.db2.gz DIUCPFKEOCKEQZ-HNNXBMFYSA-N 0 3 396.491 2.502 40 0 GFABHN COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590294 207142276 /nfs/dbraw/zinc/14/22/76/207142276.db2.gz IPQAPFWTLWADSL-HXUWFJFHSA-N 0 3 380.492 2.769 40 0 GFABHN C[C@@H](c1cc(=O)[n-]c(NCC(C)(C)C[NH+](C)C)n1)n1ncc2ccccc2c1=O ZINC000019717573 207153997 /nfs/dbraw/zinc/15/39/97/207153997.db2.gz IFRRIYJCALANCN-AWEZNQCLSA-N 0 3 396.495 2.501 40 0 GFABHN Cc1cc(S(=O)(=O)NCCCN2CCC(C)CC2)ccc1N1CCCC1=O ZINC000030859814 207376121 /nfs/dbraw/zinc/37/61/21/207376121.db2.gz TZGBUPDXKFVAQJ-UHFFFAOYSA-N 0 3 393.553 2.522 40 0 GFABHN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(CC(=O)N3CCCC3)C2)n1 ZINC000072374846 208007614 /nfs/dbraw/zinc/00/76/14/208007614.db2.gz CKBTULRNXJXFLD-KRWDZBQOSA-N 0 3 380.496 2.725 40 0 GFABHN CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccsc1)CCC2 ZINC000096056123 208258636 /nfs/dbraw/zinc/25/86/36/208258636.db2.gz ARPKXXDPTQRGPP-RXVVDRJESA-N 0 3 384.549 2.950 40 0 GFABHN CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(Cc1ccccc1)CC2 ZINC000096260383 208295714 /nfs/dbraw/zinc/29/57/14/208295714.db2.gz HQTQTAGXBFVORX-UHFFFAOYSA-N 0 3 378.520 2.984 40 0 GFABHN CNC(=O)c1cc2c(nc1NCC(C)C)CCN(Cc1c(C)noc1C)CC2 ZINC000096260487 208296808 /nfs/dbraw/zinc/29/68/08/208296808.db2.gz QYRDIPKTWBWBTJ-UHFFFAOYSA-N 0 3 385.512 2.715 40 0 GFABHN CC(C)n1cc(CN2CCC3(CC[C@@H]4ON=C(C(=O)N5CC=CC5)[C@@H]43)CC2)cn1 ZINC000306138371 209104079 /nfs/dbraw/zinc/10/40/79/209104079.db2.gz RVYKIZZGMCZNRM-RBUKOAKNSA-N 0 3 397.523 2.609 40 0 GFABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)C3(c4cccc(Cl)c4)CC3)C2)O1 ZINC000306138125 209103617 /nfs/dbraw/zinc/10/36/17/209103617.db2.gz RPVYTRKQMULVPO-QUCCMNQESA-N 0 3 392.927 2.710 40 0 GFABHN COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)nc(C)n1)CC2 ZINC000329004272 533172443 /nfs/dbraw/zinc/17/24/43/533172443.db2.gz KQQQVRAEDGWVOZ-QGZVFWFLSA-N 0 3 386.496 2.794 40 0 GFABHN CC(=O)NCc1cccc(-c2cccnc2C(=O)NCCN2CCCCC2)c1 ZINC000257275092 209065680 /nfs/dbraw/zinc/06/56/80/209065680.db2.gz NNWILARBMPYGIO-UHFFFAOYSA-N 0 3 380.492 2.600 40 0 GFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC[C@H](C(=O)N(C)C)C2)c1 ZINC000257288898 209069585 /nfs/dbraw/zinc/06/95/85/209069585.db2.gz PWDHTIMMFYPRMM-IBGZPJMESA-N 0 3 394.519 2.751 40 0 GFABHN CCOc1ccccc1C(=O)NCCn1nc([C@H]2CCN(C)C2)c2cccnc21 ZINC000072391587 222249742 /nfs/dbraw/zinc/24/97/42/222249742.db2.gz OGFNJZPDBYAECI-INIZCTEOSA-N 0 3 393.491 2.679 40 0 GFABHN NC[C@@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218529611 553053897 /nfs/dbraw/zinc/05/38/97/553053897.db2.gz NSDWPWFPWWQESM-IXDOHACOSA-N 0 3 386.300 2.871 40 0 GFABHN COc1ccc2c3c1O[C@]1(C)[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000253504323 560038406 /nfs/dbraw/zinc/03/84/06/560038406.db2.gz FNIFBBNFYMIPEZ-REAOZQTLSA-N 0 3 395.499 2.895 40 0 biogenic,in-vitro GFABHN Cc1cccnc1Nc1cc(C[C@H]2CCCN(C(=O)/C=C/CN(C)C)C2)ncn1 ZINC000585291278 570259828 /nfs/dbraw/zinc/25/98/28/570259828.db2.gz ANPJWAKIEZEGLZ-AHKGRUIUSA-N 0 3 394.523 2.823 40 0 GFABHN FC1(F)CCC(N2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381545 570352316 /nfs/dbraw/zinc/35/23/16/570352316.db2.gz HMAKCNQFMYAIEC-HXUWFJFHSA-N 0 3 391.506 2.835 40 0 biogenic,in-vitro GFABHN CCN(CC)CCOC(=O)CCN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000005214750 570431533 /nfs/dbraw/zinc/43/15/33/570431533.db2.gz QTMNAFGPMLULLA-PEZBUJJGSA-N 0 3 376.478 2.998 40 0 GFABHN COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NC2CCN(C)CC2)cc1 ZINC000223584940 570472655 /nfs/dbraw/zinc/47/26/55/570472655.db2.gz GYWYAWQFPBEZHP-RGEXLXHISA-N 0 3 399.516 2.738 40 0 GFABHN COc1ccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)cc1CO ZINC000012086109 570606270 /nfs/dbraw/zinc/60/62/70/570606270.db2.gz JGBCCUMDVZEZDZ-UHFFFAOYSA-N 0 3 392.503 2.668 40 0 GFABHN CCCn1c2ccc(S(=O)(=O)NCCCN3CCCCC3)cc2sc1=O ZINC000225727849 570609692 /nfs/dbraw/zinc/60/96/92/570609692.db2.gz CCFSFGRDLDXQMN-UHFFFAOYSA-N 0 3 397.566 2.627 40 0 GFABHN COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365920 570646627 /nfs/dbraw/zinc/64/66/27/570646627.db2.gz QLPVJGLMQLAYKJ-WLPBJKJWSA-N 0 3 396.491 2.530 40 0 GFABHN COc1ccccc1/C=C\C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365920 570646632 /nfs/dbraw/zinc/64/66/32/570646632.db2.gz QLPVJGLMQLAYKJ-WLPBJKJWSA-N 0 3 396.491 2.530 40 0 GFABHN CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCN[C@H](C)C3)c(F)cc2c1=O ZINC000034165939 570647273 /nfs/dbraw/zinc/64/72/73/570647273.db2.gz GYZIKBVCDQFOAS-LLVKDONJSA-N 0 3 391.418 2.589 40 0 GFABHN CC(C)N1C[C@@H](C(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)CC1=O ZINC000019447644 210247629 /nfs/dbraw/zinc/24/76/29/210247629.db2.gz QHCPDTGNTGAIFW-HGCBZUSOSA-N 0 3 399.535 2.565 40 0 GFABHN COc1ccc(CN2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC ZINC000019239174 210236116 /nfs/dbraw/zinc/23/61/16/210236116.db2.gz TXOSSLDRUXFTOW-OAHLLOKOSA-N 0 3 381.436 2.842 40 0 GFABHN COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078807 210223590 /nfs/dbraw/zinc/22/35/90/210223590.db2.gz FSUXKVBEFDDMMY-QAPCUYQASA-N 0 3 396.491 2.604 40 0 GFABHN COc1ccc(C(O)(C(=O)OCCN2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000001768932 209339206 /nfs/dbraw/zinc/33/92/06/209339206.db2.gz CLWPOVIJZXFQHS-UHFFFAOYSA-N 0 3 399.487 2.969 40 0 GFABHN O=C(NC1CCC1)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306139433 212053848 /nfs/dbraw/zinc/05/38/48/212053848.db2.gz SXARQAAFSMUKRO-UHFFFAOYSA-N 0 3 397.498 2.928 40 0 GFABHN CC(C)NC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306129103 212046387 /nfs/dbraw/zinc/04/63/87/212046387.db2.gz HUSCBRFRCQKEJW-UHFFFAOYSA-N 0 3 385.487 2.784 40 0 GFABHN O=C(c1ccc(CN2CCCCC2)cc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 ZINC000257256906 212013051 /nfs/dbraw/zinc/01/30/51/212013051.db2.gz KNJFICSTNXDYMT-SFTDATJTSA-N 0 3 382.508 2.707 40 0 GFABHN c1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369615 211723622 /nfs/dbraw/zinc/72/36/22/211723622.db2.gz RCRASJLIYQLENX-NHCUHLMSSA-N 0 3 396.539 2.502 40 0 GFABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn32)CC1 ZINC000096267412 211328174 /nfs/dbraw/zinc/32/81/74/211328174.db2.gz KHHXNOKSBAXKKR-UHFFFAOYSA-N 0 3 391.519 2.837 40 0 GFABHN O=C(N[C@@H]1CCCOC1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373040 211102487 /nfs/dbraw/zinc/10/24/87/211102487.db2.gz KTSMHVQMKCNDOR-FSSWDIPSSA-N 0 3 392.499 2.913 40 0 GFABHN Cc1nc2ccc(C(=O)N3CCn4c(nnc4C4CCN(C)CC4)C3)cc2s1 ZINC000019711277 210285863 /nfs/dbraw/zinc/28/58/63/210285863.db2.gz ASXORWGPBVFUGS-UHFFFAOYSA-N 0 3 396.520 2.661 40 0 GFABHN CC[C@H](C(=O)N1CCC(c2ccc(C(=O)NCC3CC3)cn2)CC1)N1CCCC1 ZINC000019708375 210284796 /nfs/dbraw/zinc/28/47/96/210284796.db2.gz FTFQMZGSYXSPSS-OAQYLSRUSA-N 0 3 398.551 2.802 40 0 GFABHN Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@H]5CCCN(C)C5)n4CC3)cc21 ZINC000019709272 210284502 /nfs/dbraw/zinc/28/45/02/210284502.db2.gz FHJSVKGWLBPPOO-INIZCTEOSA-N 0 3 392.507 2.576 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590300 210272755 /nfs/dbraw/zinc/27/27/55/210272755.db2.gz MRFOENXOCOYZLU-LJQANCHMSA-N 0 3 396.491 2.849 40 0 GFABHN CCN(C(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4ccccc4O3)[C@@H]21)C1CCN(C)CC1 ZINC000012122394 221154806 /nfs/dbraw/zinc/15/48/06/221154806.db2.gz SJTCBZRVBOIBSN-XKPYVIEYSA-N 0 3 382.504 2.989 40 0 GFABHN Cc1ccccc1CN1CC[C@@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244578 136185708 /nfs/dbraw/zinc/18/57/08/136185708.db2.gz UKRVARDUBIEVTF-HSZRJFAPSA-N 0 3 394.519 2.604 40 0 GFABHN NCC1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218473882 553053771 /nfs/dbraw/zinc/05/37/71/553053771.db2.gz KVUJHVCOAZYBNB-HOTGVXAUSA-N 0 3 385.316 2.837 40 0 GFABHN O[C@@H]1CCN(Cc2nc(C3(O)CCN(CC4CCCCC4)CC3)cs2)C1 ZINC000225464870 560043412 /nfs/dbraw/zinc/04/34/12/560043412.db2.gz JANYLXGIGDZVSM-QGZVFWFLSA-N 0 3 379.570 2.573 40 0 biogenic,in-vitro GFABHN CN(C)CCNCc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000022916076 570335323 /nfs/dbraw/zinc/33/53/23/570335323.db2.gz MDVOZZHOOVNLMX-UHFFFAOYSA-N 0 3 385.487 2.802 40 0 GFABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OCc2ccccc2)C(C)C)C1 ZINC000079413410 570597934 /nfs/dbraw/zinc/59/79/34/570597934.db2.gz GBYHFBZRCDNVPT-MOPGFXCFSA-N 0 3 375.513 2.865 40 0 GFABHN COc1ccc(C2(NCc3ccc(OCC(=O)N4CCOCC4)cc3)CC2)cc1 ZINC000012238669 570629641 /nfs/dbraw/zinc/62/96/41/570629641.db2.gz IDZODKFTFOSDHG-UHFFFAOYSA-N 0 3 396.487 2.712 40 0 GFABHN COC[C@@H]1CN(Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 ZINC000247901085 570717323 /nfs/dbraw/zinc/71/73/23/570717323.db2.gz VYFNLSOTTJZBNN-HNNXBMFYSA-N 0 3 375.494 2.737 40 0 GFABHN C[C@@H]1CN(c2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[n-]2)C[C@H](C)O1 ZINC000019717526 571040240 /nfs/dbraw/zinc/04/02/40/571040240.db2.gz JABLOKJUMXKEKZ-IYBDPMFKSA-N 0 3 383.496 2.570 40 0 GFABHN COc1ccc(Cl)cc1C(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019558994 210264415 /nfs/dbraw/zinc/26/44/15/210264415.db2.gz SBLBMEPRODOLCV-UHFFFAOYSA-N 0 3 386.883 2.804 40 0 GFABHN COc1ccc(C2(CN3CCC(NS(C)(=O)=O)CC3)CCCCC2)cc1 ZINC000019553840 210261794 /nfs/dbraw/zinc/26/17/94/210261794.db2.gz IALDGJNQSFAMJQ-UHFFFAOYSA-N 0 3 380.554 2.911 40 0 GFABHN COc1ccc(OC)c(CN2CC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 ZINC000019551441 210261523 /nfs/dbraw/zinc/26/15/23/210261523.db2.gz VSDPLSOZOUQJDT-HNNXBMFYSA-N 0 3 392.459 2.839 40 0 GFABHN COc1cc(CN2CCC(c3[nH]nc4nccnc43)CC2)cc(OC)c1OC ZINC000019549697 210260029 /nfs/dbraw/zinc/26/00/29/210260029.db2.gz TUAOOHAYMWGOLC-UHFFFAOYSA-N 0 3 383.452 2.758 40 0 GFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019499437 210255203 /nfs/dbraw/zinc/25/52/03/210255203.db2.gz BSXALHGRFBSHAG-UXHICEINSA-N 0 3 396.491 2.652 40 0 GFABHN COc1c(C)cccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019235832 210232427 /nfs/dbraw/zinc/23/24/27/210232427.db2.gz CLWOUHQWJJYUBK-INIZCTEOSA-N 0 3 380.492 2.801 40 0 GFABHN COc1cc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O ZINC000019129181 210226947 /nfs/dbraw/zinc/22/69/47/210226947.db2.gz IBHKOUIWDFMFLH-OAHLLOKOSA-N 0 3 397.479 2.722 40 0 GFABHN COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019078784 210224001 /nfs/dbraw/zinc/22/40/01/210224001.db2.gz BJYDGOBOSGTUJJ-MGPUTAFESA-N 0 3 396.491 2.604 40 0 GFABHN CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccc3F)C2)c2cccnc21 ZINC000019021846 210223869 /nfs/dbraw/zinc/22/38/69/210223869.db2.gz JDWCTAAWCUOVRE-KRWDZBQOSA-N 0 3 381.455 2.696 40 0 GFABHN COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 ZINC000072228537 212058923 /nfs/dbraw/zinc/05/89/23/212058923.db2.gz HYARWHHTOPSAAT-IBGZPJMESA-N 0 3 393.487 2.535 40 0 GFABHN Cc1ncsc1CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140702 212053726 /nfs/dbraw/zinc/05/37/26/212053726.db2.gz VBGXMNKLVHDGRR-MRXNPFEDSA-N 0 3 398.536 2.710 40 0 GFABHN CNCC(=O)N1CCC(CCc2ccnc(NC(=O)c3ccc(F)cc3)c2)CC1 ZINC000257258783 212012047 /nfs/dbraw/zinc/01/20/47/212012047.db2.gz KVNKGXXEQGRNIQ-UHFFFAOYSA-N 0 3 398.482 2.864 40 0 GFABHN CCN(CC)S(=O)(=O)N1CC[C@@H](c2cc(Nc3nccs3)cc(C)n2)C1 ZINC000257223144 212005927 /nfs/dbraw/zinc/00/59/27/212005927.db2.gz DWBXVHIFKXNJJW-CQSZACIVSA-N 0 3 395.554 2.966 40 0 GFABHN CCN(C)C(=O)c1ncn2c1nccc2C1CCN(Cc2cccnc2)CC1 ZINC000096155707 211314258 /nfs/dbraw/zinc/31/42/58/211314258.db2.gz HDUFIWCUGIRATF-UHFFFAOYSA-N 0 3 378.480 2.596 40 0 GFABHN CN(C)c1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590451 210273612 /nfs/dbraw/zinc/27/36/12/210273612.db2.gz IUFCKKJUPDKURF-KRWDZBQOSA-N 0 3 379.508 2.550 40 0 GFABHN CCOCCOc1ccc(CN(C)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000585269846 570238806 /nfs/dbraw/zinc/23/88/06/570238806.db2.gz MCOBDRHABVJJHY-IBGZPJMESA-N 0 3 389.492 2.982 40 0 GFABHN COc1ccc(OC)c(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)c1 ZINC000585293416 570262638 /nfs/dbraw/zinc/26/26/38/570262638.db2.gz WJAODPFANDJUAN-QWFCFKBJSA-N 0 3 377.868 2.678 40 0 GFABHN OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1cccc(OC2CCCC2)c1 ZINC000585295352 570279757 /nfs/dbraw/zinc/27/97/57/570279757.db2.gz WHYTZQBNFDFCJG-UARRHKHWSA-N 0 3 397.515 2.518 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261848 570454200 /nfs/dbraw/zinc/45/42/00/570454200.db2.gz OMIFSMXLCBXSCY-PWIZWCRZSA-N 0 3 399.564 2.596 40 0 GFABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225680892 570602402 /nfs/dbraw/zinc/60/24/02/570602402.db2.gz DBIVXHIYUHDBLL-CQSZACIVSA-N 0 3 397.566 2.533 40 0 GFABHN Cc1nc(SCCNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000225904142 570632247 /nfs/dbraw/zinc/63/22/47/570632247.db2.gz GOPTVCYSRDYNMK-HNNXBMFYSA-N 0 3 393.944 2.887 40 0 GFABHN COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CN3CC3CCCCC3)C2)c1 ZINC000585107898 570939597 /nfs/dbraw/zinc/93/95/97/570939597.db2.gz CQQMRIZIHURUTE-YLJYHZDGSA-N 0 3 378.538 2.970 40 0 GFABHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019559023 210264344 /nfs/dbraw/zinc/26/43/44/210264344.db2.gz SYULFWNLRZUKPT-ZDUSSCGKSA-N 0 3 386.883 2.804 40 0 GFABHN COc1ccc(-c2n[nH]c(C(=O)NCCN3CCC(C)CC3)c2C)c(OC)c1 ZINC000019555162 210261109 /nfs/dbraw/zinc/26/11/09/210261109.db2.gz ONFRPSVHMYNNEV-UHFFFAOYSA-N 0 3 386.496 2.864 40 0 GFABHN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019499411 210253365 /nfs/dbraw/zinc/25/33/65/210253365.db2.gz XLMPTCJXRPZZNA-MSOLQXFVSA-N 0 3 384.455 2.783 40 0 GFABHN O=C(Cc1ccc2c(c1)CCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019345689 210242404 /nfs/dbraw/zinc/24/24/04/210242404.db2.gz WASVLMXOIAJXGE-NRFANRHFSA-N 0 3 376.504 2.907 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343446 210240876 /nfs/dbraw/zinc/24/08/76/210240876.db2.gz ALLSOSPSNQLFMS-HNNXBMFYSA-N 0 3 398.532 2.506 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343446 210240880 /nfs/dbraw/zinc/24/08/80/210240880.db2.gz ALLSOSPSNQLFMS-HNNXBMFYSA-N 0 3 398.532 2.506 40 0 GFABHN O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019331913 210240910 /nfs/dbraw/zinc/24/09/10/210240910.db2.gz DUYCTPKEHMLNBR-GOSISDBHSA-N 0 3 391.519 2.742 40 0 GFABHN Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019210862 210230897 /nfs/dbraw/zinc/23/08/97/210230897.db2.gz PVFLDTCQRHDXHJ-ZWKOTPCHSA-N 0 3 394.519 2.946 40 0 GFABHN CC(=O)NCCn1nc([C@H]2CCN(Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019021822 210224167 /nfs/dbraw/zinc/22/41/67/210224167.db2.gz OTMLXRGAQUSSGA-KRWDZBQOSA-N 0 3 381.455 2.696 40 0 GFABHN CC(=O)NCC1(c2ccccc2)CCN(C[C@@H]2COc3ccccc3O2)CC1 ZINC000001640527 209335172 /nfs/dbraw/zinc/33/51/72/209335172.db2.gz WSWPNPUMDWOKAR-HXUWFJFHSA-N 0 3 380.488 2.996 40 0 in-man GFABHN O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000306129121 212046810 /nfs/dbraw/zinc/04/68/10/212046810.db2.gz HVCBCEUSPKROKP-HKUYNNGSSA-N 0 3 391.450 2.576 40 0 GFABHN Cn1nccc1-c1ccc2nnc(C3CCN(Cc4ccsc4)CC3)n2n1 ZINC000306130825 212049050 /nfs/dbraw/zinc/04/90/50/212049050.db2.gz JQIGYGGWDKSQEH-UHFFFAOYSA-N 0 3 379.493 2.966 40 0 GFABHN Cc1nccn1[C@@H]1CC[C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)[C@H]1O ZINC000257323989 212026295 /nfs/dbraw/zinc/02/62/95/212026295.db2.gz WMSBXZVRXXOEAH-NJDAHSKKSA-N 0 3 382.508 2.672 40 0 GFABHN CSc1cccc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)c1 ZINC000329072082 209162286 /nfs/dbraw/zinc/16/22/86/209162286.db2.gz ZULHHEVMMDRTNB-UHFFFAOYSA-N 0 3 380.521 2.821 40 0 GFABHN Cc1noc(C)c1-c1cnc(C[C@H]2CCN(C(=O)C3(C)CCN(C)CC3)C2)cn1 ZINC000257259658 212013366 /nfs/dbraw/zinc/01/33/66/212013366.db2.gz KZJPPHPUWUYKIB-QGZVFWFLSA-N 0 3 397.523 2.871 40 0 GFABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2ccncc2)n1 ZINC000329044863 209158348 /nfs/dbraw/zinc/15/83/48/209158348.db2.gz SYMLNKNQAHRRNI-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN NC(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)cc1 ZINC000257261659 212012410 /nfs/dbraw/zinc/01/24/10/212012410.db2.gz LIHXCUZSWIIXMA-QZTJIDSGSA-N 0 3 377.916 2.951 40 0 GFABHN CCN(CC)C(=O)[C@@H]1Cn2ccnc2C2(CCN(Cc3ccc(C)o3)CC2)O1 ZINC000096036867 211295883 /nfs/dbraw/zinc/29/58/83/211295883.db2.gz LHORDNFFOGMVDS-SFHVURJKSA-N 0 3 386.496 2.543 40 0 GFABHN Cc1cnc(Nc2cc(C[C@@H]3CCCN(C(=O)C(C)(C)N)C3)nc(C)n2)s1 ZINC000072382940 211108577 /nfs/dbraw/zinc/10/85/77/211108577.db2.gz YPFNREGDSAPTCX-AWEZNQCLSA-N 0 3 388.541 2.812 40 0 GFABHN CC[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CN(C(=O)C2CCN(C)CC2)C1 ZINC000019747573 210290377 /nfs/dbraw/zinc/29/03/77/210290377.db2.gz FCGJXTXTYDQQTK-IBGZPJMESA-N 0 3 375.488 2.535 40 0 GFABHN COc1ccc(-c2ccnc3c(C(=O)N[C@@H](C)CN4CCCC4)cnn32)cc1 ZINC000019719010 210288562 /nfs/dbraw/zinc/28/85/62/210288562.db2.gz YUXACBDEWNVFMQ-HNNXBMFYSA-N 0 3 379.464 2.619 40 0 GFABHN COc1ccccc1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590397 210273033 /nfs/dbraw/zinc/27/30/33/210273033.db2.gz FNYWZBSMSKOZTQ-SFHVURJKSA-N 0 3 394.519 2.812 40 0 GFABHN COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)cc21 ZINC000019590542 210271640 /nfs/dbraw/zinc/27/16/40/210271640.db2.gz GADKYYBKGXNWNW-LJQANCHMSA-N 0 3 391.475 2.932 40 0 GFABHN CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1ccc(C)s1)C2 ZINC000096050142 136183397 /nfs/dbraw/zinc/18/33/97/136183397.db2.gz KTNTXKVXEHAHGF-NRFANRHFSA-N 0 3 383.517 2.896 40 0 GFABHN OCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc4ccccc43)C2)cc1 ZINC000585267866 570233529 /nfs/dbraw/zinc/23/35/29/570233529.db2.gz KUAIHNAOMRXFLJ-GMAHTHKFSA-N 0 3 379.456 2.835 40 0 GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000020801028 570281436 /nfs/dbraw/zinc/28/14/36/570281436.db2.gz GTSWXTBWDXGOKJ-RBUKOAKNSA-N 0 3 395.434 2.590 40 0 GFABHN CN(C)C[C@H]1[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C2CCN1CC2 ZINC000022591158 570322583 /nfs/dbraw/zinc/32/25/83/570322583.db2.gz PIJASLBJPRDNRA-QNWVGRARSA-N 0 3 386.536 2.632 40 0 GFABHN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccncc1 ZINC000223607181 570474153 /nfs/dbraw/zinc/47/41/53/570474153.db2.gz ALMUQAHYZXNWPE-OALUTQOASA-N 0 3 379.489 2.622 40 0 GFABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCc3ccccn3)cc12 ZINC000036740443 570568662 /nfs/dbraw/zinc/56/86/62/570568662.db2.gz OHYQANBXFPKRJA-UHFFFAOYSA-N 0 3 377.423 2.889 40 0 GFABHN O=C1C2=C(CN1CCN1CCCC1)NC(=O)N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000012113458 570609316 /nfs/dbraw/zinc/60/93/16/570609316.db2.gz WUKRXURGTHMNNU-MRXNPFEDSA-N 0 3 395.290 2.539 40 0 GFABHN Cc1cc(C)n2ncc(CN3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@@H]4C3)c2n1 ZINC000257367379 570914833 /nfs/dbraw/zinc/91/48/33/570914833.db2.gz DWDVNOSIESYJLT-KPLVRAHFSA-N 0 3 377.492 2.779 40 0 GFABHN Cc1nc(C)c(CN2CCC[C@@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 ZINC000585100869 570928538 /nfs/dbraw/zinc/92/85/38/570928538.db2.gz ZSRKEPCQBPPCEP-HXUWFJFHSA-N 0 3 392.569 2.632 40 0 GFABHN Cc1noc(C)c1CN1C[C@]2(CC1=O)COCCN(Cc1ccccc1C)C2 ZINC000585103686 570929169 /nfs/dbraw/zinc/92/91/69/570929169.db2.gz FHORIPGYUACGBS-JOCHJYFZSA-N 0 3 383.492 2.851 40 0 GFABHN Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1C)C2 ZINC000585103690 570929270 /nfs/dbraw/zinc/92/92/70/570929270.db2.gz FHORIPGYUACGBS-QFIPXVFZSA-N 0 3 383.492 2.851 40 0 GFABHN CCCN1CCN(C(=O)CNC)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000585183551 571000494 /nfs/dbraw/zinc/00/04/94/571000494.db2.gz ACGWLKDAMQJIKI-QFIPXVFZSA-N 0 3 393.531 2.813 40 0 GFABHN COc1ccc(Nc2cc(C3CC3)nc(NCCN(C)C)n2)cc1C(F)(F)F ZINC000328955247 571046839 /nfs/dbraw/zinc/04/68/39/571046839.db2.gz AAXHEJBMAAQFHS-UHFFFAOYSA-N 0 3 395.429 2.942 40 0 GFABHN Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(CCC(N)=O)CC3)c12 ZINC000019554577 210260986 /nfs/dbraw/zinc/26/09/86/210260986.db2.gz WEZJFKPUVZBWSP-UHFFFAOYSA-N 0 3 385.512 2.882 40 0 GFABHN CCOc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019533002 210260216 /nfs/dbraw/zinc/26/02/16/210260216.db2.gz UCDSBAZYDBOHJQ-HXUWFJFHSA-N 0 3 380.492 2.817 40 0 GFABHN CCn1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524537 210257178 /nfs/dbraw/zinc/25/71/78/210257178.db2.gz GZGASSFHLNUCCY-KRWDZBQOSA-N 0 3 384.528 2.665 40 0 GFABHN CCn1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524537 210257181 /nfs/dbraw/zinc/25/71/81/210257181.db2.gz GZGASSFHLNUCCY-KRWDZBQOSA-N 0 3 384.528 2.665 40 0 GFABHN CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523826 210256936 /nfs/dbraw/zinc/25/69/36/210256936.db2.gz INOLWCATLNCXDC-GOSISDBHSA-N 0 3 398.555 2.973 40 0 GFABHN CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019523826 210256938 /nfs/dbraw/zinc/25/69/38/210256938.db2.gz INOLWCATLNCXDC-GOSISDBHSA-N 0 3 398.555 2.973 40 0 GFABHN CCN(CCN(C)C)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1 ZINC000019526584 210256348 /nfs/dbraw/zinc/25/63/48/210256348.db2.gz MABLAPTZUOKPQH-UHFFFAOYSA-N 0 3 388.537 2.670 40 0 GFABHN COc1cc2c(cc1O)CCN(Cc1cn(CC(N)=O)c3ccccc13)[C@H]2C ZINC000019498328 210251883 /nfs/dbraw/zinc/25/18/83/210251883.db2.gz AECPPGWFNDDDJC-AWEZNQCLSA-N 0 3 379.460 2.960 40 0 GFABHN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019211496 210230413 /nfs/dbraw/zinc/23/04/13/210230413.db2.gz VLWBYHYXKZYGKG-LJQANCHMSA-N 0 3 386.521 2.689 40 0 GFABHN O=c1c(-c2ccccc2)nnc2n1CC[C@]21CCN(Cc2ccc(F)cc2)C1 ZINC000306143045 212054595 /nfs/dbraw/zinc/05/45/95/212054595.db2.gz XRQDSHJYXQDXNT-QFIPXVFZSA-N 0 3 376.435 2.992 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306126739 212045319 /nfs/dbraw/zinc/04/53/19/212045319.db2.gz FDTMVAHGIMXNTE-JKSUJKDBSA-N 0 3 379.489 2.896 40 0 GFABHN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)CCCN2Cc3ccccc3C2)[C@H]1O ZINC000257337673 212027344 /nfs/dbraw/zinc/02/73/44/212027344.db2.gz YTWTXSJOJFHXHL-KCZVDYSFSA-N 0 3 382.508 2.558 40 0 GFABHN COc1cc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc(OC)c1 ZINC000329050858 209159280 /nfs/dbraw/zinc/15/92/80/209159280.db2.gz UVILVGHMROYYQA-UHFFFAOYSA-N 0 3 393.491 2.722 40 0 GFABHN CN(C)CCNc1nccc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000329021368 209157340 /nfs/dbraw/zinc/15/73/40/209157340.db2.gz OGSCWMGWSBAUMV-UHFFFAOYSA-N 0 3 381.402 2.911 40 0 GFABHN CN(C)CCNc1nc(NCc2ccccc2Br)cc(C2CC2)n1 ZINC000329001453 209155422 /nfs/dbraw/zinc/15/54/22/209155422.db2.gz KEKPJTWYZQZSNR-UHFFFAOYSA-N 0 3 390.329 2.546 40 0 GFABHN COc1ccc(CN2CCC3(C[C@@H](NC(=O)c4ccccn4)CO3)CC2)cc1 ZINC000096221074 211320040 /nfs/dbraw/zinc/32/00/40/211320040.db2.gz SDLWMGBLIGFFLY-GOSISDBHSA-N 0 3 381.476 2.644 40 0 GFABHN CC(=O)N1CC[C@H](c2nn(CCNCc3cccc(Cl)c3)c3nccnc23)C1 ZINC000072391654 211110982 /nfs/dbraw/zinc/11/09/82/211110982.db2.gz ZHHGFVGDDQQTIR-INIZCTEOSA-N 0 3 398.898 2.605 40 0 GFABHN COc1ccc(CCC(=O)N(C)Cc2cc(N(C)C)nc([C@@H]3CCCN3)n2)cc1 ZINC000019760347 210296176 /nfs/dbraw/zinc/29/61/76/210296176.db2.gz GNAWNPJTYFOARU-IBGZPJMESA-N 0 3 397.523 2.567 40 0 GFABHN Cc1cc(CCCC(=O)N2CCC(c3nnc4n3CCNCC4)CC2)ccc1F ZINC000019709425 210284263 /nfs/dbraw/zinc/28/42/63/210284263.db2.gz FRVKFPBQVIVKGK-UHFFFAOYSA-N 0 3 399.514 2.600 40 0 GFABHN COCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)no1 ZINC000019593538 210275115 /nfs/dbraw/zinc/27/51/15/210275115.db2.gz OFODWZCGLXLPJN-GOSISDBHSA-N 0 3 394.475 2.979 40 0 GFABHN CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CN(CC2CC2)CCO1 ZINC000019580863 210271201 /nfs/dbraw/zinc/27/12/01/210271201.db2.gz SQISVCFNYPDJMM-HSZRJFAPSA-N 0 3 379.504 2.860 40 0 GFABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)c2nccnc21 ZINC000019583051 210269729 /nfs/dbraw/zinc/26/97/29/210269729.db2.gz JKEPTJROHNSURG-QGZVFWFLSA-N 0 3 384.528 2.674 40 0 GFABHN CN(C)CCn1nc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019583218 210269458 /nfs/dbraw/zinc/26/94/58/210269458.db2.gz KAEBQJXSWUAAHR-QGZVFWFLSA-N 0 3 395.482 2.691 40 0 GFABHN COC(=O)c1cc(S(=O)(=O)NCCCN2CCCCCC2)ccc1Cl ZINC000222536818 553055751 /nfs/dbraw/zinc/05/57/51/553055751.db2.gz DUCWLIWVAVDGBW-UHFFFAOYSA-N 0 3 388.917 2.671 40 0 GFABHN O=C1[C@@H]2C[C@@H](CN2C2CCOCC2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111836 560061078 /nfs/dbraw/zinc/06/10/78/560061078.db2.gz XSHCBNNWVLBFLI-ICSRJNTNSA-N 0 3 379.460 2.629 40 0 biogenic,in-vitro GFABHN CCN(CC)CCCN(C(=S)Nc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000575419953 570307476 /nfs/dbraw/zinc/30/74/76/570307476.db2.gz BMVFTAQAZQXLHP-SFHVURJKSA-N 0 3 397.610 2.913 40 0 GFABHN O=S(=O)(N[C@@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1)C1CC1 ZINC000108526105 570313011 /nfs/dbraw/zinc/31/30/11/570313011.db2.gz XUZVOJLNGQCMJF-MRXNPFEDSA-N 0 3 398.956 2.935 40 0 GFABHN CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCC(N)=O ZINC000007538425 570760434 /nfs/dbraw/zinc/76/04/34/570760434.db2.gz BNFWOOGNRNPXDK-UHFFFAOYSA-N 0 3 378.856 2.901 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218480761 570903452 /nfs/dbraw/zinc/90/34/52/570903452.db2.gz ABQNVLMROCNAHX-IRFCIJBXSA-N 0 3 387.501 2.751 40 0 GFABHN CCN1CCN(C(=O)CNC)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183600 571000617 /nfs/dbraw/zinc/00/06/17/571000617.db2.gz LXKNURZIWQQPRV-OAQYLSRUSA-N 0 3 393.531 2.731 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000328968902 571048035 /nfs/dbraw/zinc/04/80/35/571048035.db2.gz DBDVCMXGJQTKQW-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343443 210241513 /nfs/dbraw/zinc/24/15/13/210241513.db2.gz ALLSOSPSNQLFMS-OAHLLOKOSA-N 0 3 398.532 2.506 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)[n-]c(=O)c2C1 ZINC000019343443 210241518 /nfs/dbraw/zinc/24/15/18/210241518.db2.gz ALLSOSPSNQLFMS-OAHLLOKOSA-N 0 3 398.532 2.506 40 0 GFABHN COc1cc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O ZINC000019129185 210227816 /nfs/dbraw/zinc/22/78/16/210227816.db2.gz IBHKOUIWDFMFLH-HNNXBMFYSA-N 0 3 397.479 2.722 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019014782 210222460 /nfs/dbraw/zinc/22/24/60/210222460.db2.gz UGFWGVJGEUIZLI-GOSISDBHSA-N 0 3 398.551 2.824 40 0 GFABHN O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)[n-]c(=O)c2C1 ZINC000019014782 210222465 /nfs/dbraw/zinc/22/24/65/210222465.db2.gz UGFWGVJGEUIZLI-GOSISDBHSA-N 0 3 398.551 2.824 40 0 GFABHN COc1cc2c(c(-c3c(O)c(OC)cc4c3CN(C)CC4)c1O)CN(C)CC2 ZINC000001719347 209337509 /nfs/dbraw/zinc/33/75/09/209337509.db2.gz IGKVQCQCYJDVAM-UHFFFAOYSA-N 0 3 384.476 2.758 40 0 GFABHN Cc1cccc(CN2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306138727 212052534 /nfs/dbraw/zinc/05/25/34/212052534.db2.gz SFUASXMBNIUGOK-SJORKVTESA-N 0 3 388.475 2.538 40 0 GFABHN CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O ZINC000257282399 212015884 /nfs/dbraw/zinc/01/58/84/212015884.db2.gz OTPFKINUGKQYQW-NJDAHSKKSA-N 0 3 382.508 2.706 40 0 GFABHN COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)nc(C)n1)C2 ZINC000329060277 209159675 /nfs/dbraw/zinc/15/96/75/209159675.db2.gz WKSGWSGFLHHVGB-SFHVURJKSA-N 0 3 384.480 2.563 40 0 GFABHN Cc1nc2cc(Nc3cc(C(F)(F)F)nc(NCCN(C)C)n3)ccc2s1 ZINC000328969977 209153981 /nfs/dbraw/zinc/15/39/81/209153981.db2.gz DHSJHJKHVTZVOU-UHFFFAOYSA-N 0 3 396.442 2.974 40 0 GFABHN COc1cc2c(cc1CN1CCc3nnc([C@H]4CCCCN4)n3CC1)CCC2 ZINC000072372827 211103586 /nfs/dbraw/zinc/10/35/86/211103586.db2.gz CPDXJQCAHUAOFK-LJQANCHMSA-N 0 3 381.524 2.648 40 0 GFABHN COCc1cc(CN2CCC(c3nnc4n3CCNC4)CC2)ccc1OC(C)C ZINC000019711286 210286341 /nfs/dbraw/zinc/28/63/41/210286341.db2.gz QCFUAXHOTCJRMY-UHFFFAOYSA-N 0 3 399.539 2.695 40 0 GFABHN Cc1ccc(C)c([C@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)c1 ZINC000019747512 210292129 /nfs/dbraw/zinc/29/21/29/210292129.db2.gz NFQKMWINVAOFOS-OAQYLSRUSA-N 0 3 383.536 2.767 40 0 GFABHN COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019590295 210273317 /nfs/dbraw/zinc/27/33/17/210273317.db2.gz IPQAPFWTLWADSL-FQEVSTJZSA-N 0 3 380.492 2.769 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCC(c3ncc4c(n3)CCN(C)C4)CC2)c1 ZINC000019590688 210272187 /nfs/dbraw/zinc/27/21/87/210272187.db2.gz JZWAORRFHRBBQM-UHFFFAOYSA-N 0 3 396.491 2.502 40 0 GFABHN COc1ccc(CC(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1F ZINC000019588300 210272031 /nfs/dbraw/zinc/27/20/31/210272031.db2.gz TYWSGTVDLRRNBB-UHFFFAOYSA-N 0 3 398.482 2.561 40 0 GFABHN COc1ccc(CN2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096050256 136183429 /nfs/dbraw/zinc/18/34/29/136183429.db2.gz OJXLQLMMUMNIBL-JOCHJYFZSA-N 0 3 383.467 2.757 40 0 GFABHN COCCOc1cc(CN(C)C[C@@H](O)COC2CCCCC2)ccc1OC ZINC000585262506 570230634 /nfs/dbraw/zinc/23/06/34/570230634.db2.gz HJBIKJFSRFNXRK-GOSISDBHSA-N 0 3 381.513 2.862 40 0 GFABHN CCOCCOc1ccc(CN(C)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000585269847 570238769 /nfs/dbraw/zinc/23/87/69/570238769.db2.gz MCOBDRHABVJJHY-LJQANCHMSA-N 0 3 389.492 2.982 40 0 GFABHN CCN(CC)CCCN(C(=S)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575419952 570307424 /nfs/dbraw/zinc/30/74/24/570307424.db2.gz BMVFTAQAZQXLHP-GOSISDBHSA-N 0 3 397.610 2.913 40 0 GFABHN Cc1ccc(F)cc1CN1CCC2(CC1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000108531560 570313094 /nfs/dbraw/zinc/31/30/94/570313094.db2.gz PTSFKHLYTOSBPR-SFHVURJKSA-N 0 3 396.528 2.730 40 0 GFABHN COc1cc2c(cc1S(=O)(=O)NCCCN1CCC[C@@H](C)C1)CCCC2 ZINC000223250786 570453463 /nfs/dbraw/zinc/45/34/63/570453463.db2.gz XRPPJKPNDFOLHY-MRXNPFEDSA-N 0 3 380.554 2.974 40 0 GFABHN Cc1cc2oc(=O)cc(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c2cc1O ZINC000028571618 570461709 /nfs/dbraw/zinc/46/17/09/570461709.db2.gz ROVPUTKHWZSOSC-GOEBONIOSA-N 0 3 378.428 2.588 40 0 GFABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)COc1ccccc1 ZINC000257243685 570488231 /nfs/dbraw/zinc/48/82/31/570488231.db2.gz IICXXMHWJUPQTL-IBGZPJMESA-N 0 3 381.476 2.871 40 0 GFABHN CN(Cc1ccc(OCCOCCO)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257294128 570488768 /nfs/dbraw/zinc/48/87/68/570488768.db2.gz QSQQVXPOCYTQFO-NRFANRHFSA-N 0 3 398.503 2.522 40 0 GFABHN O=C(NC[C@H]1COc2ccccc2O1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000225270229 570561199 /nfs/dbraw/zinc/56/11/99/570561199.db2.gz OIXYPIICSNIHBB-IBGZPJMESA-N 0 3 384.451 2.994 40 0 GFABHN Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccccc3Cl)n2n1 ZINC000040398388 570602081 /nfs/dbraw/zinc/60/20/81/570602081.db2.gz FTZOMMGZJUQOEA-UHFFFAOYSA-N 0 3 382.855 2.630 40 0 GFABHN COC[C@@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103746 570929095 /nfs/dbraw/zinc/92/90/95/570929095.db2.gz OAVOYDLAPKLRLV-SFHVURJKSA-N 0 3 375.488 2.803 40 0 GFABHN COC[C@H]1CC2(CN1Cc1cccnc1)CCN(C(=O)C1CC(F)C1)CC2 ZINC000585103480 570932038 /nfs/dbraw/zinc/93/20/38/570932038.db2.gz GVNLIOTYWKNFAY-CTWPCTMYSA-N 0 3 375.488 2.659 40 0 GFABHN C=Cn1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019554354 210262218 /nfs/dbraw/zinc/26/22/18/210262218.db2.gz VPAHGOQKBANHBD-QGZVFWFLSA-N 0 3 382.512 2.745 40 0 GFABHN C=Cn1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C ZINC000019554354 210262224 /nfs/dbraw/zinc/26/22/24/210262224.db2.gz VPAHGOQKBANHBD-QGZVFWFLSA-N 0 3 382.512 2.745 40 0 GFABHN Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019556795 210261991 /nfs/dbraw/zinc/26/19/91/210261991.db2.gz OQLDYGGEGQEGRY-VLIAUNLRSA-N 0 3 396.539 2.586 40 0 GFABHN Cc1nn([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)c(C)c1C ZINC000019556163 210261812 /nfs/dbraw/zinc/26/18/12/210261812.db2.gz DZQMUBHFEAZSIZ-ORAYPTAESA-N 0 3 382.512 2.559 40 0 GFABHN COc1ccc(OC)c(CN2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 ZINC000019551439 210260704 /nfs/dbraw/zinc/26/07/04/210260704.db2.gz VSDPLSOZOUQJDT-OAHLLOKOSA-N 0 3 392.459 2.839 40 0 GFABHN CCOc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019533930 210258671 /nfs/dbraw/zinc/25/86/71/210258671.db2.gz RREZKVXKSNYMBL-FDFHNCONSA-N 0 3 396.531 2.956 40 0 GFABHN C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 ZINC000019497122 210252861 /nfs/dbraw/zinc/25/28/61/210252861.db2.gz WTRUZKVVUMXTPP-GJZGRUSLSA-N 0 3 395.507 2.597 40 0 GFABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019499434 210252320 /nfs/dbraw/zinc/25/23/20/210252320.db2.gz BSXALHGRFBSHAG-VQTJNVASSA-N 0 3 396.491 2.652 40 0 GFABHN CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019499435 210252179 /nfs/dbraw/zinc/25/21/79/210252179.db2.gz BSXALHGRFBSHAG-PMACEKPBSA-N 0 3 396.491 2.652 40 0 GFABHN O=C(C1CCN(CCc2ccccn2)CC1)N1CCc2ncc(Cl)cc2C1 ZINC000019401337 210249549 /nfs/dbraw/zinc/24/95/49/210249549.db2.gz XSWQDQXYBHRIDM-UHFFFAOYSA-N 0 3 384.911 2.969 40 0 GFABHN CC(=O)Nc1ccc([C@@H]2CN(Cc3cccc(C)n3)C[C@]23CCCC(=O)N3)cc1 ZINC000019236334 210234314 /nfs/dbraw/zinc/23/43/14/210234314.db2.gz JRFDFXOCCZHNJF-JTHBVZDNSA-N 0 3 392.503 2.987 40 0 GFABHN COc1ccc(CNCCn2nc([C@@H]3CCN(C(C)=O)C3)c3cccnc32)cc1 ZINC000019016574 210221497 /nfs/dbraw/zinc/22/14/97/210221497.db2.gz BGGXWPOLHRNFLL-GOSISDBHSA-N 0 3 393.491 2.566 40 0 GFABHN CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CCN(Cc3ccoc3)CC2)O1 ZINC000306144533 212054695 /nfs/dbraw/zinc/05/46/95/212054695.db2.gz ZICHJTOGLCTLCG-NRFANRHFSA-N 0 3 397.519 2.603 40 0 GFABHN Cn1cc(-c2ccc3nnc(C4CCN(Cc5cccs5)CC4)n3n2)cn1 ZINC000306137960 212052768 /nfs/dbraw/zinc/05/27/68/212052768.db2.gz RLCSMBIVBKBNOC-UHFFFAOYSA-N 0 3 379.493 2.966 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccccc3F)C[C@H]1C2 ZINC000306134748 212050525 /nfs/dbraw/zinc/05/05/25/212050525.db2.gz NXBRFGVAZMRDIU-SJORKVTESA-N 0 3 391.450 2.974 40 0 GFABHN O=C(NCc1cccnc1)c1ncc2n1C[C@H]1CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000306129123 212047758 /nfs/dbraw/zinc/04/77/58/212047758.db2.gz HVCBCEUSPKROKP-MJGOQNOKSA-N 0 3 391.450 2.576 40 0 GFABHN Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3ccccn3)CC2)cc1 ZINC000306125119 212044721 /nfs/dbraw/zinc/04/47/21/212044721.db2.gz CHSBPUARYLWFGB-UHFFFAOYSA-N 0 3 387.487 2.946 40 0 GFABHN Cc1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cn1-c1nccs1 ZINC000096266838 211327736 /nfs/dbraw/zinc/32/77/36/211327736.db2.gz SXGBNDGXYGJHLN-UHFFFAOYSA-N 0 3 394.504 2.848 40 0 GFABHN Cc1noc(C)c1CN1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 ZINC000096242424 211322911 /nfs/dbraw/zinc/32/29/11/211322911.db2.gz RSCRKKKPVRAXSC-UHFFFAOYSA-N 0 3 396.535 2.729 40 0 GFABHN O=S1(=O)NCC2(CCN(CCc3ccccc3)CC2)COc2ccccc21 ZINC000096145084 211307999 /nfs/dbraw/zinc/30/79/99/211307999.db2.gz SZGIOXBQTGFIFY-UHFFFAOYSA-N 0 3 386.517 2.682 40 0 GFABHN Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](C(=O)NCCN3CCCCC3)C2)cc1 ZINC000019745422 210292225 /nfs/dbraw/zinc/29/22/25/210292225.db2.gz GDGOAVBJNMAQBA-LJQANCHMSA-N 0 3 385.552 2.723 40 0 GFABHN COc1ccccc1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1cnc(OC)nc1OC ZINC000019570004 210268520 /nfs/dbraw/zinc/26/85/20/210268520.db2.gz WQTSZKUNBIKKBA-AQKKSAQBSA-N 0 3 399.491 2.622 40 0 GFABHN COc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2Cc2ccccc2)cc(OC)c1 ZINC000019595148 210274420 /nfs/dbraw/zinc/27/44/20/210274420.db2.gz XLNCKDPXAFISKF-QHAWAJNXSA-N 0 3 382.504 2.566 40 0 GFABHN CN1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590354 210271678 /nfs/dbraw/zinc/27/16/78/210271678.db2.gz IULLCCVHGAHVRB-SFHVURJKSA-N 0 3 390.484 2.520 40 0 GFABHN CC1CCCCN1c1nc2c(c(=O)[nH]1)CCN(Cc1ccc3nccnc3c1)C2 ZINC000072347326 136168903 /nfs/dbraw/zinc/16/89/03/136168903.db2.gz SUKQBJSLNICNLE-OAHLLOKOSA-N 0 3 390.491 2.650 40 0 GFABHN O[C@H]1CCN(CC2(O)CCCCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282082 570250080 /nfs/dbraw/zinc/25/00/80/570250080.db2.gz GVPVTTCVVPLFCW-ICSRJNTNSA-N 0 3 383.916 2.602 40 0 GFABHN Cc1csc(Nc2cc([C@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)n1 ZINC000585291782 570260377 /nfs/dbraw/zinc/26/03/77/570260377.db2.gz FZXLDMMOCQOOCX-NFAHFFEMSA-N 0 3 386.525 2.727 40 0 GFABHN CN(C)CCNC(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 ZINC000072356282 570339578 /nfs/dbraw/zinc/33/95/78/570339578.db2.gz NOOOEOVDSISAFS-FQEVSTJZSA-N 0 3 379.504 2.714 40 0 GFABHN C[C@@H](CNC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)N1CCC(C)CC1 ZINC000019496778 570926847 /nfs/dbraw/zinc/92/68/47/570926847.db2.gz QLWVPDSDGXFTOR-YWJTXRPPSA-N 0 3 385.556 2.810 40 0 GFABHN C[C@H](c1cc(=O)[n-]c(NCC(C)(C)C[NH+](C)C)n1)n1ncc2ccccc2c1=O ZINC000019717574 571040347 /nfs/dbraw/zinc/04/03/47/571040347.db2.gz IFRRIYJCALANCN-CQSZACIVSA-N 0 3 396.495 2.501 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)n1 ZINC000019572902 210268011 /nfs/dbraw/zinc/26/80/11/210268011.db2.gz IWZCHNXLAKDKNH-PXNSSMCTSA-N 0 3 396.539 2.983 40 0 GFABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 ZINC000019575300 210267106 /nfs/dbraw/zinc/26/71/06/210267106.db2.gz SXYSQLFCCAYPMQ-NSISKUIASA-N 0 3 389.927 2.860 40 0 GFABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 ZINC000019565116 210266422 /nfs/dbraw/zinc/26/64/22/210266422.db2.gz LGBURAPANSMIAJ-QGZVFWFLSA-N 0 3 399.491 2.660 40 0 GFABHN CCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1)CCCC2 ZINC000019524086 210256729 /nfs/dbraw/zinc/25/67/29/210256729.db2.gz HSVFUBNLYNNIQJ-UHFFFAOYSA-N 0 3 381.524 2.913 40 0 GFABHN CCOc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019520048 210255376 /nfs/dbraw/zinc/25/53/76/210255376.db2.gz GBTKZCKAIHXMND-UHFFFAOYSA-N 0 3 380.492 2.883 40 0 GFABHN C[C@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 ZINC000019497928 210252557 /nfs/dbraw/zinc/25/25/57/210252557.db2.gz SHPAOOXBTXFXTM-RDJZCZTQSA-N 0 3 392.503 2.808 40 0 GFABHN O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@H]3CC[N@H+](Cc4cccs4)C3)nc2C1 ZINC000019343395 210241993 /nfs/dbraw/zinc/24/19/93/210241993.db2.gz FADMKYRVQMEWAR-HNNXBMFYSA-N 0 3 398.532 2.506 40 0 GFABHN O=C(C1CCC1)N1CCc2c(=O)[n-]c([C@H]3CC[N@@H+](Cc4cccs4)C3)nc2C1 ZINC000019343395 210241996 /nfs/dbraw/zinc/24/19/96/210241996.db2.gz FADMKYRVQMEWAR-HNNXBMFYSA-N 0 3 398.532 2.506 40 0 GFABHN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019211494 210232021 /nfs/dbraw/zinc/23/20/21/210232021.db2.gz VLWBYHYXKZYGKG-IBGZPJMESA-N 0 3 386.521 2.689 40 0 GFABHN CC(=O)NCCn1nc([C@H]2CCN(Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019021588 210223965 /nfs/dbraw/zinc/22/39/65/210223965.db2.gz SACJJKJDZRKCDU-INIZCTEOSA-N 0 3 398.898 2.605 40 0 GFABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019078498 210223679 /nfs/dbraw/zinc/22/36/79/210223679.db2.gz RPDOHJNRDBCLNW-JKSUJKDBSA-N 0 3 398.482 2.777 40 0 GFABHN C[C@H](Oc1ccc(F)cc1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019079468 210223208 /nfs/dbraw/zinc/22/32/08/210223208.db2.gz BLQXLSGGPUNINR-HNNXBMFYSA-N 0 3 398.482 2.777 40 0 GFABHN COCCN1CC[C@@]2(CN(Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140953 212052779 /nfs/dbraw/zinc/05/27/79/212052779.db2.gz VHMMBLHRYJUDKO-RXVVDRJESA-N 0 3 386.496 2.522 40 0 GFABHN CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@@]12CN(C[C@@H]1CC=CCC1)CCO2 ZINC000306123911 212045007 /nfs/dbraw/zinc/04/50/07/212045007.db2.gz BAHBELYJQDXKMC-VAMGGRTRSA-N 0 3 384.586 2.932 40 0 GFABHN CS(=O)(=O)c1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096269396 211968535 /nfs/dbraw/zinc/96/85/35/211968535.db2.gz SCRUVXXEWVRLFT-SFHVURJKSA-N 0 3 397.500 2.642 40 0 biogenic,in-vitro GFABHN CSc1ccccc1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000328993130 209156016 /nfs/dbraw/zinc/15/60/16/209156016.db2.gz IZBWBDYGUUIRMS-UHFFFAOYSA-N 0 3 380.521 2.821 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccn2)n1 ZINC000328994388 209156086 /nfs/dbraw/zinc/15/60/86/209156086.db2.gz JCYFWJKPDWFKJM-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN Cc1ccc(CN2CCOC[C@@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240542 211322616 /nfs/dbraw/zinc/32/26/16/211322616.db2.gz WTKUHAUXRWMBPI-YLJYHZDGSA-N 0 3 388.537 2.875 40 0 GFABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076236 211298862 /nfs/dbraw/zinc/29/88/62/211298862.db2.gz YWUQAUHYHWUCHU-FQEVSTJZSA-N 0 3 390.915 2.951 40 0 GFABHN O=C(c1cc[nH]n1)N1CCN(Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355192 211099168 /nfs/dbraw/zinc/09/91/68/211099168.db2.gz XWGBNMWZQMJCJL-IBGZPJMESA-N 0 3 375.476 2.622 40 0 GFABHN O=C(c1ccn[nH]1)N1CCN(Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355192 211099171 /nfs/dbraw/zinc/09/91/71/211099171.db2.gz XWGBNMWZQMJCJL-IBGZPJMESA-N 0 3 375.476 2.622 40 0 GFABHN COCCN1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(OC)cc2)CC1 ZINC000019759124 210292693 /nfs/dbraw/zinc/29/26/93/210292693.db2.gz UQICNJAPIBWWPP-UHFFFAOYSA-N 0 3 386.496 2.582 40 0 GFABHN Cc1nccn1C[C@@H]1CCCN(CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657946 210276723 /nfs/dbraw/zinc/27/67/23/210276723.db2.gz VTMWOZNBGLERHD-GOSISDBHSA-N 0 3 378.480 2.728 40 0 GFABHN COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1 ZINC000073257867 222268967 /nfs/dbraw/zinc/26/89/67/222268967.db2.gz CGPNWVMBMDTTMA-NHCUHLMSSA-N 0 3 398.503 2.839 40 0 GFABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 ZINC000218566820 553053727 /nfs/dbraw/zinc/05/37/27/553053727.db2.gz JZWLTCJZSATAHA-FHWLQOOXSA-N 0 3 379.909 2.780 40 0 GFABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218502861 553053892 /nfs/dbraw/zinc/05/38/92/553053892.db2.gz KAYIDUZEWTVDAI-MSOLQXFVSA-N 0 3 378.925 2.746 40 0 GFABHN CN(Cc1ccc(OCCF)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585269600 570237390 /nfs/dbraw/zinc/23/73/90/570237390.db2.gz ALXIQMVVPBITKH-HXUWFJFHSA-N 0 3 377.435 2.642 40 0 GFABHN COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000224516329 570515987 /nfs/dbraw/zinc/51/59/87/570515987.db2.gz FHCCUYQADXZTHB-UHFFFAOYSA-N 0 3 378.469 2.909 40 0 GFABHN Cc1nc2nc3ccn(CCN(C)C)c(=O)c3c(-c3ccc(Cl)cc3)n2n1 ZINC000038828865 570584192 /nfs/dbraw/zinc/58/41/92/570584192.db2.gz FYCPFMWBPODKJK-UHFFFAOYSA-N 0 3 382.855 2.630 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104566 570933703 /nfs/dbraw/zinc/93/37/03/570933703.db2.gz QJIQCHIWWZSYJA-HLAWJBBLSA-N 0 3 386.536 2.709 40 0 GFABHN CC(C)N(C)CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 ZINC000585110344 570939656 /nfs/dbraw/zinc/93/96/56/570939656.db2.gz HSTUIXIRSBJPFR-UHFFFAOYSA-N 0 3 382.508 2.669 40 0 GFABHN CCN1CCN(CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172747 570997677 /nfs/dbraw/zinc/99/76/77/570997677.db2.gz DGSUSZFUKKEHLZ-OAQYLSRUSA-N 0 3 393.531 2.860 40 0 GFABHN CCOc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)cc1 ZINC000019533096 210259346 /nfs/dbraw/zinc/25/93/46/210259346.db2.gz NDBRSLCDRDTHGS-UHFFFAOYSA-N 0 3 394.519 2.860 40 0 GFABHN CCOc1cc2c(cc1CN1C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C1)OCO2 ZINC000019532511 210258998 /nfs/dbraw/zinc/25/89/98/210258998.db2.gz WXCCUYVVRTVTTH-JIGPKXGUSA-N 0 3 382.460 2.939 40 0 GFABHN CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019533024 210258956 /nfs/dbraw/zinc/25/89/56/210258956.db2.gz XHUNEXGBMCXAIZ-SFHVURJKSA-N 0 3 394.519 2.812 40 0 GFABHN CCN(CC)c1ncc2c(cc(C3CCN(Cc4cnn(C)c4)CC3)[nH]c2=O)n1 ZINC000019526560 210255843 /nfs/dbraw/zinc/25/58/43/210255843.db2.gz VOEGLWUSLPDNAA-UHFFFAOYSA-N 0 3 395.511 2.690 40 0 GFABHN CN(C)CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)ncn1 ZINC000329062898 231047786 /nfs/dbraw/zinc/04/77/86/231047786.db2.gz XADNDXKVNAAOHZ-UHFFFAOYSA-N 0 3 381.402 2.911 40 0 GFABHN O=C(COc1ccc(F)cc1F)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019293074 210240286 /nfs/dbraw/zinc/24/02/86/210240286.db2.gz GLJSETZCPDXQRP-KRWDZBQOSA-N 0 3 388.418 2.533 40 0 GFABHN Cc1ccc(O[C@H](C)C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)cc1 ZINC000019210918 210230731 /nfs/dbraw/zinc/23/07/31/210230731.db2.gz YXMHQWALOFUHIL-QGZVFWFLSA-N 0 3 394.519 2.946 40 0 GFABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)cc1 ZINC000019135907 210227895 /nfs/dbraw/zinc/22/78/95/210227895.db2.gz SCTPXFWAHVPNQQ-SJLPKXTDSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@H+](C)CC4)C2)cc1 ZINC000019135907 210227899 /nfs/dbraw/zinc/22/78/99/210227899.db2.gz SCTPXFWAHVPNQQ-SJLPKXTDSA-N 0 3 394.519 2.576 40 0 GFABHN Cc1ccc([C@@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019135907 210227903 /nfs/dbraw/zinc/22/79/03/210227903.db2.gz SCTPXFWAHVPNQQ-SJLPKXTDSA-N 0 3 394.519 2.576 40 0 GFABHN CN1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)ncc2C1 ZINC000019083639 210225034 /nfs/dbraw/zinc/22/50/34/210225034.db2.gz NFOUQJZMVXMVOW-KRWDZBQOSA-N 0 3 382.512 2.853 40 0 GFABHN COc1cccc(CN2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000019021826 210223782 /nfs/dbraw/zinc/22/37/82/210223782.db2.gz VCNLBHMBZRSNEZ-GOSISDBHSA-N 0 3 393.491 2.566 40 0 GFABHN C[C@@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1 ZINC000019080243 210222989 /nfs/dbraw/zinc/22/29/89/210222989.db2.gz ACZNJOWTDHNDEX-HNNXBMFYSA-N 0 3 396.520 2.669 40 0 GFABHN COc1cccc(CN2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 ZINC000019018403 210221431 /nfs/dbraw/zinc/22/14/31/210221431.db2.gz KYVUJIKHMRNMBX-SFHVURJKSA-N 0 3 380.492 2.769 40 0 GFABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(C1CCC1)C[C@H]2c1cccnc1 ZINC000306141424 212055287 /nfs/dbraw/zinc/05/52/87/212055287.db2.gz VVQFIAMMUKICLE-FPOVZHCZSA-N 0 3 383.517 2.893 40 0 GFABHN O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@H]1C2 ZINC000306126736 212045219 /nfs/dbraw/zinc/04/52/19/212045219.db2.gz FDTMVAHGIMXNTE-CVEARBPZSA-N 0 3 379.489 2.896 40 0 GFABHN CCN(CC)C(=O)CN1CCC(c2cc(Nc3ncccn3)cc(C)n2)CC1 ZINC000257310994 212021873 /nfs/dbraw/zinc/02/18/73/212021873.db2.gz UHLVJRPAHTUZAC-UHFFFAOYSA-N 0 3 382.512 2.971 40 0 GFABHN Cc1cc(Nc2cc(CC3CCN(C(=O)[C@@H](N)CC(C)C)CC3)nc(C)n2)n[nH]1 ZINC000257245230 212010280 /nfs/dbraw/zinc/01/02/80/212010280.db2.gz IOPSSECZWFZYQX-SFHVURJKSA-N 0 3 399.543 2.715 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1F ZINC000257228000 212006502 /nfs/dbraw/zinc/00/65/02/212006502.db2.gz FRXUHJHUQJIDTP-XLIONFOSSA-N 0 3 375.488 2.678 40 0 GFABHN COc1ccc(CN2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@@H]3C2)cc1F ZINC000096245539 211325479 /nfs/dbraw/zinc/32/54/79/211325479.db2.gz MCGKZBTZBNOGIT-OALUTQOASA-N 0 3 383.467 2.752 40 0 GFABHN CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1CN(Cc1ccncc1)CCC2 ZINC000096056049 211299426 /nfs/dbraw/zinc/29/94/26/211299426.db2.gz KNKHIZLNYQDTIQ-UGKGYDQZSA-N 0 3 380.492 2.758 40 0 GFABHN O=C(NCCN1CCCCC1)[C@H]1C[C@H]2CC[C@@H]1C[C@]21NC(=O)c2ccccc2O1 ZINC000072339089 211092915 /nfs/dbraw/zinc/09/29/15/211092915.db2.gz FKCUFWNDTOMWDZ-MOOKXKAQSA-N 0 3 397.519 2.543 40 0 GFABHN CCN1CCC[C@@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 ZINC000019655475 210276762 /nfs/dbraw/zinc/27/67/62/210276762.db2.gz SXGSVCQOAWSQSQ-QGZVFWFLSA-N 0 3 392.507 2.748 40 0 GFABHN COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590633 210272928 /nfs/dbraw/zinc/27/29/28/210272928.db2.gz ONWWTOFPIBSJMF-ZDUSSCGKSA-N 0 3 386.883 2.756 40 0 GFABHN CN1CCc2nc([C@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 ZINC000019590503 210272485 /nfs/dbraw/zinc/27/24/85/210272485.db2.gz PFTYEGPISJSKEX-LJQANCHMSA-N 0 3 390.491 2.637 40 0 GFABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)[n-]c(=O)c2C1 ZINC000019590240 210271746 /nfs/dbraw/zinc/27/17/46/210271746.db2.gz QIPDZSRJIIWDFN-KRWDZBQOSA-N 0 3 380.492 2.509 40 0 GFABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)[n-]c(=O)c2C1 ZINC000019590240 210271748 /nfs/dbraw/zinc/27/17/48/210271748.db2.gz QIPDZSRJIIWDFN-KRWDZBQOSA-N 0 3 380.492 2.509 40 0 GFABHN COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019590632 210271835 /nfs/dbraw/zinc/27/18/35/210271835.db2.gz ONWWTOFPIBSJMF-CYBMUJFWSA-N 0 3 386.883 2.756 40 0 GFABHN CC1=C[C@@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C ZINC000030880375 560089878 /nfs/dbraw/zinc/08/98/78/560089878.db2.gz AZYFBPHCLITMSJ-FHWLQOOXSA-N 0 3 389.540 2.932 40 0 biogenic,in-vitro GFABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2cccnc2)n1 ZINC000329006801 570211864 /nfs/dbraw/zinc/21/18/64/570211864.db2.gz LFPIUVFIHZRYQV-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000222997660 570436041 /nfs/dbraw/zinc/43/60/41/570436041.db2.gz JUHOUEKFSHQQOD-RBUKOAKNSA-N 0 3 379.489 2.886 40 0 GFABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000225618519 570594786 /nfs/dbraw/zinc/59/47/86/570594786.db2.gz FCUDICJRXRDPNG-MRXNPFEDSA-N 0 3 382.526 2.715 40 0 GFABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(NCCCOC(C)C)n2)c1 ZINC000012220257 570627678 /nfs/dbraw/zinc/62/76/78/570627678.db2.gz IKMGAAPKWZQLOM-ZWKOTPCHSA-N 0 3 386.496 2.888 40 0 GFABHN Cc1c2ccccc2[nH]c1CN1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 ZINC000012366076 570647181 /nfs/dbraw/zinc/64/71/81/570647181.db2.gz WWZZKLSNTFSEKT-NHJWOMDBSA-N 0 3 392.503 2.900 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C[C@H]1CCCO1 ZINC000260921127 570714507 /nfs/dbraw/zinc/71/45/07/570714507.db2.gz OMIFSMXLCBXSCY-AHRSYUTCSA-N 0 3 399.564 2.596 40 0 GFABHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1cccnc1 ZINC000007276825 570757610 /nfs/dbraw/zinc/75/76/10/570757610.db2.gz UGAQTAFEGJDQFL-LBPRGKRZSA-N 0 3 381.270 2.902 40 0 GFABHN CO[C@H]1CC[C@H](C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1 ZINC000257204257 570888259 /nfs/dbraw/zinc/88/82/59/570888259.db2.gz ATSPNJYHGGRMPU-BZSNNMDCSA-N 0 3 399.539 2.514 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218564039 570928663 /nfs/dbraw/zinc/92/86/63/570928663.db2.gz ITJLHESTTAYOET-ZJOUEHCJSA-N 0 3 387.501 2.697 40 0 GFABHN CN(C)CCNc1nc(NCc2ccc(Br)cc2)cc(C2CC2)n1 ZINC000329046001 212094400 /nfs/dbraw/zinc/09/44/00/212094400.db2.gz TYUYXDZNUODASE-UHFFFAOYSA-N 0 3 390.329 2.546 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)cc(F)cc2F)cc(-c2ccccn2)n1 ZINC000328981674 212092836 /nfs/dbraw/zinc/09/28/36/212092836.db2.gz GVHDGEKLUYJNKP-UHFFFAOYSA-N 0 3 388.397 2.517 40 0 GFABHN CN(C)CCNc1nc(NCc2cccc(Br)c2)cc(C2CC2)n1 ZINC000329044235 212095026 /nfs/dbraw/zinc/09/50/26/212095026.db2.gz SVKHYUXPDSGOKK-UHFFFAOYSA-N 0 3 390.329 2.546 40 0 GFABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)CC1 ZINC000019083687 221396641 /nfs/dbraw/zinc/39/66/41/221396641.db2.gz CWSPRLMLYFJBTQ-UHFFFAOYSA-N 0 3 382.512 2.505 40 0 GFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1ccc(C)cc1 ZINC000020636715 221506027 /nfs/dbraw/zinc/50/60/27/221506027.db2.gz PGVANTOMROFXNR-PMACEKPBSA-N 0 3 391.471 2.760 40 0 GFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000072345950 222232529 /nfs/dbraw/zinc/23/25/29/222232529.db2.gz ZAMIOBQTWYYTEH-GOSISDBHSA-N 0 3 388.475 2.599 40 0 GFABHN C[C@@H]1C[C@H](C)CN(CCNC(=O)c2cccc(I)c2)C1 ZINC000048482611 551157069 /nfs/dbraw/zinc/15/70/69/551157069.db2.gz KBXWDANGSICLBI-BETUJISGSA-N 0 3 386.277 2.999 40 0 GFABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)CN)cc1 ZINC000218503084 553053736 /nfs/dbraw/zinc/05/37/36/553053736.db2.gz KAYIDUZEWTVDAI-ZWKOTPCHSA-N 0 3 378.925 2.746 40 0 GFABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000242575104 553087941 /nfs/dbraw/zinc/08/79/41/553087941.db2.gz NSDWPWFPWWQESM-ZACQAIPSSA-N 0 3 386.300 2.871 40 0 GFABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2F)cc(-c2cccnc2)n1 ZINC000329011389 570212144 /nfs/dbraw/zinc/21/21/44/570212144.db2.gz MDTQJAHMLQMLMC-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)NCC2CC2)Cn2ccnc23)cc1 ZINC000096243589 570223341 /nfs/dbraw/zinc/22/33/41/570223341.db2.gz GIEHPJHQJNIJBJ-HXUWFJFHSA-N 0 3 394.519 2.608 40 0 GFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C[C@@H]1CCCO1 ZINC000223261675 570454326 /nfs/dbraw/zinc/45/43/26/570454326.db2.gz OMIFSMXLCBXSCY-VDGAXYAQSA-N 0 3 399.564 2.596 40 0 GFABHN OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223607354 570474064 /nfs/dbraw/zinc/47/40/64/570474064.db2.gz ALMUQAHYZXNWPE-RTBURBONSA-N 0 3 379.489 2.622 40 0 GFABHN COC(=O)C1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000044914566 570642929 /nfs/dbraw/zinc/64/29/29/570642929.db2.gz QYNRKTDUNSZQSK-KRWDZBQOSA-N 0 3 378.900 2.964 40 0 GFABHN Cc1ncsc1CN1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257242406 570768346 /nfs/dbraw/zinc/76/83/46/570768346.db2.gz ICIHNJVDWPGWFF-AWEZNQCLSA-N 0 3 384.509 2.576 40 0 GFABHN Cc1ncc(-c2ccc(C[C@H]3CCCN(C(=O)C4CCN(C)CC4)C3)cn2)n1C ZINC000257248596 570770175 /nfs/dbraw/zinc/77/01/75/570770175.db2.gz JEJBEYFISGWSMC-LJQANCHMSA-N 0 3 395.551 2.913 40 0 GFABHN Cc1cccc(C(=O)N2CCC3(CO[C@@H](CN4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103673 570929196 /nfs/dbraw/zinc/92/91/96/570929196.db2.gz IAJKDPGQRAJEKT-HMXCVIKNSA-N 0 3 386.536 2.709 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218598454 570931625 /nfs/dbraw/zinc/93/16/25/570931625.db2.gz NHVPZIMWEBWGRF-BJLQDIEVSA-N 0 3 391.464 2.582 40 0 GFABHN COCCN1CC[C@@]2(CN(Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129920 570938742 /nfs/dbraw/zinc/93/87/42/570938742.db2.gz IQQLTRAKSMRJIT-NQIIRXRSSA-N 0 3 386.496 2.522 40 0 GFABHN CCCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2cccc(F)c2)CC1 ZINC000306136716 570942897 /nfs/dbraw/zinc/94/28/97/570942897.db2.gz QAZJOJBYDDPQGC-UHFFFAOYSA-N 0 3 385.487 2.786 40 0 GFABHN O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1CN(Cc3ccsc3)C[C@@H]1C2 ZINC000306136302 570942916 /nfs/dbraw/zinc/94/29/16/570942916.db2.gz PPHRVOQDFNNJEP-ROUUACIJSA-N 0 3 393.516 2.574 40 0 GFABHN O=C1N(Cc2ccsc2)CCO[C@@]12CN(CC1CC1)C[C@H]2c1cccnc1 ZINC000306140245 570944859 /nfs/dbraw/zinc/94/48/59/570944859.db2.gz UNVDHILINJPFTH-PZJWPPBQSA-N 0 3 383.517 2.750 40 0 GFABHN COCCN1CC[C@]2(CN(Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140954 570944862 /nfs/dbraw/zinc/94/48/62/570944862.db2.gz VHMMBLHRYJUDKO-WIYYLYMNSA-N 0 3 386.496 2.522 40 0 GFABHN Cc1cnc(-c2nnc([C@@H]3CCN(C(=O)c4ccc(CN(C)C)cc4)C3)o2)cn1 ZINC000019239164 570968393 /nfs/dbraw/zinc/96/83/93/570968393.db2.gz JQCRSEQGOGXCMP-QGZVFWFLSA-N 0 3 392.463 2.526 40 0 GFABHN COc1ccc2c(c1)C=C(CN1CCc3nc([C@H]4CCCN4)ncc3C1)CO2 ZINC000019562266 571005930 /nfs/dbraw/zinc/00/59/30/571005930.db2.gz LNMFEQOVCGWJOU-HXUWFJFHSA-N 0 3 378.476 2.744 40 0 GFABHN O=C(N1CCC[C@@H]1c1nnc2n1CCNCC2)C1(c2ccccc2F)CCCC1 ZINC000019710746 571034757 /nfs/dbraw/zinc/03/47/57/571034757.db2.gz AORYMSHTPGUESU-GOSISDBHSA-N 0 3 397.498 2.738 40 0 GFABHN CN1CCC(c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)CC1 ZINC000019711251 571035185 /nfs/dbraw/zinc/03/51/85/571035185.db2.gz JWMOUAKQBQYJRC-UHFFFAOYSA-N 0 3 392.507 2.544 40 0 GFABHN CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CCCC1)C2 ZINC000306140409 222803235 /nfs/dbraw/zinc/80/32/35/222803235.db2.gz USWWKDNKQHNCOF-UHFFFAOYSA-N 0 3 378.538 2.972 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329002761 212092775 /nfs/dbraw/zinc/09/27/75/212092775.db2.gz KIMGATYWALRWBM-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN CN(CCO)Cc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186491 221164302 /nfs/dbraw/zinc/16/43/02/221164302.db2.gz HBBXPGROAJQROC-UHFFFAOYSA-N 0 3 392.434 2.944 40 0 GFABHN Cc1ccc([C@@H]2CCCN2C(=O)C2CN(C(=O)C3CCN(C)CC3)C2)cc1C ZINC000072344551 222233599 /nfs/dbraw/zinc/23/35/99/222233599.db2.gz LBRDXZBYXKZNFQ-NRFANRHFSA-N 0 3 383.536 2.767 40 0 GFABHN CCN(CC)C(=O)[C@@H]1CCC[C@@H](NCc2cccc(OC)c2)CN(C)C(=O)C1 ZINC000096113424 222381090 /nfs/dbraw/zinc/38/10/90/222381090.db2.gz VSUQLSPFBKRGHL-RTBURBONSA-N 0 3 389.540 2.670 40 0 biogenic,in-vitro GFABHN COc1ccc(CN(C)[C@@H]2CN(Cc3ccc(OCCF)cc3)C[C@H]2O)cc1 ZINC000585269636 570237359 /nfs/dbraw/zinc/23/73/59/570237359.db2.gz FCDINDUPUVRUCJ-FGZHOGPDSA-N 0 3 388.483 2.721 40 0 GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccc(F)cc1 ZINC000020636736 570273767 /nfs/dbraw/zinc/27/37/67/570273767.db2.gz PZPLRGQCASCTNS-MOPGFXCFSA-N 0 3 395.434 2.590 40 0 GFABHN Cc1c[nH]c(-c2cc(C)nc(CC3CCN(C(=O)C4CCN(C)CC4)CC3)n2)n1 ZINC000257262365 570771910 /nfs/dbraw/zinc/77/19/10/570771910.db2.gz LLDJQGOQHXIACG-UHFFFAOYSA-N 0 3 396.539 2.606 40 0 GFABHN Cc1c(C(=O)N2CCCC[C@@H]3N(C)CCC[C@@]32C)sc2ncn(C)c(=O)c12 ZINC000257271209 570773624 /nfs/dbraw/zinc/77/36/24/570773624.db2.gz MXIBMHGZEWACHM-XOBRGWDASA-N 0 3 388.537 2.782 40 0 GFABHN CCn1c2ccc(CN3CC[C@H]4[C@H]3CCCCC(=O)N4C)cc2n(CC)c1=O ZINC000257303810 570778621 /nfs/dbraw/zinc/77/86/21/570778621.db2.gz SIUSYGKXCLBJBD-ZWKOTPCHSA-N 0 3 384.524 2.818 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccccc1F ZINC000257313276 570779807 /nfs/dbraw/zinc/77/98/07/570779807.db2.gz URQFUXRMTBRMTE-XLIONFOSSA-N 0 3 375.488 2.727 40 0 GFABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000119910595 570924723 /nfs/dbraw/zinc/92/47/23/570924723.db2.gz OBOKAMDNZPWDRN-NSHDSACASA-N 0 3 377.794 2.898 40 0 GFABHN CCOC(=O)[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218526910 570924923 /nfs/dbraw/zinc/92/49/23/570924923.db2.gz DFNOHQDZDNWXQD-ZIFCJYIRSA-N 0 3 393.892 2.788 40 0 GFABHN c1ccc([C@@H](c2nnnn2C[C@H]2CCCO2)N2CCN(C3CCCC3)CC2)cc1 ZINC000019369613 570925294 /nfs/dbraw/zinc/92/52/94/570925294.db2.gz RCRASJLIYQLENX-RTWAWAEBSA-N 0 3 396.539 2.502 40 0 GFABHN COc1ncccc1CN1C[C@@H](c2ccnn2C(C)C)[C@]2(C1)CCCN(C)C2=O ZINC000306124094 570935669 /nfs/dbraw/zinc/93/56/69/570935669.db2.gz BFZDMBJOFHGQCF-PGRDOPGGSA-N 0 3 397.523 2.706 40 0 GFABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 ZINC000306132128 570940298 /nfs/dbraw/zinc/94/02/98/570940298.db2.gz KZPQLDUQCZQPLZ-MRXNPFEDSA-N 0 3 379.451 2.566 40 0 GFABHN COc1cccc(CN2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)c1 ZINC000306134708 570941637 /nfs/dbraw/zinc/94/16/37/570941637.db2.gz NVSTWPPOUOVSSZ-UHFFFAOYSA-N 0 3 397.523 2.654 40 0 GFABHN CC(C)N1CCc2c(c(=O)nc3n2CCC32CCN(Cc3ccco3)CC2)C1 ZINC000306139956 570944276 /nfs/dbraw/zinc/94/42/76/570944276.db2.gz UFFQECUEUDUKPB-UHFFFAOYSA-N 0 3 382.508 2.540 40 0 GFABHN Cn1cc(CCC(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)c2ccccc21 ZINC000019290410 570971993 /nfs/dbraw/zinc/97/19/93/570971993.db2.gz ZQEGZWRFPZIOFY-OAQYLSRUSA-N 0 3 389.503 2.910 40 0 GFABHN CC(C)[N@@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3F)[n-]c(=O)c2C1 ZINC000019448279 570984417 /nfs/dbraw/zinc/98/44/17/570984417.db2.gz PJRTXSDZABUZAG-LJQANCHMSA-N 0 3 398.482 2.582 40 0 GFABHN CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3F)[n-]c(=O)c2C1 ZINC000019448279 570984421 /nfs/dbraw/zinc/98/44/21/570984421.db2.gz PJRTXSDZABUZAG-LJQANCHMSA-N 0 3 398.482 2.582 40 0 GFABHN C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)c2C1 ZINC000019497119 570989808 /nfs/dbraw/zinc/98/98/08/570989808.db2.gz WTRUZKVVUMXTPP-HUUCEWRRSA-N 0 3 395.507 2.597 40 0 GFABHN CCc1nccn1CC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019523485 570995979 /nfs/dbraw/zinc/99/59/79/570995979.db2.gz NRHJDJFQQZVERP-UHFFFAOYSA-N 0 3 382.508 2.768 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183608 571000514 /nfs/dbraw/zinc/00/05/14/571000514.db2.gz MNLYPVVGMZKWMC-LJQANCHMSA-N 0 3 397.494 2.691 40 0 GFABHN Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019572951 571010491 /nfs/dbraw/zinc/01/04/91/571010491.db2.gz RAUMBXGHZARRDO-ZWKOTPCHSA-N 0 3 396.539 2.635 40 0 GFABHN COc1ccc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1CN(C)C ZINC000019583402 571014173 /nfs/dbraw/zinc/01/41/73/571014173.db2.gz CCMXXNQSHNQRIP-GOSISDBHSA-N 0 3 396.535 2.639 40 0 GFABHN CN(C)CCn1nc([C@H]2CCN(C(=O)Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019583228 571014272 /nfs/dbraw/zinc/01/42/72/571014272.db2.gz HLNUJZRIGIXBIY-KRWDZBQOSA-N 0 3 395.482 2.691 40 0 GFABHN CN(C)c1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)cc1 ZINC000019590444 571017995 /nfs/dbraw/zinc/01/79/95/571017995.db2.gz PNIGIWVIUSZDFU-QGZVFWFLSA-N 0 3 379.508 2.550 40 0 GFABHN O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(NCC2CCOCC2)[n-]1 ZINC000019717480 571040165 /nfs/dbraw/zinc/04/01/65/571040165.db2.gz DPMUSAMCKLMOAQ-UHFFFAOYSA-N 0 3 383.496 2.795 40 0 GFABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(O)ccc2O3)c1 ZINC000012330106 221183100 /nfs/dbraw/zinc/18/31/00/221183100.db2.gz DIXBVXAXHALXCO-PMACEKPBSA-N 0 3 385.460 2.785 40 0 GFABHN COc1ccc(CN2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000019021808 221394748 /nfs/dbraw/zinc/39/47/48/221394748.db2.gz PDGYQJLCGXUTSE-GOSISDBHSA-N 0 3 393.491 2.566 40 0 GFABHN Cc1cc(Nc2cc([C@@H]3CCCN(C(=O)C4CCN(C)CC4)C3)nc(C)n2)n[nH]1 ZINC000072360853 222240762 /nfs/dbraw/zinc/24/07/62/222240762.db2.gz SWRXHCVAZFDEFS-QGZVFWFLSA-N 0 3 397.527 2.608 40 0 GFABHN CC(=O)N1CCn2c(nnc2[C@@H]2CCCN(Cc3ccnc4ccccc34)C2)C1 ZINC000072372129 222242029 /nfs/dbraw/zinc/24/20/29/222242029.db2.gz IVWOFVJHEDGPLP-GOSISDBHSA-N 0 3 390.491 2.568 40 0 GFABHN Fc1ccc(-c2cc(CNC[C@H]3COc4ccccc4O3)c3nnnn3c2)cc1 ZINC000072392374 222248049 /nfs/dbraw/zinc/24/80/49/222248049.db2.gz ZGVFUJBFSUKNCD-SFHVURJKSA-N 0 3 391.406 2.860 40 0 GFABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(CN)CO)cc1 ZINC000242543434 553087809 /nfs/dbraw/zinc/08/78/09/553087809.db2.gz JZWLTCJZSATAHA-GUDVDZBRSA-N 0 3 379.909 2.780 40 0 GFABHN COc1ccc(CN2CC[C@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244071 570223819 /nfs/dbraw/zinc/22/38/19/570223819.db2.gz XVVYLVXFSBIPGI-QFIPXVFZSA-N 0 3 380.492 2.981 40 0 GFABHN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(Cc1ccccn1)CC2 ZINC000096260571 570225753 /nfs/dbraw/zinc/22/57/53/570225753.db2.gz YGRRCZPODCEAKN-UHFFFAOYSA-N 0 3 379.508 2.601 40 0 GFABHN Cc1cc(OC[C@]2(O)COCCN(CC3(O)CCCCCC3)C2)ccc1F ZINC000585282708 570250939 /nfs/dbraw/zinc/25/09/39/570250939.db2.gz NBABSQRTGNPWJB-OAQYLSRUSA-N 0 3 381.488 2.662 40 0 GFABHN Cc1cccnc1Nc1cc([C@H]2CCN(C(=O)/C=C/CN(C)C)C2)nc(C)n1 ZINC000585293274 570262644 /nfs/dbraw/zinc/26/26/44/570262644.db2.gz YYPRKLONIKQGHU-JKNJVXJCSA-N 0 3 380.496 2.666 40 0 GFABHN CCOC(=O)[C@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(C)c1 ZINC000020636889 570273857 /nfs/dbraw/zinc/27/38/57/570273857.db2.gz XOOXWDQEPNQMHK-UXHICEINSA-N 0 3 391.471 2.760 40 0 GFABHN COc1ccc(F)cc1S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000224801314 570531358 /nfs/dbraw/zinc/53/13/58/570531358.db2.gz QXMAXPSIEKWKJG-UHFFFAOYSA-N 0 3 378.469 2.909 40 0 GFABHN CC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4cccc(OC)c4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257200788 570760016 /nfs/dbraw/zinc/76/00/16/570760016.db2.gz AEWYPMIBGWAFKD-BJZZIADLSA-N 0 3 388.508 2.898 40 0 GFABHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257223569 570763058 /nfs/dbraw/zinc/76/30/58/570763058.db2.gz DXYNWUQHGAAKHK-YRXWBPOGSA-N 0 3 376.497 2.946 40 0 GFABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000257299464 570778164 /nfs/dbraw/zinc/77/81/64/570778164.db2.gz RQDTXIHHSJWHAE-JOCHJYFZSA-N 0 3 399.539 2.807 40 0 GFABHN COCC[N@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)C(C)C ZINC000585103459 570932108 /nfs/dbraw/zinc/93/21/08/570932108.db2.gz GKVZKSLAZRZLDP-HXUWFJFHSA-N 0 3 390.524 2.760 40 0 GFABHN COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc([O-])cc1)CC2)C(C)C ZINC000585103459 570932112 /nfs/dbraw/zinc/93/21/12/570932112.db2.gz GKVZKSLAZRZLDP-HXUWFJFHSA-N 0 3 390.524 2.760 40 0 GFABHN Cc1cccc(CN2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124772 570936244 /nfs/dbraw/zinc/93/62/44/570936244.db2.gz BZACACACWPNDCQ-GOSISDBHSA-N 0 3 392.507 2.649 40 0 GFABHN O=C1CCCN1C[C@H]1CC[C@]2(COCCN(Cc3ccc4[nH]ccc4c3)C2)O1 ZINC000306127858 570937840 /nfs/dbraw/zinc/93/78/40/570937840.db2.gz GJFZBAIHATXNTA-KNQAVFIVSA-N 0 3 383.492 2.540 40 0 GFABHN Cc1ccc2c(cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCNC4)n2C)c1 ZINC000019221213 570962799 /nfs/dbraw/zinc/96/27/99/570962799.db2.gz DCQDDINRGKPDJD-IBGZPJMESA-N 0 3 375.476 2.900 40 0 GFABHN O=C(COc1ccc(F)cc1F)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019293072 570973254 /nfs/dbraw/zinc/97/32/54/570973254.db2.gz GLJSETZCPDXQRP-QGZVFWFLSA-N 0 3 388.418 2.533 40 0 GFABHN CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 ZINC000019527167 570997793 /nfs/dbraw/zinc/99/77/93/570997793.db2.gz KXVMXQXPWOBIJM-OAQYLSRUSA-N 0 3 380.540 2.958 40 0 GFABHN CCN1CCN(C(=O)CNC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000585183565 571000578 /nfs/dbraw/zinc/00/05/78/571000578.db2.gz AYLFEHVRCIOULL-LJQANCHMSA-N 0 3 397.494 2.562 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585183640 571001213 /nfs/dbraw/zinc/00/12/13/571001213.db2.gz XQFGLQOGSWLPRI-OAQYLSRUSA-N 0 3 393.531 2.860 40 0 GFABHN Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)n1 ZINC000019572953 571010685 /nfs/dbraw/zinc/01/06/85/571010685.db2.gz RAUMBXGHZARRDO-QZTJIDSGSA-N 0 3 396.539 2.635 40 0 GFABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)CCCc2ccccn2)C3)CC1 ZINC000019588266 571015815 /nfs/dbraw/zinc/01/58/15/571015815.db2.gz ROWHJXWETCNCJK-UHFFFAOYSA-N 0 3 379.508 2.588 40 0 GFABHN C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N1CCCC1 ZINC000019655148 571023317 /nfs/dbraw/zinc/02/33/17/571023317.db2.gz BPBUDVVOQHHNQX-CQSZACIVSA-N 0 3 384.446 2.917 40 0 GFABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 ZINC000019698141 571030406 /nfs/dbraw/zinc/03/04/06/571030406.db2.gz KFXGIKBBWFMJAO-QFIPXVFZSA-N 0 3 394.519 2.884 40 0 GFABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 ZINC000019711008 571035080 /nfs/dbraw/zinc/03/50/80/571035080.db2.gz UTHIOONBXPXGNN-AWEZNQCLSA-N 0 3 398.898 2.878 40 0 GFABHN Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H](Cc2nc3ccc(F)cc3[nH]2)C1 ZINC000019715541 571037235 /nfs/dbraw/zinc/03/72/35/571037235.db2.gz QPMOBWMWZHMTAO-OAHLLOKOSA-N 0 3 398.486 2.946 40 0 GFABHN CN(C)CCN(C)c1nc(N2CCCC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000012325503 221182866 /nfs/dbraw/zinc/18/28/66/221182866.db2.gz BZYWHMMAETUHSL-UHFFFAOYSA-N 0 3 394.567 2.633 40 0 GFABHN COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078800 221395669 /nfs/dbraw/zinc/39/56/69/221395669.db2.gz FSUXKVBEFDDMMY-CRAIPNDOSA-N 0 3 396.491 2.604 40 0 GFABHN Cc1cccc(OC(C)(C)C(=O)N2CCc3nnc([C@@H]4CCCN4)n3CC2)c1C ZINC000019706431 221443034 /nfs/dbraw/zinc/44/30/34/221443034.db2.gz OZRFJQYPNLZBTD-KRWDZBQOSA-N 0 3 397.523 2.562 40 0 GFABHN COc1cccc(CN2C[C@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000072343005 222232017 /nfs/dbraw/zinc/23/20/17/222232017.db2.gz VAVFHSYGOBHXAC-PERKRYKHSA-N 0 3 399.491 2.622 40 0 GFABHN CC(=O)Nc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C(C)(C)N)C2)cc1 ZINC000072363056 222240871 /nfs/dbraw/zinc/24/08/71/222240871.db2.gz GTMIRHFQSQOGEQ-HNNXBMFYSA-N 0 3 397.479 2.671 40 0 GFABHN COCCN1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228766 222399586 /nfs/dbraw/zinc/39/95/86/222399586.db2.gz WNEAUELQJMHAMW-HSZRJFAPSA-N 0 3 397.519 2.678 40 0 GFABHN CN(C)CCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2cccnc2)n1 ZINC000329052469 570215214 /nfs/dbraw/zinc/21/52/14/570215214.db2.gz VBGIAOMUHCUVAL-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN Cc1ccc(CN2CCc3cc(C(=O)N4CCCC4)c(N(C)C)nc3CC2)o1 ZINC000096260381 570225357 /nfs/dbraw/zinc/22/53/57/570225357.db2.gz VVJLNXYIBJDQMJ-UHFFFAOYSA-N 0 3 382.508 2.886 40 0 GFABHN O=S1(=O)CC[C@@H](N(CCNCc2cccc(F)c2)Cc2ccc(F)cc2)C1 ZINC000575420022 570307391 /nfs/dbraw/zinc/30/73/91/570307391.db2.gz DHQIZXGJYGQRKN-HXUWFJFHSA-N 0 3 394.487 2.744 40 0 GFABHN Cc1ccc(F)c(CN2CCC3(CC2)C[C@H](NS(=O)(=O)C2CC2)CCO3)c1 ZINC000108533687 570313073 /nfs/dbraw/zinc/31/30/73/570313073.db2.gz VSTYXIFRMWVEKS-QGZVFWFLSA-N 0 3 396.528 2.730 40 0 GFABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccnc1 ZINC000223254699 570453451 /nfs/dbraw/zinc/45/34/51/570453451.db2.gz WHJNHCBANGPUCN-UXHICEINSA-N 0 3 392.532 2.801 40 0 GFABHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 ZINC000257337975 570784191 /nfs/dbraw/zinc/78/41/91/570784191.db2.gz YVGOOYIXURJGHG-BDXSIMOUSA-N 0 3 380.460 2.695 40 0 GFABHN Cc1noc(C)c1CN1CCC[C@@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 ZINC000585100711 570925344 /nfs/dbraw/zinc/92/53/44/570925344.db2.gz UKRVQQIEBXUZRS-OAQYLSRUSA-N 0 3 390.528 2.507 40 0 GFABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](C)C1)CC1(CCN(C)CC1)O2 ZINC000019218504 570962370 /nfs/dbraw/zinc/96/23/70/570962370.db2.gz QLHMGBZXZRZHAA-GOSISDBHSA-N 0 3 399.535 2.553 40 0 GFABHN Cn1c(C(=O)N2CCC[C@@H]2c2ncc3c(n2)CCNC3)cc2cc(F)ccc21 ZINC000019289754 570971466 /nfs/dbraw/zinc/97/14/66/570971466.db2.gz ZVKCUKIJZOUHOO-GOSISDBHSA-N 0 3 379.439 2.730 40 0 GFABHN c1cnn(-c2ccc(CN(CCCN3CCOCC3)Cc3cccnc3)cc2)c1 ZINC000019338578 570976552 /nfs/dbraw/zinc/97/65/52/570976552.db2.gz UBSKQKYRCVCSEF-UHFFFAOYSA-N 0 3 391.519 2.992 40 0 GFABHN C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CCN(C)C5)C3)ccc2O1 ZINC000019497925 570990236 /nfs/dbraw/zinc/99/02/36/570990236.db2.gz SHPAOOXBTXFXTM-NVXWUHKLSA-N 0 3 392.503 2.808 40 0 GFABHN CCCN1CCN(C(=O)CN)C[C@H](Cc2cccc(-c3ccccc3F)c2)C1=O ZINC000585183607 571000584 /nfs/dbraw/zinc/00/05/84/571000584.db2.gz MNLYPVVGMZKWMC-IBGZPJMESA-N 0 3 397.494 2.691 40 0 GFABHN Cc1nn([C@@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(C)c1C ZINC000019556112 571003437 /nfs/dbraw/zinc/00/34/37/571003437.db2.gz KSYQIOFEOQUQPE-AWEZNQCLSA-N 0 3 396.539 2.601 40 0 GFABHN CN1CCc2nc([C@@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 ZINC000019590336 571017504 /nfs/dbraw/zinc/01/75/04/571017504.db2.gz OUDRCGKXRVVLGI-IBGZPJMESA-N 0 3 380.492 2.963 40 0 GFABHN Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCn2c(nnc2[C@@H]2CCCN(C)C2)C1 ZINC000019710990 571034546 /nfs/dbraw/zinc/03/45/46/571034546.db2.gz PSQIZKMVIHAZAX-CQSZACIVSA-N 0 3 396.470 2.672 40 0 GFABHN CN(C)CCNc1nc(Nc2c(F)cccc2Cl)cc(-c2ccncc2)n1 ZINC000328982085 212092216 /nfs/dbraw/zinc/09/22/16/212092216.db2.gz GXYCHUPIIKSOMK-UHFFFAOYSA-N 0 3 386.862 2.892 40 0 GFABHN CC(=O)N1CCc2cc([C@H](O)CN3CCC(O)(c4ccc(F)cc4)CC3)ccc21 ZINC000012146649 221159861 /nfs/dbraw/zinc/15/98/61/221159861.db2.gz NGRQSZLYZPFODB-JOCHJYFZSA-N 0 3 398.478 2.752 40 0 GFABHN CCOc1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000012292372 221175449 /nfs/dbraw/zinc/17/54/49/221175449.db2.gz CBAHOWOWCSFXRP-IBGZPJMESA-N 0 3 385.460 2.831 40 0 GFABHN C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365922 221185229 /nfs/dbraw/zinc/18/52/29/221185229.db2.gz SXFXWQJKJNUXOK-XEYRCQSKSA-N 0 3 380.492 2.912 40 0 GFABHN C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2cc(=O)[n-]c(N3CCOCC3)n2)C1 ZINC000012365922 221185231 /nfs/dbraw/zinc/18/52/31/221185231.db2.gz SXFXWQJKJNUXOK-XEYRCQSKSA-N 0 3 380.492 2.912 40 0 GFABHN COc1ccc(CN2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)cc1 ZINC000019018883 221394621 /nfs/dbraw/zinc/39/46/21/221394621.db2.gz UTDUWRAMIOLJHO-UHFFFAOYSA-N 0 3 380.492 2.769 40 0 GFABHN COc1ccccc1O[C@@H](C)C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019078993 221394883 /nfs/dbraw/zinc/39/48/83/221394883.db2.gz ISWFOHMFCFPULT-MAUKXSAKSA-N 0 3 396.491 2.652 40 0 GFABHN C[C@@H](Oc1cccc(F)c1)C(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019079472 221395062 /nfs/dbraw/zinc/39/50/62/221395062.db2.gz DQXAMRSTBXIHEN-OAHLLOKOSA-N 0 3 398.482 2.777 40 0 GFABHN COc1ccc([C@@H]2Sc3ccccc3N(CCN)C(=O)[C@@H]2OC(C)=O)cc1 ZINC000065740213 222135848 /nfs/dbraw/zinc/13/58/48/222135848.db2.gz ITPLTCJNLBCHHJ-MOPGFXCFSA-N 0 3 386.473 2.766 40 0 in-vitro GFABHN CC(C)CNC(=O)[C@H]1Cn2ccnc2C2(CCN(Cc3cccs3)CC2)O1 ZINC000096036764 222373283 /nfs/dbraw/zinc/37/32/83/222373283.db2.gz WWJBVHHCVMKHOR-QGZVFWFLSA-N 0 3 388.537 2.607 40 0 GFABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCC4CCOCC4)cn32)CC1 ZINC000096156084 222393577 /nfs/dbraw/zinc/39/35/77/222393577.db2.gz LVMQAZCPOPUHKV-UHFFFAOYSA-N 0 3 384.524 2.626 40 0 GFABHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccc(I)c2)C1 ZINC000048482613 551157016 /nfs/dbraw/zinc/15/70/16/551157016.db2.gz KBXWDANGSICLBI-CHWSQXEVSA-N 0 3 386.277 2.999 40 0 GFABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 ZINC000218566857 553053764 /nfs/dbraw/zinc/05/37/64/553053764.db2.gz JZWLTCJZSATAHA-QRVBRYPASA-N 0 3 379.909 2.780 40 0 GFABHN NCC1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218472540 553053994 /nfs/dbraw/zinc/05/39/94/553053994.db2.gz CFXYNICRUQHKIL-HOTGVXAUSA-N 0 3 385.316 2.837 40 0 GFABHN Cn1cc(CN2CCC[C@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 ZINC000019749740 570215148 /nfs/dbraw/zinc/21/51/48/570215148.db2.gz DCPVTOKUGRYXMO-KRWDZBQOSA-N 0 3 381.455 2.892 40 0 GFABHN Cc1ccc(CN2CCc3cc(C(=O)NCC4CC4)c(N(C)C)nc3CC2)o1 ZINC000096260361 570225399 /nfs/dbraw/zinc/22/53/99/570225399.db2.gz BVUIZHVINDQJJW-UHFFFAOYSA-N 0 3 382.508 2.790 40 0 GFABHN CC(=O)N1CCC(N2CCC(O)(COc3cc(C)ccc3Cl)CC2)CC1 ZINC000585280695 570249376 /nfs/dbraw/zinc/24/93/76/570249376.db2.gz AANHIMRQVZBSTK-UHFFFAOYSA-N 0 3 380.916 2.865 40 0 GFABHN Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)/C=C/CN(C)C)C3)nc(C)n2)s1 ZINC000585292347 570261552 /nfs/dbraw/zinc/26/15/52/570261552.db2.gz KWYROWXARLQQSF-LLYBFZRZSA-N 0 3 386.525 2.727 40 0 GFABHN Cc1cc(Nc2cccc(CC3CCN(C(=O)[C@@H]4CCCCN4)CC3)n2)n[nH]1 ZINC000257200211 570759600 /nfs/dbraw/zinc/75/96/00/570759600.db2.gz ACKLGCIYYHYWNN-SFHVURJKSA-N 0 3 382.512 2.780 40 0 GFABHN Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257237056 570767074 /nfs/dbraw/zinc/76/70/74/570767074.db2.gz HEYIOGVGLDXCLK-OAHLLOKOSA-N 0 3 381.484 2.917 40 0 GFABHN COC[C@@H](C)NC(=O)CN1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 ZINC000257259806 570771509 /nfs/dbraw/zinc/77/15/09/570771509.db2.gz LACUKZXPOVJESI-QGZVFWFLSA-N 0 3 397.523 2.859 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532086 570925493 /nfs/dbraw/zinc/92/54/93/570925493.db2.gz PKUDCTXBOKGATM-AOIWGVFYSA-N 0 3 393.892 2.788 40 0 GFABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218532247 570925555 /nfs/dbraw/zinc/92/55/55/570925555.db2.gz PKUDCTXBOKGATM-LNLFQRSKSA-N 0 3 393.892 2.788 40 0 GFABHN O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1CN(Cc3ccoc3)C[C@@H]1C2 ZINC000306126742 570937477 /nfs/dbraw/zinc/93/74/77/570937477.db2.gz FDULWWGQZVCOBF-GJZGRUSLSA-N 0 3 381.411 2.567 40 0 GFABHN Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CCN(Cc4ccco4)CC3)O2)cc1 ZINC000306134607 570941597 /nfs/dbraw/zinc/94/15/97/570941597.db2.gz NTMLDRYZCPOYEA-NRFANRHFSA-N 0 3 397.519 2.570 40 0 GFABHN COc1ccc(CN2CCC3(CCc4nnc(C(=O)NC(C)C)n4C3)CC2)cc1 ZINC000306138351 570943880 /nfs/dbraw/zinc/94/38/80/570943880.db2.gz RVTHTVDMFQMYPG-UHFFFAOYSA-N 0 3 397.523 2.654 40 0 GFABHN O=C([C@H]1CCN1C1CCCCC1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000019374641 570981628 /nfs/dbraw/zinc/98/16/28/570981628.db2.gz DRKVSIFQKLHCON-LJQANCHMSA-N 0 3 382.508 2.568 40 0 GFABHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc2c1OCO2 ZINC000019549978 571000408 /nfs/dbraw/zinc/00/04/08/571000408.db2.gz SALQQWIXTHOBNE-BEFAXECRSA-N 0 3 390.386 2.812 40 0 GFABHN COc1ccccc1C(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019583261 571014191 /nfs/dbraw/zinc/01/41/91/571014191.db2.gz QBWKIRRXOWIIEI-MRXNPFEDSA-N 0 3 393.491 2.631 40 0 GFABHN CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2S(=O)(=O)N1CCCC1 ZINC000019589184 571016232 /nfs/dbraw/zinc/01/62/32/571016232.db2.gz WBROGEJYPGVXJC-VAMGGRTRSA-N 0 3 377.554 2.669 40 0 GFABHN COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C)C4)C2)c1 ZINC000019590430 571018074 /nfs/dbraw/zinc/01/80/74/571018074.db2.gz CQACSZQEPFLLJC-OAHLLOKOSA-N 0 3 396.491 2.502 40 0 GFABHN Cc1nccn1C[C@@H]1CCCN(CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000019658007 571024463 /nfs/dbraw/zinc/02/44/63/571024463.db2.gz UECZSHHQJNQWLE-QGZVFWFLSA-N 0 3 380.496 2.737 40 0 GFABHN Cn1cc(-c2cc(NC[C@@H](c3ccc(F)cc3)N3CCCC3)nc(N)n2)cn1 ZINC000019718041 571041191 /nfs/dbraw/zinc/04/11/91/571041191.db2.gz HZZDJXRHZYKOKA-SFHVURJKSA-N 0 3 381.459 2.847 40 0 GFABHN COc1ccc(OC)c2[nH]c(=O)c(CNCCc3cccc(OC)c3OC)cc12 ZINC000013998911 221296299 /nfs/dbraw/zinc/29/62/99/221296299.db2.gz FAFHTHBTHFUDQS-UHFFFAOYSA-N 0 3 398.459 2.895 40 0 GFABHN C[C@H](C(=O)NCCn1ncc(-c2cnccn2)c1-c1cccs1)N1CCCC1 ZINC000019080239 221397128 /nfs/dbraw/zinc/39/71/28/221397128.db2.gz ACZNJOWTDHNDEX-OAHLLOKOSA-N 0 3 396.520 2.669 40 0 GFABHN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccc(C)s1)C2 ZINC000096050141 136183350 /nfs/dbraw/zinc/18/33/50/136183350.db2.gz KTNTXKVXEHAHGF-OAQYLSRUSA-N 0 3 383.517 2.896 40 0 GFABHN COc1ccccc1[C@@]1(O)CCC[C@H]2CN(Cc3cnc(N(C)C)nc3)C[C@H]21 ZINC000072340986 222231134 /nfs/dbraw/zinc/23/11/34/222231134.db2.gz YYVYQVXDOZCAFN-KPLVRAHFSA-N 0 3 382.508 2.671 40 0 GFABHN COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc(OC)c1OC ZINC000072372991 222243139 /nfs/dbraw/zinc/24/31/39/222243139.db2.gz XYYPXKBNHJFUIC-LSDHHAIUSA-N 0 3 385.464 2.648 40 0 GFABHN COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc(OC)c1OC ZINC000072372991 222243143 /nfs/dbraw/zinc/24/31/43/222243143.db2.gz XYYPXKBNHJFUIC-LSDHHAIUSA-N 0 3 385.464 2.648 40 0 GFABHN CC(=O)N1CCc2nc([C@@H]3CCCN(CCOc4ccccc4C)C3)ncc2C1 ZINC000072390879 222247224 /nfs/dbraw/zinc/24/72/24/222247224.db2.gz QKRVXISDZCIXKA-LJQANCHMSA-N 0 3 394.519 2.948 40 0 GFABHN CC(=O)N1CC[C@@H](c2nn(CCNCc3cccc(Cl)c3)c3nccnc23)C1 ZINC000072391655 222248441 /nfs/dbraw/zinc/24/84/41/222248441.db2.gz ZHHGFVGDDQQTIR-MRXNPFEDSA-N 0 3 398.898 2.605 40 0 GFABHN NC[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218535229 553053782 /nfs/dbraw/zinc/05/37/82/553053782.db2.gz SDLAFJXOWAOMLD-IXDOHACOSA-N 0 3 386.300 2.871 40 0 GFABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(CN)CO)cc1 ZINC000218566764 553053949 /nfs/dbraw/zinc/05/39/49/553053949.db2.gz JZWLTCJZSATAHA-QYZOEREBSA-N 0 3 379.909 2.780 40 0 GFABHN CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000585270293 570239394 /nfs/dbraw/zinc/23/93/94/570239394.db2.gz SWNOMQMBBSDXHO-HXUWFJFHSA-N 0 3 398.494 2.770 40 0 GFABHN O[C@]1(CNCc2ccc(OCc3ccccn3)cc2)CCN(c2ccccn2)C1 ZINC000585271306 570239719 /nfs/dbraw/zinc/23/97/19/570239719.db2.gz VZEQIWCXORUYJT-QHCPKHFHSA-N 0 3 390.487 2.787 40 0 GFABHN COC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242538924 570326394 /nfs/dbraw/zinc/32/63/94/570326394.db2.gz JIDSSZFALXRQKC-GUDVDZBRSA-N 0 3 395.908 2.880 40 0 GFABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccnc1 ZINC000223254754 570453253 /nfs/dbraw/zinc/45/32/53/570453253.db2.gz WHJNHCBANGPUCN-VQTJNVASSA-N 0 3 392.532 2.801 40 0 GFABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@H](O)COC1CCCCC1 ZINC000257336214 570487309 /nfs/dbraw/zinc/48/73/09/570487309.db2.gz YNOTWEWSPUEKDE-NRFANRHFSA-N 0 3 376.541 2.661 40 0 GFABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000044948581 570645178 /nfs/dbraw/zinc/64/51/78/570645178.db2.gz IHWJLTHAMFANQE-QGZVFWFLSA-N 0 3 393.553 2.746 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCC2)[C@@H]1c1cccc(Cl)c1 ZINC000257202367 570760061 /nfs/dbraw/zinc/76/00/61/570760061.db2.gz ALLNCIOHQRABDS-MJGOQNOKSA-N 0 3 377.916 2.852 40 0 GFABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COCc1nc2ccccc2[nH]1 ZINC000257229161 570764694 /nfs/dbraw/zinc/76/46/94/570764694.db2.gz FWXHRPQHNGETQY-TUXJCPBXSA-N 0 3 382.508 2.943 40 0 GFABHN COc1ccc(OC)c(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c1 ZINC000008215718 570765431 /nfs/dbraw/zinc/76/54/31/570765431.db2.gz UGVOCOSFWOPERG-GOSISDBHSA-N 0 3 393.443 2.649 40 0 GFABHN CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000257306305 570778959 /nfs/dbraw/zinc/77/89/59/570778959.db2.gz STTPRSHOYRFTAT-HSZRJFAPSA-N 0 3 397.519 2.595 40 0 GFABHN CCc1ccccc1C(=O)N1CCC2(CO[C@H](CN3CCC[C@@H](O)C3)C2)CC1 ZINC000585104136 570930012 /nfs/dbraw/zinc/93/00/12/570930012.db2.gz LUMSSBWHAVZRPK-UXHICEINSA-N 0 3 386.536 2.717 40 0 GFABHN O=C(Nc1ccc(C(=O)N2CCC[C@]3(CCN3C[C@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102255 570930055 /nfs/dbraw/zinc/93/00/55/570930055.db2.gz VNFNPYTTZNSPTE-OFNKIYASSA-N 0 3 397.519 2.895 40 0 GFABHN O=C(c1cc(C2CC2)on1)N1CCO[C@@]2(CCCC[C@@H]2NCc2cccnc2)C1 ZINC000306126822 570937383 /nfs/dbraw/zinc/93/73/83/570937383.db2.gz FGBOWWCWZXPYSO-UNMCSNQZSA-N 0 3 396.491 2.891 40 0 GFABHN Cc1nc(C)n(CCC(=O)N(C)C2CCC3(CC2)CNCc2ccccc2O3)n1 ZINC000019285980 570969666 /nfs/dbraw/zinc/96/96/66/570969666.db2.gz DBKMPYWCHIYUHR-UHFFFAOYSA-N 0 3 397.523 2.607 40 0 GFABHN C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 ZINC000019497938 570990592 /nfs/dbraw/zinc/99/05/92/570990592.db2.gz BRKMZUWTHFBZSO-IFXJQAMLSA-N 0 3 378.476 2.765 40 0 GFABHN COc1ccc(OC)c(CN2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019551446 571001291 /nfs/dbraw/zinc/00/12/91/571001291.db2.gz BDTSEIARTYPTDR-MRXNPFEDSA-N 0 3 392.459 2.839 40 0 GFABHN Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c(C)c1C ZINC000019556792 571003340 /nfs/dbraw/zinc/00/33/40/571003340.db2.gz OQLDYGGEGQEGRY-XOBRGWDASA-N 0 3 396.539 2.586 40 0 GFABHN COc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO ZINC000019559336 571004960 /nfs/dbraw/zinc/00/49/60/571004960.db2.gz JQYCNBUKEWPHIF-MRXNPFEDSA-N 0 3 399.520 2.815 40 0 GFABHN COc1cccc(CN2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC ZINC000019567629 571008761 /nfs/dbraw/zinc/00/87/61/571008761.db2.gz IKZWTARTLYTMFW-KRWDZBQOSA-N 0 3 392.459 2.839 40 0 GFABHN CCN1CCC[C@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 ZINC000019655477 571023249 /nfs/dbraw/zinc/02/32/49/571023249.db2.gz SXGSVCQOAWSQSQ-KRWDZBQOSA-N 0 3 392.507 2.748 40 0 GFABHN C[C@@H](CN1CCCC1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000019661370 571025748 /nfs/dbraw/zinc/02/57/48/571025748.db2.gz SKJHQJVJTLSLSD-AWEZNQCLSA-N 0 3 384.446 2.917 40 0 GFABHN Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@@H]4CCCN(C)C4)C3)cc21 ZINC000019711000 571034590 /nfs/dbraw/zinc/03/45/90/571034590.db2.gz SFJAWUVUXAUEDZ-OAHLLOKOSA-N 0 3 378.480 2.533 40 0 GFABHN CCCN1CCN(C(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)CC1 ZINC000009198384 221073345 /nfs/dbraw/zinc/07/33/45/221073345.db2.gz GWTLRUDVMXKAEJ-UHFFFAOYSA-N 0 3 379.917 2.771 40 0 GFABHN COc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1OC ZINC000012327782 221182625 /nfs/dbraw/zinc/18/26/25/221182625.db2.gz SZFZTOQXZOGUSL-GOSISDBHSA-N 0 3 375.440 2.860 40 0 GFABHN O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1F ZINC000012366323 221184580 /nfs/dbraw/zinc/18/45/80/221184580.db2.gz CDRDFHMTRDHLEV-VSOVRNOCSA-N 0 3 383.467 2.818 40 0 GFABHN Cc1c(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012203319 221168439 /nfs/dbraw/zinc/16/84/39/221168439.db2.gz ZFJHFUNXTZRKMQ-LBPRGKRZSA-N 0 3 376.526 2.544 40 0 GFABHN CC(=O)NCCn1nc([C@H]2CCN(Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019021805 221394807 /nfs/dbraw/zinc/39/48/07/221394807.db2.gz UHOYGJLSXARWBP-KRWDZBQOSA-N 0 3 381.455 2.696 40 0 GFABHN COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C)C3)c1 ZINC000019078791 221395134 /nfs/dbraw/zinc/39/51/34/221395134.db2.gz BJYDGOBOSGTUJJ-YWZLYKJASA-N 0 3 396.491 2.604 40 0 GFABHN C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019078779 221395175 /nfs/dbraw/zinc/39/51/75/221395175.db2.gz YJCLPKUGIOVFLJ-KUHUBIRLSA-N 0 3 384.455 2.735 40 0 GFABHN CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc3c(c2)CCO3)CC1 ZINC000019021063 221395389 /nfs/dbraw/zinc/39/53/89/221395389.db2.gz BTPICNHHCPTRKN-NRFANRHFSA-N 0 3 380.488 2.782 40 0 GFABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCN(Cc3ccncc3)C2)cc1 ZINC000072345951 222232962 /nfs/dbraw/zinc/23/29/62/222232962.db2.gz ZAMIOBQTWYYTEH-SFHVURJKSA-N 0 3 388.475 2.599 40 0 GFABHN CN(CCO)C(=O)c1cc([C@H]2CCN(Cc3cccnc3)C2)nc2ccccc21 ZINC000072356014 222239471 /nfs/dbraw/zinc/23/94/71/222239471.db2.gz NMCORAPZBSIQAJ-SFHVURJKSA-N 0 3 390.487 2.684 40 0 GFABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000072391143 222249281 /nfs/dbraw/zinc/24/92/81/222249281.db2.gz WSQWPDXYUXIAMI-YVWKXTFCSA-N 0 3 395.434 2.963 40 0 GFABHN O=C([C@H]1Cn2ccnc2C2(CCN(Cc3ccc(F)cc3)CC2)O1)N1CCCC1 ZINC000096036827 222372383 /nfs/dbraw/zinc/37/23/83/222372383.db2.gz KKVOVGNAJUPGHT-LJQANCHMSA-N 0 3 398.482 2.535 40 0 GFABHN Cc1nc(CN2CCN(C)C3(CCN(Cc4cccs4)CC3)C2=O)cs1 ZINC000096050102 222375616 /nfs/dbraw/zinc/37/56/16/222375616.db2.gz VUUHBLMTBAPRGP-UHFFFAOYSA-N 0 3 390.578 2.822 40 0 GFABHN CN(C)CCNC(=O)C[C@@H]1CC2(CCN(C(=O)C3CCC3)CC2)c2ccccc21 ZINC000096079503 222377110 /nfs/dbraw/zinc/37/71/10/222377110.db2.gz CHUZRFGBJGOXLI-LJQANCHMSA-N 0 3 397.563 2.902 40 0 GFABHN CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 ZINC000096111863 222382136 /nfs/dbraw/zinc/38/21/36/222382136.db2.gz AEBWVIFGBDQIFY-FPOVZHCZSA-N 0 3 392.503 2.544 40 0 biogenic,in-vitro GFABHN CN(C)[C@H]1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)C1 ZINC000096146341 222389970 /nfs/dbraw/zinc/38/99/70/222389970.db2.gz JXMOGPUZIUQZFT-HNNXBMFYSA-N 0 3 388.475 2.688 40 0 GFABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn32)CC1 ZINC000096156093 222392560 /nfs/dbraw/zinc/39/25/60/222392560.db2.gz ONLCOKBWYRSIQG-UHFFFAOYSA-N 0 3 391.519 2.837 40 0 GFABHN Cc1nc(C2CCN(Cc3ccccc3)CC2)ncc1C(=O)N1CCOCC1 ZINC000019751987 570215863 /nfs/dbraw/zinc/21/58/63/570215863.db2.gz YEXKHINNTVUGFR-UHFFFAOYSA-N 0 3 380.492 2.637 40 0 GFABHN CCCN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(CC1CC1)C2 ZINC000096263537 570226637 /nfs/dbraw/zinc/22/66/37/570226637.db2.gz UGWBQBHYXSQSEO-UHFFFAOYSA-N 0 3 378.538 2.972 40 0 GFABHN CC(C)N(Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O ZINC000585285595 570255240 /nfs/dbraw/zinc/25/52/40/570255240.db2.gz QVGMQCHRALFEAG-GMAHTHKFSA-N 0 3 382.504 2.535 40 0 GFABHN CCCCc1ccc(CNC[C@]2(O)CN(C(=O)c3ccccc3)CC[C@H]2O)cc1 ZINC000585289073 570257304 /nfs/dbraw/zinc/25/73/04/570257304.db2.gz CVQCCYNRAXCDGF-VWNXMTODSA-N 0 3 396.531 2.757 40 0 GFABHN CCOC(=O)[C@@H]1C(=O)N=C(N2CCc3ccccc3C2)N[C@H]1c1cccc(C)c1 ZINC000020636892 570273780 /nfs/dbraw/zinc/27/37/80/570273780.db2.gz XOOXWDQEPNQMHK-PMACEKPBSA-N 0 3 391.471 2.760 40 0 GFABHN OC[C@H]1[C@H](O)C[C@@H](NCc2cccc(Cl)c2)[C@@H]1Cc1ccnc(C2CC2)n1 ZINC000604382168 570353397 /nfs/dbraw/zinc/35/33/97/570353397.db2.gz ILMHFLKWCMXTMV-UAFMIMERSA-N 0 3 387.911 2.698 40 0 biogenic,in-vitro GFABHN CN(Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257290069 570489053 /nfs/dbraw/zinc/48/90/53/570489053.db2.gz QBLLRXBAYLIGKI-HSZRJFAPSA-N 0 3 393.531 2.966 40 0 GFABHN CN1CCC(C(=O)N2CCO[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)CC1 ZINC000257215686 570761972 /nfs/dbraw/zinc/76/19/72/570761972.db2.gz CRFIBNDYOAMZRT-IBGZPJMESA-N 0 3 387.455 2.646 40 0 GFABHN CCN1C(=O)C[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1ccccc1Cl ZINC000257238977 570767340 /nfs/dbraw/zinc/76/73/40/570767340.db2.gz HNJAWMTUJUXBDO-APWZRJJASA-N 0 3 377.916 2.802 40 0 GFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC(C(=O)N(C)C)CC2)c1 ZINC000257293392 570777044 /nfs/dbraw/zinc/77/70/44/570777044.db2.gz QPHJSACITQMNHX-UHFFFAOYSA-N 0 3 394.519 2.751 40 0 GFABHN O=C(CN1CCCC1)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257334314 570783529 /nfs/dbraw/zinc/78/35/29/570783529.db2.gz YFJZEHZYXCPYKB-FXAWDEMLSA-N 0 3 386.492 2.709 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)NCCN2CCCCC2)[C@@H]1c1ccc(OC)cc1 ZINC000257340695 570784678 /nfs/dbraw/zinc/78/46/78/570784678.db2.gz ZHEVHTUVKHIWKG-CTNGQTDRSA-N 0 3 387.524 2.597 40 0 GFABHN O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]21)C1CC(O)C1 ZINC000585109775 570938811 /nfs/dbraw/zinc/93/88/11/570938811.db2.gz SILPZSIJFIPYBB-PCBHJHNVSA-N 0 3 380.463 2.983 40 0 GFABHN Cc1ccc(-c2nnc3n(c2=O)CCC32CCN(Cc3cccnc3)CC2)cc1 ZINC000306130892 570939409 /nfs/dbraw/zinc/93/94/09/570939409.db2.gz JSCVDBYVNKJYJW-UHFFFAOYSA-N 0 3 387.487 2.946 40 0 GFABHN O=C1N(Cc2ccsc2)CCO[C@]12CN(C1CCC1)C[C@@H]2c1cccnc1 ZINC000306141423 570945308 /nfs/dbraw/zinc/94/53/08/570945308.db2.gz VVQFIAMMUKICLE-CTNGQTDRSA-N 0 3 383.517 2.893 40 0 GFABHN Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](C)C1)CC1(CCN(C)CC1)O2 ZINC000019218508 570962286 /nfs/dbraw/zinc/96/22/86/570962286.db2.gz QLHMGBZXZRZHAA-SFHVURJKSA-N 0 3 399.535 2.553 40 0 GFABHN C[C@H](Cc1cc(=O)[n-]c(NC2CC[NH+](Cc3ccccc3)CC2)n1)n1cccn1 ZINC000019456749 570987099 /nfs/dbraw/zinc/98/70/99/570987099.db2.gz QXRVSMHSMKQKBB-QGZVFWFLSA-N 0 3 392.507 2.847 40 0 GFABHN C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 ZINC000019497937 570990267 /nfs/dbraw/zinc/99/02/67/570990267.db2.gz BRKMZUWTHFBZSO-AUUYWEPGSA-N 0 3 378.476 2.765 40 0 GFABHN CCCCn1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c(C)n1 ZINC000019502434 570993438 /nfs/dbraw/zinc/99/34/38/570993438.db2.gz HOKAOMAKHURMKG-UHFFFAOYSA-N 0 3 392.507 2.738 40 0 GFABHN CCCCn1cc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c(C)n1 ZINC000019502434 570993440 /nfs/dbraw/zinc/99/34/40/570993440.db2.gz HOKAOMAKHURMKG-UHFFFAOYSA-N 0 3 392.507 2.738 40 0 GFABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019575353 571011864 /nfs/dbraw/zinc/01/18/64/571011864.db2.gz XHCALFYQEZPZDG-MISYRCLQSA-N 0 3 376.504 2.724 40 0 GFABHN Cc1nccn1C[C@H]1CCCN(CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657948 571024579 /nfs/dbraw/zinc/02/45/79/571024579.db2.gz VTMWOZNBGLERHD-SFHVURJKSA-N 0 3 378.480 2.728 40 0 GFABHN Cc1oc2c(c1C(=O)N1CCc3nnc(C4CCN(C)CC4)n3CC1)CCCC2 ZINC000019708990 571033821 /nfs/dbraw/zinc/03/38/21/571033821.db2.gz CAVMCELOVONKMX-UHFFFAOYSA-N 0 3 397.523 2.566 40 0 GFABHN CCN1C(=O)CC[C@@H](C(=O)N(C)C2CCN(C)CC2)[C@@H]1c1cccc(OC)c1 ZINC000257283060 222769334 /nfs/dbraw/zinc/76/93/34/222769334.db2.gz OWPXQBXNPMUJPS-CTNGQTDRSA-N 0 3 387.524 2.547 40 0 GFABHN COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCCCC1 ZINC000007709769 221006602 /nfs/dbraw/zinc/00/66/02/221006602.db2.gz NCXJGWGQWISWQE-UHFFFAOYSA-N 0 3 391.331 2.612 40 0 GFABHN CCN1CCC[C@H]1CNC(=O)C1CCN(c2nc3ccccc3n2CC)CC1 ZINC000012116399 221151984 /nfs/dbraw/zinc/15/19/84/221151984.db2.gz XLTSBSUEIFNQBU-SFHVURJKSA-N 0 3 383.540 2.873 40 0 GFABHN O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)N2Cc1cccc(F)c1 ZINC000012366338 221184314 /nfs/dbraw/zinc/18/43/14/221184314.db2.gz IFABXGHSNJZFHP-QIDMFYOTSA-N 0 3 383.467 2.818 40 0 GFABHN Cc1ccc([C@@H](CNC(=O)c2cc(C(C)(C)C)n3ncnc3n2)N(C)C)cc1 ZINC000019136488 221399033 /nfs/dbraw/zinc/39/90/33/221399033.db2.gz NSSHBEQZWSQENG-QGZVFWFLSA-N 0 3 380.496 2.763 40 0 GFABHN COc1ccccc1O[C@@H](C)C(=O)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019078998 221394889 /nfs/dbraw/zinc/39/48/89/221394889.db2.gz ISWFOHMFCFPULT-YJBOKZPZSA-N 0 3 396.491 2.652 40 0 GFABHN NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072345962 222232702 /nfs/dbraw/zinc/23/27/02/222232702.db2.gz JXAUFCXKDBZSSB-GOSISDBHSA-N 0 3 388.475 2.599 40 0 GFABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514288519 560034915 /nfs/dbraw/zinc/03/49/15/560034915.db2.gz BWRFWQYZPZEDSQ-RBUKOAKNSA-N 0 3 397.485 2.667 40 0 biogenic,in-vitro GFABHN O=C([C@@H]1Cn2ccnc2C2(CCN(Cc3cccc(F)c3)CC2)O1)N1CCCC1 ZINC000096243696 570223614 /nfs/dbraw/zinc/22/36/14/570223614.db2.gz ULJUWXWYOCGEKJ-IBGZPJMESA-N 0 3 398.482 2.535 40 0 GFABHN CN(Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262549 570230806 /nfs/dbraw/zinc/23/08/06/570230806.db2.gz RRRFYJGXOQJPCX-FQEVSTJZSA-N 0 3 398.503 2.560 40 0 GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccc(F)cc1 ZINC000020636733 570273463 /nfs/dbraw/zinc/27/34/63/570273463.db2.gz PZPLRGQCASCTNS-RBUKOAKNSA-N 0 3 395.434 2.590 40 0 GFABHN CCOC(=O)C1=C([O-])NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1cccc(F)c1 ZINC000020801024 570281235 /nfs/dbraw/zinc/28/12/35/570281235.db2.gz GTSWXTBWDXGOKJ-RTBURBONSA-N 0 3 395.434 2.590 40 0 GFABHN OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccncc1 ZINC000223607310 570474011 /nfs/dbraw/zinc/47/40/11/570474011.db2.gz ALMUQAHYZXNWPE-RBUKOAKNSA-N 0 3 379.489 2.622 40 0 GFABHN COCCN1C(=O)C(CC(=O)Nc2cccc(F)c2)n2c3ccccc3nc21 ZINC000039963961 570594503 /nfs/dbraw/zinc/59/45/03/570594503.db2.gz DZWABISNKHMELN-KRWDZBQOSA-N 0 3 382.395 2.738 40 0 GFABHN CN(C)CCNC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 ZINC000010111608 570781826 /nfs/dbraw/zinc/78/18/26/570781826.db2.gz REWIJKHOUKCGDF-JOCHJYFZSA-N 0 3 397.544 2.795 40 0 GFABHN C[C@H](CNC(=O)C12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)N1CCC(C)CC1 ZINC000019496779 570926910 /nfs/dbraw/zinc/92/69/10/570926910.db2.gz QLWVPDSDGXFTOR-IEPIWIGSSA-N 0 3 385.556 2.810 40 0 GFABHN Cc1ccc(C(=O)N2CCC3(CO[C@@H](CN4CCC[C@H](O)C4)C3)CC2)cc1F ZINC000585103023 570931748 /nfs/dbraw/zinc/93/17/48/570931748.db2.gz BHGBGFTZRMXRGX-RBUKOAKNSA-N 0 3 390.499 2.602 40 0 GFABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 ZINC000306132127 570940531 /nfs/dbraw/zinc/94/05/31/570940531.db2.gz KZPQLDUQCZQPLZ-INIZCTEOSA-N 0 3 379.451 2.566 40 0 GFABHN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145111 570946747 /nfs/dbraw/zinc/94/67/47/570946747.db2.gz ZYKYTVFMTKOQFP-TZIWHRDSSA-N 0 3 383.517 2.750 40 0 GFABHN CC(=O)N1CCc2nc([C@@H]3CCN(CCCOc4ccc(C)cc4)C3)ncc2C1 ZINC000019211019 570960565 /nfs/dbraw/zinc/96/05/65/570960565.db2.gz GMPLNUKTHVXONJ-LJQANCHMSA-N 0 3 394.519 2.948 40 0 GFABHN O=C(c1ccc(N2CCCCC2)cc1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019331917 570975396 /nfs/dbraw/zinc/97/53/96/570975396.db2.gz DUYCTPKEHMLNBR-SFHVURJKSA-N 0 3 391.519 2.742 40 0 GFABHN C[C@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CCN(C)C5)CC3)c2C1 ZINC000019497112 570990058 /nfs/dbraw/zinc/99/00/58/570990058.db2.gz BRDVSACZVFASIP-AWEZNQCLSA-N 0 3 395.507 2.597 40 0 GFABHN C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CCN(C)C4)ccc2O1 ZINC000019497939 570990384 /nfs/dbraw/zinc/99/03/84/570990384.db2.gz BRKMZUWTHFBZSO-KUHUBIRLSA-N 0 3 378.476 2.765 40 0 GFABHN CCOc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CCNC4)C2)cc1 ZINC000019533106 570999026 /nfs/dbraw/zinc/99/90/26/570999026.db2.gz AMJNARZMFLEFDP-GOSISDBHSA-N 0 3 394.519 2.860 40 0 GFABHN CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019533022 570999133 /nfs/dbraw/zinc/99/91/33/570999133.db2.gz XHUNEXGBMCXAIZ-GOSISDBHSA-N 0 3 394.519 2.812 40 0 GFABHN CCOc1ccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1 ZINC000019533592 570999874 /nfs/dbraw/zinc/99/98/74/570999874.db2.gz NGFSBRDTKUOEIG-QRWLVFNGSA-N 0 3 396.491 2.652 40 0 GFABHN COc1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc(OC)c1O ZINC000019549456 571000266 /nfs/dbraw/zinc/00/02/66/571000266.db2.gz MFQOBYXWUWVXIZ-BEFAXECRSA-N 0 3 392.402 2.797 40 0 GFABHN Cc1nn([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CCNC4)CC2)c(C)c1C ZINC000019556114 571003328 /nfs/dbraw/zinc/00/33/28/571003328.db2.gz KSYQIOFEOQUQPE-CQSZACIVSA-N 0 3 396.539 2.601 40 0 GFABHN COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1Cc1ccccc1 ZINC000019567125 571007904 /nfs/dbraw/zinc/00/79/04/571007904.db2.gz DPBOZEFYYMSDBZ-SLFFLAALSA-N 0 3 382.504 2.566 40 0 GFABHN CN(C)c1cccc(C(=O)N2CCc3nc(C4CCN(C)CC4)ncc3C2)c1 ZINC000019588331 571015793 /nfs/dbraw/zinc/01/57/93/571015793.db2.gz SBOGBNGQXMBKLN-UHFFFAOYSA-N 0 3 379.508 2.550 40 0 GFABHN COCCOc1cccc(CN2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000019593780 571020241 /nfs/dbraw/zinc/02/02/41/571020241.db2.gz WWVOHEWPHSGFPZ-MRXNPFEDSA-N 0 3 381.436 2.541 40 0 GFABHN