smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000289183246 929771632 /nfs/dbraw/zinc/77/16/32/929771632.db2.gz IMAQAPGVQUHUBK-QGZVFWFLSA-N 2 2 352.413 3.501 50 0 FHAALP CC[NH+](CC)CCC[NH2+]CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000002649458 204049332 /nfs/dbraw/zinc/04/93/32/204049332.db2.gz SAFMZKGYJQZKFU-UHFFFAOYSA-N 2 2 365.827 3.619 50 0 FHAALP O=C(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000004118681 204122229 /nfs/dbraw/zinc/12/22/29/204122229.db2.gz PWPDBLHJOLYQGO-UHFFFAOYSA-N 2 2 357.885 3.533 50 0 FHAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1 ZINC000010313994 204394414 /nfs/dbraw/zinc/39/44/14/204394414.db2.gz JRLWWTYHBYSLTQ-UHFFFAOYSA-N 2 2 351.450 3.651 50 0 FHAALP CC(C)Oc1c(Cl)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1Cl ZINC000040719684 205077966 /nfs/dbraw/zinc/07/79/66/205077966.db2.gz VKMIEFJMWQDDCU-UHFFFAOYSA-N 2 2 361.313 3.593 50 0 FHAALP COc1cccc(C[N@H+](C)[C@@H](C)c2cccnc2)c1OCCn1cc[nH+]c1 ZINC000055073049 205206212 /nfs/dbraw/zinc/20/62/12/205206212.db2.gz XZZNDNXUPIUMCM-KRWDZBQOSA-N 2 2 366.465 3.559 50 0 FHAALP COc1cccc(C[N@@H+](C)[C@@H](C)c2cccnc2)c1OCCn1cc[nH+]c1 ZINC000055073049 205206217 /nfs/dbraw/zinc/20/62/17/205206217.db2.gz XZZNDNXUPIUMCM-KRWDZBQOSA-N 2 2 366.465 3.559 50 0 FHAALP Cc1cc(C)n(CCC[N@H+](CCc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000063834850 205293532 /nfs/dbraw/zinc/29/35/32/205293532.db2.gz ZTAHHSMLDGWMSD-UHFFFAOYSA-N 2 2 354.542 3.529 50 0 FHAALP Cc1cc(C)n(CCC[N@@H+](CCc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000063834850 205293535 /nfs/dbraw/zinc/29/35/35/205293535.db2.gz ZTAHHSMLDGWMSD-UHFFFAOYSA-N 2 2 354.542 3.529 50 0 FHAALP CC(=O)Nc1ccc(C[N@@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000063868093 205295532 /nfs/dbraw/zinc/29/55/32/205295532.db2.gz RUENLOCDGCIBJE-UHFFFAOYSA-N 2 2 365.521 3.784 50 0 FHAALP CC(=O)Nc1ccc(C[N@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000063868093 205295536 /nfs/dbraw/zinc/29/55/36/205295536.db2.gz RUENLOCDGCIBJE-UHFFFAOYSA-N 2 2 365.521 3.784 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000067724153 205387850 /nfs/dbraw/zinc/38/78/50/205387850.db2.gz DLKJGKDHTHCJSC-HNNXBMFYSA-N 2 2 372.896 3.907 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](C[C@H]1CCC[NH2+]C1)C2 ZINC000067724153 205387854 /nfs/dbraw/zinc/38/78/54/205387854.db2.gz DLKJGKDHTHCJSC-HNNXBMFYSA-N 2 2 372.896 3.907 50 0 FHAALP Cn1c(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000130133210 206125837 /nfs/dbraw/zinc/12/58/37/206125837.db2.gz OFCRSQHCPFCDSL-UHFFFAOYSA-N 2 2 368.447 3.991 50 0 FHAALP COc1ccc([C@@H](C[NH2+]Cc2cc(OC)cc(OC)c2)[NH+]2CCCC2)cc1 ZINC000022787451 206391602 /nfs/dbraw/zinc/39/16/02/206391602.db2.gz YURUEYMHJLMTJB-JOCHJYFZSA-N 2 2 370.493 3.639 50 0 FHAALP Cc1cc(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000095357621 132207595 /nfs/dbraw/zinc/20/75/95/132207595.db2.gz TYVUGVDCDIVXHA-SFHVURJKSA-N 3 2 363.509 3.685 50 0 FHAALP COc1cc(F)c(C[NH+]2CCC(c3[nH+]ccn3CC3CC3)CC2)cc1OC ZINC000091493558 522566904 /nfs/dbraw/zinc/56/69/04/522566904.db2.gz LSEVYKZZGGBHKY-UHFFFAOYSA-N 2 2 373.472 3.829 50 0 FHAALP Clc1ccc(OCCCn2cc[nH+]c2)c(C[NH+]2CCSCC2)c1 ZINC000215876276 568093605 /nfs/dbraw/zinc/09/36/05/568093605.db2.gz APDIWDUTFVZSMT-UHFFFAOYSA-N 2 2 351.903 3.554 50 0 FHAALP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)C2 ZINC000095375445 570457406 /nfs/dbraw/zinc/45/74/06/570457406.db2.gz VXRIWFUFLWSSQO-QZTJIDSGSA-N 2 2 364.493 3.579 50 0 FHAALP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccc1-c1[nH]cc[nH+]1)C2 ZINC000095375445 570457410 /nfs/dbraw/zinc/45/74/10/570457410.db2.gz VXRIWFUFLWSSQO-QZTJIDSGSA-N 2 2 364.493 3.579 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095527373 570469039 /nfs/dbraw/zinc/46/90/39/570469039.db2.gz ZNUCZLFMGACBKG-KRWDZBQOSA-N 2 2 374.916 3.508 50 0 FHAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000097347336 570486888 /nfs/dbraw/zinc/48/68/88/570486888.db2.gz HJWPHXYUFZIKLR-UHFFFAOYSA-N 2 2 363.461 3.703 50 0 FHAALP COc1cccc2c1OCCC[N@H+](Cc1c[nH+]c(CC3CCCC3)[nH]1)C2 ZINC000097394337 570486952 /nfs/dbraw/zinc/48/69/52/570486952.db2.gz MROBDHBGEIJDPY-UHFFFAOYSA-N 2 2 355.482 3.936 50 0 FHAALP COc1cccc2c1OCCC[N@@H+](Cc1c[nH+]c(CC3CCCC3)[nH]1)C2 ZINC000097394337 570486956 /nfs/dbraw/zinc/48/69/56/570486956.db2.gz MROBDHBGEIJDPY-UHFFFAOYSA-N 2 2 355.482 3.936 50 0 FHAALP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cn1 ZINC000012589701 570752416 /nfs/dbraw/zinc/75/24/16/570752416.db2.gz RNFIZHLHRBFCCM-FQEVSTJZSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3C)C2)cn1 ZINC000012589701 570752418 /nfs/dbraw/zinc/75/24/18/570752418.db2.gz RNFIZHLHRBFCCM-FQEVSTJZSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3C)C2)cn1 ZINC000012589701 570752421 /nfs/dbraw/zinc/75/24/21/570752421.db2.gz RNFIZHLHRBFCCM-FQEVSTJZSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3C)C2)cn1 ZINC000012589701 570752424 /nfs/dbraw/zinc/75/24/24/570752424.db2.gz RNFIZHLHRBFCCM-FQEVSTJZSA-N 2 2 354.542 3.598 50 0 FHAALP CN(C)[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000032735867 570790675 /nfs/dbraw/zinc/79/06/75/570790675.db2.gz REMOQXIWHIZBOE-FQEVSTJZSA-N 2 2 354.885 3.918 50 0 FHAALP CC1CC[NH+]([C@H](C[NH2+]C[C@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000022030057 570937791 /nfs/dbraw/zinc/93/77/91/570937791.db2.gz XVMDYZMIUIBHTN-AZUAARDMSA-N 2 2 374.550 3.551 50 0 FHAALP Cc1[nH+]ccn1CCC[NH+]1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1 ZINC000243932304 571113180 /nfs/dbraw/zinc/11/31/80/571113180.db2.gz BUOLJMYVDSYYGE-UHFFFAOYSA-N 2 2 363.509 3.775 50 0 FHAALP C[N@@H+](Cc1cc(-c2ccccn2)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000244708269 571114688 /nfs/dbraw/zinc/11/46/88/571114688.db2.gz KQKBDTACOSACJE-LJQANCHMSA-N 2 2 362.477 3.691 50 0 FHAALP C[N@H+](Cc1cc(-c2ccccn2)no1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000244708269 571114690 /nfs/dbraw/zinc/11/46/90/571114690.db2.gz KQKBDTACOSACJE-LJQANCHMSA-N 2 2 362.477 3.691 50 0 FHAALP C[NH+](Cc1cc(-c2ccccn2)no1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244708269 571114692 /nfs/dbraw/zinc/11/46/92/571114692.db2.gz KQKBDTACOSACJE-LJQANCHMSA-N 2 2 362.477 3.691 50 0 FHAALP C[NH+](Cc1cc(-c2ccccn2)no1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000244708269 571114694 /nfs/dbraw/zinc/11/46/94/571114694.db2.gz KQKBDTACOSACJE-LJQANCHMSA-N 2 2 362.477 3.691 50 0 FHAALP Fc1cccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)o2)c1 ZINC000072156268 571175145 /nfs/dbraw/zinc/17/51/45/571175145.db2.gz WEMFKCPWJYUBRU-GOSISDBHSA-N 2 2 358.461 3.716 50 0 FHAALP Fc1cccc(-c2nnc(C[N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)o2)c1 ZINC000072156268 571175146 /nfs/dbraw/zinc/17/51/46/571175146.db2.gz WEMFKCPWJYUBRU-GOSISDBHSA-N 2 2 358.461 3.716 50 0 FHAALP Cc1nc([C@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000072167234 571176662 /nfs/dbraw/zinc/17/66/62/571176662.db2.gz MQSNEFGIYFNMBO-HNNXBMFYSA-N 2 2 359.539 3.785 50 0 FHAALP Cc1nc([C@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000072167234 571176663 /nfs/dbraw/zinc/17/66/63/571176663.db2.gz MQSNEFGIYFNMBO-HNNXBMFYSA-N 2 2 359.539 3.785 50 0 FHAALP CNc1cc[nH+]c(N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072408977 571191330 /nfs/dbraw/zinc/19/13/30/571191330.db2.gz JOGUNXYPNGAJKF-IBGZPJMESA-N 2 2 353.514 3.793 50 0 FHAALP CNc1cc[nH+]c(N[C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072408977 571191333 /nfs/dbraw/zinc/19/13/33/571191333.db2.gz JOGUNXYPNGAJKF-IBGZPJMESA-N 2 2 353.514 3.793 50 0 FHAALP CNc1nc(N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH+]c2c1CCC2 ZINC000072427907 571194843 /nfs/dbraw/zinc/19/48/43/571194843.db2.gz NXFUTHJJSMAYJR-INIZCTEOSA-N 2 2 371.916 3.737 50 0 FHAALP CNc1nc(N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH+]c2c1CCC2 ZINC000072427907 571194844 /nfs/dbraw/zinc/19/48/44/571194844.db2.gz NXFUTHJJSMAYJR-INIZCTEOSA-N 2 2 371.916 3.737 50 0 FHAALP C[C@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CC12CCC[NH+]1CCC2 ZINC000077323466 571207842 /nfs/dbraw/zinc/20/78/42/571207842.db2.gz UDMYNEVYYVETAW-MRXNPFEDSA-N 2 2 353.466 3.586 50 0 FHAALP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](c4[nH+]ccn4C)C3)c(C)o2)cc1 ZINC000082083189 571227627 /nfs/dbraw/zinc/22/76/27/571227627.db2.gz ZXXCKAYQCFJZSV-KRWDZBQOSA-N 2 2 366.465 3.772 50 0 FHAALP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4[nH+]ccn4C)C3)c(C)o2)cc1 ZINC000082083189 571227628 /nfs/dbraw/zinc/22/76/28/571227628.db2.gz ZXXCKAYQCFJZSV-KRWDZBQOSA-N 2 2 366.465 3.772 50 0 FHAALP CC(C)c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082121386 571228792 /nfs/dbraw/zinc/22/87/92/571228792.db2.gz CZWPUQMLYBYKJK-GOSISDBHSA-N 2 2 365.481 3.817 50 0 FHAALP CC(C)c1noc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000082121386 571228793 /nfs/dbraw/zinc/22/87/93/571228793.db2.gz CZWPUQMLYBYKJK-GOSISDBHSA-N 2 2 365.481 3.817 50 0 FHAALP O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000426677462 571234753 /nfs/dbraw/zinc/23/47/53/571234753.db2.gz LNEWPGZNCILUDO-FQEVSTJZSA-N 2 2 366.509 3.806 50 0 FHAALP Clc1cccc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)c1 ZINC000040719557 205077079 /nfs/dbraw/zinc/07/70/79/205077079.db2.gz DBQCYMPJODFQSX-UHFFFAOYSA-N 2 2 374.912 3.731 50 0 FHAALP CC(C)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000040719423 205077297 /nfs/dbraw/zinc/07/72/97/205077297.db2.gz HHGITKVLFJQYQN-UHFFFAOYSA-N 2 2 352.276 3.613 50 0 FHAALP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C)n2)C1 ZINC000055270571 205212532 /nfs/dbraw/zinc/21/25/32/205212532.db2.gz GBICBKSTNMWILN-FQEVSTJZSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C)n2)C1 ZINC000055270571 205212534 /nfs/dbraw/zinc/21/25/34/205212534.db2.gz GBICBKSTNMWILN-FQEVSTJZSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(C)n2)C1 ZINC000055270571 205212537 /nfs/dbraw/zinc/21/25/37/205212537.db2.gz GBICBKSTNMWILN-FQEVSTJZSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(C)n2)C1 ZINC000055270571 205212539 /nfs/dbraw/zinc/21/25/39/205212539.db2.gz GBICBKSTNMWILN-FQEVSTJZSA-N 2 2 367.537 3.785 50 0 FHAALP COc1cccc(C[NH2+][C@H](C)c2ncccc2C)c1OCCn1cc[nH+]c1 ZINC000055414410 205219275 /nfs/dbraw/zinc/21/92/75/205219275.db2.gz WPMSFDCSPJXSBE-QGZVFWFLSA-N 2 2 366.465 3.525 50 0 FHAALP COc1cccc(C[NH2+][C@@H](C)c2ncccc2C)c1OCCn1cc[nH+]c1 ZINC000055414412 205219519 /nfs/dbraw/zinc/21/95/19/205219519.db2.gz WPMSFDCSPJXSBE-KRWDZBQOSA-N 2 2 366.465 3.525 50 0 FHAALP Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000058217814 205264032 /nfs/dbraw/zinc/26/40/32/205264032.db2.gz KKYAIEKTRKZKKB-NRFANRHFSA-N 2 2 374.488 3.535 50 0 FHAALP c1cc(C[NH+]2CCOCC2)cc(Oc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000067755982 205389344 /nfs/dbraw/zinc/38/93/44/205389344.db2.gz WETMXHSYEBBLNG-UHFFFAOYSA-N 2 2 352.478 3.907 50 0 FHAALP c1cn(CCCOc2ccc(C[N@@H+]3CCCC4(CCOCC4)C3)cc2)c[nH+]1 ZINC000215654818 206348993 /nfs/dbraw/zinc/34/89/93/206348993.db2.gz OKIUFFZEIOUVEU-UHFFFAOYSA-N 2 2 369.509 3.745 50 0 FHAALP c1cn(CCCOc2ccc(C[N@H+]3CCCC4(CCOCC4)C3)cc2)c[nH+]1 ZINC000215654818 206348999 /nfs/dbraw/zinc/34/89/99/206348999.db2.gz OKIUFFZEIOUVEU-UHFFFAOYSA-N 2 2 369.509 3.745 50 0 FHAALP CC[N@@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC000091664162 132203084 /nfs/dbraw/zinc/20/30/84/132203084.db2.gz PPANXFMGOJAWKY-UHFFFAOYSA-N 2 2 361.493 3.640 50 0 FHAALP CC[N@H+]1CCc2nc[nH]c2C12CCN(c1cc(C)c3ccccc3[nH+]1)CC2 ZINC000091664162 132203085 /nfs/dbraw/zinc/20/30/85/132203085.db2.gz PPANXFMGOJAWKY-UHFFFAOYSA-N 2 2 361.493 3.640 50 0 FHAALP CCSc1ncc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cn1 ZINC000072439718 136147678 /nfs/dbraw/zinc/14/76/78/136147678.db2.gz IXGYNYQRZJABNR-UHFFFAOYSA-N 2 2 369.538 3.619 50 0 FHAALP CCSc1ncc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cn1 ZINC000072439718 136147679 /nfs/dbraw/zinc/14/76/79/136147679.db2.gz IXGYNYQRZJABNR-UHFFFAOYSA-N 2 2 369.538 3.619 50 0 FHAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091468928 518958812 /nfs/dbraw/zinc/95/88/12/518958812.db2.gz SQGOIOPFKKNJCU-FQEVSTJZSA-N 2 2 368.525 3.714 50 0 FHAALP C[NH+](C)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1CCCO ZINC000091550353 522105729 /nfs/dbraw/zinc/10/57/29/522105729.db2.gz MCRRNZLLBLUBKY-UZLBHIALSA-N 2 2 360.473 3.610 50 0 FHAALP C[NH+](C)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1CCCO ZINC000091550353 522105741 /nfs/dbraw/zinc/10/57/41/522105741.db2.gz MCRRNZLLBLUBKY-UZLBHIALSA-N 2 2 360.473 3.610 50 0 FHAALP Cc1ccc(NC(=O)NCCC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000020889714 525156785 /nfs/dbraw/zinc/15/67/85/525156785.db2.gz SDEDIVNXZCCWKJ-UHFFFAOYSA-N 2 2 372.557 3.765 50 0 FHAALP Cc1cnn(CCC[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082166190 526261178 /nfs/dbraw/zinc/26/11/78/526261178.db2.gz YPJQNOBPVMNQLT-OAQYLSRUSA-N 2 2 363.509 3.706 50 0 FHAALP Cc1cnn(CCC[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082166190 526261180 /nfs/dbraw/zinc/26/11/80/526261180.db2.gz YPJQNOBPVMNQLT-OAQYLSRUSA-N 2 2 363.509 3.706 50 0 FHAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082092009 527412249 /nfs/dbraw/zinc/41/22/49/527412249.db2.gz KXBPHCOBOKWOQL-NRFANRHFSA-N 3 2 363.509 3.706 50 0 FHAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082092009 527412257 /nfs/dbraw/zinc/41/22/57/527412257.db2.gz KXBPHCOBOKWOQL-NRFANRHFSA-N 3 2 363.509 3.706 50 0 FHAALP CCc1ccc2[nH+]c(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)cc(C)c2c1 ZINC000055575479 535832322 /nfs/dbraw/zinc/83/23/22/535832322.db2.gz XOIORGKSMPLWDB-LJQANCHMSA-N 2 2 367.537 3.779 50 0 FHAALP CCc1ccc2[nH+]c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)cc(C)c2c1 ZINC000055575479 535832326 /nfs/dbraw/zinc/83/23/26/535832326.db2.gz XOIORGKSMPLWDB-LJQANCHMSA-N 2 2 367.537 3.779 50 0 FHAALP Cc1cc(C)c2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc(=O)oc2c1 ZINC000012445415 560212025 /nfs/dbraw/zinc/21/20/25/560212025.db2.gz DEZCXDHAJMKBQF-UHFFFAOYSA-N 2 2 354.494 3.860 50 0 biogenic,in-vitro FHAALP Cc1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)s1 ZINC000012593387 570752535 /nfs/dbraw/zinc/75/25/35/570752535.db2.gz GMRGUEKLTPMTNE-KRWDZBQOSA-N 2 2 361.530 3.977 50 0 FHAALP Cc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)s1 ZINC000012593387 570752539 /nfs/dbraw/zinc/75/25/39/570752539.db2.gz GMRGUEKLTPMTNE-KRWDZBQOSA-N 2 2 361.530 3.977 50 0 FHAALP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)s1 ZINC000012593387 570752543 /nfs/dbraw/zinc/75/25/43/570752543.db2.gz GMRGUEKLTPMTNE-KRWDZBQOSA-N 2 2 361.530 3.977 50 0 FHAALP Cc1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)s1 ZINC000012593387 570752546 /nfs/dbraw/zinc/75/25/46/570752546.db2.gz GMRGUEKLTPMTNE-KRWDZBQOSA-N 2 2 361.530 3.977 50 0 FHAALP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032927278 570867869 /nfs/dbraw/zinc/86/78/69/570867869.db2.gz AEDCGPXZRJSGOX-QGZVFWFLSA-N 2 2 368.525 3.572 50 0 FHAALP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000244882426 571118608 /nfs/dbraw/zinc/11/86/08/571118608.db2.gz XRMATJQYSZMNRT-OAHLLOKOSA-N 2 2 360.889 3.590 50 0 FHAALP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000244882426 571118611 /nfs/dbraw/zinc/11/86/11/571118611.db2.gz XRMATJQYSZMNRT-OAHLLOKOSA-N 2 2 360.889 3.590 50 0 FHAALP CCN(C)c1cc[nH+]c(NCc2ccc[nH+]c2N2CCc3ccccc3C2)n1 ZINC000067909269 571151790 /nfs/dbraw/zinc/15/17/90/571151790.db2.gz GWRUDPYXULGFGK-UHFFFAOYSA-N 2 2 374.492 3.503 50 0 FHAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC4CCC4)C3)C2)c1OC ZINC000072145524 571173076 /nfs/dbraw/zinc/17/30/76/571173076.db2.gz WIUMHUIGLWQYTB-QFIPXVFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CC4CCC4)C3)C2)c1OC ZINC000072145524 571173078 /nfs/dbraw/zinc/17/30/78/571173078.db2.gz WIUMHUIGLWQYTB-QFIPXVFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CC4CCC4)C3)C2)c1OC ZINC000072145524 571173079 /nfs/dbraw/zinc/17/30/79/571173079.db2.gz WIUMHUIGLWQYTB-QFIPXVFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC4CCC4)C3)C2)c1OC ZINC000072145524 571173081 /nfs/dbraw/zinc/17/30/81/571173081.db2.gz WIUMHUIGLWQYTB-QFIPXVFZSA-N 2 2 358.526 3.792 50 0 FHAALP Fc1cccc(-n2cc(C[N@@H+]3CCCC[C@@H]3CCn3cc[nH+]c3)cn2)c1 ZINC000077299534 571206825 /nfs/dbraw/zinc/20/68/25/571206825.db2.gz YRPYMLSXGIQGPN-LJQANCHMSA-N 2 2 353.445 3.653 50 0 FHAALP Fc1cccc(-n2cc(C[N@H+]3CCCC[C@@H]3CCn3cc[nH+]c3)cn2)c1 ZINC000077299534 571206827 /nfs/dbraw/zinc/20/68/27/571206827.db2.gz YRPYMLSXGIQGPN-LJQANCHMSA-N 2 2 353.445 3.653 50 0 FHAALP COc1cccc(-c2nc(C[NH+]3CCC(c4[nH+]ccn4C)CC3)c(C)o2)c1 ZINC000091526764 571240279 /nfs/dbraw/zinc/24/02/79/571240279.db2.gz NNJSLMZOLSWNEH-UHFFFAOYSA-N 2 2 366.465 3.772 50 0 FHAALP COCCO[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000257177215 942490594 /nfs/dbraw/zinc/49/05/94/942490594.db2.gz DMLBDJXONDLHFF-QFIPXVFZSA-N 2 2 372.553 3.701 50 0 FHAALP COCCO[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000257177215 942490599 /nfs/dbraw/zinc/49/05/99/942490599.db2.gz DMLBDJXONDLHFF-QFIPXVFZSA-N 2 2 372.553 3.701 50 0 FHAALP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2c[nH]c[nH+]2)cc1 ZINC000055119388 205208780 /nfs/dbraw/zinc/20/87/80/205208780.db2.gz FFEVJBIAGLGRSS-UHFFFAOYSA-N 2 2 361.424 3.734 50 0 FHAALP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCc2c[nH+]c[nH]2)cc1 ZINC000055119388 205208784 /nfs/dbraw/zinc/20/87/84/205208784.db2.gz FFEVJBIAGLGRSS-UHFFFAOYSA-N 2 2 361.424 3.734 50 0 FHAALP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2cccc(C)n2)C1 ZINC000055270573 205212460 /nfs/dbraw/zinc/21/24/60/205212460.db2.gz GBICBKSTNMWILN-HXUWFJFHSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2cccc(C)n2)C1 ZINC000055270573 205212465 /nfs/dbraw/zinc/21/24/65/205212465.db2.gz GBICBKSTNMWILN-HXUWFJFHSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2cccc(C)n2)C1 ZINC000055270573 205212467 /nfs/dbraw/zinc/21/24/67/205212467.db2.gz GBICBKSTNMWILN-HXUWFJFHSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2cccc(C)n2)C1 ZINC000055270573 205212472 /nfs/dbraw/zinc/21/24/72/205212472.db2.gz GBICBKSTNMWILN-HXUWFJFHSA-N 2 2 367.537 3.785 50 0 FHAALP Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000058217813 205263894 /nfs/dbraw/zinc/26/38/94/205263894.db2.gz KKYAIEKTRKZKKB-OAQYLSRUSA-N 2 2 374.488 3.535 50 0 FHAALP Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2OCCn2cc[nH+]c2)no1 ZINC000215288661 206345651 /nfs/dbraw/zinc/34/56/51/206345651.db2.gz WOAYGIYQMJVHMU-LJQANCHMSA-N 2 2 352.438 3.596 50 0 FHAALP Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2OCCn2cc[nH+]c2)no1 ZINC000215288661 206345654 /nfs/dbraw/zinc/34/56/54/206345654.db2.gz WOAYGIYQMJVHMU-LJQANCHMSA-N 2 2 352.438 3.596 50 0 FHAALP Cc1[nH]c2cc(CNC(=O)C3([NH+]4CCCCC4)CCCCC3)ccc2[nH+]1 ZINC000216471073 206359055 /nfs/dbraw/zinc/35/90/55/206359055.db2.gz GAYFUNZKZXINSF-UHFFFAOYSA-N 2 2 354.498 3.676 50 0 FHAALP Cc1[nH]c2ccc(CNC(=O)C3([NH+]4CCCCC4)CCCCC3)cc2[nH+]1 ZINC000216471073 206359060 /nfs/dbraw/zinc/35/90/60/206359060.db2.gz GAYFUNZKZXINSF-UHFFFAOYSA-N 2 2 354.498 3.676 50 0 FHAALP COCCn1cc[nH+]c1[C@@H]1CCCN(c2cc(C)c3ccc(F)cc3[nH+]2)C1 ZINC000095497756 132211712 /nfs/dbraw/zinc/21/17/12/132211712.db2.gz LUCAGOZAQKZIEB-MRXNPFEDSA-N 2 2 368.456 3.909 50 0 FHAALP Cc1noc(C)c1C[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082109426 526503401 /nfs/dbraw/zinc/50/34/01/526503401.db2.gz KRLSXRRMUUMEEO-IBGZPJMESA-N 2 2 350.466 3.916 50 0 FHAALP Cc1noc(C)c1C[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082109426 526503405 /nfs/dbraw/zinc/50/34/05/526503405.db2.gz KRLSXRRMUUMEEO-IBGZPJMESA-N 2 2 350.466 3.916 50 0 FHAALP Cc1ccc2[nH+]c(CN3C[C@H]4CC[C@@H]3C[N@H+](Cc3ccccc3)C4)cn2c1 ZINC000095354929 570452581 /nfs/dbraw/zinc/45/25/81/570452581.db2.gz BSWPFBFJZDZEHH-RBBKRZOGSA-N 2 2 360.505 3.739 50 0 FHAALP Cc1ccc2[nH+]c(CN3C[C@H]4CC[C@@H]3C[N@@H+](Cc3ccccc3)C4)cn2c1 ZINC000095354929 570452583 /nfs/dbraw/zinc/45/25/83/570452583.db2.gz BSWPFBFJZDZEHH-RBBKRZOGSA-N 2 2 360.505 3.739 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000095356157 570453376 /nfs/dbraw/zinc/45/33/76/570453376.db2.gz IWBUKFXSGYODNM-LJQANCHMSA-N 2 2 360.546 3.511 50 0 FHAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](C/C=C/c1ccc(F)cc1)CC2 ZINC000096164705 570478460 /nfs/dbraw/zinc/47/84/60/570478460.db2.gz UOKCUMFTBPUHIA-ONEGZZNKSA-N 2 2 368.500 3.821 50 0 FHAALP O=C(N[C@H](CCn1cc[nH+]c1)c1ccccc1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097173302 570484997 /nfs/dbraw/zinc/48/49/97/570484997.db2.gz GUCVIFJFBQUFRK-HXUWFJFHSA-N 2 2 371.444 3.835 50 0 FHAALP CCC[NH+]1CCC([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000004981357 570615837 /nfs/dbraw/zinc/61/58/37/570615837.db2.gz FCBIYBXBWZVPBD-UHFFFAOYSA-N 2 2 355.448 3.702 50 0 FHAALP Cc1nc[nH]c1C[N@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011936764 570712598 /nfs/dbraw/zinc/71/25/98/570712598.db2.gz DKHCPVUGZSMKND-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1nc[nH]c1C[N@@H+](C)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011936764 570712601 /nfs/dbraw/zinc/71/26/01/570712601.db2.gz DKHCPVUGZSMKND-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1nc[nH]c1C[NH+](C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011936764 570712604 /nfs/dbraw/zinc/71/26/04/570712604.db2.gz DKHCPVUGZSMKND-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1nc[nH]c1C[NH+](C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011936764 570712606 /nfs/dbraw/zinc/71/26/06/570712606.db2.gz DKHCPVUGZSMKND-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012441884 570746054 /nfs/dbraw/zinc/74/60/54/570746054.db2.gz ORORYZZDOOUFQI-HXUWFJFHSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012441884 570746057 /nfs/dbraw/zinc/74/60/57/570746057.db2.gz ORORYZZDOOUFQI-HXUWFJFHSA-N 2 2 354.542 3.598 50 0 FHAALP CC1CC[NH+]([C@H](C[NH2+]C[C@@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000019359810 570887331 /nfs/dbraw/zinc/88/73/31/570887331.db2.gz XVMDYZMIUIBHTN-UYAOXDASSA-N 2 2 374.550 3.551 50 0 FHAALP CC(C)COc1ccccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000072313446 571107211 /nfs/dbraw/zinc/10/72/11/571107211.db2.gz FWVREBZTPJUEIR-SFTDATJTSA-N 2 2 373.585 3.712 50 0 FHAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000252490771 571133026 /nfs/dbraw/zinc/13/30/26/571133026.db2.gz LAOROMNLQZNXCN-ZDUSSCGKSA-N 2 2 364.852 3.514 50 0 FHAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000252490771 571133028 /nfs/dbraw/zinc/13/30/28/571133028.db2.gz LAOROMNLQZNXCN-ZDUSSCGKSA-N 2 2 364.852 3.514 50 0 FHAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 ZINC000071754476 571165288 /nfs/dbraw/zinc/16/52/88/571165288.db2.gz WVMDJNGUMROVRY-QGZVFWFLSA-N 2 2 357.523 3.762 50 0 FHAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(=O)c2ccc(SC)cc2)C1 ZINC000071754476 571165290 /nfs/dbraw/zinc/16/52/90/571165290.db2.gz WVMDJNGUMROVRY-QGZVFWFLSA-N 2 2 357.523 3.762 50 0 FHAALP Oc1cc(CC[C@H]2CCCC[NH2+]2)cc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000071775523 571166566 /nfs/dbraw/zinc/16/65/66/571166566.db2.gz ODZVFRXDRGRNOT-HXUWFJFHSA-N 2 2 362.477 3.774 50 0 FHAALP CNc1cc[nH+]c(N[C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072408978 571191370 /nfs/dbraw/zinc/19/13/70/571191370.db2.gz JOGUNXYPNGAJKF-LJQANCHMSA-N 2 2 353.514 3.793 50 0 FHAALP CNc1cc[nH+]c(N[C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)n1 ZINC000072408978 571191372 /nfs/dbraw/zinc/19/13/72/571191372.db2.gz JOGUNXYPNGAJKF-LJQANCHMSA-N 2 2 353.514 3.793 50 0 FHAALP Cc1cccn2cc(CNC(=O)c3ccc([C@@H](C)[NH+]4CCCCC4)o3)[nH+]c12 ZINC000299757851 571192517 /nfs/dbraw/zinc/19/25/17/571192517.db2.gz KNWYMXJHWYCMLY-MRXNPFEDSA-N 2 2 366.465 3.713 50 0 FHAALP C[C@@H](C1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1)[NH+]1CCOCC1 ZINC000072427952 571194904 /nfs/dbraw/zinc/19/49/04/571194904.db2.gz XSDGKNLPPPPSHH-ZDUSSCGKSA-N 2 2 358.860 3.551 50 0 FHAALP c1csc(-c2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCC4)C3)cn2)c1 ZINC000077286620 571206276 /nfs/dbraw/zinc/20/62/76/571206276.db2.gz MGTOYSLGFZSLIU-KRWDZBQOSA-N 2 2 356.539 3.903 50 0 FHAALP c1csc(-c2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCC4)C3)cn2)c1 ZINC000077286620 571206277 /nfs/dbraw/zinc/20/62/77/571206277.db2.gz MGTOYSLGFZSLIU-KRWDZBQOSA-N 2 2 356.539 3.903 50 0 FHAALP OC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091434617 571239645 /nfs/dbraw/zinc/23/96/45/571239645.db2.gz GBEPQJPYGPWCJC-IAGOWNOFSA-N 2 2 371.352 3.910 50 0 FHAALP OC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091434617 571239647 /nfs/dbraw/zinc/23/96/47/571239647.db2.gz GBEPQJPYGPWCJC-IAGOWNOFSA-N 2 2 371.352 3.910 50 0 FHAALP C[NH+]1CCN(c2cc3c(n[nH+]2)N(Cc2ccccc2)c2ccccc2N3)CC1 ZINC000221529789 571309497 /nfs/dbraw/zinc/30/94/97/571309497.db2.gz PILRAFDSXLZALX-UHFFFAOYSA-N 2 2 372.476 3.624 50 0 FHAALP O[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000096747832 571336353 /nfs/dbraw/zinc/33/63/53/571336353.db2.gz FVFGFWREHFZIBY-KRWDZBQOSA-N 2 2 365.304 3.502 50 0 FHAALP O[C@@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000096747832 571336354 /nfs/dbraw/zinc/33/63/54/571336354.db2.gz FVFGFWREHFZIBY-KRWDZBQOSA-N 2 2 365.304 3.502 50 0 FHAALP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1[nH]nc2c1CCCCC2 ZINC000670457616 571355202 /nfs/dbraw/zinc/35/52/02/571355202.db2.gz KUXIJNPLCPXOFC-UHFFFAOYSA-N 2 2 358.555 3.968 50 0 FHAALP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1[nH]nc2c1CCCCC2 ZINC000670457616 571355203 /nfs/dbraw/zinc/35/52/03/571355203.db2.gz KUXIJNPLCPXOFC-UHFFFAOYSA-N 2 2 358.555 3.968 50 0 FHAALP COc1ccccc1Nc1[nH+]cnc2c1c(C)c(C)n2CCC[NH+](C)C ZINC000005345488 204204063 /nfs/dbraw/zinc/20/40/63/204204063.db2.gz OCCMEOCPLGLVGC-UHFFFAOYSA-N 2 2 353.470 3.752 50 0 FHAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1c(C)c(C)n2-c1cc[nH+]cc1 ZINC000005346120 204204750 /nfs/dbraw/zinc/20/47/50/204204750.db2.gz HCJHMXMFNZHBBU-UHFFFAOYSA-N 3 2 352.486 3.576 50 0 FHAALP Cc1c(C)n(Cc2ccccc2)c2nc[nH+]c(NCCCn3cc[nH+]c3)c12 ZINC000006664938 204259081 /nfs/dbraw/zinc/25/90/81/204259081.db2.gz HYRYUIBTLWXVHH-UHFFFAOYSA-N 2 2 360.465 3.795 50 0 FHAALP O[C@@H]1C[N@H+](Cc2ccccc2-c2ccco2)CC[C@H]1[NH+]1CCCCCC1 ZINC000039380921 205044489 /nfs/dbraw/zinc/04/44/89/205044489.db2.gz QDPUVJULHGAULD-NHCUHLMSSA-N 2 2 354.494 3.758 50 0 FHAALP O[C@@H]1C[N@@H+](Cc2ccccc2-c2ccco2)CC[C@H]1[NH+]1CCCCCC1 ZINC000039380921 205044493 /nfs/dbraw/zinc/04/44/93/205044493.db2.gz QDPUVJULHGAULD-NHCUHLMSSA-N 2 2 354.494 3.758 50 0 FHAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099268 205207483 /nfs/dbraw/zinc/20/74/83/205207483.db2.gz XHDUPSYTERWVQT-NRFANRHFSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099268 205207488 /nfs/dbraw/zinc/20/74/88/205207488.db2.gz XHDUPSYTERWVQT-NRFANRHFSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099268 205207492 /nfs/dbraw/zinc/20/74/92/205207492.db2.gz XHDUPSYTERWVQT-NRFANRHFSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099268 205207495 /nfs/dbraw/zinc/20/74/95/205207495.db2.gz XHDUPSYTERWVQT-NRFANRHFSA-N 2 2 367.537 3.785 50 0 FHAALP OCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)o1 ZINC000055183175 205209472 /nfs/dbraw/zinc/20/94/72/205209472.db2.gz XGJLPRKKSIGYEW-HSZRJFAPSA-N 2 2 368.521 3.693 50 0 FHAALP OCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCCc2ccccc2)C3)o1 ZINC000055183175 205209475 /nfs/dbraw/zinc/20/94/75/205209475.db2.gz XGJLPRKKSIGYEW-HSZRJFAPSA-N 2 2 368.521 3.693 50 0 FHAALP OCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)o1 ZINC000055183175 205209479 /nfs/dbraw/zinc/20/94/79/205209479.db2.gz XGJLPRKKSIGYEW-HSZRJFAPSA-N 2 2 368.521 3.693 50 0 FHAALP OCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)o1 ZINC000055183175 205209484 /nfs/dbraw/zinc/20/94/84/205209484.db2.gz XGJLPRKKSIGYEW-HSZRJFAPSA-N 2 2 368.521 3.693 50 0 FHAALP c1cn(CC[N@@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)c[nH+]1 ZINC000067491334 205373689 /nfs/dbraw/zinc/37/36/89/205373689.db2.gz FZUICPRJBRVEGF-UHFFFAOYSA-N 2 2 369.472 3.999 50 0 FHAALP c1cn(CC[N@H+]2CCc3[nH]nc(-c4ccc(-c5ccccc5)cc4)c3C2)c[nH+]1 ZINC000067491334 205373694 /nfs/dbraw/zinc/37/36/94/205373694.db2.gz FZUICPRJBRVEGF-UHFFFAOYSA-N 2 2 369.472 3.999 50 0 FHAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1c(C)c(C)n2-c1ccccn1 ZINC000005346415 206194948 /nfs/dbraw/zinc/19/49/48/206194948.db2.gz FKXMUONUSHOOKF-UHFFFAOYSA-N 2 2 352.486 3.576 50 0 FHAALP COc1cccc(-c2ncc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)s2)c1 ZINC000215801374 206351718 /nfs/dbraw/zinc/35/17/18/206351718.db2.gz NTNGASLMDCUFAF-UHFFFAOYSA-N 2 2 354.479 3.921 50 0 FHAALP Cc1cc(N2CCC([NH2+]CCCc3ccc(O)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000095522864 132214223 /nfs/dbraw/zinc/21/42/23/132214223.db2.gz ORIROQLAXINEHQ-UHFFFAOYSA-N 2 2 368.525 3.805 50 0 FHAALP CC[N@H+](Cc1ccncc1)[C@H]1CCCN(c2cc(C(C)C)[nH+]c(C)n2)C1 ZINC000072147758 136142737 /nfs/dbraw/zinc/14/27/37/136142737.db2.gz IJMFOXUAILVGLP-IBGZPJMESA-N 2 2 353.514 3.794 50 0 FHAALP CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(c2cc(C(C)C)[nH+]c(C)n2)C1 ZINC000072147758 136142738 /nfs/dbraw/zinc/14/27/38/136142738.db2.gz IJMFOXUAILVGLP-IBGZPJMESA-N 2 2 353.514 3.794 50 0 FHAALP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(SC4CCCCC4)o3)C2)CC1 ZINC000216456187 523919535 /nfs/dbraw/zinc/91/95/35/523919535.db2.gz BLAIDAYKWLAPAM-QGZVFWFLSA-N 2 2 363.571 3.526 50 0 FHAALP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(SC4CCCCC4)o3)C2)CC1 ZINC000216456187 523919545 /nfs/dbraw/zinc/91/95/45/523919545.db2.gz BLAIDAYKWLAPAM-QGZVFWFLSA-N 2 2 363.571 3.526 50 0 FHAALP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091656374 524110300 /nfs/dbraw/zinc/11/03/00/524110300.db2.gz IMOQMNMPBXTHSF-SFHVURJKSA-N 2 2 372.557 3.654 50 0 FHAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](CC[C@H](C)c1ccc(C)o1)CC2 ZINC000091894541 570441904 /nfs/dbraw/zinc/44/19/04/570441904.db2.gz DSRGQRKDVRBTOK-INIZCTEOSA-N 2 2 356.514 3.674 50 0 FHAALP O=c1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)[nH]c2ccc(F)cc12 ZINC000091943691 570442951 /nfs/dbraw/zinc/44/29/51/570442951.db2.gz DFCWCCGBCLFZHZ-UHFFFAOYSA-N 2 2 352.413 3.551 50 0 FHAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000095375908 570457231 /nfs/dbraw/zinc/45/72/31/570457231.db2.gz MCYMVURUFVGVOZ-GOSISDBHSA-N 2 2 360.546 3.873 50 0 FHAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000095375908 570457233 /nfs/dbraw/zinc/45/72/33/570457233.db2.gz MCYMVURUFVGVOZ-GOSISDBHSA-N 2 2 360.546 3.873 50 0 FHAALP C[N@@H+]1C[C@H](c2ccccc2)CC12CC[NH+](C1CSCCSC1)CC2 ZINC000095504101 570463710 /nfs/dbraw/zinc/46/37/10/570463710.db2.gz YXZYZNNRRZPCQJ-GOSISDBHSA-N 2 2 362.608 3.789 50 0 FHAALP C[N@H+]1C[C@H](c2ccccc2)CC12CC[NH+](C1CSCCSC1)CC2 ZINC000095504101 570463713 /nfs/dbraw/zinc/46/37/13/570463713.db2.gz YXZYZNNRRZPCQJ-GOSISDBHSA-N 2 2 362.608 3.789 50 0 FHAALP C[N@@H+]1C[C@@H](c2ccccc2)CC12CC[NH+](C1CSCCSC1)CC2 ZINC000095504102 570463756 /nfs/dbraw/zinc/46/37/56/570463756.db2.gz YXZYZNNRRZPCQJ-SFHVURJKSA-N 2 2 362.608 3.789 50 0 FHAALP C[N@H+]1C[C@@H](c2ccccc2)CC12CC[NH+](C1CSCCSC1)CC2 ZINC000095504102 570463759 /nfs/dbraw/zinc/46/37/59/570463759.db2.gz YXZYZNNRRZPCQJ-SFHVURJKSA-N 2 2 362.608 3.789 50 0 FHAALP Cc1ccc([C@@H]2CN(C(=O)c3cccc(-c4[nH]cc[nH+]4)c3)C[C@H]2[NH+](C)C)cc1 ZINC000095519488 570466863 /nfs/dbraw/zinc/46/68/63/570466863.db2.gz SCJBRNGEUQJVSF-LEWJYISDSA-N 2 2 374.488 3.555 50 0 FHAALP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000108095135 570902727 /nfs/dbraw/zinc/90/27/27/570902727.db2.gz SAWRYBBRTMXXEP-YLJYHZDGSA-N 2 2 354.494 3.671 50 0 FHAALP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000108095135 570902732 /nfs/dbraw/zinc/90/27/32/570902732.db2.gz SAWRYBBRTMXXEP-YLJYHZDGSA-N 2 2 354.494 3.671 50 0 FHAALP CCc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCOCC2)cc1 ZINC000019771579 570902867 /nfs/dbraw/zinc/90/28/67/570902867.db2.gz XXPRWZUUTAFRAO-UHFFFAOYSA-N 2 2 374.488 3.851 50 0 FHAALP Clc1ccccc1COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000022074028 570939200 /nfs/dbraw/zinc/93/92/00/570939200.db2.gz ZQOPFOHTNZXWQD-UHFFFAOYSA-N 2 2 374.912 3.731 50 0 FHAALP C[C@H](c1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)o1)[NH+]1CCCCC1 ZINC000072424369 571193818 /nfs/dbraw/zinc/19/38/18/571193818.db2.gz MQWCRXGWKFPKFA-OAHLLOKOSA-N 2 2 356.470 3.569 50 0 FHAALP COc1cccc([C@H](CNc2cc(C)[nH+]c(-c3ccncc3)n2)[NH+](C)C)c1 ZINC000060112824 205284332 /nfs/dbraw/zinc/28/43/32/205284332.db2.gz FFIWYFFABUXGAY-IBGZPJMESA-N 2 2 363.465 3.570 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](C1CC[NH2+]CC1)C2 ZINC000067675874 205382198 /nfs/dbraw/zinc/38/21/98/205382198.db2.gz LPMVGXHESLGFAX-UHFFFAOYSA-N 2 2 358.869 3.659 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](C1CC[NH2+]CC1)C2 ZINC000067675874 205382203 /nfs/dbraw/zinc/38/22/03/205382203.db2.gz LPMVGXHESLGFAX-UHFFFAOYSA-N 2 2 358.869 3.659 50 0 FHAALP Cc1ccc(N2CCC([NH2+]Cc3ccc(Br)o3)CC2)[nH+]c1 ZINC000170089068 132264202 /nfs/dbraw/zinc/26/42/02/132264202.db2.gz CVACHZZAXOQCID-UHFFFAOYSA-N 2 2 350.260 3.504 50 0 FHAALP CCCCc1[nH]c(CN(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000019794601 521291443 /nfs/dbraw/zinc/29/14/43/521291443.db2.gz BHPGGHYAAXHTDP-NRFANRHFSA-N 2 2 366.553 3.816 50 0 FHAALP CCCCc1[nH]c(CN(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000019794601 521291453 /nfs/dbraw/zinc/29/14/53/521291453.db2.gz BHPGGHYAAXHTDP-NRFANRHFSA-N 2 2 366.553 3.816 50 0 FHAALP CCCCc1[nH]cc(CN(C)[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019794601 521291461 /nfs/dbraw/zinc/29/14/61/521291461.db2.gz BHPGGHYAAXHTDP-NRFANRHFSA-N 2 2 366.553 3.816 50 0 FHAALP CCCCc1[nH]cc(CN(C)[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019794601 521291469 /nfs/dbraw/zinc/29/14/69/521291469.db2.gz BHPGGHYAAXHTDP-NRFANRHFSA-N 2 2 366.553 3.816 50 0 FHAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000241161276 524633078 /nfs/dbraw/zinc/63/30/78/524633078.db2.gz JZPWWFKOFOUMQN-WMZHIEFXSA-N 2 2 360.505 3.542 50 0 FHAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000241161276 524633083 /nfs/dbraw/zinc/63/30/83/524633083.db2.gz JZPWWFKOFOUMQN-WMZHIEFXSA-N 2 2 360.505 3.542 50 0 FHAALP Cc1c(C)n(C2CCCCC2)c2nc[nH+]c(NCCC[NH+]3CCOCC3)c12 ZINC000020650336 525681146 /nfs/dbraw/zinc/68/11/46/525681146.db2.gz MBGVJBAXCPFHQY-UHFFFAOYSA-N 2 2 371.529 3.688 50 0 FHAALP Clc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccccc1 ZINC000020477835 526926284 /nfs/dbraw/zinc/92/62/84/526926284.db2.gz NEDXOEXCBDQKKJ-UHFFFAOYSA-N 2 2 374.912 3.731 50 0 FHAALP CCCOC[C@@H]1CC[N@@H+](C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000095498669 535234357 /nfs/dbraw/zinc/23/43/57/535234357.db2.gz XPPOSLCRDWNVQA-GOSISDBHSA-N 2 2 360.546 3.626 50 0 FHAALP CCCOC[C@@H]1CC[N@H+](C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000095498669 535234363 /nfs/dbraw/zinc/23/43/63/535234363.db2.gz XPPOSLCRDWNVQA-GOSISDBHSA-N 2 2 360.546 3.626 50 0 FHAALP CCN1CCc2[nH+]c[nH]c2C12CC[NH+](CC[C@@H](C)c1ccc(C)o1)CC2 ZINC000091894538 570442113 /nfs/dbraw/zinc/44/21/13/570442113.db2.gz DSRGQRKDVRBTOK-MRXNPFEDSA-N 2 2 356.514 3.674 50 0 FHAALP CCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000091988307 570444487 /nfs/dbraw/zinc/44/44/87/570444487.db2.gz FELZKGYLRYBGFA-KRWDZBQOSA-N 2 2 353.445 3.607 50 0 FHAALP CCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000091988307 570444489 /nfs/dbraw/zinc/44/44/89/570444489.db2.gz FELZKGYLRYBGFA-KRWDZBQOSA-N 2 2 353.445 3.607 50 0 FHAALP c1c([C@@H]2CCC[NH2+]C2)nnn1CC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095375391 570457183 /nfs/dbraw/zinc/45/71/83/570457183.db2.gz ZJCPJNOMSSCVFX-OFLPRAFFSA-N 2 2 364.497 3.595 50 0 FHAALP Cc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095497539 570462373 /nfs/dbraw/zinc/46/23/73/570462373.db2.gz YGRRTUHBFZXIDA-SFHVURJKSA-N 2 2 369.513 3.555 50 0 FHAALP Fc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1F ZINC000011668082 570705156 /nfs/dbraw/zinc/70/51/56/570705156.db2.gz NXXAYIWCUJDFSC-NRFANRHFSA-N 2 2 357.448 3.848 50 0 FHAALP Fc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1F ZINC000011668082 570705158 /nfs/dbraw/zinc/70/51/58/570705158.db2.gz NXXAYIWCUJDFSC-NRFANRHFSA-N 2 2 357.448 3.848 50 0 FHAALP Fc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1F ZINC000011668082 570705160 /nfs/dbraw/zinc/70/51/60/570705160.db2.gz NXXAYIWCUJDFSC-NRFANRHFSA-N 2 2 357.448 3.848 50 0 FHAALP Fc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1F ZINC000011668082 570705161 /nfs/dbraw/zinc/70/51/61/570705161.db2.gz NXXAYIWCUJDFSC-NRFANRHFSA-N 2 2 357.448 3.848 50 0 FHAALP Fc1ccc(N[C@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1 ZINC000011821062 570708946 /nfs/dbraw/zinc/70/89/46/570708946.db2.gz HPAQVXXTKCFORW-NRFANRHFSA-N 2 2 368.500 3.762 50 0 FHAALP Fc1ccc(N[C@H]2CCC[N@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1 ZINC000011821062 570708947 /nfs/dbraw/zinc/70/89/47/570708947.db2.gz HPAQVXXTKCFORW-NRFANRHFSA-N 2 2 368.500 3.762 50 0 FHAALP Cc1cccc(Cl)c1OCC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000032587389 571058777 /nfs/dbraw/zinc/05/87/77/571058777.db2.gz ZHIGYGOZGSOWTA-UHFFFAOYSA-N 2 2 374.912 3.649 50 0 FHAALP Cc1[nH+]cnc(N2CCC([C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)c1C ZINC000072140176 571172148 /nfs/dbraw/zinc/17/21/48/571172148.db2.gz VIMICXIYHYLSLE-JOCHJYFZSA-N 2 2 364.537 3.874 50 0 FHAALP Cc1[nH+]cnc(N2CCC([C@@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)c1C ZINC000072140176 571172150 /nfs/dbraw/zinc/17/21/50/571172150.db2.gz VIMICXIYHYLSLE-JOCHJYFZSA-N 2 2 364.537 3.874 50 0 FHAALP Cc1cc(N2CCC[N@H+](Cc3cnc(CC4CCCC4)[nH]3)CC2)cc[nH+]1 ZINC000072164036 571176379 /nfs/dbraw/zinc/17/63/79/571176379.db2.gz ULPCEEXXWLXKIY-UHFFFAOYSA-N 2 2 353.514 3.558 50 0 FHAALP Cc1cc(N2CCC[N@@H+](Cc3cnc(CC4CCCC4)[nH]3)CC2)cc[nH+]1 ZINC000072164036 571176382 /nfs/dbraw/zinc/17/63/82/571176382.db2.gz ULPCEEXXWLXKIY-UHFFFAOYSA-N 2 2 353.514 3.558 50 0 FHAALP Cc1ccc(C[N@@H+](C)Cc2cc3n(n2)CCCN(c2cc[nH+]cc2)C3)s1 ZINC000072432002 571195751 /nfs/dbraw/zinc/19/57/51/571195751.db2.gz AQWCOEORDLCEIL-UHFFFAOYSA-N 2 2 367.522 3.690 50 0 FHAALP Cc1ccc(C[N@H+](C)Cc2cc3n(n2)CCCN(c2cc[nH+]cc2)C3)s1 ZINC000072432002 571195754 /nfs/dbraw/zinc/19/57/54/571195754.db2.gz AQWCOEORDLCEIL-UHFFFAOYSA-N 2 2 367.522 3.690 50 0 FHAALP Cc1c[nH]c(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@@H]3C)c2)[nH+]1 ZINC000299788441 571200101 /nfs/dbraw/zinc/20/01/01/571200101.db2.gz SNLIPFIQHGZWFP-INIZCTEOSA-N 2 2 355.486 3.756 50 0 FHAALP Cc1c[nH]c(CN(C)C(=O)Nc2cccc(C[N@@H+]3CCCC[C@@H]3C)c2)[nH+]1 ZINC000299788441 571200104 /nfs/dbraw/zinc/20/01/04/571200104.db2.gz SNLIPFIQHGZWFP-INIZCTEOSA-N 2 2 355.486 3.756 50 0 FHAALP Fc1cccc(-n2cc(C[N@@H+]3CCCC[C@H]3CCn3cc[nH+]c3)cn2)c1 ZINC000077299536 571206681 /nfs/dbraw/zinc/20/66/81/571206681.db2.gz YRPYMLSXGIQGPN-IBGZPJMESA-N 2 2 353.445 3.653 50 0 FHAALP Fc1cccc(-n2cc(C[N@H+]3CCCC[C@H]3CCn3cc[nH+]c3)cn2)c1 ZINC000077299536 571206684 /nfs/dbraw/zinc/20/66/84/571206684.db2.gz YRPYMLSXGIQGPN-IBGZPJMESA-N 2 2 353.445 3.653 50 0 FHAALP C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2ccc3c[nH+]c(N)cc3c2)cc1 ZINC000534666871 571208512 /nfs/dbraw/zinc/20/85/12/571208512.db2.gz APVDXEDOIFERGV-NRFANRHFSA-N 2 2 374.488 3.528 50 0 FHAALP C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2ccc3c[nH+]c(N)cc3c2)cc1 ZINC000534666871 571208515 /nfs/dbraw/zinc/20/85/15/571208515.db2.gz APVDXEDOIFERGV-NRFANRHFSA-N 2 2 374.488 3.528 50 0 FHAALP Cc1cc(-c2ccc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)cc2)cc(C)[nH+]1 ZINC000426698158 571235528 /nfs/dbraw/zinc/23/55/28/571235528.db2.gz CKYVDTDTBRRORX-UHFFFAOYSA-N 2 2 372.472 3.723 50 0 FHAALP C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020998818 571332139 /nfs/dbraw/zinc/33/21/39/571332139.db2.gz WATFVIOMNZUQER-OAHLLOKOSA-N 2 2 354.416 3.694 50 0 FHAALP C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020998818 571332140 /nfs/dbraw/zinc/33/21/40/571332140.db2.gz WATFVIOMNZUQER-OAHLLOKOSA-N 2 2 354.416 3.694 50 0 FHAALP CC[NH+](CC)CCOCC[N@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1 ZINC000096010187 571333938 /nfs/dbraw/zinc/33/39/38/571333938.db2.gz PMHOTAKJSLIZCL-UHFFFAOYSA-N 2 2 374.529 3.554 50 0 FHAALP CC[NH+](CC)CCOCC[N@@H+](Cc1nnc(C(C)C)o1)Cc1ccccc1 ZINC000096010187 571333939 /nfs/dbraw/zinc/33/39/39/571333939.db2.gz PMHOTAKJSLIZCL-UHFFFAOYSA-N 2 2 374.529 3.554 50 0 FHAALP Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000096153575 939202280 /nfs/dbraw/zinc/20/22/80/939202280.db2.gz UKMUYYMMUTWPFZ-FQEVSTJZSA-N 2 2 353.514 3.580 50 0 FHAALP Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)n(C2CC[NH+](C)CC2)n1 ZINC000096153575 939202283 /nfs/dbraw/zinc/20/22/83/939202283.db2.gz UKMUYYMMUTWPFZ-FQEVSTJZSA-N 2 2 353.514 3.580 50 0 FHAALP COc1cccc(NC(=O)[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc2)c1 ZINC000003280542 204087649 /nfs/dbraw/zinc/08/76/49/204087649.db2.gz NQHHMBWKJXCDBX-FQEVSTJZSA-N 2 2 369.509 3.552 50 0 FHAALP C[C@@H](CC[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1)[NH+]1CCCC1 ZINC000067431848 205370814 /nfs/dbraw/zinc/37/08/14/205370814.db2.gz GWWOCTNSUPUOJT-SFHVURJKSA-N 2 2 363.509 3.703 50 0 FHAALP C[C@@H](CC[N@@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1)[NH+]1CCCC1 ZINC000067431848 205370818 /nfs/dbraw/zinc/37/08/18/205370818.db2.gz GWWOCTNSUPUOJT-SFHVURJKSA-N 2 2 363.509 3.703 50 0 FHAALP c1cc(CN2CCc3[nH+]c[nH]c3[C@@H]2c2ccsc2)n(-c2cc[nH+]cc2)c1 ZINC000067755339 205388643 /nfs/dbraw/zinc/38/86/43/205388643.db2.gz ARWUCUUKHHHCRE-FQEVSTJZSA-N 2 2 361.474 3.805 50 0 FHAALP COc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775567 205925788 /nfs/dbraw/zinc/92/57/88/205925788.db2.gz BSVJDTKIUZLZLX-HSZRJFAPSA-N 2 2 366.505 3.865 50 0 FHAALP COc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775567 205925791 /nfs/dbraw/zinc/92/57/91/205925791.db2.gz BSVJDTKIUZLZLX-HSZRJFAPSA-N 2 2 366.505 3.865 50 0 FHAALP COc1cc2c(cc1C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)O[C@@H](C)C2 ZINC000022771322 206392232 /nfs/dbraw/zinc/39/22/32/206392232.db2.gz VZPCDOPLRKFMMN-KRWDZBQOSA-N 2 2 366.505 3.773 50 0 FHAALP c1cc2c(nc[nH+]c2N2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)[nH]1 ZINC000082170753 132198093 /nfs/dbraw/zinc/19/80/93/132198093.db2.gz VCZWRMPDEOVAIS-KRWDZBQOSA-N 2 2 358.449 3.587 50 0 FHAALP Cc1c(C)n(CCC[NH+]2CCOCC2)c2nc[nH+]c(NC3CCCCC3)c12 ZINC000020589114 525682777 /nfs/dbraw/zinc/68/27/77/525682777.db2.gz BCZCTWJPKMHDEK-UHFFFAOYSA-N 2 2 371.529 3.515 50 0 FHAALP COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095371420 570456312 /nfs/dbraw/zinc/45/63/12/570456312.db2.gz GJBJSOVVHHKRKB-QGZVFWFLSA-N 2 2 368.506 3.776 50 0 FHAALP COc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095371420 570456315 /nfs/dbraw/zinc/45/63/15/570456315.db2.gz GJBJSOVVHHKRKB-QGZVFWFLSA-N 2 2 368.506 3.776 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000095375678 570457451 /nfs/dbraw/zinc/45/74/51/570457451.db2.gz UAHCMVCQTYLRRZ-QGZVFWFLSA-N 2 2 374.916 3.508 50 0 FHAALP O=C(N[C@@H](CCn1cc[nH+]c1)c1ccccc1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097173305 570484978 /nfs/dbraw/zinc/48/49/78/570484978.db2.gz GUCVIFJFBQUFRK-FQEVSTJZSA-N 2 2 371.444 3.835 50 0 FHAALP CN(C)c1nc(Cl)c(C[N@H+](C)Cc2cccc(C[NH+](C)C)c2)s1 ZINC000097529072 570489807 /nfs/dbraw/zinc/48/98/07/570489807.db2.gz URTSNGSKLZSECA-UHFFFAOYSA-N 2 2 352.935 3.556 50 0 FHAALP CN(C)c1nc(Cl)c(C[N@@H+](C)Cc2cccc(C[NH+](C)C)c2)s1 ZINC000097529072 570489809 /nfs/dbraw/zinc/48/98/09/570489809.db2.gz URTSNGSKLZSECA-UHFFFAOYSA-N 2 2 352.935 3.556 50 0 FHAALP CC(C)n1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000097602565 570491298 /nfs/dbraw/zinc/49/12/98/570491298.db2.gz ZBHDWUZLVJUXAX-QGZVFWFLSA-N 2 2 370.497 3.673 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012317577 570736160 /nfs/dbraw/zinc/73/61/60/570736160.db2.gz HODIZAQZJBNWDG-IBGZPJMESA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012317577 570736162 /nfs/dbraw/zinc/73/61/62/570736162.db2.gz HODIZAQZJBNWDG-IBGZPJMESA-N 2 2 374.960 3.943 50 0 FHAALP Cc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000032717254 570778251 /nfs/dbraw/zinc/77/82/51/570778251.db2.gz QVGYPRGPMYBFNF-UHFFFAOYSA-N 2 2 374.916 3.763 50 0 FHAALP CC[N@@H+](Cc1nccs1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015067165 570830911 /nfs/dbraw/zinc/83/09/11/570830911.db2.gz XMYIYEDTLRYFED-IBGZPJMESA-N 2 2 373.566 3.928 50 0 FHAALP CC[N@H+](Cc1nccs1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015067165 570830913 /nfs/dbraw/zinc/83/09/13/570830913.db2.gz XMYIYEDTLRYFED-IBGZPJMESA-N 2 2 373.566 3.928 50 0 FHAALP CC[NH+](Cc1nccs1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000015067165 570830915 /nfs/dbraw/zinc/83/09/15/570830915.db2.gz XMYIYEDTLRYFED-IBGZPJMESA-N 2 2 373.566 3.928 50 0 FHAALP CC[NH+](Cc1nccs1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000015067165 570830921 /nfs/dbraw/zinc/83/09/21/570830921.db2.gz XMYIYEDTLRYFED-IBGZPJMESA-N 2 2 373.566 3.928 50 0 FHAALP Cc1c(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)cnn1C ZINC000019223529 570882551 /nfs/dbraw/zinc/88/25/51/570882551.db2.gz WTULLOBFZWSYCY-JOCHJYFZSA-N 2 2 354.542 3.681 50 0 FHAALP Cc1c(C[NH2+][C@@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)cnn1C ZINC000019223529 570882554 /nfs/dbraw/zinc/88/25/54/570882554.db2.gz WTULLOBFZWSYCY-JOCHJYFZSA-N 2 2 354.542 3.681 50 0 FHAALP CC1(C)CC([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC(C)(C)[NH2+]1 ZINC000225660727 571053646 /nfs/dbraw/zinc/05/36/46/571053646.db2.gz CFGRXOGGJUQGFG-UHFFFAOYSA-N 2 2 370.896 3.923 50 0 FHAALP Cc1cccc(C)c1OC[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000032541026 571058172 /nfs/dbraw/zinc/05/81/72/571058172.db2.gz HJQRCELSZATZRH-HXUWFJFHSA-N 2 2 368.521 3.693 50 0 FHAALP CC(C)COc1ccccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000072313447 571107132 /nfs/dbraw/zinc/10/71/32/571107132.db2.gz FWVREBZTPJUEIR-NHCUHLMSSA-N 2 2 373.585 3.712 50 0 FHAALP Cn1nc(C[N@@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c2c1cccc2Cl ZINC000077406326 571210270 /nfs/dbraw/zinc/21/02/70/571210270.db2.gz MEICEFSCZSYQCA-OAHLLOKOSA-N 2 2 357.889 3.868 50 0 FHAALP Cn1nc(C[N@H+]2CCCC[C@@H]2CCn2cc[nH+]c2)c2c1cccc2Cl ZINC000077406326 571210271 /nfs/dbraw/zinc/21/02/71/571210271.db2.gz MEICEFSCZSYQCA-OAHLLOKOSA-N 2 2 357.889 3.868 50 0 FHAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3nc(-c4ccccn4)no3)cc2)c[nH+]1 ZINC000077439486 571211753 /nfs/dbraw/zinc/21/17/53/571211753.db2.gz WBWRORYLFJKOKP-LJQANCHMSA-N 2 2 372.432 3.654 50 0 FHAALP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3nc(-c4ccccn4)no3)cc2)c[nH+]1 ZINC000077439486 571211756 /nfs/dbraw/zinc/21/17/56/571211756.db2.gz WBWRORYLFJKOKP-LJQANCHMSA-N 2 2 372.432 3.654 50 0 FHAALP Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000077488803 571213327 /nfs/dbraw/zinc/21/33/27/571213327.db2.gz XTJJDOJMLSBLAK-QGZVFWFLSA-N 2 2 363.465 3.667 50 0 FHAALP Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccccc1-c1[nH]cc[nH+]1 ZINC000077488802 571213478 /nfs/dbraw/zinc/21/34/78/571213478.db2.gz XTJJDOJMLSBLAK-KRWDZBQOSA-N 2 2 363.465 3.667 50 0 FHAALP Cc1[nH+]c2ccccc2n1CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000095369276 571329002 /nfs/dbraw/zinc/32/90/02/571329002.db2.gz QUXJWQSJYCPHEO-UHFFFAOYSA-N 2 2 356.857 3.569 50 0 FHAALP Cc1[nH+]c2ccccc2n1CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000095369276 571329003 /nfs/dbraw/zinc/32/90/03/571329003.db2.gz QUXJWQSJYCPHEO-UHFFFAOYSA-N 2 2 356.857 3.569 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000095435784 571329608 /nfs/dbraw/zinc/32/96/08/571329608.db2.gz VMSJZEUHXMUBOJ-HKUYNNGSSA-N 2 2 354.494 3.847 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000095435784 571329609 /nfs/dbraw/zinc/32/96/09/571329609.db2.gz VMSJZEUHXMUBOJ-HKUYNNGSSA-N 2 2 354.494 3.847 50 0 FHAALP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000095986440 571333441 /nfs/dbraw/zinc/33/34/41/571333441.db2.gz NKLNROKCUHYQHU-IFMALSPDSA-N 2 2 372.553 3.795 50 0 FHAALP C[C@@H]([NH2+][C@@H](C)c1nc(-c2cccnc2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000096007200 571333853 /nfs/dbraw/zinc/33/38/53/571333853.db2.gz KQEAFUDTBMLIGI-CABCVRRESA-N 2 2 360.421 3.729 50 0 FHAALP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000291059699 933876116 /nfs/dbraw/zinc/87/61/16/933876116.db2.gz CUZQXOMRBPKHED-SFHVURJKSA-N 2 2 374.447 3.514 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000067724151 205386876 /nfs/dbraw/zinc/38/68/76/205386876.db2.gz DLKJGKDHTHCJSC-OAHLLOKOSA-N 2 2 372.896 3.907 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C2 ZINC000067724151 205386878 /nfs/dbraw/zinc/38/68/78/205386878.db2.gz DLKJGKDHTHCJSC-OAHLLOKOSA-N 2 2 372.896 3.907 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](CCn1cc[nH+]c1)C2 ZINC000067833984 205395738 /nfs/dbraw/zinc/39/57/38/205395738.db2.gz KZPKICRDGMASQV-UHFFFAOYSA-N 2 2 369.852 3.804 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000067833984 205395742 /nfs/dbraw/zinc/39/57/42/205395742.db2.gz KZPKICRDGMASQV-UHFFFAOYSA-N 2 2 369.852 3.804 50 0 FHAALP c1c[nH]c([C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc2)n1 ZINC000095940779 205795265 /nfs/dbraw/zinc/79/52/65/205795265.db2.gz LXTUYRLBZZGGDT-NRFANRHFSA-N 2 2 357.461 3.576 50 0 FHAALP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc(Cl)c1OC ZINC000237363904 132376671 /nfs/dbraw/zinc/37/66/71/132376671.db2.gz GYLFRKNCKBHCLJ-UHFFFAOYSA-N 2 2 361.873 3.511 50 0 FHAALP Cc1cc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)ccc1F ZINC000082138931 524676059 /nfs/dbraw/zinc/67/60/59/524676059.db2.gz HIZMXGCZYUUKHD-UHFFFAOYSA-N 2 2 371.504 3.502 50 0 FHAALP Cc1cnn(CCC[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082166188 526261329 /nfs/dbraw/zinc/26/13/29/526261329.db2.gz YPJQNOBPVMNQLT-NRFANRHFSA-N 2 2 363.509 3.706 50 0 FHAALP Cc1cnn(CCC[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082166188 526261332 /nfs/dbraw/zinc/26/13/32/526261332.db2.gz YPJQNOBPVMNQLT-NRFANRHFSA-N 2 2 363.509 3.706 50 0 FHAALP O=C1CC[C@@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082135142 526992482 /nfs/dbraw/zinc/99/24/82/526992482.db2.gz NFKGLVSDRCSCEE-JOCHJYFZSA-N 2 2 372.557 3.627 50 0 FHAALP O=C1CC[C@@]2(CCC[N@@H+](CCCC3CCCC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082135142 526992490 /nfs/dbraw/zinc/99/24/90/526992490.db2.gz NFKGLVSDRCSCEE-JOCHJYFZSA-N 2 2 372.557 3.627 50 0 FHAALP O=C1CC[C@@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082135142 526992497 /nfs/dbraw/zinc/99/24/97/526992497.db2.gz NFKGLVSDRCSCEE-JOCHJYFZSA-N 2 2 372.557 3.627 50 0 FHAALP O=C1CC[C@@]2(CCC[N@@H+](CCCC3CCCC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082135142 526992502 /nfs/dbraw/zinc/99/25/02/526992502.db2.gz NFKGLVSDRCSCEE-JOCHJYFZSA-N 2 2 372.557 3.627 50 0 FHAALP O=C1CC[C@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082135141 526997907 /nfs/dbraw/zinc/99/79/07/526997907.db2.gz NFKGLVSDRCSCEE-QFIPXVFZSA-N 2 2 372.557 3.627 50 0 FHAALP O=C1CC[C@]2(CCC[N@@H+](CCCC3CCCC3)C2)CN1CCc1c[nH+]c[nH]1 ZINC000082135141 526997911 /nfs/dbraw/zinc/99/79/11/526997911.db2.gz NFKGLVSDRCSCEE-QFIPXVFZSA-N 2 2 372.557 3.627 50 0 FHAALP O=C1CC[C@]2(CCC[N@H+](CCCC3CCCC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082135141 526997914 /nfs/dbraw/zinc/99/79/14/526997914.db2.gz NFKGLVSDRCSCEE-QFIPXVFZSA-N 2 2 372.557 3.627 50 0 FHAALP O=C1CC[C@]2(CCC[N@@H+](CCCC3CCCC3)C2)CN1CCc1c[nH]c[nH+]1 ZINC000082135141 526997921 /nfs/dbraw/zinc/99/79/21/526997921.db2.gz NFKGLVSDRCSCEE-QFIPXVFZSA-N 2 2 372.557 3.627 50 0 FHAALP Cc1ccc(NC(=O)N2CCC[C@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095370588 570456301 /nfs/dbraw/zinc/45/63/01/570456301.db2.gz PSVLNRJXIYWFPT-SFHVURJKSA-N 2 2 369.513 3.555 50 0 FHAALP Cc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]ccn2CCC[NH+](C)C)C1 ZINC000095497540 570462230 /nfs/dbraw/zinc/46/22/30/570462230.db2.gz YGRRTUHBFZXIDA-GOSISDBHSA-N 2 2 369.513 3.555 50 0 FHAALP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095511437 570465851 /nfs/dbraw/zinc/46/58/51/570465851.db2.gz YASLDDFKRWNICI-NRFANRHFSA-N 3 2 352.526 3.536 50 0 FHAALP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095511437 570465856 /nfs/dbraw/zinc/46/58/56/570465856.db2.gz YASLDDFKRWNICI-NRFANRHFSA-N 3 2 352.526 3.536 50 0 FHAALP Cc1[nH+]c2cc(CNC(=O)CC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)ccc2n1C ZINC000095518956 570466791 /nfs/dbraw/zinc/46/67/91/570466791.db2.gz HULBQUPFKIZKRE-AZUAARDMSA-N 2 2 368.525 3.543 50 0 FHAALP Cc1[nH+]c2cc(CNC(=O)CC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc2n1C ZINC000095518956 570466793 /nfs/dbraw/zinc/46/67/93/570466793.db2.gz HULBQUPFKIZKRE-AZUAARDMSA-N 2 2 368.525 3.543 50 0 FHAALP Cc1[nH+]cc(C[NH2+]Cc2cccnc2Oc2ccc(C)c(F)c2F)n1C ZINC000011664106 570704650 /nfs/dbraw/zinc/70/46/50/570704650.db2.gz SPFYRGPJXKFLIA-UHFFFAOYSA-N 2 2 358.392 3.792 50 0 FHAALP COCc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)o1 ZINC000012456028 570747223 /nfs/dbraw/zinc/74/72/23/570747223.db2.gz CXNFKAWNCHDLCJ-GOSISDBHSA-N 2 2 374.500 3.952 50 0 FHAALP COCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)o1 ZINC000012456028 570747226 /nfs/dbraw/zinc/74/72/26/570747226.db2.gz CXNFKAWNCHDLCJ-GOSISDBHSA-N 2 2 374.500 3.952 50 0 FHAALP COCc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)o1 ZINC000012456028 570747228 /nfs/dbraw/zinc/74/72/28/570747228.db2.gz CXNFKAWNCHDLCJ-GOSISDBHSA-N 2 2 374.500 3.952 50 0 FHAALP COCc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)o1 ZINC000012456028 570747229 /nfs/dbraw/zinc/74/72/29/570747229.db2.gz CXNFKAWNCHDLCJ-GOSISDBHSA-N 2 2 374.500 3.952 50 0 FHAALP Cc1cc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc(C(C)C)[nH+]1 ZINC000032797352 570804252 /nfs/dbraw/zinc/80/42/52/570804252.db2.gz NPOZPCOHXNNOAA-UHFFFAOYSA-N 2 2 374.916 3.763 50 0 FHAALP c1[nH+]cn(C2CCCCC2)c1CN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000244882485 571118577 /nfs/dbraw/zinc/11/85/77/571118577.db2.gz XSSQTNHZCSJSSB-UHFFFAOYSA-N 2 2 364.537 3.673 50 0 FHAALP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000244882425 571118760 /nfs/dbraw/zinc/11/87/60/571118760.db2.gz XRMATJQYSZMNRT-HNNXBMFYSA-N 2 2 360.889 3.590 50 0 FHAALP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1Cl ZINC000244882425 571118763 /nfs/dbraw/zinc/11/87/63/571118763.db2.gz XRMATJQYSZMNRT-HNNXBMFYSA-N 2 2 360.889 3.590 50 0 FHAALP C[N@H+](Cc1cc2ccccc2s1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000252569149 571134673 /nfs/dbraw/zinc/13/46/73/571134673.db2.gz WCSNJMZHTGROFQ-GASCZTMLSA-N 2 2 367.522 3.664 50 0 FHAALP C[N@@H+](Cc1cc2ccccc2s1)Cc1nnc([C@H]2C[C@@H]([NH3+])C2)n1C1CC1 ZINC000252569149 571134675 /nfs/dbraw/zinc/13/46/75/571134675.db2.gz WCSNJMZHTGROFQ-GASCZTMLSA-N 2 2 367.522 3.664 50 0 FHAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]C1)CCO2 ZINC000067935020 571152254 /nfs/dbraw/zinc/15/22/54/571152254.db2.gz DHHAPQORICPUNE-KRWDZBQOSA-N 2 2 352.478 3.562 50 0 FHAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@H]1CCC[NH2+]C1)CCO2 ZINC000067935020 571152257 /nfs/dbraw/zinc/15/22/57/571152257.db2.gz DHHAPQORICPUNE-KRWDZBQOSA-N 2 2 352.478 3.562 50 0 FHAALP COc1ccc2cc([C@@H]3C[N@H+](CCCn4cc[nH+]c4C)CCO3)ccc2c1 ZINC000071551678 571162906 /nfs/dbraw/zinc/16/29/06/571162906.db2.gz PQAWWBOKDWPORO-QFIPXVFZSA-N 2 2 365.477 3.817 50 0 FHAALP COc1ccc2cc([C@@H]3C[N@@H+](CCCn4cc[nH+]c4C)CCO3)ccc2c1 ZINC000071551678 571162910 /nfs/dbraw/zinc/16/29/10/571162910.db2.gz PQAWWBOKDWPORO-QFIPXVFZSA-N 2 2 365.477 3.817 50 0 FHAALP CCc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 ZINC000071754475 571165222 /nfs/dbraw/zinc/16/52/22/571165222.db2.gz WVMDJNGUMROVRY-KRWDZBQOSA-N 2 2 357.523 3.762 50 0 FHAALP CCc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(=O)c2ccc(SC)cc2)C1 ZINC000071754475 571165226 /nfs/dbraw/zinc/16/52/26/571165226.db2.gz WVMDJNGUMROVRY-KRWDZBQOSA-N 2 2 357.523 3.762 50 0 FHAALP COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1C[NH+]1CCCC1 ZINC000072409123 571191443 /nfs/dbraw/zinc/19/14/43/571191443.db2.gz AEAFEKYJSQKDPZ-OAQYLSRUSA-N 3 2 359.558 3.597 50 0 FHAALP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+](C)C)cc1C[NH+]1CCCC1 ZINC000072409123 571191444 /nfs/dbraw/zinc/19/14/44/571191444.db2.gz AEAFEKYJSQKDPZ-OAQYLSRUSA-N 3 2 359.558 3.597 50 0 FHAALP Cc1c[nH+]ccc1NCCNC(=O)c1cccc(-c2[nH+]ccn2C(C)C)c1 ZINC000299771436 571195941 /nfs/dbraw/zinc/19/59/41/571195941.db2.gz WYPADHUZNBLYOF-UHFFFAOYSA-N 2 2 363.465 3.676 50 0 FHAALP C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2ccc3c[nH+]c(N)cc3c2)cc1 ZINC000534666875 571208363 /nfs/dbraw/zinc/20/83/63/571208363.db2.gz APVDXEDOIFERGV-OAQYLSRUSA-N 2 2 374.488 3.528 50 0 FHAALP C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2ccc3c[nH+]c(N)cc3c2)cc1 ZINC000534666875 571208365 /nfs/dbraw/zinc/20/83/65/571208365.db2.gz APVDXEDOIFERGV-OAQYLSRUSA-N 2 2 374.488 3.528 50 0 FHAALP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000091665312 571242112 /nfs/dbraw/zinc/24/21/12/571242112.db2.gz MEJPUJAJMSQYHF-HXUWFJFHSA-N 3 2 352.526 3.810 50 0 FHAALP CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000091665312 571242113 /nfs/dbraw/zinc/24/21/13/571242113.db2.gz MEJPUJAJMSQYHF-HXUWFJFHSA-N 3 2 352.526 3.810 50 0 FHAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000095964902 571333130 /nfs/dbraw/zinc/33/31/30/571333130.db2.gz JZPWWFKOFOUMQN-CVDCTZTESA-N 2 2 360.505 3.542 50 0 FHAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000095964902 571333131 /nfs/dbraw/zinc/33/31/31/571333131.db2.gz JZPWWFKOFOUMQN-CVDCTZTESA-N 2 2 360.505 3.542 50 0 FHAALP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000095986442 571333491 /nfs/dbraw/zinc/33/34/91/571333491.db2.gz NKLNROKCUHYQHU-RBBKRZOGSA-N 2 2 372.553 3.795 50 0 FHAALP Cc1cc(C)n([C@@H](C)C[NH2+]C2CCN(c3cc(C(C)C)[nH+]c(C)n3)CC2)n1 ZINC000096152900 939202367 /nfs/dbraw/zinc/20/23/67/939202367.db2.gz PTQHGOINNPRFJV-KRWDZBQOSA-N 2 2 370.545 3.541 50 0 FHAALP CC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2CCc2ccccc2)CC1 ZINC000257193319 942669855 /nfs/dbraw/zinc/66/98/55/942669855.db2.gz YAMKMAOAHWLRBM-NRFANRHFSA-N 2 2 352.526 3.605 50 0 FHAALP CC[NH+]1CCC([C@H]2c3nccn3CCC[N@@H+]2CCc2ccccc2)CC1 ZINC000257193319 942669861 /nfs/dbraw/zinc/66/98/61/942669861.db2.gz YAMKMAOAHWLRBM-NRFANRHFSA-N 2 2 352.526 3.605 50 0 FHAALP COc1ccc(Nc2[nH+]cnc3c2c(C)c(C)n3CCC[NH+](C)C)cc1 ZINC000005346971 204205134 /nfs/dbraw/zinc/20/51/34/204205134.db2.gz LJYIVWGXCMEYPP-UHFFFAOYSA-N 2 2 353.470 3.752 50 0 FHAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1cccc(C)c1 ZINC000010314083 204394136 /nfs/dbraw/zinc/39/41/36/204394136.db2.gz ZYAHRXAWYCDNDY-UHFFFAOYSA-N 2 2 365.477 3.959 50 0 FHAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1cccc(C)c1 ZINC000040719395 205077231 /nfs/dbraw/zinc/07/72/31/205077231.db2.gz MSBHDCFFPFDCTG-UHFFFAOYSA-N 2 2 365.477 3.959 50 0 FHAALP CC(C)c1nccc(C[N@H+](CCc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000063868104 205296640 /nfs/dbraw/zinc/29/66/40/205296640.db2.gz DHOBPADCIGCMRT-UHFFFAOYSA-N 2 2 352.526 3.739 50 0 FHAALP CC(C)c1nccc(C[N@@H+](CCc2ccccc2)C2CC[NH+](C)CC2)n1 ZINC000063868104 205296646 /nfs/dbraw/zinc/29/66/46/205296646.db2.gz DHOBPADCIGCMRT-UHFFFAOYSA-N 2 2 352.526 3.739 50 0 FHAALP CC(C)C(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000065435121 205350120 /nfs/dbraw/zinc/35/01/20/205350120.db2.gz BPCVDKPWQNGQMU-QFIPXVFZSA-N 2 2 371.569 3.840 50 0 FHAALP C[N@H+](Cc1cnc(-c2ccco2)nc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216263544 206357510 /nfs/dbraw/zinc/35/75/10/206357510.db2.gz PNIGHZKNUHDIDR-UHFFFAOYSA-N 2 2 362.477 3.964 50 0 FHAALP C[N@@H+](Cc1cnc(-c2ccco2)nc1)Cc1ccccc1C[NH+]1CCCC1 ZINC000216263544 206357514 /nfs/dbraw/zinc/35/75/14/206357514.db2.gz PNIGHZKNUHDIDR-UHFFFAOYSA-N 2 2 362.477 3.964 50 0 FHAALP Cc1cc(C)[nH+]c(N2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095508315 132212911 /nfs/dbraw/zinc/21/29/11/132212911.db2.gz QIEUYDGCCXLRSW-INIZCTEOSA-N 2 2 353.495 3.784 50 0 FHAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000091255041 521300904 /nfs/dbraw/zinc/30/09/04/521300904.db2.gz POJJEZQSIKYCMO-PZJWPPBQSA-N 2 2 352.526 3.849 50 0 FHAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)c[nH+]1 ZINC000091255041 521300913 /nfs/dbraw/zinc/30/09/13/521300913.db2.gz POJJEZQSIKYCMO-PZJWPPBQSA-N 2 2 352.526 3.849 50 0 FHAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccc2)C3)[nH+]1 ZINC000091255041 521300927 /nfs/dbraw/zinc/30/09/27/521300927.db2.gz POJJEZQSIKYCMO-PZJWPPBQSA-N 2 2 352.526 3.849 50 0 FHAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)[nH+]1 ZINC000091255041 521300938 /nfs/dbraw/zinc/30/09/38/521300938.db2.gz POJJEZQSIKYCMO-PZJWPPBQSA-N 2 2 352.526 3.849 50 0 FHAALP Cc1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540117 524662898 /nfs/dbraw/zinc/66/28/98/524662898.db2.gz XOFVQPHGUHVHDA-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540117 524662905 /nfs/dbraw/zinc/66/29/05/524662905.db2.gz XOFVQPHGUHVHDA-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540117 524662912 /nfs/dbraw/zinc/66/29/12/524662912.db2.gz XOFVQPHGUHVHDA-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540117 524662915 /nfs/dbraw/zinc/66/29/15/524662915.db2.gz XOFVQPHGUHVHDA-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP COc1ccnc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082108995 524828041 /nfs/dbraw/zinc/82/80/41/524828041.db2.gz CTTAXGPQFJKIPP-IBGZPJMESA-N 2 2 362.477 3.715 50 0 FHAALP COc1ccnc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082108995 524828052 /nfs/dbraw/zinc/82/80/52/524828052.db2.gz CTTAXGPQFJKIPP-IBGZPJMESA-N 2 2 362.477 3.715 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000095356158 570453529 /nfs/dbraw/zinc/45/35/29/570453529.db2.gz IWBUKFXSGYODNM-IBGZPJMESA-N 2 2 360.546 3.511 50 0 FHAALP Cc1ccc(CNC(=O)CC[N@H+]2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095365966 570455171 /nfs/dbraw/zinc/45/51/71/570455171.db2.gz ZHGMHTKCKBHBML-HXUWFJFHSA-N 2 2 368.525 3.658 50 0 FHAALP Cc1ccc(CNC(=O)CC[N@@H+]2CCC[C@@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095365966 570455174 /nfs/dbraw/zinc/45/51/74/570455174.db2.gz ZHGMHTKCKBHBML-HXUWFJFHSA-N 2 2 368.525 3.658 50 0 FHAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc(OC)cc1 ZINC000000809660 570457905 /nfs/dbraw/zinc/45/79/05/570457905.db2.gz DEMDFVSPNYKHJF-UHFFFAOYSA-N 2 2 352.482 3.999 50 0 FHAALP Cc1[nH+]c[nH]c1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095389128 570460572 /nfs/dbraw/zinc/46/05/72/570460572.db2.gz SUMWUYJVFDSNJH-HXUWFJFHSA-N 3 2 364.537 3.952 50 0 FHAALP Cc1[nH+]c[nH]c1C[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095389128 570460574 /nfs/dbraw/zinc/46/05/74/570460574.db2.gz SUMWUYJVFDSNJH-HXUWFJFHSA-N 3 2 364.537 3.952 50 0 FHAALP CSc1ncc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095524562 570468278 /nfs/dbraw/zinc/46/82/78/570468278.db2.gz HZXBAZUEXLDPRG-LJQANCHMSA-N 2 2 368.550 3.652 50 0 FHAALP CSc1ncc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095524562 570468283 /nfs/dbraw/zinc/46/82/83/570468283.db2.gz HZXBAZUEXLDPRG-LJQANCHMSA-N 2 2 368.550 3.652 50 0 FHAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCCC4)n3C)CC2)s1 ZINC000096139804 570476809 /nfs/dbraw/zinc/47/68/09/570476809.db2.gz OQCADXQSKIBHMU-UHFFFAOYSA-N 2 2 373.570 3.551 50 0 FHAALP CCCN(Cc1[nH+]ccn1C)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000096153050 570477570 /nfs/dbraw/zinc/47/75/70/570477570.db2.gz KTRYSYQRBWXUDZ-UHFFFAOYSA-N 2 2 369.513 3.850 50 0 FHAALP OC1(Cn2cc[nH+]c2)CC[NH+](Cc2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000097729576 570493525 /nfs/dbraw/zinc/49/35/25/570493525.db2.gz VGSGNMOFMAMTBM-UHFFFAOYSA-N 2 2 371.868 3.824 50 0 FHAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000030661832 571048737 /nfs/dbraw/zinc/04/87/37/571048737.db2.gz FPVHQCPNMHXBHP-UHFFFAOYSA-N 2 2 363.440 3.608 50 0 FHAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252500139 571133503 /nfs/dbraw/zinc/13/35/03/571133503.db2.gz SNOVPDRTNXQMEM-KRWDZBQOSA-N 2 2 351.454 3.894 50 0 FHAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252500139 571133505 /nfs/dbraw/zinc/13/35/05/571133505.db2.gz SNOVPDRTNXQMEM-KRWDZBQOSA-N 2 2 351.454 3.894 50 0 FHAALP C[NH+](C)Cc1cc2n(n1)CC[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000072152004 571174478 /nfs/dbraw/zinc/17/44/78/571174478.db2.gz CZDJWAKAGNWJQJ-UHFFFAOYSA-N 2 2 352.507 3.689 50 0 FHAALP C[NH+](C)Cc1cc2n(n1)CC[N@@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000072152004 571174481 /nfs/dbraw/zinc/17/44/81/571174481.db2.gz CZDJWAKAGNWJQJ-UHFFFAOYSA-N 2 2 352.507 3.689 50 0 FHAALP c1ccc2c(c1)CC[N@@H+](C1CC[NH+](Cc3cccc4nccnc34)CC1)C2 ZINC000072150973 571174515 /nfs/dbraw/zinc/17/45/15/571174515.db2.gz SLRNLYBVCZPUEL-UHFFFAOYSA-N 2 2 358.489 3.653 50 0 FHAALP c1ccc2c(c1)CC[N@H+](C1CC[NH+](Cc3cccc4nccnc34)CC1)C2 ZINC000072150973 571174517 /nfs/dbraw/zinc/17/45/17/571174517.db2.gz SLRNLYBVCZPUEL-UHFFFAOYSA-N 2 2 358.489 3.653 50 0 FHAALP Cc1[nH+]cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1C ZINC000072162385 571176002 /nfs/dbraw/zinc/17/60/02/571176002.db2.gz PMMPXAKXIWSHGX-UHFFFAOYSA-N 2 2 360.505 3.636 50 0 FHAALP Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000075567655 571200859 /nfs/dbraw/zinc/20/08/59/571200859.db2.gz YNMXMWVQABCNAW-UHFFFAOYSA-N 2 2 374.532 3.698 50 0 FHAALP Cc1ccc2c(c1)c1c(n2CCc2ccncc2)CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000075567655 571200861 /nfs/dbraw/zinc/20/08/61/571200861.db2.gz YNMXMWVQABCNAW-UHFFFAOYSA-N 2 2 374.532 3.698 50 0 FHAALP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)o2)cc1 ZINC000077300538 571206616 /nfs/dbraw/zinc/20/66/16/571206616.db2.gz OYXGPFUCYWTCOS-JOCHJYFZSA-N 2 2 354.494 3.678 50 0 FHAALP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@](O)(C[NH+]4CCCCC4)C3)o2)cc1 ZINC000077300538 571206619 /nfs/dbraw/zinc/20/66/19/571206619.db2.gz OYXGPFUCYWTCOS-JOCHJYFZSA-N 2 2 354.494 3.678 50 0 FHAALP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077425215 571211228 /nfs/dbraw/zinc/21/12/28/571211228.db2.gz MGPYKAKRFDDYGI-HXUWFJFHSA-N 2 2 352.457 3.930 50 0 FHAALP [NH3+]CCc1cccc(C[N@H+]2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077425215 571211230 /nfs/dbraw/zinc/21/12/30/571211230.db2.gz MGPYKAKRFDDYGI-HXUWFJFHSA-N 2 2 352.457 3.930 50 0 FHAALP Cc1ccc(C[NH+]2CCC3(CC2)c2[nH]c[nH+]c2CCN3CC(C)C)s1 ZINC000091574356 571240793 /nfs/dbraw/zinc/24/07/93/571240793.db2.gz OCVQBGNSXLAEIR-UHFFFAOYSA-N 2 2 358.555 3.785 50 0 FHAALP CC(C)n1cc[nH+]c1C1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000091617101 571241298 /nfs/dbraw/zinc/24/12/98/571241298.db2.gz KFDHYQFKPWTGGJ-UHFFFAOYSA-N 2 2 364.493 3.696 50 0 FHAALP Cc1cn2c(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c(C)nc2s1 ZINC000078778111 571326195 /nfs/dbraw/zinc/32/61/95/571326195.db2.gz GIAWCHHYMBYSCN-UHFFFAOYSA-N 2 2 354.523 3.767 50 0 FHAALP O[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[N@@H+]1CCc2ccccc2C1 ZINC000096747831 209156955 /nfs/dbraw/zinc/15/69/55/209156955.db2.gz FVFGFWREHFZIBY-QGZVFWFLSA-N 2 2 365.304 3.502 50 0 FHAALP O[C@H](C[NH2+]Cc1cccc(Cl)c1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000096747831 209156957 /nfs/dbraw/zinc/15/69/57/209156957.db2.gz FVFGFWREHFZIBY-QGZVFWFLSA-N 2 2 365.304 3.502 50 0 FHAALP COCc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)o1 ZINC000012456024 207381534 /nfs/dbraw/zinc/38/15/34/207381534.db2.gz CXNFKAWNCHDLCJ-SFHVURJKSA-N 2 2 374.500 3.952 50 0 FHAALP COCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccccc3F)C2)o1 ZINC000012456024 207381540 /nfs/dbraw/zinc/38/15/40/207381540.db2.gz CXNFKAWNCHDLCJ-SFHVURJKSA-N 2 2 374.500 3.952 50 0 FHAALP COCc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)o1 ZINC000012456024 207381545 /nfs/dbraw/zinc/38/15/45/207381545.db2.gz CXNFKAWNCHDLCJ-SFHVURJKSA-N 2 2 374.500 3.952 50 0 FHAALP COCc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)o1 ZINC000012456024 207381550 /nfs/dbraw/zinc/38/15/50/207381550.db2.gz CXNFKAWNCHDLCJ-SFHVURJKSA-N 2 2 374.500 3.952 50 0 FHAALP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000095986443 209094149 /nfs/dbraw/zinc/09/41/49/209094149.db2.gz NKLNROKCUHYQHU-UNMCSNQZSA-N 2 2 372.553 3.795 50 0 FHAALP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000095361098 209027187 /nfs/dbraw/zinc/02/71/87/209027187.db2.gz LTTVHFSGVYFBHP-LEWJYISDSA-N 2 2 360.505 3.739 50 0 FHAALP Cc1[nH+]c2ccccn2c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095361098 209027191 /nfs/dbraw/zinc/02/71/91/209027191.db2.gz LTTVHFSGVYFBHP-LEWJYISDSA-N 2 2 360.505 3.739 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC000095375924 209036905 /nfs/dbraw/zinc/03/69/05/209036905.db2.gz BDUUHZIDNZONIN-UHFFFAOYSA-N 2 2 360.546 3.511 50 0 FHAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000095375909 209036934 /nfs/dbraw/zinc/03/69/34/209036934.db2.gz MCYMVURUFVGVOZ-SFHVURJKSA-N 2 2 360.546 3.873 50 0 FHAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000095375909 209036936 /nfs/dbraw/zinc/03/69/36/209036936.db2.gz MCYMVURUFVGVOZ-SFHVURJKSA-N 2 2 360.546 3.873 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)C2CCCCCC2)CC1 ZINC000095390981 209047933 /nfs/dbraw/zinc/04/79/33/209047933.db2.gz SXPVFGUUQFCIDE-UHFFFAOYSA-N 2 2 360.546 3.511 50 0 FHAALP CN(C)c1cccc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000095450135 209051555 /nfs/dbraw/zinc/05/15/55/209051555.db2.gz BWVBSCNTXYKOPI-UHFFFAOYSA-N 2 2 373.928 3.528 50 0 FHAALP Fc1ccc(OC[C@@H]2CCCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)C2)cc1 ZINC000077322679 132181319 /nfs/dbraw/zinc/18/13/19/132181319.db2.gz YNIDZPJGKNIRQJ-GOSISDBHSA-N 2 2 366.440 3.761 50 0 FHAALP CCn1cc[nH+]c1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000091650229 523525209 /nfs/dbraw/zinc/52/52/09/523525209.db2.gz FYZYRVXVQMDBKJ-UHFFFAOYSA-N 2 2 366.509 3.519 50 0 FHAALP COc1ccccc1-c1ncc(C[NH+]2CCC(c3[nH+]ccn3C)CC2)s1 ZINC000091644335 524282043 /nfs/dbraw/zinc/28/20/43/524282043.db2.gz XYXZUZZBZAPXHQ-UHFFFAOYSA-N 2 2 368.506 3.932 50 0 FHAALP CCCOC[C@H]1CC[N@@H+](C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000095498670 535235369 /nfs/dbraw/zinc/23/53/69/535235369.db2.gz XPPOSLCRDWNVQA-SFHVURJKSA-N 2 2 360.546 3.626 50 0 FHAALP CCCOC[C@H]1CC[N@H+](C2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)C1 ZINC000095498670 535235374 /nfs/dbraw/zinc/23/53/74/535235374.db2.gz XPPOSLCRDWNVQA-SFHVURJKSA-N 2 2 360.546 3.626 50 0 FHAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H](c2cccc(C)n2)C2CC2)CC1 ZINC000096140969 536019548 /nfs/dbraw/zinc/01/95/48/536019548.db2.gz XSYZFSQWFQTTSW-OAQYLSRUSA-N 2 2 365.525 3.761 50 0 FHAALP CC1CCC([NH+]2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)CC1 ZINC000004710752 570602689 /nfs/dbraw/zinc/60/26/89/570602689.db2.gz ALBSDAAPZPVGJZ-UHFFFAOYSA-N 2 2 359.533 3.991 50 0 FHAALP Cc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCN(C)CC2)cc1 ZINC000019363437 570887538 /nfs/dbraw/zinc/88/75/38/570887538.db2.gz KEEMCXZDOIJYBE-UHFFFAOYSA-N 2 2 373.504 3.512 50 0 FHAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000022930499 570952987 /nfs/dbraw/zinc/95/29/87/570952987.db2.gz VUWUVGLXVTUBDU-FQEVSTJZSA-N 2 2 367.493 3.521 50 0 FHAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000022930499 570952999 /nfs/dbraw/zinc/95/29/99/570952999.db2.gz VUWUVGLXVTUBDU-FQEVSTJZSA-N 2 2 367.493 3.521 50 0 FHAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252500140 571133423 /nfs/dbraw/zinc/13/34/23/571133423.db2.gz SNOVPDRTNXQMEM-QGZVFWFLSA-N 2 2 351.454 3.894 50 0 FHAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000252500140 571133424 /nfs/dbraw/zinc/13/34/24/571133424.db2.gz SNOVPDRTNXQMEM-QGZVFWFLSA-N 2 2 351.454 3.894 50 0 FHAALP Cc1[nH]c2ccc(NC(=O)N3CCC[N@@H+](C4CCCCC4)CC3)cc2[nH+]1 ZINC000299799390 571202941 /nfs/dbraw/zinc/20/29/41/571202941.db2.gz GFHBCTXBEAWLHH-UHFFFAOYSA-N 2 2 355.486 3.744 50 0 FHAALP Cc1[nH]c2ccc(NC(=O)N3CCC[N@H+](C4CCCCC4)CC3)cc2[nH+]1 ZINC000299799390 571202945 /nfs/dbraw/zinc/20/29/45/571202945.db2.gz GFHBCTXBEAWLHH-UHFFFAOYSA-N 2 2 355.486 3.744 50 0 FHAALP Cc1cc(N2CCC[N@H+](Cc3cccnc3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000077440095 571211777 /nfs/dbraw/zinc/21/17/77/571211777.db2.gz UAQJDDKPBTYFFJ-UHFFFAOYSA-N 2 2 359.477 3.559 50 0 FHAALP Cc1cc(N2CCC[N@@H+](Cc3cccnc3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000077440095 571211778 /nfs/dbraw/zinc/21/17/78/571211778.db2.gz UAQJDDKPBTYFFJ-UHFFFAOYSA-N 2 2 359.477 3.559 50 0 FHAALP Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000008717503 571236346 /nfs/dbraw/zinc/23/63/46/571236346.db2.gz WJZXOFIMXHEZQI-UHFFFAOYSA-N 2 2 371.525 3.810 50 0 FHAALP Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000008717503 571236348 /nfs/dbraw/zinc/23/63/48/571236348.db2.gz WJZXOFIMXHEZQI-UHFFFAOYSA-N 2 2 371.525 3.810 50 0 FHAALP CC(C)c1nnc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)o1 ZINC000091254524 571238577 /nfs/dbraw/zinc/23/85/77/571238577.db2.gz WGQBMMZDKBNKAR-LJQANCHMSA-N 2 2 368.525 3.895 50 0 FHAALP CC(C)c1nnc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)o1 ZINC000091254524 571238579 /nfs/dbraw/zinc/23/85/79/571238579.db2.gz WGQBMMZDKBNKAR-LJQANCHMSA-N 2 2 368.525 3.895 50 0 FHAALP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3noc(C4CC4)n3)CC2)C1 ZINC000091518810 571240335 /nfs/dbraw/zinc/24/03/35/571240335.db2.gz VNFDJYFTINRQPV-IBGZPJMESA-N 2 2 366.509 3.649 50 0 FHAALP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3noc(C4CC4)n3)CC2)C1 ZINC000091518810 571240337 /nfs/dbraw/zinc/24/03/37/571240337.db2.gz VNFDJYFTINRQPV-IBGZPJMESA-N 2 2 366.509 3.649 50 0 FHAALP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC000091657119 571242028 /nfs/dbraw/zinc/24/20/28/571242028.db2.gz MYZPCXNOHCSCKP-LJQANCHMSA-N 2 2 366.509 3.649 50 0 FHAALP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC000091657119 571242029 /nfs/dbraw/zinc/24/20/29/571242029.db2.gz MYZPCXNOHCSCKP-LJQANCHMSA-N 2 2 366.509 3.649 50 0 FHAALP Clc1ccc(C[NH+]2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161779232 571337607 /nfs/dbraw/zinc/33/76/07/571337607.db2.gz LVHSHQHBIPFWOU-UHFFFAOYSA-N 2 2 364.917 3.580 50 0 FHAALP COc1ccc(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c(OC)c1 ZINC000004351152 207015196 /nfs/dbraw/zinc/01/51/96/207015196.db2.gz QRTAUMNSZJVNGY-UHFFFAOYSA-N 2 2 354.494 3.800 50 0 FHAALP COc1ccc(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c(OC)c1 ZINC000004351152 207015200 /nfs/dbraw/zinc/01/52/00/207015200.db2.gz QRTAUMNSZJVNGY-UHFFFAOYSA-N 2 2 354.494 3.800 50 0 FHAALP CC[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000012582977 207398266 /nfs/dbraw/zinc/39/82/66/207398266.db2.gz ROZHUEILHBWQBM-IBGZPJMESA-N 2 2 360.452 3.602 50 0 FHAALP CC(C)Oc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000040719419 208263291 /nfs/dbraw/zinc/26/32/91/208263291.db2.gz ZTRPXESTRVBLLL-UHFFFAOYSA-N 2 2 352.276 3.613 50 0 FHAALP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc2[nH+]ccn2c1 ZINC000091876739 209002100 /nfs/dbraw/zinc/00/21/00/209002100.db2.gz FNPYBDCYRLENAM-SFHVURJKSA-N 2 2 368.868 3.555 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000095356026 209026824 /nfs/dbraw/zinc/02/68/24/209026824.db2.gz QOGAARMMCWYBOJ-UHFFFAOYSA-N 2 2 374.916 3.508 50 0 FHAALP Cc1noc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095500286 209062134 /nfs/dbraw/zinc/06/21/34/209062134.db2.gz MFJWWAHZJBDFBL-IBGZPJMESA-N 2 2 366.509 3.612 50 0 FHAALP Cc1noc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)n1 ZINC000095500286 209062138 /nfs/dbraw/zinc/06/21/38/209062138.db2.gz MFJWWAHZJBDFBL-IBGZPJMESA-N 2 2 366.509 3.612 50 0 FHAALP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000092078083 132206108 /nfs/dbraw/zinc/20/61/08/132206108.db2.gz BMGIBFMPTBNGRV-FQEVSTJZSA-N 2 2 350.510 3.881 50 0 FHAALP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000092078083 132206110 /nfs/dbraw/zinc/20/61/10/132206110.db2.gz BMGIBFMPTBNGRV-FQEVSTJZSA-N 2 2 350.510 3.881 50 0 FHAALP Cc1cccnc1N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)s2)CC1 ZINC000214998955 132269882 /nfs/dbraw/zinc/26/98/82/132269882.db2.gz IUFKBIBTBASTQG-UHFFFAOYSA-N 2 2 370.566 3.760 50 0 FHAALP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Br ZINC000020926101 520365722 /nfs/dbraw/zinc/36/57/22/520365722.db2.gz FYPHJRNUMNHYLI-UHFFFAOYSA-N 2 2 352.276 3.614 50 0 FHAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]CCCc2ccc(F)cc2)CC1 ZINC000095519949 536020261 /nfs/dbraw/zinc/02/02/61/536020261.db2.gz YVOKYTRHTAMMLI-UHFFFAOYSA-N 2 2 356.489 3.678 50 0 FHAALP C[NH+](C)Cc1cccc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1 ZINC000072454807 536028329 /nfs/dbraw/zinc/02/83/29/536028329.db2.gz REVZOMDTSJCNGJ-UHFFFAOYSA-N 3 2 364.537 3.778 50 0 FHAALP C[NH+](C)Cc1cccc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1 ZINC000072454807 536028335 /nfs/dbraw/zinc/02/83/35/536028335.db2.gz REVZOMDTSJCNGJ-UHFFFAOYSA-N 3 2 364.537 3.778 50 0 FHAALP Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2OCCn2cc[nH+]c2)no1 ZINC000215288616 568062086 /nfs/dbraw/zinc/06/20/86/568062086.db2.gz WOAYGIYQMJVHMU-IBGZPJMESA-N 2 2 352.438 3.596 50 0 FHAALP Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2OCCn2cc[nH+]c2)no1 ZINC000215288616 568062087 /nfs/dbraw/zinc/06/20/87/568062087.db2.gz WOAYGIYQMJVHMU-IBGZPJMESA-N 2 2 352.438 3.596 50 0 FHAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc(OC)c1 ZINC000000809662 568270811 /nfs/dbraw/zinc/27/08/11/568270811.db2.gz HDPUULRCBGLLAI-UHFFFAOYSA-N 2 2 352.482 3.999 50 0 FHAALP CC(C)CC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000019743188 570901741 /nfs/dbraw/zinc/90/17/41/570901741.db2.gz UKTSEHPUVGCVRC-MRXNPFEDSA-N 2 2 360.527 3.558 50 0 FHAALP CC(C)CC[N@H+]1CCC[C@@H]1c1ccc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000019743188 570901744 /nfs/dbraw/zinc/90/17/44/570901744.db2.gz UKTSEHPUVGCVRC-MRXNPFEDSA-N 2 2 360.527 3.558 50 0 FHAALP CCCCc1[nH]c(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)c[nH+]1 ZINC000022851472 570951281 /nfs/dbraw/zinc/95/12/81/570951281.db2.gz CXDMHSQWIWGAJY-NRFANRHFSA-N 2 2 354.542 3.891 50 0 FHAALP CCCCc1[nH]c(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)c[nH+]1 ZINC000022851472 570951285 /nfs/dbraw/zinc/95/12/85/570951285.db2.gz CXDMHSQWIWGAJY-NRFANRHFSA-N 2 2 354.542 3.891 50 0 FHAALP CCCCc1[nH]cc(CN2CCC[C@H]([N@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000022851472 570951290 /nfs/dbraw/zinc/95/12/90/570951290.db2.gz CXDMHSQWIWGAJY-NRFANRHFSA-N 2 2 354.542 3.891 50 0 FHAALP CCCCc1[nH]cc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000022851472 570951293 /nfs/dbraw/zinc/95/12/93/570951293.db2.gz CXDMHSQWIWGAJY-NRFANRHFSA-N 2 2 354.542 3.891 50 0 FHAALP COc1ccc(OC)c(C[NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)c1 ZINC000054992001 571115285 /nfs/dbraw/zinc/11/52/85/571115285.db2.gz UBPOCWQFOXLSCL-UHFFFAOYSA-N 2 2 354.494 3.800 50 0 FHAALP COc1ccc(OC)c(C[NH+]2CCC([N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000054992001 571115286 /nfs/dbraw/zinc/11/52/86/571115286.db2.gz UBPOCWQFOXLSCL-UHFFFAOYSA-N 2 2 354.494 3.800 50 0 FHAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099270 571116098 /nfs/dbraw/zinc/11/60/98/571116098.db2.gz XHDUPSYTERWVQT-OAQYLSRUSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099270 571116100 /nfs/dbraw/zinc/11/61/00/571116100.db2.gz XHDUPSYTERWVQT-OAQYLSRUSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099270 571116103 /nfs/dbraw/zinc/11/61/03/571116103.db2.gz XHDUPSYTERWVQT-OAQYLSRUSA-N 2 2 367.537 3.785 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cccc(C)n3)C2)cc1 ZINC000055099270 571116104 /nfs/dbraw/zinc/11/61/04/571116104.db2.gz XHDUPSYTERWVQT-OAQYLSRUSA-N 2 2 367.537 3.785 50 0 FHAALP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000055568935 571121085 /nfs/dbraw/zinc/12/10/85/571121085.db2.gz FKDYDQQBDHCFRC-FQEVSTJZSA-N 2 2 361.424 3.943 50 0 FHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000252490770 571133053 /nfs/dbraw/zinc/13/30/53/571133053.db2.gz LAOROMNLQZNXCN-CYBMUJFWSA-N 2 2 364.852 3.514 50 0 FHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000252490770 571133055 /nfs/dbraw/zinc/13/30/55/571133055.db2.gz LAOROMNLQZNXCN-CYBMUJFWSA-N 2 2 364.852 3.514 50 0 FHAALP CC(C)C(=O)N1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCCCC2)CC1 ZINC000065435124 571143883 /nfs/dbraw/zinc/14/38/83/571143883.db2.gz BPCVDKPWQNGQMU-JOCHJYFZSA-N 2 2 371.569 3.840 50 0 FHAALP c1cnn(CCc2c(-c3ccccc3)[nH+]cn2CCCC[NH+]2CCCC2)c1 ZINC000065489318 571144175 /nfs/dbraw/zinc/14/41/75/571144175.db2.gz MIWDELHYRUPMDN-UHFFFAOYSA-N 2 2 363.509 3.865 50 0 FHAALP c1cc(CN2CCc3[nH+]c[nH]c3[C@H]2c2ccsc2)n(-c2cc[nH+]cc2)c1 ZINC000067755344 571149322 /nfs/dbraw/zinc/14/93/22/571149322.db2.gz ARWUCUUKHHHCRE-HXUWFJFHSA-N 2 2 361.474 3.805 50 0 FHAALP COc1cccc(OC2C[NH+](Cc3cc(C[NH+]4CCCC4)cs3)C2)c1 ZINC000072156886 571175085 /nfs/dbraw/zinc/17/50/85/571175085.db2.gz WZTOZOWKLAIPIX-UHFFFAOYSA-N 2 2 358.507 3.616 50 0 FHAALP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000072170550 571177460 /nfs/dbraw/zinc/17/74/60/571177460.db2.gz RMBDQUKKIGJAAQ-AWEZNQCLSA-N 2 2 355.511 3.540 50 0 FHAALP CN(C)c1ncc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000072170550 571177462 /nfs/dbraw/zinc/17/74/62/571177462.db2.gz RMBDQUKKIGJAAQ-AWEZNQCLSA-N 2 2 355.511 3.540 50 0 FHAALP Cc1cccn2cc(CNC(=O)c3ccc([C@H](C)[NH+]4CCCCC4)o3)[nH+]c12 ZINC000299757849 571192613 /nfs/dbraw/zinc/19/26/13/571192613.db2.gz KNWYMXJHWYCMLY-INIZCTEOSA-N 2 2 366.465 3.713 50 0 FHAALP CCc1[nH+]c(C)ccc1OCC(=O)N[C@H]1CC[C@H]1[NH2+]C1CCCCCCC1 ZINC000072435476 571196352 /nfs/dbraw/zinc/19/63/52/571196352.db2.gz MVDPSRKFRXLPPG-UXHICEINSA-N 2 2 373.541 3.681 50 0 FHAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000077419700 571210744 /nfs/dbraw/zinc/21/07/44/571210744.db2.gz HNESFBNWKXGQHM-NRFANRHFSA-N 2 2 363.509 3.652 50 0 FHAALP Cn1cc[nH+]c1CC[C@@H]1CCCC[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000077419700 571210745 /nfs/dbraw/zinc/21/07/45/571210745.db2.gz HNESFBNWKXGQHM-NRFANRHFSA-N 2 2 363.509 3.652 50 0 FHAALP C[NH+](C)Cc1nnc(C2CC[NH+](C3CCCCCCC3)CC2)n1C1CC1 ZINC000082092977 571227919 /nfs/dbraw/zinc/22/79/19/571227919.db2.gz RSLUJQXRTAITGN-UHFFFAOYSA-N 2 2 359.562 3.967 50 0 FHAALP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N(C)C1CC[NH+](C)CC1 ZINC000004749814 571230829 /nfs/dbraw/zinc/23/08/29/571230829.db2.gz YRPNZNYMTAVATQ-UHFFFAOYSA-N 2 2 355.482 3.559 50 0 FHAALP CCCc1nc(N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000091625477 571241545 /nfs/dbraw/zinc/24/15/45/571241545.db2.gz JIJPWWWOBNMTDA-WOJBJXKFSA-N 2 2 350.510 3.838 50 0 FHAALP CCCc1nc(N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)cc(C)[nH+]1 ZINC000091625477 571241546 /nfs/dbraw/zinc/24/15/46/571241546.db2.gz JIJPWWWOBNMTDA-WOJBJXKFSA-N 2 2 350.510 3.838 50 0 FHAALP O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023506521 940489899 /nfs/dbraw/zinc/48/98/99/940489899.db2.gz SWFVJFZEARBBFO-LJQANCHMSA-N 2 2 366.509 3.789 50 0 FHAALP O=C(N[C@@H]1CCC[N@H+](C2CCCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023506521 940489900 /nfs/dbraw/zinc/48/99/00/940489900.db2.gz SWFVJFZEARBBFO-LJQANCHMSA-N 2 2 366.509 3.789 50 0 FHAALP O=C(N[C@@H](CCn1cc[nH+]c1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097601076 209188857 /nfs/dbraw/zinc/18/88/57/209188857.db2.gz FQHCCYNHQSHJMZ-NRFANRHFSA-N 2 2 371.444 3.630 50 0 FHAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(NC(=O)C3CCCCC3)ccc2n1C ZINC000006665564 207153412 /nfs/dbraw/zinc/15/34/12/207153412.db2.gz HFQKLCKGBOFUQD-UHFFFAOYSA-N 2 2 365.481 3.840 50 0 FHAALP Clc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4ncc[nH]4)CC3)C2)cc1 ZINC000011819517 207322852 /nfs/dbraw/zinc/32/28/52/207322852.db2.gz QJHLXDIDUMWVGM-GOSISDBHSA-N 2 2 358.917 3.797 50 0 FHAALP Clc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](Cc4ncc[nH]4)CC3)C2)cc1 ZINC000011819517 207322855 /nfs/dbraw/zinc/32/28/55/207322855.db2.gz QJHLXDIDUMWVGM-GOSISDBHSA-N 2 2 358.917 3.797 50 0 FHAALP Cc1nc[nH]c1C[N@H+](C)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011936765 207330169 /nfs/dbraw/zinc/33/01/69/207330169.db2.gz DKHCPVUGZSMKND-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1nc[nH]c1C[N@@H+](C)C[C@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011936765 207330175 /nfs/dbraw/zinc/33/01/75/207330175.db2.gz DKHCPVUGZSMKND-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1nc[nH]c1C[NH+](C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011936765 207330179 /nfs/dbraw/zinc/33/01/79/207330179.db2.gz DKHCPVUGZSMKND-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1nc[nH]c1C[NH+](C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011936765 207330183 /nfs/dbraw/zinc/33/01/83/207330183.db2.gz DKHCPVUGZSMKND-GOSISDBHSA-N 2 2 360.933 3.758 50 0 FHAALP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000032927280 208058081 /nfs/dbraw/zinc/05/80/81/208058081.db2.gz AEDCGPXZRJSGOX-KRWDZBQOSA-N 2 2 368.525 3.572 50 0 FHAALP CC[NH+](CC)Cc1ccc(C(=O)Nc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000048236424 208391282 /nfs/dbraw/zinc/39/12/82/208391282.db2.gz DEJWUJKCFVGTMQ-UHFFFAOYSA-N 2 2 352.438 3.619 50 0 FHAALP C[N@@H+]1CCCCC[C@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095383254 209042745 /nfs/dbraw/zinc/04/27/45/209042745.db2.gz CGNOUZJJJZKXHW-UHYCVJNDSA-N 2 2 368.525 3.827 50 0 FHAALP C[N@H+]1CCCCC[C@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095383254 209042750 /nfs/dbraw/zinc/04/27/50/209042750.db2.gz CGNOUZJJJZKXHW-UHYCVJNDSA-N 2 2 368.525 3.827 50 0 FHAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512144 209068867 /nfs/dbraw/zinc/06/88/67/209068867.db2.gz LZCGGYBNHZMWCC-HXUWFJFHSA-N 2 2 371.525 3.687 50 0 FHAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512144 209068871 /nfs/dbraw/zinc/06/88/71/209068871.db2.gz LZCGGYBNHZMWCC-HXUWFJFHSA-N 2 2 371.525 3.687 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512144 209068874 /nfs/dbraw/zinc/06/88/74/209068874.db2.gz LZCGGYBNHZMWCC-HXUWFJFHSA-N 2 2 371.525 3.687 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512144 209068878 /nfs/dbraw/zinc/06/88/78/209068878.db2.gz LZCGGYBNHZMWCC-HXUWFJFHSA-N 2 2 371.525 3.687 50 0 FHAALP COCCn1cc[nH+]c1C1CCN(c2cc(C)c3ccc(F)cc3[nH+]2)CC1 ZINC000095511495 132213333 /nfs/dbraw/zinc/21/33/33/132213333.db2.gz JZDDJHRIGFLVBL-UHFFFAOYSA-N 2 2 368.456 3.909 50 0 FHAALP c1cn(Cc2ccccn2)c([C@H]2CCCN(c3ccc4c([nH+]3)CCCC4)C2)[nH+]1 ZINC000095526462 132214617 /nfs/dbraw/zinc/21/46/17/132214617.db2.gz UIFOYFHQGZMTPB-IBGZPJMESA-N 2 2 373.504 3.984 50 0 FHAALP c1[nH]c2ccccc2c1C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000002734899 132383959 /nfs/dbraw/zinc/38/39/59/132383959.db2.gz JORKXJSOGVYCPP-UHFFFAOYSA-N 2 2 374.532 3.955 50 0 FHAALP CCCn1ncc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1C ZINC000072430012 136146759 /nfs/dbraw/zinc/14/67/59/136146759.db2.gz JWPKJUWIBYFNHM-UHFFFAOYSA-N 2 2 353.514 3.632 50 0 FHAALP CCCn1ncc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1C ZINC000072430012 136146760 /nfs/dbraw/zinc/14/67/60/136146760.db2.gz JWPKJUWIBYFNHM-UHFFFAOYSA-N 2 2 353.514 3.632 50 0 FHAALP CC[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000095527431 263429221 /nfs/dbraw/zinc/42/92/21/263429221.db2.gz WKEUUFTWAWZXDA-HNNXBMFYSA-N 2 2 355.511 3.530 50 0 FHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000091625388 522137915 /nfs/dbraw/zinc/13/79/15/522137915.db2.gz ZGJVWZFPDDPODT-CQSZACIVSA-N 2 2 351.853 3.702 50 0 FHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000091625388 522137924 /nfs/dbraw/zinc/13/79/24/522137924.db2.gz ZGJVWZFPDDPODT-CQSZACIVSA-N 2 2 351.853 3.702 50 0 FHAALP COc1ccc(C[N@H+]2C[C@H]3CC[C@H](C[NH+]3C)C2)cc1OCc1ccccc1 ZINC000091493536 524043114 /nfs/dbraw/zinc/04/31/14/524043114.db2.gz JOJMLBDPTRZHQL-NHCUHLMSSA-N 2 2 366.505 3.800 50 0 FHAALP COc1ccc(C[N@@H+]2C[C@H]3CC[C@H](C[NH+]3C)C2)cc1OCc1ccccc1 ZINC000091493536 524043118 /nfs/dbraw/zinc/04/31/18/524043118.db2.gz JOJMLBDPTRZHQL-NHCUHLMSSA-N 2 2 366.505 3.800 50 0 FHAALP COc1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@H+]3C)C2)cc1OCc1ccccc1 ZINC000091493536 524043121 /nfs/dbraw/zinc/04/31/21/524043121.db2.gz JOJMLBDPTRZHQL-NHCUHLMSSA-N 2 2 366.505 3.800 50 0 FHAALP COc1ccc(C[NH+]2C[C@H]3CC[C@H](C[N@@H+]3C)C2)cc1OCc1ccccc1 ZINC000091493536 524043125 /nfs/dbraw/zinc/04/31/25/524043125.db2.gz JOJMLBDPTRZHQL-NHCUHLMSSA-N 2 2 366.505 3.800 50 0 FHAALP C[NH+](C)Cc1csc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1 ZINC000072480963 536060870 /nfs/dbraw/zinc/06/08/70/536060870.db2.gz GQMYXNDXBPDZJK-UHFFFAOYSA-N 3 2 370.566 3.840 50 0 FHAALP C[NH+](C)Cc1csc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)c1 ZINC000072480963 536060873 /nfs/dbraw/zinc/06/08/73/536060873.db2.gz GQMYXNDXBPDZJK-UHFFFAOYSA-N 3 2 370.566 3.840 50 0 FHAALP CC[C@@H](C)Sc1ncc(C[N@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)cn1 ZINC000215025696 568042973 /nfs/dbraw/zinc/04/29/73/568042973.db2.gz ZMMNYTCFQZAYMK-OAHLLOKOSA-N 2 2 356.539 3.945 50 0 FHAALP CC[C@@H](C)Sc1ncc(C[N@@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)cn1 ZINC000215025696 568042974 /nfs/dbraw/zinc/04/29/74/568042974.db2.gz ZMMNYTCFQZAYMK-OAHLLOKOSA-N 2 2 356.539 3.945 50 0 FHAALP CC[C@@H](C)Sc1ncc(C[NH+](C)Cc2ccc3c(c2)C[N@@H+](C)C3)cn1 ZINC000215025696 568042975 /nfs/dbraw/zinc/04/29/75/568042975.db2.gz ZMMNYTCFQZAYMK-OAHLLOKOSA-N 2 2 356.539 3.945 50 0 FHAALP CC[C@@H](C)Sc1ncc(C[NH+](C)Cc2ccc3c(c2)C[N@H+](C)C3)cn1 ZINC000215025696 568042976 /nfs/dbraw/zinc/04/29/76/568042976.db2.gz ZMMNYTCFQZAYMK-OAHLLOKOSA-N 2 2 356.539 3.945 50 0 FHAALP Cc1ccc(-c2cccc(C(=O)NCC3(C[NH+]4CCCC4)CC3)c2)c(C)[nH+]1 ZINC000426537734 570614942 /nfs/dbraw/zinc/61/49/42/570614942.db2.gz RTOBIZIPQKUZOG-UHFFFAOYSA-N 2 2 363.505 3.971 50 0 FHAALP Fc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000032740416 570789483 /nfs/dbraw/zinc/78/94/83/570789483.db2.gz WUGQAYMEBRMLHU-UHFFFAOYSA-N 2 2 361.424 3.665 50 0 FHAALP CC[N@@H+](Cc1nccs1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015067167 570830876 /nfs/dbraw/zinc/83/08/76/570830876.db2.gz XMYIYEDTLRYFED-LJQANCHMSA-N 2 2 373.566 3.928 50 0 FHAALP CC[N@H+](Cc1nccs1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000015067167 570830878 /nfs/dbraw/zinc/83/08/78/570830878.db2.gz XMYIYEDTLRYFED-LJQANCHMSA-N 2 2 373.566 3.928 50 0 FHAALP CC[NH+](Cc1nccs1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000015067167 570830881 /nfs/dbraw/zinc/83/08/81/570830881.db2.gz XMYIYEDTLRYFED-LJQANCHMSA-N 2 2 373.566 3.928 50 0 FHAALP CC[NH+](Cc1nccs1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000015067167 570830885 /nfs/dbraw/zinc/83/08/85/570830885.db2.gz XMYIYEDTLRYFED-LJQANCHMSA-N 2 2 373.566 3.928 50 0 FHAALP O=C(N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000015079028 570832533 /nfs/dbraw/zinc/83/25/33/570832533.db2.gz DLYYQOBAJBATQP-GOSISDBHSA-N 2 2 366.509 3.851 50 0 FHAALP O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000015079028 570832536 /nfs/dbraw/zinc/83/25/36/570832536.db2.gz DLYYQOBAJBATQP-GOSISDBHSA-N 2 2 366.509 3.851 50 0 FHAALP CC[N@@H+](Cc1cc(C)n[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000023338644 570961656 /nfs/dbraw/zinc/96/16/56/570961656.db2.gz XZPLOWXLJSBGFX-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP CC[N@H+](Cc1cc(C)n[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000023338644 570961662 /nfs/dbraw/zinc/96/16/62/570961662.db2.gz XZPLOWXLJSBGFX-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1cc(C)n[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000023338644 570961668 /nfs/dbraw/zinc/96/16/68/570961668.db2.gz XZPLOWXLJSBGFX-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1cc(C)n[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000023338644 570961671 /nfs/dbraw/zinc/96/16/71/570961671.db2.gz XZPLOWXLJSBGFX-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000029402778 571039092 /nfs/dbraw/zinc/03/90/92/571039092.db2.gz STMSVCOCNUJVLQ-IBGZPJMESA-N 2 2 368.868 3.558 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000067894554 571151541 /nfs/dbraw/zinc/15/15/41/571151541.db2.gz RUJUFUTWXSIMGW-AWEZNQCLSA-N 2 2 358.869 3.517 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000067894554 571151542 /nfs/dbraw/zinc/15/15/42/571151542.db2.gz RUJUFUTWXSIMGW-AWEZNQCLSA-N 2 2 358.869 3.517 50 0 FHAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](C[C@H]2CCC[NH2+]C2)CCO3)s1 ZINC000067967401 571152598 /nfs/dbraw/zinc/15/25/98/571152598.db2.gz XGDJYIZQZZKAHX-HNNXBMFYSA-N 2 2 358.507 3.623 50 0 FHAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](C[C@H]2CCC[NH2+]C2)CCO3)s1 ZINC000067967401 571152601 /nfs/dbraw/zinc/15/26/01/571152601.db2.gz XGDJYIZQZZKAHX-HNNXBMFYSA-N 2 2 358.507 3.623 50 0 FHAALP CCc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071682208 571163273 /nfs/dbraw/zinc/16/32/73/571163273.db2.gz MWLNNOPJQQAJIX-INIZCTEOSA-N 2 2 354.281 3.826 50 0 FHAALP CCc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071682208 571163275 /nfs/dbraw/zinc/16/32/75/571163275.db2.gz MWLNNOPJQQAJIX-INIZCTEOSA-N 2 2 354.281 3.826 50 0 FHAALP Cc1nc(-c2cccc(-n3cc[nH+]c3C3CC[NH+](C(C)C)CC3)c2)n[nH]1 ZINC000071730427 571164060 /nfs/dbraw/zinc/16/40/60/571164060.db2.gz QLXCINYDLUKAEK-UHFFFAOYSA-N 2 2 350.470 3.554 50 0 FHAALP Cn1nc(C[N@@H+]2CCCC[C@H]2CCn2cc[nH+]c2)c2c1cccc2Cl ZINC000077406327 571210161 /nfs/dbraw/zinc/21/01/61/571210161.db2.gz MEICEFSCZSYQCA-HNNXBMFYSA-N 2 2 357.889 3.868 50 0 FHAALP Cn1nc(C[N@H+]2CCCC[C@H]2CCn2cc[nH+]c2)c2c1cccc2Cl ZINC000077406327 571210164 /nfs/dbraw/zinc/21/01/64/571210164.db2.gz MEICEFSCZSYQCA-HNNXBMFYSA-N 2 2 357.889 3.868 50 0 FHAALP CC(C)c1nnc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)o1 ZINC000091254521 571238644 /nfs/dbraw/zinc/23/86/44/571238644.db2.gz WGQBMMZDKBNKAR-IBGZPJMESA-N 2 2 368.525 3.895 50 0 FHAALP CC(C)c1nnc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)o1 ZINC000091254521 571238645 /nfs/dbraw/zinc/23/86/45/571238645.db2.gz WGQBMMZDKBNKAR-IBGZPJMESA-N 2 2 368.525 3.895 50 0 FHAALP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000170676408 571284942 /nfs/dbraw/zinc/28/49/42/571284942.db2.gz YXMKEUDBGAPEKE-HNNXBMFYSA-N 2 2 367.415 3.816 50 0 FHAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028240676 571338761 /nfs/dbraw/zinc/33/87/61/571338761.db2.gz CQCLZDAMYACAEG-NRFANRHFSA-N 2 2 360.461 3.784 50 0 FHAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000028240676 571338762 /nfs/dbraw/zinc/33/87/62/571338762.db2.gz CQCLZDAMYACAEG-NRFANRHFSA-N 2 2 360.461 3.784 50 0 FHAALP CC(C)(CO)[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291091772 934044719 /nfs/dbraw/zinc/04/47/19/934044719.db2.gz HVZDQEMPIKMJOG-GOSISDBHSA-N 2 2 372.475 3.795 50 0 FHAALP COCCO[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000257177214 942490813 /nfs/dbraw/zinc/49/08/13/942490813.db2.gz DMLBDJXONDLHFF-JOCHJYFZSA-N 2 2 372.553 3.701 50 0 FHAALP COCCO[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C12CCCCC2 ZINC000257177214 942490817 /nfs/dbraw/zinc/49/08/17/942490817.db2.gz DMLBDJXONDLHFF-JOCHJYFZSA-N 2 2 372.553 3.701 50 0 FHAALP CCCC[NH+](CCCC)CCC[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000261491807 210005947 /nfs/dbraw/zinc/00/59/47/210005947.db2.gz KPYXHPKVGUBOCF-UHFFFAOYSA-N 2 2 357.546 3.864 50 0 FHAALP O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097797346 209196058 /nfs/dbraw/zinc/19/60/58/209196058.db2.gz WAVZHYARYMDUOR-LJQANCHMSA-N 2 2 374.488 3.686 50 0 FHAALP O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097797346 209196064 /nfs/dbraw/zinc/19/60/64/209196064.db2.gz WAVZHYARYMDUOR-LJQANCHMSA-N 2 2 374.488 3.686 50 0 FHAALP Cc1ccc([C@@H](CNC(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)[NH+](C)C)o1 ZINC000096131120 209116416 /nfs/dbraw/zinc/11/64/16/209116416.db2.gz PNEGDYWIQXGXIC-GOSISDBHSA-N 2 2 367.453 3.507 50 0 FHAALP COc1cc[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c1 ZINC000095358111 209025558 /nfs/dbraw/zinc/02/55/58/209025558.db2.gz KHJFBNPGLMNQOD-RBBKRZOGSA-N 2 2 365.521 3.619 50 0 FHAALP COc1cc[nH+]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)c1 ZINC000095358111 209025561 /nfs/dbraw/zinc/02/55/61/209025561.db2.gz KHJFBNPGLMNQOD-RBBKRZOGSA-N 2 2 365.521 3.619 50 0 FHAALP O=C(CC[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1)NC1CCCCC1 ZINC000095367388 209030904 /nfs/dbraw/zinc/03/09/04/209030904.db2.gz NHMROIWDHQCEBN-IBGZPJMESA-N 2 2 372.557 3.702 50 0 FHAALP O=C(CC[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1)NC1CCCCC1 ZINC000095367388 209030907 /nfs/dbraw/zinc/03/09/07/209030907.db2.gz NHMROIWDHQCEBN-IBGZPJMESA-N 2 2 372.557 3.702 50 0 FHAALP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@@H](c3ccccc3)C[N@H+]2C)CC1 ZINC000095511438 209069629 /nfs/dbraw/zinc/06/96/29/209069629.db2.gz YASLDDFKRWNICI-OAQYLSRUSA-N 3 2 352.526 3.536 50 0 FHAALP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@@H](c3ccccc3)C[N@@H+]2C)CC1 ZINC000095511438 209069631 /nfs/dbraw/zinc/06/96/31/209069631.db2.gz YASLDDFKRWNICI-OAQYLSRUSA-N 3 2 352.526 3.536 50 0 FHAALP CSc1c[nH+]c2ccccc2c1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096011485 132216920 /nfs/dbraw/zinc/21/69/20/132216920.db2.gz WHCMYXXJPNZRLR-UHFFFAOYSA-N 2 2 354.479 3.575 50 0 FHAALP COc1ccc(C[NH+]2CC(Oc3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000214976772 568036817 /nfs/dbraw/zinc/03/68/17/568036817.db2.gz CCIMCKHWEASLFX-UHFFFAOYSA-N 2 2 352.478 3.554 50 0 FHAALP Cc1ccc(C[N@H+](C)Cc2cc(C)cc(C[NH+]3CCN(C)CC3)c2C)o1 ZINC000215290133 568062211 /nfs/dbraw/zinc/06/22/11/568062211.db2.gz PMWDIPPREILETF-UHFFFAOYSA-N 2 2 355.526 3.584 50 0 FHAALP COc1cc2c(cc1C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)O[C@H](C)C2 ZINC000022771320 568308590 /nfs/dbraw/zinc/30/85/90/568308590.db2.gz VZPCDOPLRKFMMN-QGZVFWFLSA-N 2 2 366.505 3.773 50 0 FHAALP CSc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1 ZINC000091781014 570438337 /nfs/dbraw/zinc/43/83/37/570438337.db2.gz NTLYREFSXUONKF-ZWKOTPCHSA-N 2 2 356.539 3.536 50 0 FHAALP CSc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2[nH]c[nH+]c2C)C3)cc1 ZINC000091781014 570438342 /nfs/dbraw/zinc/43/83/42/570438342.db2.gz NTLYREFSXUONKF-ZWKOTPCHSA-N 2 2 356.539 3.536 50 0 FHAALP Cc1ccc2c(c1)c1c(n2CCc2cccnc2)CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000075567662 570632478 /nfs/dbraw/zinc/63/24/78/570632478.db2.gz GTNVLPGWSSUGBK-UHFFFAOYSA-N 2 2 374.532 3.698 50 0 FHAALP Cc1ccc2c(c1)c1c(n2CCc2cccnc2)CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000075567662 570632480 /nfs/dbraw/zinc/63/24/80/570632480.db2.gz GTNVLPGWSSUGBK-UHFFFAOYSA-N 2 2 374.532 3.698 50 0 FHAALP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922517 570894356 /nfs/dbraw/zinc/89/43/56/570894356.db2.gz ZTWSFFSBFYQQQV-HUUCEWRRSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922517 570894360 /nfs/dbraw/zinc/89/43/60/570894360.db2.gz ZTWSFFSBFYQQQV-HUUCEWRRSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922517 570894361 /nfs/dbraw/zinc/89/43/61/570894361.db2.gz ZTWSFFSBFYQQQV-HUUCEWRRSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922517 570894362 /nfs/dbraw/zinc/89/43/62/570894362.db2.gz ZTWSFFSBFYQQQV-HUUCEWRRSA-N 2 2 371.447 3.696 50 0 FHAALP Cc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3[nH+]2)cc1 ZINC000020191365 570913246 /nfs/dbraw/zinc/91/32/46/570913246.db2.gz KOQCXHCAIGHGLJ-UHFFFAOYSA-N 2 2 360.461 3.597 50 0 FHAALP CC1CC[NH+]([C@@H](C[NH2+]C[C@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000022030061 570937811 /nfs/dbraw/zinc/93/78/11/570937811.db2.gz XVMDYZMIUIBHTN-ICSRJNTNSA-N 2 2 374.550 3.551 50 0 FHAALP CCCCc1[nH]c(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)c[nH+]1 ZINC000022851474 570950997 /nfs/dbraw/zinc/95/09/97/570950997.db2.gz CXDMHSQWIWGAJY-OAQYLSRUSA-N 2 2 354.542 3.891 50 0 FHAALP CCCCc1[nH]c(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c[nH+]1 ZINC000022851474 570951001 /nfs/dbraw/zinc/95/10/01/570951001.db2.gz CXDMHSQWIWGAJY-OAQYLSRUSA-N 2 2 354.542 3.891 50 0 FHAALP CCCCc1[nH]cc(CN2CCC[C@@H]([N@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000022851474 570951006 /nfs/dbraw/zinc/95/10/06/570951006.db2.gz CXDMHSQWIWGAJY-OAQYLSRUSA-N 2 2 354.542 3.891 50 0 FHAALP CCCCc1[nH]cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[nH+]1 ZINC000022851474 570951011 /nfs/dbraw/zinc/95/10/11/570951011.db2.gz CXDMHSQWIWGAJY-OAQYLSRUSA-N 2 2 354.542 3.891 50 0 FHAALP CCc1[nH+]c2ccccc2c(NC(=O)C[NH2+]CCc2ccc(O)cc2)c1C ZINC000003683743 571072032 /nfs/dbraw/zinc/07/20/32/571072032.db2.gz AKYBRTWSYUDJIL-UHFFFAOYSA-N 2 2 363.461 3.582 50 0 FHAALP O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000067697107 571148596 /nfs/dbraw/zinc/14/85/96/571148596.db2.gz HLXIOKBNBOVKOA-UHFFFAOYSA-N 2 2 352.482 3.848 50 0 FHAALP C[C@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131965 571171072 /nfs/dbraw/zinc/17/10/72/571171072.db2.gz UDNVRNVASRNTDN-KRWDZBQOSA-N 2 2 363.509 3.755 50 0 FHAALP C[C@H]1CCC[N@H+]1Cc1cc2n(n1)CCC[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131965 571171076 /nfs/dbraw/zinc/17/10/76/571171076.db2.gz UDNVRNVASRNTDN-KRWDZBQOSA-N 2 2 363.509 3.755 50 0 FHAALP C[C@H]1CCC[NH+]1Cc1cc2n(n1)CCC[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131965 571171079 /nfs/dbraw/zinc/17/10/79/571171079.db2.gz UDNVRNVASRNTDN-KRWDZBQOSA-N 2 2 363.509 3.755 50 0 FHAALP C[C@H]1CCC[NH+]1Cc1cc2n(n1)CCC[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131965 571171080 /nfs/dbraw/zinc/17/10/80/571171080.db2.gz UDNVRNVASRNTDN-KRWDZBQOSA-N 2 2 363.509 3.755 50 0 FHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4cnc(N(C)C)s4)CC3)[nH]c21 ZINC000072145290 571173061 /nfs/dbraw/zinc/17/30/61/571173061.db2.gz NVKMABVZANQKHC-UHFFFAOYSA-N 2 2 355.511 3.773 50 0 FHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4cnc(N(C)C)s4)CC3)[nH+]c21 ZINC000072145290 571173063 /nfs/dbraw/zinc/17/30/63/571173063.db2.gz NVKMABVZANQKHC-UHFFFAOYSA-N 2 2 355.511 3.773 50 0 FHAALP [NH3+]CCc1cccc(C[N@@H+]2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077425217 571211192 /nfs/dbraw/zinc/21/11/92/571211192.db2.gz MGPYKAKRFDDYGI-FQEVSTJZSA-N 2 2 352.457 3.930 50 0 FHAALP [NH3+]CCc1cccc(C[N@H+]2CCCC[C@H]2c2nc3ccc(F)cc3[nH]2)c1 ZINC000077425217 571211194 /nfs/dbraw/zinc/21/11/94/571211194.db2.gz MGPYKAKRFDDYGI-FQEVSTJZSA-N 2 2 352.457 3.930 50 0 FHAALP COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)c(C)o2)cc1 ZINC000082083190 571227702 /nfs/dbraw/zinc/22/77/02/571227702.db2.gz ZXXCKAYQCFJZSV-QGZVFWFLSA-N 2 2 366.465 3.772 50 0 FHAALP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)c(C)o2)cc1 ZINC000082083190 571227703 /nfs/dbraw/zinc/22/77/03/571227703.db2.gz ZXXCKAYQCFJZSV-QGZVFWFLSA-N 2 2 366.465 3.772 50 0 FHAALP C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020998820 571332173 /nfs/dbraw/zinc/33/21/73/571332173.db2.gz WATFVIOMNZUQER-HNNXBMFYSA-N 2 2 354.416 3.694 50 0 FHAALP C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000020998820 571332174 /nfs/dbraw/zinc/33/21/74/571332174.db2.gz WATFVIOMNZUQER-HNNXBMFYSA-N 2 2 354.416 3.694 50 0 FHAALP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375216 940297222 /nfs/dbraw/zinc/29/72/22/940297222.db2.gz KMPNDMNCMHGXMJ-SFHVURJKSA-N 2 2 357.464 3.553 50 0 FHAALP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375216 940297227 /nfs/dbraw/zinc/29/72/27/940297227.db2.gz KMPNDMNCMHGXMJ-SFHVURJKSA-N 2 2 357.464 3.553 50 0 FHAALP CN(CCC[NH+](C)C)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375216 940297230 /nfs/dbraw/zinc/29/72/30/940297230.db2.gz KMPNDMNCMHGXMJ-SFHVURJKSA-N 2 2 357.464 3.553 50 0 FHAALP Cc1[nH+]ccn1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106963905 209274323 /nfs/dbraw/zinc/27/43/23/209274323.db2.gz WKLOKGGELGBBDD-OAQYLSRUSA-N 2 2 358.505 3.563 50 0 FHAALP Cc1[nH+]ccn1CC[N@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106963905 209274326 /nfs/dbraw/zinc/27/43/26/209274326.db2.gz WKLOKGGELGBBDD-OAQYLSRUSA-N 2 2 358.505 3.563 50 0 FHAALP Cc1[nH+]ccn1CCN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106963905 209274329 /nfs/dbraw/zinc/27/43/29/209274329.db2.gz WKLOKGGELGBBDD-OAQYLSRUSA-N 2 2 358.505 3.563 50 0 FHAALP Cc1[nH+]ccn1CCN1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000106963905 209274332 /nfs/dbraw/zinc/27/43/32/209274332.db2.gz WKLOKGGELGBBDD-OAQYLSRUSA-N 2 2 358.505 3.563 50 0 FHAALP CC[NH+](CC)CCOC(=O)c1ccc(N2Cc3ccccc3C2=[NH2+])cc1 ZINC000102129205 209232666 /nfs/dbraw/zinc/23/26/66/209232666.db2.gz BVXGPWOYJYTHKS-UHFFFAOYSA-N 2 2 351.450 3.531 50 0 FHAALP CC[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3-c2cccc(C)c2C)CC1 ZINC000011954926 207333131 /nfs/dbraw/zinc/33/31/31/207333131.db2.gz QWEHUNASIKJGFG-FQEVSTJZSA-N 2 2 352.526 3.940 50 0 FHAALP CC[NH+]1CCC([NH2+][C@H](C)c2cnc(N3CCCCCCC3)nc2C)CC1 ZINC000011844558 207325440 /nfs/dbraw/zinc/32/54/40/207325440.db2.gz BXKDUIMUFCJLBQ-QGZVFWFLSA-N 2 2 359.562 3.690 50 0 FHAALP Cc1ccc[nH+]c1CCNc1nc(-c2ccc(Cl)cc2)nc2c1C[NH2+]C2 ZINC000072134354 208804168 /nfs/dbraw/zinc/80/41/68/208804168.db2.gz JVOMPBSNWUKUKQ-UHFFFAOYSA-N 2 2 365.868 3.758 50 0 FHAALP C(c1nnc(C2CC[NH+](CC3CCCC3)CC2)n1C1CC1)[NH+]1CCCC1 ZINC000077385670 208902841 /nfs/dbraw/zinc/90/28/41/208902841.db2.gz ALCBFUFVAQELEC-UHFFFAOYSA-N 2 2 357.546 3.578 50 0 FHAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)c[nH+]1 ZINC000091965668 209007926 /nfs/dbraw/zinc/00/79/26/209007926.db2.gz MVEQCOQBWOZSAH-GHTZIAJQSA-N 2 2 370.516 3.988 50 0 FHAALP CCCCc1[nH]c(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)c[nH+]1 ZINC000091965668 209007930 /nfs/dbraw/zinc/00/79/30/209007930.db2.gz MVEQCOQBWOZSAH-GHTZIAJQSA-N 2 2 370.516 3.988 50 0 FHAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccc(F)cc2)C3)[nH+]1 ZINC000091965668 209007932 /nfs/dbraw/zinc/00/79/32/209007932.db2.gz MVEQCOQBWOZSAH-GHTZIAJQSA-N 2 2 370.516 3.988 50 0 FHAALP CCCCc1[nH]cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)[nH+]1 ZINC000091965668 209007936 /nfs/dbraw/zinc/00/79/36/209007936.db2.gz MVEQCOQBWOZSAH-GHTZIAJQSA-N 2 2 370.516 3.988 50 0 FHAALP CSc1ccc2c(C)cc(N3CCC(C[NH+]4CCOCC4)CC3)[nH+]c2c1 ZINC000077485561 132187013 /nfs/dbraw/zinc/18/70/13/132187013.db2.gz ATLGEDJDPVUDCK-UHFFFAOYSA-N 2 2 371.550 3.814 50 0 FHAALP CSc1ccc2[nH+]c(N3CCC([NH+]4CCC(O)CC4)CC3)cc(C)c2c1 ZINC000095360620 132207728 /nfs/dbraw/zinc/20/77/28/132207728.db2.gz OERVKHFDFAENOF-UHFFFAOYSA-N 2 2 371.550 3.691 50 0 FHAALP Cc1cc(N2CCC([NH2+]Cc3cncn3CC(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000095519328 132213860 /nfs/dbraw/zinc/21/38/60/132213860.db2.gz CQDOMQNRLNWJRD-UHFFFAOYSA-N 2 2 370.545 3.520 50 0 FHAALP O[C@H]1CCCN(c2[nH+]cccc2CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000067677146 136137410 /nfs/dbraw/zinc/13/74/10/136137410.db2.gz MUIBZCKOEZRZPD-INIZCTEOSA-N 2 2 368.868 3.856 50 0 FHAALP CCC[N@@H+]1CCCn2nc(CNc3cc(C(F)(F)F)cc[nH+]3)cc2C1 ZINC000082083536 519855275 /nfs/dbraw/zinc/85/52/75/519855275.db2.gz UAFHZLRKCPEPBG-UHFFFAOYSA-N 2 2 353.392 3.525 50 0 FHAALP CCC[N@H+]1CCCn2nc(CNc3cc(C(F)(F)F)cc[nH+]3)cc2C1 ZINC000082083536 519855276 /nfs/dbraw/zinc/85/52/76/519855276.db2.gz UAFHZLRKCPEPBG-UHFFFAOYSA-N 2 2 353.392 3.525 50 0 FHAALP CC[C@H](C)Sc1ncc(C[N@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)cn1 ZINC000215025741 568043015 /nfs/dbraw/zinc/04/30/15/568043015.db2.gz ZMMNYTCFQZAYMK-HNNXBMFYSA-N 2 2 356.539 3.945 50 0 FHAALP CC[C@H](C)Sc1ncc(C[N@@H+](C)Cc2ccc3c(c2)C[NH+](C)C3)cn1 ZINC000215025741 568043017 /nfs/dbraw/zinc/04/30/17/568043017.db2.gz ZMMNYTCFQZAYMK-HNNXBMFYSA-N 2 2 356.539 3.945 50 0 FHAALP CC[C@H](C)Sc1ncc(C[NH+](C)Cc2ccc3c(c2)C[N@@H+](C)C3)cn1 ZINC000215025741 568043019 /nfs/dbraw/zinc/04/30/19/568043019.db2.gz ZMMNYTCFQZAYMK-HNNXBMFYSA-N 2 2 356.539 3.945 50 0 FHAALP CC[C@H](C)Sc1ncc(C[NH+](C)Cc2ccc3c(c2)C[N@H+](C)C3)cn1 ZINC000215025741 568043020 /nfs/dbraw/zinc/04/30/20/568043020.db2.gz ZMMNYTCFQZAYMK-HNNXBMFYSA-N 2 2 356.539 3.945 50 0 FHAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1F ZINC000010314007 570699823 /nfs/dbraw/zinc/69/98/23/570699823.db2.gz IQZUSBJIPKKESR-UHFFFAOYSA-N 2 2 369.440 3.790 50 0 FHAALP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000023479850 570964616 /nfs/dbraw/zinc/96/46/16/570964616.db2.gz AAYGRTBBEGXHTF-NRFANRHFSA-N 2 2 361.493 3.508 50 0 FHAALP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000023479850 570964618 /nfs/dbraw/zinc/96/46/18/570964618.db2.gz AAYGRTBBEGXHTF-NRFANRHFSA-N 2 2 361.493 3.508 50 0 FHAALP COc1cc[nH+]c(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071776374 571166551 /nfs/dbraw/zinc/16/65/51/571166551.db2.gz SVTUKWAVMGNGCK-JOCHJYFZSA-N 2 2 371.500 3.962 50 0 FHAALP COc1cc[nH+]c(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)c1 ZINC000071776374 571166552 /nfs/dbraw/zinc/16/65/52/571166552.db2.gz SVTUKWAVMGNGCK-JOCHJYFZSA-N 2 2 371.500 3.962 50 0 FHAALP c1cn(C[C@@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)c[nH+]1 ZINC000072141769 571171914 /nfs/dbraw/zinc/17/19/14/571171914.db2.gz IDVBGUKGIHSSRQ-HXUWFJFHSA-N 2 2 362.477 3.769 50 0 FHAALP c1cn(C[C@@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)c[nH+]1 ZINC000072141769 571171916 /nfs/dbraw/zinc/17/19/16/571171916.db2.gz IDVBGUKGIHSSRQ-HXUWFJFHSA-N 2 2 362.477 3.769 50 0 FHAALP c1ccc2[nH+]c(C[C@@H]3CCC[N@H+](Cc4cccc5nccnc45)C3)[nH]c2c1 ZINC000072168796 571177453 /nfs/dbraw/zinc/17/74/53/571177453.db2.gz LIDILUUWTVWVBW-INIZCTEOSA-N 2 2 357.461 3.961 50 0 FHAALP c1ccc2[nH+]c(C[C@@H]3CCC[N@@H+](Cc4cccc5nccnc45)C3)[nH]c2c1 ZINC000072168796 571177455 /nfs/dbraw/zinc/17/74/55/571177455.db2.gz LIDILUUWTVWVBW-INIZCTEOSA-N 2 2 357.461 3.961 50 0 FHAALP CC(C)c1noc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000085532693 571233625 /nfs/dbraw/zinc/23/36/25/571233625.db2.gz CZWPUQMLYBYKJK-SFHVURJKSA-N 2 2 365.481 3.817 50 0 FHAALP CC(C)c1noc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)n1 ZINC000085532693 571233627 /nfs/dbraw/zinc/23/36/27/571233627.db2.gz CZWPUQMLYBYKJK-SFHVURJKSA-N 2 2 365.481 3.817 50 0 FHAALP O=C(c1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000426677464 571234785 /nfs/dbraw/zinc/23/47/85/571234785.db2.gz LNEWPGZNCILUDO-HXUWFJFHSA-N 2 2 366.509 3.806 50 0 FHAALP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000091665313 571242024 /nfs/dbraw/zinc/24/20/24/571242024.db2.gz MEJPUJAJMSQYHF-FQEVSTJZSA-N 3 2 352.526 3.810 50 0 FHAALP CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000091665313 571242025 /nfs/dbraw/zinc/24/20/25/571242025.db2.gz MEJPUJAJMSQYHF-FQEVSTJZSA-N 3 2 352.526 3.810 50 0 FHAALP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000252500087 571281286 /nfs/dbraw/zinc/28/12/86/571281286.db2.gz SMZPVVZAKAOJGV-INIZCTEOSA-N 2 2 369.513 3.738 50 0 FHAALP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000252500087 571281287 /nfs/dbraw/zinc/28/12/87/571281287.db2.gz SMZPVVZAKAOJGV-INIZCTEOSA-N 2 2 369.513 3.738 50 0 FHAALP O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000096797774 209157256 /nfs/dbraw/zinc/15/72/56/209157256.db2.gz UOJIHWBBJXSABY-KRWDZBQOSA-N 2 2 365.304 3.502 50 0 FHAALP O[C@@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000096797774 209157259 /nfs/dbraw/zinc/15/72/59/209157259.db2.gz UOJIHWBBJXSABY-KRWDZBQOSA-N 2 2 365.304 3.502 50 0 FHAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000008583049 207238546 /nfs/dbraw/zinc/23/85/46/207238546.db2.gz ORMFAIJKUKFBBX-UHFFFAOYSA-N 2 2 352.486 3.576 50 0 FHAALP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3-c2cccc(C)c2C)CC1 ZINC000011954921 207333029 /nfs/dbraw/zinc/33/30/29/207333029.db2.gz QWEHUNASIKJGFG-HXUWFJFHSA-N 2 2 352.526 3.940 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000095376132 209037223 /nfs/dbraw/zinc/03/72/23/209037223.db2.gz WUPHSJYJCITDBM-QGZVFWFLSA-N 2 2 352.526 3.959 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000095376132 209037225 /nfs/dbraw/zinc/03/72/25/209037225.db2.gz WUPHSJYJCITDBM-QGZVFWFLSA-N 2 2 352.526 3.959 50 0 FHAALP Cc1cc(C[NH+]2CCCC[C@H]2C)c(C)c(C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000095376132 209037227 /nfs/dbraw/zinc/03/72/27/209037227.db2.gz WUPHSJYJCITDBM-QGZVFWFLSA-N 2 2 352.526 3.959 50 0 FHAALP Cc1cc(C[NH+]2CCCC[C@H]2C)c(C)c(C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000095376132 209037230 /nfs/dbraw/zinc/03/72/30/209037230.db2.gz WUPHSJYJCITDBM-QGZVFWFLSA-N 2 2 352.526 3.959 50 0 FHAALP Cc1ccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000000756662 132378395 /nfs/dbraw/zinc/37/83/95/132378395.db2.gz OYJMZQRVIODIPC-UHFFFAOYSA-N 2 2 363.549 3.824 50 0 FHAALP Fc1ccccc1N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000000757062 132378405 /nfs/dbraw/zinc/37/84/05/132378405.db2.gz YSKWXJMXCUPIJC-UHFFFAOYSA-N 2 2 353.485 3.612 50 0 FHAALP c1cc(-c2ccc(C[N@@H+]3CCCC34CCN(c3cccc[nH+]3)CC4)o2)n[nH]1 ZINC000072409003 136145371 /nfs/dbraw/zinc/14/53/71/136145371.db2.gz GQHPNPVYZSUREG-UHFFFAOYSA-N 2 2 363.465 3.700 50 0 FHAALP c1cc(-c2ccc(C[N@H+]3CCCC34CCN(c3cccc[nH+]3)CC4)o2)n[nH]1 ZINC000072409003 136145372 /nfs/dbraw/zinc/14/53/72/136145372.db2.gz GQHPNPVYZSUREG-UHFFFAOYSA-N 2 2 363.465 3.700 50 0 FHAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000091536499 522134762 /nfs/dbraw/zinc/13/47/62/522134762.db2.gz FNIPUMXYBZEIPI-UHFFFAOYSA-N 2 2 351.853 3.702 50 0 FHAALP C[C@H](c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1)[NH+]1CCCC1 ZINC000216215001 568112993 /nfs/dbraw/zinc/11/29/93/568112993.db2.gz YTPGWTJYSWUKLK-LJQANCHMSA-N 2 2 364.537 3.653 50 0 FHAALP c1ccc(CCC[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000004712106 570602964 /nfs/dbraw/zinc/60/29/64/570602964.db2.gz HOGUBVACCVUSMW-UHFFFAOYSA-N 2 2 363.549 3.906 50 0 FHAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(C)cc1 ZINC000010314084 570699870 /nfs/dbraw/zinc/69/98/70/570699870.db2.gz MGMRQXKVIOWZIF-UHFFFAOYSA-N 2 2 365.477 3.959 50 0 FHAALP CCOc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1F ZINC000013736301 570788691 /nfs/dbraw/zinc/78/86/91/570788691.db2.gz FEYXWQFBRIGBAM-UHFFFAOYSA-N 2 2 360.473 3.845 50 0 FHAALP Cc1ccc(C(=O)Nc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000022820511 570950825 /nfs/dbraw/zinc/95/08/25/570950825.db2.gz PWERUMSCUFZEMO-UHFFFAOYSA-N 2 2 363.505 3.964 50 0 FHAALP CC[N@@H+](Cc1cc(C)n[nH]1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000023338645 570961705 /nfs/dbraw/zinc/96/17/05/570961705.db2.gz XZPLOWXLJSBGFX-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP CC[N@H+](Cc1cc(C)n[nH]1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000023338645 570961708 /nfs/dbraw/zinc/96/17/08/570961708.db2.gz XZPLOWXLJSBGFX-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1cc(C)n[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000023338645 570961711 /nfs/dbraw/zinc/96/17/11/570961711.db2.gz XZPLOWXLJSBGFX-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1cc(C)n[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000023338645 570961714 /nfs/dbraw/zinc/96/17/14/570961714.db2.gz XZPLOWXLJSBGFX-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308816 571066709 /nfs/dbraw/zinc/06/67/09/571066709.db2.gz ZTWSFFSBFYQQQV-GJZGRUSLSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308816 571066712 /nfs/dbraw/zinc/06/67/12/571066712.db2.gz ZTWSFFSBFYQQQV-GJZGRUSLSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308816 571066714 /nfs/dbraw/zinc/06/67/14/571066714.db2.gz ZTWSFFSBFYQQQV-GJZGRUSLSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308816 571066717 /nfs/dbraw/zinc/06/67/17/571066717.db2.gz ZTWSFFSBFYQQQV-GJZGRUSLSA-N 2 2 371.447 3.696 50 0 FHAALP C[N@@H+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000244708268 571114646 /nfs/dbraw/zinc/11/46/46/571114646.db2.gz KQKBDTACOSACJE-IBGZPJMESA-N 2 2 362.477 3.691 50 0 FHAALP C[N@H+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000244708268 571114648 /nfs/dbraw/zinc/11/46/48/571114648.db2.gz KQKBDTACOSACJE-IBGZPJMESA-N 2 2 362.477 3.691 50 0 FHAALP C[NH+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000244708268 571114649 /nfs/dbraw/zinc/11/46/49/571114649.db2.gz KQKBDTACOSACJE-IBGZPJMESA-N 2 2 362.477 3.691 50 0 FHAALP C[NH+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000244708268 571114651 /nfs/dbraw/zinc/11/46/51/571114651.db2.gz KQKBDTACOSACJE-IBGZPJMESA-N 2 2 362.477 3.691 50 0 FHAALP CC[N@@H+]1CC[C@H](C[NH+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934389 571152112 /nfs/dbraw/zinc/15/21/12/571152112.db2.gz ALUWEYBEYGERAA-INIZCTEOSA-N 2 2 372.534 3.965 50 0 FHAALP CC[N@H+]1CC[C@H](C[NH+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934389 571152114 /nfs/dbraw/zinc/15/21/14/571152114.db2.gz ALUWEYBEYGERAA-INIZCTEOSA-N 2 2 372.534 3.965 50 0 FHAALP CC[NH+]1CC[C@H](C[N@@H+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934389 571152115 /nfs/dbraw/zinc/15/21/15/571152115.db2.gz ALUWEYBEYGERAA-INIZCTEOSA-N 2 2 372.534 3.965 50 0 FHAALP CC[NH+]1CC[C@H](C[N@H+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934389 571152118 /nfs/dbraw/zinc/15/21/18/571152118.db2.gz ALUWEYBEYGERAA-INIZCTEOSA-N 2 2 372.534 3.965 50 0 FHAALP COc1cc[nH+]c(CN2CCC[N@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071776373 571166524 /nfs/dbraw/zinc/16/65/24/571166524.db2.gz SVTUKWAVMGNGCK-QFIPXVFZSA-N 2 2 371.500 3.962 50 0 FHAALP COc1cc[nH+]c(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)c1 ZINC000071776373 571166525 /nfs/dbraw/zinc/16/65/25/571166525.db2.gz SVTUKWAVMGNGCK-QFIPXVFZSA-N 2 2 371.500 3.962 50 0 FHAALP Oc1cc(CC[C@@H]2CCCC[NH2+]2)cc(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC000071775522 571166600 /nfs/dbraw/zinc/16/66/00/571166600.db2.gz ODZVFRXDRGRNOT-FQEVSTJZSA-N 2 2 362.477 3.774 50 0 FHAALP Cc1[nH+]cnc(N2CCC([C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)c1C ZINC000072140177 571172068 /nfs/dbraw/zinc/17/20/68/571172068.db2.gz VIMICXIYHYLSLE-QFIPXVFZSA-N 2 2 364.537 3.874 50 0 FHAALP Cc1[nH+]cnc(N2CCC([C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)c1C ZINC000072140177 571172071 /nfs/dbraw/zinc/17/20/71/571172071.db2.gz VIMICXIYHYLSLE-QFIPXVFZSA-N 2 2 364.537 3.874 50 0 FHAALP COc1cccc(NC(=O)[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc2)c1 ZINC000003280544 571178708 /nfs/dbraw/zinc/17/87/08/571178708.db2.gz NQHHMBWKJXCDBX-HXUWFJFHSA-N 2 2 369.509 3.552 50 0 FHAALP Cc1nc(N(C)Cc2ccccc2C[NH+]2CCCC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000426361255 571215522 /nfs/dbraw/zinc/21/55/22/571215522.db2.gz JPWWEQNDAMCJOF-HXUWFJFHSA-N 2 2 366.509 3.521 50 0 FHAALP COCCn1cc[nH+]c1C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000091325474 571239012 /nfs/dbraw/zinc/23/90/12/571239012.db2.gz QQWQDKFUDMTFEC-UHFFFAOYSA-N 2 2 367.415 3.928 50 0 FHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091325943 571239035 /nfs/dbraw/zinc/23/90/35/571239035.db2.gz SOPYWIGZSDCEIY-INIZCTEOSA-N 2 2 367.415 3.928 50 0 FHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091325943 571239037 /nfs/dbraw/zinc/23/90/37/571239037.db2.gz SOPYWIGZSDCEIY-INIZCTEOSA-N 2 2 367.415 3.928 50 0 FHAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000091746235 571243419 /nfs/dbraw/zinc/24/34/19/571243419.db2.gz NAWYQNCDHSXPNL-IBGZPJMESA-N 2 2 372.488 3.612 50 0 FHAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1cnn2-c1ccc(C)c(Cl)c1 ZINC000017287556 571275694 /nfs/dbraw/zinc/27/56/94/571275694.db2.gz ZOKDGLPZEFNJLL-UHFFFAOYSA-N 2 2 372.904 3.921 50 0 FHAALP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000252500088 571281279 /nfs/dbraw/zinc/28/12/79/571281279.db2.gz SMZPVVZAKAOJGV-MRXNPFEDSA-N 2 2 369.513 3.738 50 0 FHAALP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000252500088 571281281 /nfs/dbraw/zinc/28/12/81/571281281.db2.gz SMZPVVZAKAOJGV-MRXNPFEDSA-N 2 2 369.513 3.738 50 0 FHAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000028240683 571338756 /nfs/dbraw/zinc/33/87/56/571338756.db2.gz CQCLZDAMYACAEG-OAQYLSRUSA-N 2 2 360.461 3.784 50 0 FHAALP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000028240683 571338757 /nfs/dbraw/zinc/33/87/57/571338757.db2.gz CQCLZDAMYACAEG-OAQYLSRUSA-N 2 2 360.461 3.784 50 0 FHAALP Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[NH2+]CC[NH+]2CCCC2)o1 ZINC000023373331 940291135 /nfs/dbraw/zinc/29/11/35/940291135.db2.gz YQFDQBGCKYHJTK-UHFFFAOYSA-N 2 2 368.456 3.765 50 0 FHAALP Fc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)c1F ZINC000011668083 207318201 /nfs/dbraw/zinc/31/82/01/207318201.db2.gz NXXAYIWCUJDFSC-OAQYLSRUSA-N 2 2 357.448 3.848 50 0 FHAALP Fc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccnc4)C3)C2)c1F ZINC000011668083 207318206 /nfs/dbraw/zinc/31/82/06/207318206.db2.gz NXXAYIWCUJDFSC-OAQYLSRUSA-N 2 2 357.448 3.848 50 0 FHAALP Fc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1F ZINC000011668083 207318210 /nfs/dbraw/zinc/31/82/10/207318210.db2.gz NXXAYIWCUJDFSC-OAQYLSRUSA-N 2 2 357.448 3.848 50 0 FHAALP Fc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1F ZINC000011668083 207318214 /nfs/dbraw/zinc/31/82/14/207318214.db2.gz NXXAYIWCUJDFSC-OAQYLSRUSA-N 2 2 357.448 3.848 50 0 FHAALP CCn1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580049 207397033 /nfs/dbraw/zinc/39/70/33/207397033.db2.gz PMVPYKJZYQEOIK-LJQANCHMSA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580049 207397041 /nfs/dbraw/zinc/39/70/41/207397041.db2.gz PMVPYKJZYQEOIK-LJQANCHMSA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580049 207397049 /nfs/dbraw/zinc/39/70/49/207397049.db2.gz PMVPYKJZYQEOIK-LJQANCHMSA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580049 207397054 /nfs/dbraw/zinc/39/70/54/207397054.db2.gz PMVPYKJZYQEOIK-LJQANCHMSA-N 2 2 374.960 3.943 50 0 FHAALP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc2[nH+]ccn2c1 ZINC000091876738 209002012 /nfs/dbraw/zinc/00/20/12/209002012.db2.gz FNPYBDCYRLENAM-GOSISDBHSA-N 2 2 368.868 3.555 50 0 FHAALP Cc1nnc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)o1 ZINC000095378694 209038359 /nfs/dbraw/zinc/03/83/59/209038359.db2.gz ZWVSMPIPUOHUKP-LJQANCHMSA-N 2 2 366.509 3.612 50 0 FHAALP Cc1nnc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)o1 ZINC000095378694 209038363 /nfs/dbraw/zinc/03/83/63/209038363.db2.gz ZWVSMPIPUOHUKP-LJQANCHMSA-N 2 2 366.509 3.612 50 0 FHAALP Cc1ccc(NC(=O)N2CCC(c3[nH+]ccn3CCC[NH+](C)C)CC2)cc1 ZINC000095384791 209041620 /nfs/dbraw/zinc/04/16/20/209041620.db2.gz HBDFKQKLUAJIAB-UHFFFAOYSA-N 2 2 369.513 3.555 50 0 FHAALP Cc1cc(N2CCC([NH2+]CCc3ccncc3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095522118 132214295 /nfs/dbraw/zinc/21/42/95/132214295.db2.gz FXNWMMXIKPTIKP-UHFFFAOYSA-N 2 2 373.504 3.648 50 0 FHAALP COc1cccc(N2CC[NH+](C3CC[NH+](Cc4cccs4)CC3)CC2)c1 ZINC000252488299 132292419 /nfs/dbraw/zinc/29/24/19/132292419.db2.gz IORYJSCGRHIWAZ-UHFFFAOYSA-N 2 2 371.550 3.543 50 0 FHAALP Cc1ccc(NC(=O)NCCC[NH+]2CCC([NH+]3CCCCC3)CC2)c(C)c1 ZINC000020889707 525158547 /nfs/dbraw/zinc/15/85/47/525158547.db2.gz FBSJXGVOMHVVCV-UHFFFAOYSA-N 2 2 372.557 3.765 50 0 FHAALP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020907682 526314909 /nfs/dbraw/zinc/31/49/09/526314909.db2.gz APCXSKTWNJOYMZ-SFHVURJKSA-N 2 2 368.431 3.719 50 0 FHAALP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020907682 526314913 /nfs/dbraw/zinc/31/49/13/526314913.db2.gz APCXSKTWNJOYMZ-SFHVURJKSA-N 2 2 368.431 3.719 50 0 FHAALP CCc1ccc2[nH+]c(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)cc(C)c2c1 ZINC000055575477 535831533 /nfs/dbraw/zinc/83/15/33/535831533.db2.gz XOIORGKSMPLWDB-IBGZPJMESA-N 2 2 367.537 3.779 50 0 FHAALP CCc1ccc2[nH+]c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)cc(C)c2c1 ZINC000055575477 535831537 /nfs/dbraw/zinc/83/15/37/535831537.db2.gz XOIORGKSMPLWDB-IBGZPJMESA-N 2 2 367.537 3.779 50 0 FHAALP CCn1cc[nH+]c1CN(C)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000218932441 568257953 /nfs/dbraw/zinc/25/79/53/568257953.db2.gz UKQSLCCTRPYYQE-UHFFFAOYSA-N 2 2 354.498 3.551 50 0 FHAALP COc1cccc(N2CCC([NH+]3CCC(Oc4cc[nH+]cc4)CC3)CC2)c1 ZINC000584901411 570510294 /nfs/dbraw/zinc/51/02/94/570510294.db2.gz XXHIZWJRYQKXDB-UHFFFAOYSA-N 2 2 367.493 3.602 50 0 FHAALP Cc1ccc(C)c(-c2cn3c4ccccc4n(CC[NH+]4CCOCC4)c3[nH+]2)c1 ZINC000019973612 570908089 /nfs/dbraw/zinc/90/80/89/570908089.db2.gz SFQNTAADBOAGQH-UHFFFAOYSA-N 2 2 374.488 3.905 50 0 FHAALP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308817 571066653 /nfs/dbraw/zinc/06/66/53/571066653.db2.gz ZTWSFFSBFYQQQV-LSDHHAIUSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308817 571066656 /nfs/dbraw/zinc/06/66/56/571066656.db2.gz ZTWSFFSBFYQQQV-LSDHHAIUSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308817 571066659 /nfs/dbraw/zinc/06/66/59/571066659.db2.gz ZTWSFFSBFYQQQV-LSDHHAIUSA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000072308817 571066662 /nfs/dbraw/zinc/06/66/62/571066662.db2.gz ZTWSFFSBFYQQQV-LSDHHAIUSA-N 2 2 371.447 3.696 50 0 FHAALP O=C(CC[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2)C1)Nc1ccccc1Cl ZINC000084539307 571088284 /nfs/dbraw/zinc/08/82/84/571088284.db2.gz RNBGUSIGUDCJLR-GOSISDBHSA-N 2 2 371.912 3.923 50 0 FHAALP O=C(CC[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2)C1)Nc1ccccc1Cl ZINC000084539307 571088292 /nfs/dbraw/zinc/08/82/92/571088292.db2.gz RNBGUSIGUDCJLR-GOSISDBHSA-N 2 2 371.912 3.923 50 0 FHAALP Cc1ccc(F)c(NC(=O)C[NH+]2CCC(c3[nH+]ccn3C(C)C)CC2)c1 ZINC000240228141 571108906 /nfs/dbraw/zinc/10/89/06/571108906.db2.gz KGQSNOFRDCORFB-UHFFFAOYSA-N 2 2 358.461 3.730 50 0 FHAALP COc1ccc(-c2cc(NCC[NH+]3CCOCC3)c3ccccc3[nH+]2)cc1 ZINC000004542896 571131705 /nfs/dbraw/zinc/13/17/05/571131705.db2.gz LBLDTKUXWPRTDL-UHFFFAOYSA-N 2 2 363.461 3.655 50 0 FHAALP c1cn(CCC[N@H+](Cc2nc3c(s2)CCCC3)Cc2ccncc2)c[nH+]1 ZINC000063855711 571140285 /nfs/dbraw/zinc/14/02/85/571140285.db2.gz KKNJAKWZOWXALB-UHFFFAOYSA-N 2 2 367.522 3.706 50 0 FHAALP c1cn(CCC[N@@H+](Cc2nc3c(s2)CCCC3)Cc2ccncc2)c[nH+]1 ZINC000063855711 571140288 /nfs/dbraw/zinc/14/02/88/571140288.db2.gz KKNJAKWZOWXALB-UHFFFAOYSA-N 2 2 367.522 3.706 50 0 FHAALP COc1ccc2cc([C@H]3C[N@H+](CCCn4cc[nH+]c4)CCO3)ccc2c1 ZINC000071721561 571164025 /nfs/dbraw/zinc/16/40/25/571164025.db2.gz YAFYMOLLAXNPED-OAQYLSRUSA-N 2 2 351.450 3.509 50 0 FHAALP COc1ccc2cc([C@H]3C[N@@H+](CCCn4cc[nH+]c4)CCO3)ccc2c1 ZINC000071721561 571164028 /nfs/dbraw/zinc/16/40/28/571164028.db2.gz YAFYMOLLAXNPED-OAQYLSRUSA-N 2 2 351.450 3.509 50 0 FHAALP Clc1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072130950 571170952 /nfs/dbraw/zinc/17/09/52/571170952.db2.gz GYSYTPRKIQYNNH-AWEZNQCLSA-N 2 2 365.934 3.505 50 0 FHAALP Clc1nc(N2CCCC2)sc1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2)C1 ZINC000072130950 571170953 /nfs/dbraw/zinc/17/09/53/571170953.db2.gz GYSYTPRKIQYNNH-AWEZNQCLSA-N 2 2 365.934 3.505 50 0 FHAALP Fc1cccc(C[NH+]2CCN(Cc3c[nH+]c(CC4CCCC4)[nH]3)CC2)c1 ZINC000072148477 571174153 /nfs/dbraw/zinc/17/41/53/571174153.db2.gz RWNNGSIBKUUAKD-UHFFFAOYSA-N 2 2 356.489 3.599 50 0 FHAALP O=C(CCCn1cc[nH+]c1)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000299766993 571194847 /nfs/dbraw/zinc/19/48/47/571194847.db2.gz GLWLLOUTECUGPN-LJQANCHMSA-N 2 2 374.916 3.660 50 0 FHAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](C[C@@H]1CCOC(C)(C)C1)CC2 ZINC000091303882 571238726 /nfs/dbraw/zinc/23/87/26/571238726.db2.gz WYSBGGSVCUWNKC-GOSISDBHSA-N 2 2 374.573 3.564 50 0 FHAALP C[N@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000006936158 207178911 /nfs/dbraw/zinc/17/89/11/207178911.db2.gz BWOUGFHYOSCTRB-HXUWFJFHSA-N 2 2 355.457 3.532 50 0 FHAALP C[N@@H+]([C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000006936158 207178915 /nfs/dbraw/zinc/17/89/15/207178915.db2.gz BWOUGFHYOSCTRB-HXUWFJFHSA-N 2 2 355.457 3.532 50 0 FHAALP O=C(N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000012307064 207358140 /nfs/dbraw/zinc/35/81/40/207358140.db2.gz VOCQEQUWAHLBPC-QGZVFWFLSA-N 2 2 366.509 3.994 50 0 FHAALP O=C(N[C@@H]1CCC[N@H+](C2CCCCCC2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000012307064 207358145 /nfs/dbraw/zinc/35/81/45/207358145.db2.gz VOCQEQUWAHLBPC-QGZVFWFLSA-N 2 2 366.509 3.994 50 0 FHAALP Cc1c(C)n(CC[NH+]2CCOCC2)c2[nH+]c(-c3ccccc3)c(C)c(N)c12 ZINC000012323587 207361434 /nfs/dbraw/zinc/36/14/34/207361434.db2.gz PGWGOKQHQDVOFA-UHFFFAOYSA-N 2 2 364.493 3.543 50 0 FHAALP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OC(C)C ZINC000040719413 208262662 /nfs/dbraw/zinc/26/26/62/208262662.db2.gz QJNSFFPKHWTEFT-UHFFFAOYSA-N 2 2 351.878 3.902 50 0 FHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000091988306 209009222 /nfs/dbraw/zinc/00/92/22/209009222.db2.gz FELZKGYLRYBGFA-QGZVFWFLSA-N 2 2 353.445 3.607 50 0 FHAALP CCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3F)c2)C1 ZINC000091988306 209009225 /nfs/dbraw/zinc/00/92/25/209009225.db2.gz FELZKGYLRYBGFA-QGZVFWFLSA-N 2 2 353.445 3.607 50 0 FHAALP c1cn(Cc2nnc(C3CC[NH+](C4CCCCCC4)CC3)n2C2CC2)c[nH+]1 ZINC000092028984 209012936 /nfs/dbraw/zinc/01/29/36/209012936.db2.gz CLMYYTBMDVNSTI-UHFFFAOYSA-N 2 2 368.529 3.760 50 0 FHAALP Cc1[nH+]c[nH]c1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C1CC1)C2 ZINC000095389127 209045699 /nfs/dbraw/zinc/04/56/99/209045699.db2.gz SUMWUYJVFDSNJH-FQEVSTJZSA-N 3 2 364.537 3.952 50 0 FHAALP Cc1[nH+]c[nH]c1C[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095389127 209045700 /nfs/dbraw/zinc/04/57/00/209045700.db2.gz SUMWUYJVFDSNJH-FQEVSTJZSA-N 3 2 364.537 3.952 50 0 FHAALP C[N@@H+]1CCCCC[C@@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095383253 209042305 /nfs/dbraw/zinc/04/23/05/209042305.db2.gz CGNOUZJJJZKXHW-LBXVMSDZSA-N 2 2 368.525 3.827 50 0 FHAALP C[N@H+]1CCCCC[C@@H]1C(=O)NCC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095383253 209042308 /nfs/dbraw/zinc/04/23/08/209042308.db2.gz CGNOUZJJJZKXHW-LBXVMSDZSA-N 2 2 368.525 3.827 50 0 FHAALP Cc1cc(N2CCC([NH2+][C@H]3CCSC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095497273 132211781 /nfs/dbraw/zinc/21/17/81/132211781.db2.gz PRFPPMKLVAASRF-SFHVURJKSA-N 2 2 354.523 3.516 50 0 FHAALP CCC[N@@H+]1CCc2nc[nH]c2C12CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000095505249 132212496 /nfs/dbraw/zinc/21/24/96/132212496.db2.gz ZCPDZTYORJHOOI-UHFFFAOYSA-N 2 2 361.493 3.722 50 0 FHAALP CCC[N@H+]1CCc2nc[nH]c2C12CCN(c1[nH+]ccc3ccccc31)CC2 ZINC000095505249 132212497 /nfs/dbraw/zinc/21/24/97/132212497.db2.gz ZCPDZTYORJHOOI-UHFFFAOYSA-N 2 2 361.493 3.722 50 0 FHAALP OCC[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@@H+]1C1CCCC1 ZINC000072480576 136149671 /nfs/dbraw/zinc/14/96/71/136149671.db2.gz XRGFHCPHVDLLQF-QGZVFWFLSA-N 2 2 359.901 3.704 50 0 FHAALP OCC[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@H+]1C1CCCC1 ZINC000072480576 136149672 /nfs/dbraw/zinc/14/96/72/136149672.db2.gz XRGFHCPHVDLLQF-QGZVFWFLSA-N 2 2 359.901 3.704 50 0 FHAALP COc1cc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)ccc1F ZINC000072480161 136149703 /nfs/dbraw/zinc/14/97/03/136149703.db2.gz AQBHGCYAHKLZAQ-UHFFFAOYSA-N 2 2 355.457 3.864 50 0 FHAALP COc1cc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)ccc1F ZINC000072480161 136149704 /nfs/dbraw/zinc/14/97/04/136149704.db2.gz AQBHGCYAHKLZAQ-UHFFFAOYSA-N 2 2 355.457 3.864 50 0 FHAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000091382157 521882138 /nfs/dbraw/zinc/88/21/38/521882138.db2.gz WHHGPGORCGCXLJ-SJORKVTESA-N 2 2 366.571 3.696 50 0 FHAALP C[NH+](C)C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(SC3CCCCC3)o2)C1 ZINC000091382157 521882148 /nfs/dbraw/zinc/88/21/48/521882148.db2.gz WHHGPGORCGCXLJ-SJORKVTESA-N 2 2 366.571 3.696 50 0 FHAALP CCn1c(C[NH+]2CCCC2)nnc1C1CC[NH+](Cc2ccccc2C)CC1 ZINC000082109485 523189622 /nfs/dbraw/zinc/18/96/22/523189622.db2.gz XORJLKLUAMXRQX-UHFFFAOYSA-N 2 2 367.541 3.582 50 0 FHAALP CC(=O)c1cc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cs1 ZINC000072430724 534817483 /nfs/dbraw/zinc/81/74/83/534817483.db2.gz SNGOXWKYPBTMIK-UHFFFAOYSA-N 2 2 355.507 3.981 50 0 FHAALP CC(=O)c1cc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cs1 ZINC000072430724 534817491 /nfs/dbraw/zinc/81/74/91/534817491.db2.gz SNGOXWKYPBTMIK-UHFFFAOYSA-N 2 2 355.507 3.981 50 0 FHAALP CCCc1cc(C[NH2+]C2CCN(c3cc(C(C)C)[nH+]c(C)n3)CC2)on1 ZINC000095505029 535396676 /nfs/dbraw/zinc/39/66/76/535396676.db2.gz YGGGWPDSYTWHIX-UHFFFAOYSA-N 2 2 357.502 3.608 50 0 FHAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@H]2COC3(C2)CCCCC3)CC1 ZINC000095525765 535437680 /nfs/dbraw/zinc/43/76/80/535437680.db2.gz RAMWKCQBVTXHLM-HXUWFJFHSA-N 2 2 372.557 3.788 50 0 FHAALP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2c(c1)C[NH+](C)C2 ZINC000215236127 568059475 /nfs/dbraw/zinc/05/94/75/568059475.db2.gz SWJWBAOQQZAKPR-UHFFFAOYSA-N 3 2 355.551 3.921 50 0 FHAALP C[NH+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2c(c1)C[N@@H+](C)C2 ZINC000215236127 568059476 /nfs/dbraw/zinc/05/94/76/568059476.db2.gz SWJWBAOQQZAKPR-UHFFFAOYSA-N 3 2 355.551 3.921 50 0 FHAALP C[NH+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000215236127 568059477 /nfs/dbraw/zinc/05/94/77/568059477.db2.gz SWJWBAOQQZAKPR-UHFFFAOYSA-N 3 2 355.551 3.921 50 0 FHAALP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(c2[nH+]ccn2C)CC1 ZINC000215880756 568093823 /nfs/dbraw/zinc/09/38/23/568093823.db2.gz NCGJYBJEOHGHDH-UHFFFAOYSA-N 2 2 367.472 3.741 50 0 FHAALP C[C@@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)Cn1cc[nH+]c1 ZINC000062254361 570657149 /nfs/dbraw/zinc/65/71/49/570657149.db2.gz SNTAFZVJIOKIIC-INIZCTEOSA-N 2 2 370.884 3.936 50 0 FHAALP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922515 570894239 /nfs/dbraw/zinc/89/42/39/570894239.db2.gz ZTWSFFSBFYQQQV-CABCVRRESA-N 2 2 371.447 3.696 50 0 FHAALP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922515 570894242 /nfs/dbraw/zinc/89/42/42/570894242.db2.gz ZTWSFFSBFYQQQV-CABCVRRESA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922515 570894245 /nfs/dbraw/zinc/89/42/45/570894245.db2.gz ZTWSFFSBFYQQQV-CABCVRRESA-N 2 2 371.447 3.696 50 0 FHAALP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000106922515 570894247 /nfs/dbraw/zinc/89/42/47/570894247.db2.gz ZTWSFFSBFYQQQV-CABCVRRESA-N 2 2 371.447 3.696 50 0 FHAALP Clc1ccc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)cc1 ZINC000022074026 570938984 /nfs/dbraw/zinc/93/89/84/570938984.db2.gz VNLUISLWIRXBDL-UHFFFAOYSA-N 2 2 374.912 3.731 50 0 FHAALP COc1cccc([C@@H](CNc2cc(C)[nH+]c(-c3ccncc3)n2)[NH+](C)C)c1 ZINC000060112829 571136288 /nfs/dbraw/zinc/13/62/88/571136288.db2.gz FFIWYFFABUXGAY-LJQANCHMSA-N 2 2 363.465 3.570 50 0 FHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4ccc(OCCO)cc4)CC3)[nH]c21 ZINC000072121828 571170274 /nfs/dbraw/zinc/17/02/74/571170274.db2.gz VFLXCGPVTVJLHR-UHFFFAOYSA-N 2 2 365.477 3.622 50 0 FHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4ccc(OCCO)cc4)CC3)[nH+]c21 ZINC000072121828 571170278 /nfs/dbraw/zinc/17/02/78/571170278.db2.gz VFLXCGPVTVJLHR-UHFFFAOYSA-N 2 2 365.477 3.622 50 0 FHAALP C[C@@H]1CCC[N@@H+]1Cc1cc2n(n1)CCC[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131964 571171006 /nfs/dbraw/zinc/17/10/06/571171006.db2.gz UDNVRNVASRNTDN-QGZVFWFLSA-N 2 2 363.509 3.755 50 0 FHAALP C[C@@H]1CCC[N@H+]1Cc1cc2n(n1)CCC[NH+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131964 571171009 /nfs/dbraw/zinc/17/10/09/571171009.db2.gz UDNVRNVASRNTDN-QGZVFWFLSA-N 2 2 363.509 3.755 50 0 FHAALP C[C@@H]1CCC[NH+]1Cc1cc2n(n1)CCC[N@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131964 571171011 /nfs/dbraw/zinc/17/10/11/571171011.db2.gz UDNVRNVASRNTDN-QGZVFWFLSA-N 2 2 363.509 3.755 50 0 FHAALP C[C@@H]1CCC[NH+]1Cc1cc2n(n1)CCC[N@@H+](Cc1ccc3[nH]ccc3c1)C2 ZINC000072131964 571171014 /nfs/dbraw/zinc/17/10/14/571171014.db2.gz UDNVRNVASRNTDN-QGZVFWFLSA-N 2 2 363.509 3.755 50 0 FHAALP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cccc2cnccc21 ZINC000072432943 571195943 /nfs/dbraw/zinc/19/59/43/571195943.db2.gz QFBNBJKCDCCQBE-UHFFFAOYSA-N 2 2 361.489 3.699 50 0 FHAALP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)Cc1cccc2cnccc21 ZINC000072432943 571195946 /nfs/dbraw/zinc/19/59/46/571195946.db2.gz QFBNBJKCDCCQBE-UHFFFAOYSA-N 2 2 361.489 3.699 50 0 FHAALP Cc1c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCOCC2)[nH]c2ccc(F)cc12 ZINC000077436768 571211553 /nfs/dbraw/zinc/21/15/53/571211553.db2.gz KFWPSMLGOJKHFY-GOSISDBHSA-N 2 2 359.489 3.692 50 0 FHAALP Cc1c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCOCC2)[nH]c2ccc(F)cc12 ZINC000077436768 571211554 /nfs/dbraw/zinc/21/15/54/571211554.db2.gz KFWPSMLGOJKHFY-GOSISDBHSA-N 2 2 359.489 3.692 50 0 FHAALP c1coc([C@@H](Cn2cc[nH+]c2-c2ccc3c(c2)OCO3)[NH+]2CCCC2)c1 ZINC000077452006 571211971 /nfs/dbraw/zinc/21/19/71/571211971.db2.gz POWLNKCOWMIIQH-MRXNPFEDSA-N 2 2 351.406 3.709 50 0 FHAALP COc1ccc(-c2[nH+]ccn2C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1C ZINC000077470784 571212833 /nfs/dbraw/zinc/21/28/33/571212833.db2.gz ORHYJRRJLHJAFW-IBGZPJMESA-N 2 2 369.509 3.991 50 0 FHAALP CCc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CC[NH+](C)CC3)c2c1 ZINC000021158454 571333296 /nfs/dbraw/zinc/33/32/96/571333296.db2.gz BAUYYMWTFKLFGP-UHFFFAOYSA-N 2 2 359.473 3.780 50 0 FHAALP CC(C)Oc1cccc([C@H](O)C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000291059695 933875793 /nfs/dbraw/zinc/87/57/93/933875793.db2.gz CUZQXOMRBPKHED-GOSISDBHSA-N 2 2 374.447 3.514 50 0 FHAALP CCCCc1[nH]c(C[N@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c[nH+]1 ZINC000015078292 211121544 /nfs/dbraw/zinc/12/15/44/211121544.db2.gz MCJMJEXXBKJKQU-UHFFFAOYSA-N 3 2 358.530 3.998 50 0 FHAALP CCCCc1[nH]c(C[N@@H+](C)CC2CC[NH+](Cc3ccc(C)o3)CC2)c[nH+]1 ZINC000015078292 211121547 /nfs/dbraw/zinc/12/15/47/211121547.db2.gz MCJMJEXXBKJKQU-UHFFFAOYSA-N 3 2 358.530 3.998 50 0 FHAALP Clc1ccccc1CNc1[nH+]c2ccccc2n1CC[NH+]1CCOCC1 ZINC000000809674 210274386 /nfs/dbraw/zinc/27/43/86/210274386.db2.gz LKCJWEWZAHJSNM-UHFFFAOYSA-N 2 2 370.884 3.634 50 0 FHAALP C[C@@H](c1cccc(-c2ccc(C[NH+]3CCOCC3)cn2)c1)[NH+]1CCCC1 ZINC000065386724 221208847 /nfs/dbraw/zinc/20/88/47/221208847.db2.gz OIAFEQUVAXVFJF-SFHVURJKSA-N 2 2 351.494 3.738 50 0 FHAALP Cc1cc(N2CC[NH+](Cc3ccncc3Cl)CC2)c2ccccc2[nH+]1 ZINC000065454691 221219777 /nfs/dbraw/zinc/21/97/77/221219777.db2.gz VDCYVHBZJUULLE-UHFFFAOYSA-N 2 2 352.869 3.914 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000067894553 221302298 /nfs/dbraw/zinc/30/22/98/221302298.db2.gz RUJUFUTWXSIMGW-CQSZACIVSA-N 2 2 358.869 3.517 50 0 FHAALP Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000067894553 221302301 /nfs/dbraw/zinc/30/23/01/221302301.db2.gz RUJUFUTWXSIMGW-CQSZACIVSA-N 2 2 358.869 3.517 50 0 FHAALP c1cn(Cc2ccccn2)c(C2CCN(c3ccc4c([nH+]3)CCCC4)CC2)[nH+]1 ZINC000091965213 132204945 /nfs/dbraw/zinc/20/49/45/132204945.db2.gz FSAPHAKADJEWDV-UHFFFAOYSA-N 2 2 373.504 3.984 50 0 FHAALP Cc1cc(N2CCC([NH2+][C@@H]3CCSC3)CC2)nc(-c2ccccc2)[nH+]1 ZINC000095497272 132211754 /nfs/dbraw/zinc/21/17/54/132211754.db2.gz PRFPPMKLVAASRF-GOSISDBHSA-N 2 2 354.523 3.516 50 0 FHAALP COCCn1cc[nH+]c1[C@H]1CCCN(c2cc(C)c3ccc(F)cc3[nH+]2)C1 ZINC000095497755 132211839 /nfs/dbraw/zinc/21/18/39/132211839.db2.gz LUCAGOZAQKZIEB-INIZCTEOSA-N 2 2 368.456 3.909 50 0 FHAALP CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(C)n2)C1 ZINC000072147757 136142721 /nfs/dbraw/zinc/14/27/21/136142721.db2.gz IJMFOXUAILVGLP-LJQANCHMSA-N 2 2 353.514 3.794 50 0 FHAALP CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(c2cc(C(C)C)[nH+]c(C)n2)C1 ZINC000072147757 136142722 /nfs/dbraw/zinc/14/27/22/136142722.db2.gz IJMFOXUAILVGLP-LJQANCHMSA-N 2 2 353.514 3.794 50 0 FHAALP Cc1ccc([C@H](CNC(=O)Nc2ccc(-n3cc[nH+]c3C)cc2)[NH+](C)C)o1 ZINC000096131121 222036269 /nfs/dbraw/zinc/03/62/69/222036269.db2.gz PNEGDYWIQXGXIC-SFHVURJKSA-N 2 2 367.453 3.507 50 0 FHAALP CCCCc1[nH]c(CN(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000019794600 521292189 /nfs/dbraw/zinc/29/21/89/521292189.db2.gz BHPGGHYAAXHTDP-OAQYLSRUSA-N 2 2 366.553 3.816 50 0 FHAALP CCCCc1[nH]c(CN(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000019794600 521292195 /nfs/dbraw/zinc/29/21/95/521292195.db2.gz BHPGGHYAAXHTDP-OAQYLSRUSA-N 2 2 366.553 3.816 50 0 FHAALP CCCCc1[nH]cc(CN(C)[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019794600 521292201 /nfs/dbraw/zinc/29/22/01/521292201.db2.gz BHPGGHYAAXHTDP-OAQYLSRUSA-N 2 2 366.553 3.816 50 0 FHAALP CCCCc1[nH]cc(CN(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000019794600 521292208 /nfs/dbraw/zinc/29/22/08/521292208.db2.gz BHPGGHYAAXHTDP-OAQYLSRUSA-N 2 2 366.553 3.816 50 0 FHAALP COc1cc(SC)c(OC)cc1C[NH+]1CCC(Cn2cc[nH+]c2)CC1 ZINC000215394725 568067956 /nfs/dbraw/zinc/06/79/56/568067956.db2.gz OMCCIHRUPLHIDH-UHFFFAOYSA-N 2 2 361.511 3.534 50 0 FHAALP Cn1cc[nH+]c1C1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000215753509 568087266 /nfs/dbraw/zinc/08/72/66/568087266.db2.gz DHXGUUCIVZFMAX-UHFFFAOYSA-N 2 2 362.477 3.774 50 0 FHAALP Cc1ccc(NC(=O)N2CCC[C@@H](c3[nH+]ccn3CCC[NH+](C)C)C2)cc1 ZINC000095370589 570456328 /nfs/dbraw/zinc/45/63/28/570456328.db2.gz PSVLNRJXIYWFPT-GOSISDBHSA-N 2 2 369.513 3.555 50 0 FHAALP c1cn(Cc2cscn2)c([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000095372853 570456878 /nfs/dbraw/zinc/45/68/78/570456878.db2.gz MZZZOCUHUFDVPR-QGZVFWFLSA-N 2 2 368.506 3.646 50 0 FHAALP c1cn(Cc2cscn2)c([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000095372853 570456879 /nfs/dbraw/zinc/45/68/79/570456879.db2.gz MZZZOCUHUFDVPR-QGZVFWFLSA-N 2 2 368.506 3.646 50 0 FHAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccc(C)cc1 ZINC000010314119 570699744 /nfs/dbraw/zinc/69/97/44/570699744.db2.gz CKQXWNAVLSKJAP-UHFFFAOYSA-N 2 2 365.477 3.959 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012317578 570736304 /nfs/dbraw/zinc/73/63/04/570736304.db2.gz HODIZAQZJBNWDG-LJQANCHMSA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012317578 570736306 /nfs/dbraw/zinc/73/63/06/570736306.db2.gz HODIZAQZJBNWDG-LJQANCHMSA-N 2 2 374.960 3.943 50 0 FHAALP Cc1cc(C)n(-c2cccc(C[NH+]3CCC([NH+]4CCSCC4)CC3)c2)n1 ZINC000244816912 571117767 /nfs/dbraw/zinc/11/77/67/571117767.db2.gz SQYPCCAVCFXAGN-UHFFFAOYSA-N 2 2 370.566 3.502 50 0 FHAALP Fc1cccc(CN2CC[NH+](Cc3cc(C[NH+]4CCCC4)cs3)CC2)c1 ZINC000072158299 571175443 /nfs/dbraw/zinc/17/54/43/571175443.db2.gz DDBHDLORJAXBOF-UHFFFAOYSA-N 2 2 373.541 3.801 50 0 FHAALP Fc1cccc(C[NH+]2CCN(Cc3cc(C[NH+]4CCCC4)cs3)CC2)c1 ZINC000072158299 571175445 /nfs/dbraw/zinc/17/54/45/571175445.db2.gz DDBHDLORJAXBOF-UHFFFAOYSA-N 2 2 373.541 3.801 50 0 FHAALP C[C@@H](c1ccc(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)o1)[NH+]1CCCCC1 ZINC000072424368 571194011 /nfs/dbraw/zinc/19/40/11/571194011.db2.gz MQWCRXGWKFPKFA-HNNXBMFYSA-N 2 2 356.470 3.569 50 0 FHAALP C(c1nnc(C2CC[NH+](C3CCCCC3)CC2)n1C1CC1)[NH+]1CCCC1 ZINC000077420640 571210760 /nfs/dbraw/zinc/21/07/60/571210760.db2.gz VTYJHZDZAGYZEH-UHFFFAOYSA-N 2 2 357.546 3.721 50 0 FHAALP Cc1c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCOCC2)[nH]c2ccc(F)cc12 ZINC000077436770 571211372 /nfs/dbraw/zinc/21/13/72/571211372.db2.gz KFWPSMLGOJKHFY-SFHVURJKSA-N 2 2 359.489 3.692 50 0 FHAALP Cc1c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCOCC2)[nH]c2ccc(F)cc12 ZINC000077436770 571211375 /nfs/dbraw/zinc/21/13/75/571211375.db2.gz KFWPSMLGOJKHFY-SFHVURJKSA-N 2 2 359.489 3.692 50 0 FHAALP Cc1cccc(-c2ncc(C[NH2+]CCc3[nH]c4c(cccc4C)[nH+]3)cn2)c1 ZINC000055107624 571319946 /nfs/dbraw/zinc/31/99/46/571319946.db2.gz VQTYOGBUMGLKNM-UHFFFAOYSA-N 2 2 357.461 3.969 50 0 FHAALP Cc1cccc(-c2ncc(C[NH2+]CCc3[nH]c4cccc(C)c4[nH+]3)cn2)c1 ZINC000055107624 571319947 /nfs/dbraw/zinc/31/99/47/571319947.db2.gz VQTYOGBUMGLKNM-UHFFFAOYSA-N 2 2 357.461 3.969 50 0 FHAALP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000289183241 929771674 /nfs/dbraw/zinc/77/16/74/929771674.db2.gz IMAQAPGVQUHUBK-KRWDZBQOSA-N 2 2 352.413 3.501 50 0 FHAALP CC(C)(CO)[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000291091773 934044400 /nfs/dbraw/zinc/04/44/00/934044400.db2.gz HVZDQEMPIKMJOG-SFHVURJKSA-N 2 2 372.475 3.795 50 0 FHAALP O=C(N[C@H]1CCC[N@@H+](C2CCCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023506523 940489857 /nfs/dbraw/zinc/48/98/57/940489857.db2.gz SWFVJFZEARBBFO-IBGZPJMESA-N 2 2 366.509 3.789 50 0 FHAALP O=C(N[C@H]1CCC[N@H+](C2CCCCCC2)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000023506523 940489858 /nfs/dbraw/zinc/48/98/58/940489858.db2.gz SWFVJFZEARBBFO-IBGZPJMESA-N 2 2 366.509 3.789 50 0 FHAALP c1cn(CCC[N@H+](Cc2cccnc2)Cc2cnc3ccccc3c2)c[nH+]1 ZINC000063870085 212036142 /nfs/dbraw/zinc/03/61/42/212036142.db2.gz KTZRNEUOMSAKQM-UHFFFAOYSA-N 2 2 357.461 3.919 50 0 FHAALP c1cn(CCC[N@@H+](Cc2cccnc2)Cc2cnc3ccccc3c2)c[nH+]1 ZINC000063870085 212036143 /nfs/dbraw/zinc/03/61/43/212036143.db2.gz KTZRNEUOMSAKQM-UHFFFAOYSA-N 2 2 357.461 3.919 50 0 FHAALP COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](C4CC[NH+](C)CC4)C3)ccc2c1 ZINC000020542497 211284846 /nfs/dbraw/zinc/28/48/46/211284846.db2.gz JZQWKURKZYIBFG-HXUWFJFHSA-N 2 2 366.505 3.837 50 0 FHAALP COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](C4CC[NH+](C)CC4)C3)ccc2c1 ZINC000020542497 211284850 /nfs/dbraw/zinc/28/48/50/211284850.db2.gz JZQWKURKZYIBFG-HXUWFJFHSA-N 2 2 366.505 3.837 50 0 FHAALP C[C@H](c1cccc(-c2ccc(C[NH+]3CCOCC3)cn2)c1)[NH+]1CCCC1 ZINC000065386725 221208406 /nfs/dbraw/zinc/20/84/06/221208406.db2.gz OIAFEQUVAXVFJF-GOSISDBHSA-N 2 2 351.494 3.738 50 0 FHAALP C[NH+](C)Cc1cncc(Oc2cc(F)c(C[NH+]3CCCC3)c(Cl)c2)n1 ZINC000067459719 221255804 /nfs/dbraw/zinc/25/58/04/221255804.db2.gz RCVJFKPAZWJAHJ-UHFFFAOYSA-N 2 2 364.852 3.719 50 0 FHAALP FC(F)(F)c1cccc2c(N3CC[NH+](C4CCOCC4)CC3)cc[nH+]c21 ZINC000067954433 221308133 /nfs/dbraw/zinc/30/81/33/221308133.db2.gz MRNDJHGNFLVILT-UHFFFAOYSA-N 2 2 365.399 3.555 50 0 FHAALP Cc1[nH+]ccn1CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071745345 221357753 /nfs/dbraw/zinc/35/77/53/221357753.db2.gz WKLOKGGELGBBDD-NRFANRHFSA-N 2 2 358.505 3.563 50 0 FHAALP Cc1[nH+]ccn1CC[N@H+]1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071745345 221357755 /nfs/dbraw/zinc/35/77/55/221357755.db2.gz WKLOKGGELGBBDD-NRFANRHFSA-N 2 2 358.505 3.563 50 0 FHAALP Cc1[nH+]ccn1CCN1CCC[N@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071745345 221357758 /nfs/dbraw/zinc/35/77/58/221357758.db2.gz WKLOKGGELGBBDD-NRFANRHFSA-N 2 2 358.505 3.563 50 0 FHAALP Cc1[nH+]ccn1CCN1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071745345 221357760 /nfs/dbraw/zinc/35/77/60/221357760.db2.gz WKLOKGGELGBBDD-NRFANRHFSA-N 2 2 358.505 3.563 50 0 FHAALP c1cn(Cc2cccnc2)c(C2CCN(c3ccc4c([nH+]3)CCCC4)CC2)[nH+]1 ZINC000092076968 132206156 /nfs/dbraw/zinc/20/61/56/132206156.db2.gz YKCPZIKGTPKCHT-UHFFFAOYSA-N 2 2 373.504 3.984 50 0 FHAALP Cc1cc(N2CCC([N@@H+]3CCOC4(CCCC4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000095511061 132213210 /nfs/dbraw/zinc/21/32/10/132213210.db2.gz AHQBWDUXTSGILE-UHFFFAOYSA-N 2 2 358.530 3.522 50 0 FHAALP Cc1cc(N2CCC([N@H+]3CCOC4(CCCC4)C3)CC2)nc(C(C)C)[nH+]1 ZINC000095511061 132213212 /nfs/dbraw/zinc/21/32/12/132213212.db2.gz AHQBWDUXTSGILE-UHFFFAOYSA-N 2 2 358.530 3.522 50 0 FHAALP COc1cc(C[N@@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc(OC)c1 ZINC000072412484 136145663 /nfs/dbraw/zinc/14/56/63/136145663.db2.gz ATMNXTXDDIUXAI-UHFFFAOYSA-N 2 2 367.493 3.734 50 0 FHAALP COc1cc(C[N@H+]2CCCC23CCN(c2cccc[nH+]2)CC3)cc(OC)c1 ZINC000072412484 136145664 /nfs/dbraw/zinc/14/56/64/136145664.db2.gz ATMNXTXDDIUXAI-UHFFFAOYSA-N 2 2 367.493 3.734 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000097137600 222162994 /nfs/dbraw/zinc/16/29/94/222162994.db2.gz HWKFXASQIQMSSC-INIZCTEOSA-N 2 2 352.526 3.817 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000097137600 222162997 /nfs/dbraw/zinc/16/29/97/222162997.db2.gz HWKFXASQIQMSSC-INIZCTEOSA-N 2 2 352.526 3.817 50 0 FHAALP Cc1cc(C[NH+]2CCC[C@H](C)C2)c(C)c(C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000097137600 222162999 /nfs/dbraw/zinc/16/29/99/222162999.db2.gz HWKFXASQIQMSSC-INIZCTEOSA-N 2 2 352.526 3.817 50 0 FHAALP Cc1cc(C[NH+]2CCC[C@H](C)C2)c(C)c(C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000097137600 222163001 /nfs/dbraw/zinc/16/30/01/222163001.db2.gz HWKFXASQIQMSSC-INIZCTEOSA-N 2 2 352.526 3.817 50 0 FHAALP OC1(Cn2cc[nH+]c2)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1 ZINC000097393970 222178998 /nfs/dbraw/zinc/17/89/98/222178998.db2.gz BSOLSUJUDHJVBX-UHFFFAOYSA-N 2 2 361.489 3.542 50 0 FHAALP Cc1ccccc1-c1ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)cc1 ZINC000097594744 222195414 /nfs/dbraw/zinc/19/54/14/222195414.db2.gz WESHMJIEHLQMDK-UHFFFAOYSA-N 2 2 361.489 3.886 50 0 FHAALP CCCN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000269188390 521443874 /nfs/dbraw/zinc/44/38/74/521443874.db2.gz VGXVTMYRDOGUCR-HNNXBMFYSA-N 2 2 359.857 3.741 50 0 FHAALP CCn1cc[nH+]c1CNCC1([N@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000020454774 523540307 /nfs/dbraw/zinc/54/03/07/523540307.db2.gz VLENPOAVHVTJCG-UHFFFAOYSA-N 2 2 374.532 3.662 50 0 FHAALP CCn1cc[nH+]c1CNCC1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000020454774 523540315 /nfs/dbraw/zinc/54/03/15/523540315.db2.gz VLENPOAVHVTJCG-UHFFFAOYSA-N 2 2 374.532 3.662 50 0 FHAALP CCc1ccc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)cc1 ZINC000082160513 523924446 /nfs/dbraw/zinc/92/44/46/523924446.db2.gz YIPFRHHDQRUBBW-UHFFFAOYSA-N 2 2 367.541 3.617 50 0 FHAALP Cc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540114 524660928 /nfs/dbraw/zinc/66/09/28/524660928.db2.gz XOFVQPHGUHVHDA-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540114 524660939 /nfs/dbraw/zinc/66/09/39/524660939.db2.gz XOFVQPHGUHVHDA-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540114 524660947 /nfs/dbraw/zinc/66/09/47/524660947.db2.gz XOFVQPHGUHVHDA-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000020540114 524660950 /nfs/dbraw/zinc/66/09/50/524660950.db2.gz XOFVQPHGUHVHDA-SFHVURJKSA-N 2 2 360.933 3.758 50 0 FHAALP Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)on1 ZINC000215625583 568080560 /nfs/dbraw/zinc/08/05/60/568080560.db2.gz WLYIAJXZFQLMAM-HXUWFJFHSA-N 2 2 366.465 3.986 50 0 FHAALP Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)on1 ZINC000215625583 568080561 /nfs/dbraw/zinc/08/05/61/568080561.db2.gz WLYIAJXZFQLMAM-HXUWFJFHSA-N 2 2 366.465 3.986 50 0 FHAALP Cc1ccc2[nH]c(CCn3cc(C4CC[NH+](C(C)C)CC4)nn3)[nH+]c2c1C ZINC000091951246 570443570 /nfs/dbraw/zinc/44/35/70/570443570.db2.gz CCKUFMRUPLZKAP-UHFFFAOYSA-N 2 2 366.513 3.602 50 0 FHAALP Cc1ccc2[nH+]c(CCn3cc(C4CC[NH+](C(C)C)CC4)nn3)[nH]c2c1C ZINC000091951246 570443571 /nfs/dbraw/zinc/44/35/71/570443571.db2.gz CCKUFMRUPLZKAP-UHFFFAOYSA-N 2 2 366.513 3.602 50 0 FHAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccc(F)cc1 ZINC000010314008 570699728 /nfs/dbraw/zinc/69/97/28/570699728.db2.gz OKINFDJBUFVLRP-UHFFFAOYSA-N 2 2 369.440 3.790 50 0 FHAALP C[N@@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011753777 570706141 /nfs/dbraw/zinc/70/61/41/570706141.db2.gz LALRHJZHMCQVQM-IBGZPJMESA-N 2 2 356.485 3.918 50 0 FHAALP C[N@H+](Cc1cccc(O)c1)C[C@@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011753777 570706143 /nfs/dbraw/zinc/70/61/43/570706143.db2.gz LALRHJZHMCQVQM-IBGZPJMESA-N 2 2 356.485 3.918 50 0 FHAALP C[NH+](Cc1cccc(O)c1)C[C@@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011753777 570706145 /nfs/dbraw/zinc/70/61/45/570706145.db2.gz LALRHJZHMCQVQM-IBGZPJMESA-N 2 2 356.485 3.918 50 0 FHAALP C[NH+](Cc1cccc(O)c1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011753777 570706146 /nfs/dbraw/zinc/70/61/46/570706146.db2.gz LALRHJZHMCQVQM-IBGZPJMESA-N 2 2 356.485 3.918 50 0 FHAALP CC[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3-c2cc(F)cc(F)c2)CC1 ZINC000012582971 570751515 /nfs/dbraw/zinc/75/15/15/570751515.db2.gz ROZHUEILHBWQBM-LJQANCHMSA-N 2 2 360.452 3.602 50 0 FHAALP Cc1cc(N2CC[NH+](C3CC3)CC2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000072286874 571041778 /nfs/dbraw/zinc/04/17/78/571041778.db2.gz YVAPYIVGQFESFA-UHFFFAOYSA-N 2 2 351.372 3.726 50 0 FHAALP c1cn(CCC[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccccc2)c[nH+]1 ZINC000039997022 571067366 /nfs/dbraw/zinc/06/73/66/571067366.db2.gz AJQKQCJJGVTYEA-UHFFFAOYSA-N 2 2 357.461 3.916 50 0 FHAALP CC(C)COc1ccccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000072313445 571107221 /nfs/dbraw/zinc/10/72/21/571107221.db2.gz FWVREBZTPJUEIR-OYRHEFFESA-N 2 2 373.585 3.712 50 0 FHAALP CC(C)COc1ccccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000072313445 571107224 /nfs/dbraw/zinc/10/72/24/571107224.db2.gz FWVREBZTPJUEIR-OYRHEFFESA-N 2 2 373.585 3.712 50 0 FHAALP C[N@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc(Oc2ccccc2)cc1 ZINC000072124024 571170411 /nfs/dbraw/zinc/17/04/11/571170411.db2.gz YXFOTOSFDKFPIE-UHFFFAOYSA-N 2 2 362.477 3.801 50 0 FHAALP C[N@@H+](Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc(Oc2ccccc2)cc1 ZINC000072124024 571170412 /nfs/dbraw/zinc/17/04/12/571170412.db2.gz YXFOTOSFDKFPIE-UHFFFAOYSA-N 2 2 362.477 3.801 50 0 FHAALP Cc1cccc(C[NH+]2CCN(Cc3c[nH+]c(CC4CCCC4)[nH]3)CC2)c1 ZINC000072146743 571173743 /nfs/dbraw/zinc/17/37/43/571173743.db2.gz DCHRIMWNDRYWGJ-UHFFFAOYSA-N 2 2 352.526 3.769 50 0 FHAALP Cc1cccc(C[NH+]2CCN(Cc3c[nH]c(CC4CCCC4)[nH+]3)CC2)c1 ZINC000072146743 571173746 /nfs/dbraw/zinc/17/37/46/571173746.db2.gz DCHRIMWNDRYWGJ-UHFFFAOYSA-N 2 2 352.526 3.769 50 0 FHAALP CCc1[nH+]c2cc(NC(=O)c3ccccc3[C@@H]3CC[NH2+]C3)ccc2n1CC ZINC000072168905 571177389 /nfs/dbraw/zinc/17/73/89/571177389.db2.gz ADNUGCJYERYVGA-OAHLLOKOSA-N 2 2 362.477 3.948 50 0 FHAALP CCc1[nH+]c2cc(NC(=O)c3ccccc3[C@H]3CC[NH2+]C3)ccc2n1CC ZINC000072168906 571177471 /nfs/dbraw/zinc/17/74/71/571177471.db2.gz ADNUGCJYERYVGA-HNNXBMFYSA-N 2 2 362.477 3.948 50 0 FHAALP Fc1ccc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000072425303 571194289 /nfs/dbraw/zinc/19/42/89/571194289.db2.gz FKSXZCPKPBRWIY-UHFFFAOYSA-N 2 2 364.468 3.719 50 0 FHAALP Fc1ccc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000072425303 571194291 /nfs/dbraw/zinc/19/42/91/571194291.db2.gz FKSXZCPKPBRWIY-UHFFFAOYSA-N 2 2 364.468 3.719 50 0 FHAALP CCCCN1CCc2[nH+]c[nH]c2C12CC[NH+](C[C@H]1CCOC(C)(C)C1)CC2 ZINC000091303884 571238784 /nfs/dbraw/zinc/23/87/84/571238784.db2.gz WYSBGGSVCUWNKC-SFHVURJKSA-N 2 2 374.573 3.564 50 0 FHAALP C[N@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1cnc2ccccc2n1 ZINC000670455877 571354141 /nfs/dbraw/zinc/35/41/41/571354141.db2.gz QRDQHTQFZIHCRR-UHFFFAOYSA-N 2 2 352.507 3.919 50 0 FHAALP C[N@@H+](Cc1cc(C[NH+]2CCCC2)cs1)Cc1cnc2ccccc2n1 ZINC000670455877 571354142 /nfs/dbraw/zinc/35/41/42/571354142.db2.gz QRDQHTQFZIHCRR-UHFFFAOYSA-N 2 2 352.507 3.919 50 0 FHAALP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187124788 941078639 /nfs/dbraw/zinc/07/86/39/941078639.db2.gz SMNGGLORGHLGTE-SFHVURJKSA-N 2 2 357.473 3.573 50 0 FHAALP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187124788 941078641 /nfs/dbraw/zinc/07/86/41/941078641.db2.gz SMNGGLORGHLGTE-SFHVURJKSA-N 2 2 357.473 3.573 50 0 FHAALP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187124788 941078643 /nfs/dbraw/zinc/07/86/43/941078643.db2.gz SMNGGLORGHLGTE-SFHVURJKSA-N 2 2 357.473 3.573 50 0 FHAALP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3F)nc2)C1 ZINC000187124788 941078645 /nfs/dbraw/zinc/07/86/45/941078645.db2.gz SMNGGLORGHLGTE-SFHVURJKSA-N 2 2 357.473 3.573 50 0 FHAALP Cc1ncsc1C[NH+]1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000257185898 942584228 /nfs/dbraw/zinc/58/42/28/942584228.db2.gz JYFZTLLGZLSDQV-UHFFFAOYSA-N 2 2 352.507 3.570 50 0 FHAALP COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CC[NH+](Cc2ccc(C)o2)CC1 ZINC000257195051 942681529 /nfs/dbraw/zinc/68/15/29/942681529.db2.gz VGWQSLIMPMDODI-UHFFFAOYSA-N 2 2 365.477 3.715 50 0 FHAALP COc1cc(C[N@H+](C)C2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000004987777 947796502 /nfs/dbraw/zinc/79/65/02/947796502.db2.gz AIFVSAUCNVSQOG-UHFFFAOYSA-N 2 2 354.494 3.800 50 0 FHAALP COc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000004987777 947796504 /nfs/dbraw/zinc/79/65/04/947796504.db2.gz AIFVSAUCNVSQOG-UHFFFAOYSA-N 2 2 354.494 3.800 50 0 FHAALP Cc1[nH+]ccn1CC1CC[NH+](Cc2nc(C)cc(-c3ccccc3)n2)CC1 ZINC000299799663 210041165 /nfs/dbraw/zinc/04/11/65/210041165.db2.gz UMTNBXYDGHXKCS-UHFFFAOYSA-N 2 2 361.493 3.869 50 0 FHAALP c1cn(CCCc2nc([C@H]3C[C@@H](c4ccccc4)[N@@H+]4CCC[C@H]34)no2)c[nH+]1 ZINC000299789304 210032063 /nfs/dbraw/zinc/03/20/63/210032063.db2.gz YVAQHUYCKRBRNL-OTWHNJEPSA-N 2 2 363.465 3.592 50 0 FHAALP c1cn(CCCc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c[nH+]1 ZINC000299789304 210032068 /nfs/dbraw/zinc/03/20/68/210032068.db2.gz YVAQHUYCKRBRNL-OTWHNJEPSA-N 2 2 363.465 3.592 50 0 FHAALP C[C@@H](c1ccc(C(=O)N(C)Cc2c[nH+]c3ccccn23)o1)[NH+]1CCCCC1 ZINC000299755441 210008593 /nfs/dbraw/zinc/00/85/93/210008593.db2.gz CYXLECVWJIYQCG-INIZCTEOSA-N 2 2 366.465 3.746 50 0 FHAALP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710026 220020111 /nfs/dbraw/zinc/02/01/11/220020111.db2.gz ZOOMWBZDPDNZNF-GOSISDBHSA-N 2 2 356.432 3.640 50 0 FHAALP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710026 220020112 /nfs/dbraw/zinc/02/01/12/220020112.db2.gz ZOOMWBZDPDNZNF-GOSISDBHSA-N 2 2 356.432 3.640 50 0 FHAALP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710026 220020114 /nfs/dbraw/zinc/02/01/14/220020114.db2.gz ZOOMWBZDPDNZNF-GOSISDBHSA-N 2 2 356.432 3.640 50 0 FHAALP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710026 220020116 /nfs/dbraw/zinc/02/01/16/220020116.db2.gz ZOOMWBZDPDNZNF-GOSISDBHSA-N 2 2 356.432 3.640 50 0 FHAALP CN(CCC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375214 211386314 /nfs/dbraw/zinc/38/63/14/211386314.db2.gz KMPNDMNCMHGXMJ-GOSISDBHSA-N 2 2 357.464 3.553 50 0 FHAALP CN(CCC[NH+](C)C)[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375214 211386316 /nfs/dbraw/zinc/38/63/16/211386316.db2.gz KMPNDMNCMHGXMJ-GOSISDBHSA-N 2 2 357.464 3.553 50 0 FHAALP C[NH+](C)CCC[N@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375214 211386304 /nfs/dbraw/zinc/38/63/04/211386304.db2.gz KMPNDMNCMHGXMJ-GOSISDBHSA-N 2 2 357.464 3.553 50 0 FHAALP C[NH+](C)CCC[N@@H+](C)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1 ZINC000023375214 211386310 /nfs/dbraw/zinc/38/63/10/211386310.db2.gz KMPNDMNCMHGXMJ-GOSISDBHSA-N 2 2 357.464 3.553 50 0 FHAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccccc1OC ZINC000000809661 210274499 /nfs/dbraw/zinc/27/44/99/210274499.db2.gz LHPFQLMOIOZQRZ-UHFFFAOYSA-N 2 2 352.482 3.999 50 0 FHAALP C[C@H](CC[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1)[NH+]1CCCC1 ZINC000067431854 221252841 /nfs/dbraw/zinc/25/28/41/221252841.db2.gz GWWOCTNSUPUOJT-GOSISDBHSA-N 2 2 363.509 3.703 50 0 FHAALP C[C@H](CC[N@@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1)[NH+]1CCCC1 ZINC000067431854 221252845 /nfs/dbraw/zinc/25/28/45/221252845.db2.gz GWWOCTNSUPUOJT-GOSISDBHSA-N 2 2 363.509 3.703 50 0 FHAALP Cc1ccc2[nH+]c(CCCNc3nc(CC[NH3+])nc4ccccc43)[nH]c2c1C ZINC000067725939 221278223 /nfs/dbraw/zinc/27/82/23/221278223.db2.gz SDWYUPVMGDGNKT-UHFFFAOYSA-N 2 2 374.492 3.669 50 0 FHAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCn2cc[nH+]c2C)CCO3)s1 ZINC000067691363 221272338 /nfs/dbraw/zinc/27/23/38/221272338.db2.gz JNOJSRYFRXOPGA-UHFFFAOYSA-N 2 2 369.490 3.829 50 0 FHAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CCn2cc[nH+]c2C)CCO3)s1 ZINC000067691363 221272340 /nfs/dbraw/zinc/27/23/40/221272340.db2.gz JNOJSRYFRXOPGA-UHFFFAOYSA-N 2 2 369.490 3.829 50 0 FHAALP CC(C)[NH+]1CCC([N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)CC1 ZINC000067772246 221282947 /nfs/dbraw/zinc/28/29/47/221282947.db2.gz ZPDLSPNIIQDGRY-UHFFFAOYSA-N 2 2 367.493 3.521 50 0 FHAALP CC(C)[NH+]1CCC([N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)CC1 ZINC000067772246 221282949 /nfs/dbraw/zinc/28/29/49/221282949.db2.gz ZPDLSPNIIQDGRY-UHFFFAOYSA-N 2 2 367.493 3.521 50 0 FHAALP [NH3+]C[C@H]1Cc2cc(-c3ccccc3OCCn3cc[nH+]c3)cc(Cl)c2O1 ZINC000067872912 221299555 /nfs/dbraw/zinc/29/95/55/221299555.db2.gz ASUQQQYMFIJMEZ-MRXNPFEDSA-N 2 2 369.852 3.545 50 0 FHAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCO3)s1 ZINC000067967399 221310223 /nfs/dbraw/zinc/31/02/23/221310223.db2.gz XGDJYIZQZZKAHX-OAHLLOKOSA-N 2 2 358.507 3.623 50 0 FHAALP Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](C[C@@H]2CCC[NH2+]C2)CCO3)s1 ZINC000067967399 221310226 /nfs/dbraw/zinc/31/02/26/221310226.db2.gz XGDJYIZQZZKAHX-OAHLLOKOSA-N 2 2 358.507 3.623 50 0 FHAALP CC(C)c1cccc(N2CC[NH+](Cc3cccc4nsnc43)CC2)[nH+]1 ZINC000067654561 136137284 /nfs/dbraw/zinc/13/72/84/136137284.db2.gz HDFYJWJDRFEOCU-UHFFFAOYSA-N 2 2 353.495 3.532 50 0 FHAALP C[NH+](C)Cc1nnc(C2CC[NH+](C/C=C/c3ccccc3)CC2)n1C1CC1 ZINC000096161055 222060348 /nfs/dbraw/zinc/06/03/48/222060348.db2.gz LGBROXZGNNPMSD-RMKNXTFCSA-N 2 2 365.525 3.567 50 0 FHAALP CC(C)n1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC000097602567 222196815 /nfs/dbraw/zinc/19/68/15/222196815.db2.gz ZBHDWUZLVJUXAX-KRWDZBQOSA-N 2 2 370.497 3.673 50 0 FHAALP C[C@@H](c1ccc(-c2cc(N3CCCC3)nc(N)[nH+]2)cc1)[NH+]1CCCCC1 ZINC000426726914 263663944 /nfs/dbraw/zinc/66/39/44/263663944.db2.gz QILRHKGZJCMVJZ-INIZCTEOSA-N 2 2 351.498 3.703 50 0 FHAALP c1cn(-c2ccc(CN3CC[NH+]([C@H]4CCc5ccccc5C4)CC3)cc2)c[nH+]1 ZINC000215889755 568094203 /nfs/dbraw/zinc/09/42/03/568094203.db2.gz YBOLLIBHFHEGPP-DEOSSOPVSA-N 2 2 372.516 3.547 50 0 FHAALP CCn1c(Cn2cc[nH+]c2)nnc1C1CC[NH+](CCCC2CCCC2)CC1 ZINC000091893443 570441936 /nfs/dbraw/zinc/44/19/36/570441936.db2.gz NAPAAJJMEXSBOK-UHFFFAOYSA-N 2 2 370.545 3.693 50 0 FHAALP COc1cccc(C[NH+]2CCC(c3[nH+]ccn3Cc3cscn3)CC2)c1 ZINC000091965400 570443530 /nfs/dbraw/zinc/44/35/30/570443530.db2.gz NWPCDXVCYPSKQQ-UHFFFAOYSA-N 2 2 368.506 3.776 50 0 FHAALP CCC[NH+]1CCC(Cc2noc(Cn3cc[nH+]c3-c3ccccc3)n2)CC1 ZINC000095352788 570452066 /nfs/dbraw/zinc/45/20/66/570452066.db2.gz QBHOVQCLZPEPSG-UHFFFAOYSA-N 2 2 365.481 3.646 50 0 FHAALP Cc1[nH+]c2cc(CNC(=O)C3CC[NH+](C4CCCCC4)CC3)ccc2n1C ZINC000095384717 570459685 /nfs/dbraw/zinc/45/96/85/570459685.db2.gz FIHDGQCSTWDTCS-UHFFFAOYSA-N 2 2 368.525 3.543 50 0 FHAALP CCC[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1[nH+]ccn1C ZINC000095384937 570460217 /nfs/dbraw/zinc/46/02/17/570460217.db2.gz CLECBDICSHWARQ-IBGZPJMESA-N 2 2 354.498 3.677 50 0 FHAALP Cc1noc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C2CC2)C3)n1 ZINC000095500287 570462765 /nfs/dbraw/zinc/46/27/65/570462765.db2.gz MFJWWAHZJBDFBL-LJQANCHMSA-N 2 2 366.509 3.612 50 0 FHAALP Cc1noc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C2CC2)C3)n1 ZINC000095500287 570462767 /nfs/dbraw/zinc/46/27/67/570462767.db2.gz MFJWWAHZJBDFBL-LJQANCHMSA-N 2 2 366.509 3.612 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000095518756 570466835 /nfs/dbraw/zinc/46/68/35/570466835.db2.gz STPORBDPVVFKFT-LJQANCHMSA-N 2 2 360.546 3.511 50 0 FHAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCCc1ccccc1 ZINC000010314112 570699707 /nfs/dbraw/zinc/69/97/07/570699707.db2.gz IETVJFWXQJOFHT-UHFFFAOYSA-N 2 2 365.477 3.693 50 0 FHAALP C[N@@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011753778 570706315 /nfs/dbraw/zinc/70/63/15/570706315.db2.gz LALRHJZHMCQVQM-LJQANCHMSA-N 2 2 356.485 3.918 50 0 FHAALP C[N@H+](Cc1cccc(O)c1)C[C@H]1CCC[NH+](CCc2ccccc2F)C1 ZINC000011753778 570706319 /nfs/dbraw/zinc/70/63/19/570706319.db2.gz LALRHJZHMCQVQM-LJQANCHMSA-N 2 2 356.485 3.918 50 0 FHAALP C[NH+](Cc1cccc(O)c1)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000011753778 570706323 /nfs/dbraw/zinc/70/63/23/570706323.db2.gz LALRHJZHMCQVQM-LJQANCHMSA-N 2 2 356.485 3.918 50 0 FHAALP C[NH+](Cc1cccc(O)c1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000011753778 570706325 /nfs/dbraw/zinc/70/63/25/570706325.db2.gz LALRHJZHMCQVQM-LJQANCHMSA-N 2 2 356.485 3.918 50 0 FHAALP COc1ccc(-c2n[nH]cc2C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)c1 ZINC000011935827 570711794 /nfs/dbraw/zinc/71/17/94/570711794.db2.gz ZQZGXBKPXAZIOI-GOSISDBHSA-N 2 2 371.460 3.625 50 0 FHAALP CC[N@@H+](Cc1[nH]cnc1C)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011935766 570712055 /nfs/dbraw/zinc/71/20/55/570712055.db2.gz XNQOHQOMPRDFNJ-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP CC[N@H+](Cc1[nH]cnc1C)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011935766 570712057 /nfs/dbraw/zinc/71/20/57/570712057.db2.gz XNQOHQOMPRDFNJ-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1[nH]cnc1C)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011935766 570712060 /nfs/dbraw/zinc/71/20/60/570712060.db2.gz XNQOHQOMPRDFNJ-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1[nH]cnc1C)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011935766 570712063 /nfs/dbraw/zinc/71/20/63/570712063.db2.gz XNQOHQOMPRDFNJ-FQEVSTJZSA-N 2 2 370.541 3.503 50 0 FHAALP Cc1ccc2cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)c(Cl)nc2c1C ZINC000072308464 571065502 /nfs/dbraw/zinc/06/55/02/571065502.db2.gz HHTYVPVWRQTSHJ-UHFFFAOYSA-N 2 2 374.960 3.574 50 0 FHAALP Cc1ccc2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)c(Cl)nc2c1C ZINC000072308464 571065504 /nfs/dbraw/zinc/06/55/04/571065504.db2.gz HHTYVPVWRQTSHJ-UHFFFAOYSA-N 2 2 374.960 3.574 50 0 FHAALP c1cn(CCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccccc2)c[nH+]1 ZINC000039942238 571066665 /nfs/dbraw/zinc/06/66/65/571066665.db2.gz RITMMDUKMUNLLW-UHFFFAOYSA-N 2 2 371.488 3.975 50 0 FHAALP CC[NH+](CC)Cc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(C)o1 ZINC000252510287 571133754 /nfs/dbraw/zinc/13/37/54/571133754.db2.gz ZGFPKICWZOISPC-UHFFFAOYSA-N 2 2 366.465 3.546 50 0 FHAALP c1csc(C[N@H+]2CCCN(Cc3c[nH+]c(CC4CCCC4)[nH]3)CC2)c1 ZINC000072419046 571192639 /nfs/dbraw/zinc/19/26/39/571192639.db2.gz FNUUTFRLEJUPKQ-UHFFFAOYSA-N 2 2 358.555 3.912 50 0 FHAALP c1csc(C[N@@H+]2CCCN(Cc3c[nH+]c(CC4CCCC4)[nH]3)CC2)c1 ZINC000072419046 571192640 /nfs/dbraw/zinc/19/26/40/571192640.db2.gz FNUUTFRLEJUPKQ-UHFFFAOYSA-N 2 2 358.555 3.912 50 0 FHAALP c1csc(C[N@H+]2CCCN(Cc3c[nH]c(CC4CCCC4)[nH+]3)CC2)c1 ZINC000072419046 571192641 /nfs/dbraw/zinc/19/26/41/571192641.db2.gz FNUUTFRLEJUPKQ-UHFFFAOYSA-N 2 2 358.555 3.912 50 0 FHAALP c1csc(C[N@@H+]2CCCN(Cc3c[nH]c(CC4CCCC4)[nH+]3)CC2)c1 ZINC000072419046 571192642 /nfs/dbraw/zinc/19/26/42/571192642.db2.gz FNUUTFRLEJUPKQ-UHFFFAOYSA-N 2 2 358.555 3.912 50 0 FHAALP Cc1cc(N[C@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccccc2)[nH+]1 ZINC000072468485 571198268 /nfs/dbraw/zinc/19/82/68/571198268.db2.gz BNLIAIBJTPNEJN-FQEVSTJZSA-N 2 2 359.477 3.924 50 0 FHAALP Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccccc2)[nH+]1 ZINC000072468485 571198271 /nfs/dbraw/zinc/19/82/71/571198271.db2.gz BNLIAIBJTPNEJN-FQEVSTJZSA-N 2 2 359.477 3.924 50 0 FHAALP c1coc([C@H](Cn2cc[nH+]c2-c2ccc3c(c2)OCO3)[NH+]2CCCC2)c1 ZINC000077452007 571212069 /nfs/dbraw/zinc/21/20/69/571212069.db2.gz POWLNKCOWMIIQH-INIZCTEOSA-N 2 2 351.406 3.709 50 0 FHAALP O=C(NCCn1cc[nH+]c1)c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000426360501 571215321 /nfs/dbraw/zinc/21/53/21/571215321.db2.gz WRBLABWNMNKRAQ-UHFFFAOYSA-N 2 2 374.488 3.576 50 0 FHAALP C[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3noc(C4CC4)n3)CC2)C1 ZINC000091518809 571240399 /nfs/dbraw/zinc/24/03/99/571240399.db2.gz VNFDJYFTINRQPV-LJQANCHMSA-N 2 2 366.509 3.649 50 0 FHAALP C[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](Cc3noc(C4CC4)n3)CC2)C1 ZINC000091518809 571240401 /nfs/dbraw/zinc/24/04/01/571240401.db2.gz VNFDJYFTINRQPV-LJQANCHMSA-N 2 2 366.509 3.649 50 0 FHAALP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000095986441 571333482 /nfs/dbraw/zinc/33/34/82/571333482.db2.gz NKLNROKCUHYQHU-IRLDBZIGSA-N 2 2 372.553 3.795 50 0 FHAALP Cc1ccc(OC2C[NH+](Cc3ccc(OCCn4cc[nH+]c4)cc3)C2)cc1 ZINC000670433955 571346104 /nfs/dbraw/zinc/34/61/04/571346104.db2.gz UWOVQQGLDPMCOB-UHFFFAOYSA-N 2 2 363.461 3.534 50 0 FHAALP Cc1c[nH]c(CN(C)C(=O)Nc2cccc(C[N@@H+]3CCCC[C@H]3C)c2)[nH+]1 ZINC000299788444 210031847 /nfs/dbraw/zinc/03/18/47/210031847.db2.gz SNLIPFIQHGZWFP-MRXNPFEDSA-N 2 2 355.486 3.756 50 0 FHAALP Cc1c[nH]c(CN(C)C(=O)Nc2cccc(C[N@H+]3CCCC[C@H]3C)c2)[nH+]1 ZINC000299788444 210031844 /nfs/dbraw/zinc/03/18/44/210031844.db2.gz SNLIPFIQHGZWFP-MRXNPFEDSA-N 2 2 355.486 3.756 50 0 FHAALP CCn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708620 220020209 /nfs/dbraw/zinc/02/02/09/220020209.db2.gz WHAVWWFEBFCHHI-QFIPXVFZSA-N 2 2 370.516 3.839 50 0 FHAALP CCn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708620 220020213 /nfs/dbraw/zinc/02/02/13/220020213.db2.gz WHAVWWFEBFCHHI-QFIPXVFZSA-N 2 2 370.516 3.839 50 0 FHAALP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708620 220020217 /nfs/dbraw/zinc/02/02/17/220020217.db2.gz WHAVWWFEBFCHHI-QFIPXVFZSA-N 2 2 370.516 3.839 50 0 FHAALP CCn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708620 220020218 /nfs/dbraw/zinc/02/02/18/220020218.db2.gz WHAVWWFEBFCHHI-QFIPXVFZSA-N 2 2 370.516 3.839 50 0 FHAALP Clc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000000809668 210274874 /nfs/dbraw/zinc/27/48/74/210274874.db2.gz PMAXIAMBXKWCPW-UHFFFAOYSA-N 2 2 370.884 3.634 50 0 FHAALP C[NH+](C)CCOc1ccccc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071419052 221347486 /nfs/dbraw/zinc/34/74/86/221347486.db2.gz NNQKWNJRSXZAQI-NRFANRHFSA-N 2 2 374.912 3.854 50 0 FHAALP C[NH+](C)CCOc1ccccc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071419052 221347489 /nfs/dbraw/zinc/34/74/89/221347489.db2.gz NNQKWNJRSXZAQI-NRFANRHFSA-N 2 2 374.912 3.854 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000095521165 132213878 /nfs/dbraw/zinc/21/38/78/132213878.db2.gz BLOMYRPYDFMMKH-LJQANCHMSA-N 3 2 363.509 3.767 50 0 FHAALP Cc1ccnc(C[NH2+]C2CCN(c3cc(C)[nH+]c(-c4ccccc4)n3)CC2)c1 ZINC000096164264 132221565 /nfs/dbraw/zinc/22/15/65/132221565.db2.gz HTKDVNSAOHODMF-UHFFFAOYSA-N 2 2 373.504 3.914 50 0 FHAALP CC(C)c1nnc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)o1 ZINC000082155974 519886558 /nfs/dbraw/zinc/88/65/58/519886558.db2.gz ZVRMVNDVQPITCB-SFHVURJKSA-N 2 2 365.481 3.817 50 0 FHAALP CC(C)c1nnc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)o1 ZINC000082155974 519886560 /nfs/dbraw/zinc/88/65/60/519886560.db2.gz ZVRMVNDVQPITCB-SFHVURJKSA-N 2 2 365.481 3.817 50 0 FHAALP Fc1cccc(C[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000019789526 526387555 /nfs/dbraw/zinc/38/75/55/526387555.db2.gz GBMBNLSJJQQZHQ-UHFFFAOYSA-N 2 2 367.512 3.608 50 0 FHAALP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019852736 527334788 /nfs/dbraw/zinc/33/47/88/527334788.db2.gz XAFYLTJHCCSKRP-SFHVURJKSA-N 2 2 368.912 3.513 50 0 FHAALP CCCc1c[nH+]c(C)nc1N1CCC([NH2+][C@@H]2COC3(C2)CCCCC3)CC1 ZINC000095525766 535437423 /nfs/dbraw/zinc/43/74/23/535437423.db2.gz RAMWKCQBVTXHLM-FQEVSTJZSA-N 2 2 372.557 3.788 50 0 FHAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+][C@H](c2cccc(C)n2)C2CC2)CC1 ZINC000096140970 536019794 /nfs/dbraw/zinc/01/97/94/536019794.db2.gz XSYZFSQWFQTTSW-NRFANRHFSA-N 2 2 365.525 3.761 50 0 FHAALP Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)on1 ZINC000215625536 568080606 /nfs/dbraw/zinc/08/06/06/568080606.db2.gz WLYIAJXZFQLMAM-FQEVSTJZSA-N 2 2 366.465 3.986 50 0 FHAALP Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCCCn3cc[nH+]c3)c2)on1 ZINC000215625536 568080607 /nfs/dbraw/zinc/08/06/07/568080607.db2.gz WLYIAJXZFQLMAM-FQEVSTJZSA-N 2 2 366.465 3.986 50 0 FHAALP COc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095371419 570455979 /nfs/dbraw/zinc/45/59/79/570455979.db2.gz GJBJSOVVHHKRKB-KRWDZBQOSA-N 2 2 368.506 3.776 50 0 FHAALP COc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095371419 570455983 /nfs/dbraw/zinc/45/59/83/570455983.db2.gz GJBJSOVVHHKRKB-KRWDZBQOSA-N 2 2 368.506 3.776 50 0 FHAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1c(C)c(C)n2-c1cccnc1 ZINC000005350619 570648860 /nfs/dbraw/zinc/64/88/60/570648860.db2.gz FZMYYIOKRSUBSJ-UHFFFAOYSA-N 2 2 352.486 3.576 50 0 FHAALP COc1cc(Cl)cc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1 ZINC000010435609 570700827 /nfs/dbraw/zinc/70/08/27/570700827.db2.gz JYRKGOUPWURWCK-UHFFFAOYSA-N 2 2 362.901 3.969 50 0 FHAALP CN(C)[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000032735868 570790681 /nfs/dbraw/zinc/79/06/81/570790681.db2.gz REMOQXIWHIZBOE-HXUWFJFHSA-N 2 2 354.885 3.918 50 0 FHAALP CCN(CC)c1ccc2[nH]c(C)c(C[N@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008717382 571057156 /nfs/dbraw/zinc/05/71/56/571057156.db2.gz YYIJTQMHJOTATD-UHFFFAOYSA-N 2 2 370.541 3.621 50 0 FHAALP CCN(CC)c1ccc2[nH]c(C)c(C[N@@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008717382 571057158 /nfs/dbraw/zinc/05/71/58/571057158.db2.gz YYIJTQMHJOTATD-UHFFFAOYSA-N 2 2 370.541 3.621 50 0 FHAALP c1cn(C[C@H]2CCC[N@@H+](Cc3cccc(OCc4ccccn4)c3)C2)c[nH+]1 ZINC000072141768 571172134 /nfs/dbraw/zinc/17/21/34/571172134.db2.gz IDVBGUKGIHSSRQ-FQEVSTJZSA-N 2 2 362.477 3.769 50 0 FHAALP c1cn(C[C@H]2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)C2)c[nH+]1 ZINC000072141768 571172136 /nfs/dbraw/zinc/17/21/36/571172136.db2.gz IDVBGUKGIHSSRQ-FQEVSTJZSA-N 2 2 362.477 3.769 50 0 FHAALP C[NH+]1CCC(N(Cc2c[nH+]c(CC3CCCC3)[nH]2)Cc2cccnc2)CC1 ZINC000072154153 571174796 /nfs/dbraw/zinc/17/47/96/571174796.db2.gz XZGVXNKRWMFYAP-UHFFFAOYSA-N 2 2 367.541 3.634 50 0 FHAALP C[NH+]1CCC(N(Cc2c[nH]c(CC3CCCC3)[nH+]2)Cc2cccnc2)CC1 ZINC000072154153 571174798 /nfs/dbraw/zinc/17/47/98/571174798.db2.gz XZGVXNKRWMFYAP-UHFFFAOYSA-N 2 2 367.541 3.634 50 0 FHAALP Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000075567654 571200972 /nfs/dbraw/zinc/20/09/72/571200972.db2.gz CTEWOXDULQGQGG-UHFFFAOYSA-N 2 2 374.532 3.698 50 0 FHAALP Cc1ccc2c(c1)c1c(n2CCc2ccccn2)CC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000075567654 571200976 /nfs/dbraw/zinc/20/09/76/571200976.db2.gz CTEWOXDULQGQGG-UHFFFAOYSA-N 2 2 374.532 3.698 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000095435783 571329590 /nfs/dbraw/zinc/32/95/90/571329590.db2.gz VMSJZEUHXMUBOJ-MJGOQNOKSA-N 2 2 354.494 3.847 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000095435783 571329591 /nfs/dbraw/zinc/32/95/91/571329591.db2.gz VMSJZEUHXMUBOJ-MJGOQNOKSA-N 2 2 354.494 3.847 50 0 FHAALP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nc(-c2cccnc2)no1 ZINC000096007199 571333806 /nfs/dbraw/zinc/33/38/06/571333806.db2.gz KQEAFUDTBMLIGI-GJZGRUSLSA-N 2 2 360.421 3.729 50 0 FHAALP C[C@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)Cc2ccccc2O1 ZINC000299784796 210026302 /nfs/dbraw/zinc/02/63/02/210026302.db2.gz UUXLRHOTCARBJH-IBGZPJMESA-N 2 2 350.506 3.977 50 0 FHAALP C[C@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)Cc2ccccc2O1 ZINC000299784796 210026309 /nfs/dbraw/zinc/02/63/09/210026309.db2.gz UUXLRHOTCARBJH-IBGZPJMESA-N 2 2 350.506 3.977 50 0 FHAALP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020907678 211299127 /nfs/dbraw/zinc/29/91/27/211299127.db2.gz APCXSKTWNJOYMZ-GOSISDBHSA-N 2 2 368.431 3.719 50 0 FHAALP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000020907678 211299131 /nfs/dbraw/zinc/29/91/31/211299131.db2.gz APCXSKTWNJOYMZ-GOSISDBHSA-N 2 2 368.431 3.719 50 0 FHAALP CC(C)Nc1cc[nH+]c(NCc2ccc[nH+]c2N2CCc3ccccc3C2)n1 ZINC000067773465 221285009 /nfs/dbraw/zinc/28/50/09/221285009.db2.gz OQVNKJSHNFCFPA-UHFFFAOYSA-N 2 2 374.492 3.867 50 0 FHAALP Fc1cccc(-c2nnc(C[N@@H+]3CCCC[C@H]3CC[NH+]3CCCC3)o2)c1 ZINC000072156269 221434456 /nfs/dbraw/zinc/43/44/56/221434456.db2.gz WEMFKCPWJYUBRU-SFHVURJKSA-N 2 2 358.461 3.716 50 0 FHAALP Fc1cccc(-c2nnc(C[N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)o2)c1 ZINC000072156269 221434457 /nfs/dbraw/zinc/43/44/57/221434457.db2.gz WEMFKCPWJYUBRU-SFHVURJKSA-N 2 2 358.461 3.716 50 0 FHAALP O[C@@H]1CCCN(c2[nH+]cccc2CNc2cc[nH+]c3cc(Cl)ccc23)C1 ZINC000067677148 136137455 /nfs/dbraw/zinc/13/74/55/136137455.db2.gz MUIBZCKOEZRZPD-MRXNPFEDSA-N 2 2 368.868 3.856 50 0 FHAALP O=C(NC1CC[NH+](Cc2cccs2)CC1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097631898 222200254 /nfs/dbraw/zinc/20/02/54/222200254.db2.gz JQOGDPOFIAKHIU-UHFFFAOYSA-N 2 2 366.490 3.533 50 0 FHAALP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000097729552 222206885 /nfs/dbraw/zinc/20/68/85/222206885.db2.gz UHHYJXDORMYOFC-HNNXBMFYSA-N 2 2 355.873 3.839 50 0 FHAALP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000097729552 222206889 /nfs/dbraw/zinc/20/68/89/222206889.db2.gz UHHYJXDORMYOFC-HNNXBMFYSA-N 2 2 355.873 3.839 50 0 FHAALP C[NH+](C)Cc1csc(CN2CCC[N@@H+](Cc3cccc(F)c3)CC2)c1 ZINC000219043806 568263469 /nfs/dbraw/zinc/26/34/69/568263469.db2.gz DNXMTAHYMQAJOW-UHFFFAOYSA-N 2 2 361.530 3.657 50 0 FHAALP Cc1nnc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C2CC2)C3)o1 ZINC000095378693 570458245 /nfs/dbraw/zinc/45/82/45/570458245.db2.gz ZWVSMPIPUOHUKP-IBGZPJMESA-N 2 2 366.509 3.612 50 0 FHAALP Cc1nnc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C2CC2)C3)o1 ZINC000095378693 570458250 /nfs/dbraw/zinc/45/82/50/570458250.db2.gz ZWVSMPIPUOHUKP-IBGZPJMESA-N 2 2 366.509 3.612 50 0 FHAALP Fc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000048750936 570515253 /nfs/dbraw/zinc/51/52/53/570515253.db2.gz OCPYOJOBXHKWOO-UHFFFAOYSA-N 2 2 370.468 3.741 50 0 FHAALP CCc1[nH]c(C[NH+]2CCC(CCC(=O)Nc3ccccc3)CC2)c(C)[nH+]1 ZINC000011817929 570707604 /nfs/dbraw/zinc/70/76/04/570707604.db2.gz CQXDZDLPVZVXQG-UHFFFAOYSA-N 2 2 354.498 3.911 50 0 FHAALP Cc1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)s1 ZINC000012593392 570752610 /nfs/dbraw/zinc/75/26/10/570752610.db2.gz GMRGUEKLTPMTNE-QGZVFWFLSA-N 2 2 361.530 3.977 50 0 FHAALP Cc1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3F)C2)s1 ZINC000012593392 570752614 /nfs/dbraw/zinc/75/26/14/570752614.db2.gz GMRGUEKLTPMTNE-QGZVFWFLSA-N 2 2 361.530 3.977 50 0 FHAALP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)s1 ZINC000012593392 570752620 /nfs/dbraw/zinc/75/26/20/570752620.db2.gz GMRGUEKLTPMTNE-QGZVFWFLSA-N 2 2 361.530 3.977 50 0 FHAALP Cc1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)s1 ZINC000012593392 570752624 /nfs/dbraw/zinc/75/26/24/570752624.db2.gz GMRGUEKLTPMTNE-QGZVFWFLSA-N 2 2 361.530 3.977 50 0 FHAALP Fc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000020058106 570909548 /nfs/dbraw/zinc/90/95/48/570909548.db2.gz BXXXUHPRKTUHJD-UHFFFAOYSA-N 2 2 353.485 3.612 50 0 FHAALP CC(C)c1nnsc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000244602009 571113777 /nfs/dbraw/zinc/11/37/77/571113777.db2.gz DVZVJGBFXYVQBM-CQSZACIVSA-N 2 2 355.511 3.993 50 0 FHAALP CC(C)c1nnsc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000244602009 571113779 /nfs/dbraw/zinc/11/37/79/571113779.db2.gz DVZVJGBFXYVQBM-CQSZACIVSA-N 2 2 355.511 3.993 50 0 FHAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC4CCC4)C3)C2)c1OC ZINC000072145525 571172854 /nfs/dbraw/zinc/17/28/54/571172854.db2.gz WIUMHUIGLWQYTB-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC4CCC4)C3)C2)c1OC ZINC000072145525 571172856 /nfs/dbraw/zinc/17/28/56/571172856.db2.gz WIUMHUIGLWQYTB-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC4CCC4)C3)C2)c1OC ZINC000072145525 571172858 /nfs/dbraw/zinc/17/28/58/571172858.db2.gz WIUMHUIGLWQYTB-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)c1OC ZINC000072145525 571172861 /nfs/dbraw/zinc/17/28/61/571172861.db2.gz WIUMHUIGLWQYTB-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP [NH3+][C@@H]1CCCC[N@H+](Cc2cc(-c3ccccc3OC(F)(F)F)no2)C1 ZINC000082087908 571227863 /nfs/dbraw/zinc/22/78/63/571227863.db2.gz DVTBXKNHMFETPS-GFCCVEGCSA-N 2 2 355.360 3.553 50 0 FHAALP [NH3+][C@@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3OC(F)(F)F)no2)C1 ZINC000082087908 571227864 /nfs/dbraw/zinc/22/78/64/571227864.db2.gz DVTBXKNHMFETPS-GFCCVEGCSA-N 2 2 355.360 3.553 50 0 FHAALP C[C@@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000584891620 571314617 /nfs/dbraw/zinc/31/46/17/571314617.db2.gz SIEYIJFXZOUBIY-MRXNPFEDSA-N 2 2 368.456 3.920 50 0 FHAALP C[C@H]([NH2+]C1CC[NH+](Cc2ccco2)CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000584891619 571314725 /nfs/dbraw/zinc/31/47/25/571314725.db2.gz SIEYIJFXZOUBIY-INIZCTEOSA-N 2 2 368.456 3.920 50 0 FHAALP Clc1c[nH+]ccc1N1CC[NH+](CCCc2nc3ccccc3o2)CC1 ZINC000119218662 947942704 /nfs/dbraw/zinc/94/27/04/947942704.db2.gz KPUDZXUPZQSYDL-UHFFFAOYSA-N 2 2 356.857 3.631 50 0 FHAALP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)Cc2ccccc2O1 ZINC000299784809 210027441 /nfs/dbraw/zinc/02/74/41/210027441.db2.gz UUXLRHOTCARBJH-LJQANCHMSA-N 2 2 350.506 3.977 50 0 FHAALP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccccc3)CC2)Cc2ccccc2O1 ZINC000299784809 210027445 /nfs/dbraw/zinc/02/74/45/210027445.db2.gz UUXLRHOTCARBJH-LJQANCHMSA-N 2 2 350.506 3.977 50 0 FHAALP [NH3+]C[C@@H]1Cc2cc(-c3ccccc3OCCn3cc[nH+]c3)cc(Cl)c2O1 ZINC000067872911 221299742 /nfs/dbraw/zinc/29/97/42/221299742.db2.gz ASUQQQYMFIJMEZ-INIZCTEOSA-N 2 2 369.852 3.545 50 0 FHAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CCO2 ZINC000067935019 221306360 /nfs/dbraw/zinc/30/63/60/221306360.db2.gz DHHAPQORICPUNE-QGZVFWFLSA-N 2 2 352.478 3.562 50 0 FHAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]C1)CCO2 ZINC000067935019 221306361 /nfs/dbraw/zinc/30/63/61/221306361.db2.gz DHHAPQORICPUNE-QGZVFWFLSA-N 2 2 352.478 3.562 50 0 FHAALP Cc1ccc(OC[C@@H]2CCCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)C2)cc1 ZINC000077555687 132189344 /nfs/dbraw/zinc/18/93/44/132189344.db2.gz NDIQBOMKTDMZHD-HXUWFJFHSA-N 2 2 362.477 3.930 50 0 FHAALP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000092078081 132206149 /nfs/dbraw/zinc/20/61/49/132206149.db2.gz BMGIBFMPTBNGRV-HXUWFJFHSA-N 2 2 350.510 3.881 50 0 FHAALP CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(c3cc(C)[nH+]cn3)CC2)C1 ZINC000092078081 132206150 /nfs/dbraw/zinc/20/61/50/132206150.db2.gz BMGIBFMPTBNGRV-HXUWFJFHSA-N 2 2 350.510 3.881 50 0 FHAALP c1cn(Cc2ccccn2)c([C@@H]2CCCN(c3ccc4c([nH+]3)CCCC4)C2)[nH+]1 ZINC000095526461 132214649 /nfs/dbraw/zinc/21/46/49/132214649.db2.gz UIFOYFHQGZMTPB-LJQANCHMSA-N 2 2 373.504 3.984 50 0 FHAALP OCC[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@@H+]1C1CCCC1 ZINC000107012066 132240641 /nfs/dbraw/zinc/24/06/41/132240641.db2.gz XRGFHCPHVDLLQF-KRWDZBQOSA-N 2 2 359.901 3.704 50 0 FHAALP OCC[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@H+]1C1CCCC1 ZINC000107012066 132240643 /nfs/dbraw/zinc/24/06/43/132240643.db2.gz XRGFHCPHVDLLQF-KRWDZBQOSA-N 2 2 359.901 3.704 50 0 FHAALP CC[NH+](CC)CCn1c2ccccc2n(CCOc2cccc(C)c2)c1=[NH2+] ZINC000020069478 520714674 /nfs/dbraw/zinc/71/46/74/520714674.db2.gz SOXMEMQOMZSBGL-UHFFFAOYSA-N 2 2 366.509 3.651 50 0 FHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000091625389 522138844 /nfs/dbraw/zinc/13/88/44/522138844.db2.gz ZGJVWZFPDDPODT-AWEZNQCLSA-N 2 2 351.853 3.702 50 0 FHAALP COCCn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000091625389 522138855 /nfs/dbraw/zinc/13/88/55/522138855.db2.gz ZGJVWZFPDDPODT-AWEZNQCLSA-N 2 2 351.853 3.702 50 0 FHAALP CCc1cc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)on1 ZINC000082116290 523787728 /nfs/dbraw/zinc/78/77/28/523787728.db2.gz YGKIVVPQMYQTAI-SFHVURJKSA-N 2 2 350.466 3.861 50 0 FHAALP CCc1cc(C[N@H+]2CCC[C@H](c3[nH+]ccn3Cc3ccccc3)C2)on1 ZINC000082116290 523787734 /nfs/dbraw/zinc/78/77/34/523787734.db2.gz YGKIVVPQMYQTAI-SFHVURJKSA-N 2 2 350.466 3.861 50 0 FHAALP COc1ccnc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082108996 524830749 /nfs/dbraw/zinc/83/07/49/524830749.db2.gz CTTAXGPQFJKIPP-LJQANCHMSA-N 2 2 362.477 3.715 50 0 FHAALP COc1ccnc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)c1 ZINC000082108996 524830761 /nfs/dbraw/zinc/83/07/61/524830761.db2.gz CTTAXGPQFJKIPP-LJQANCHMSA-N 2 2 362.477 3.715 50 0 FHAALP C[N@H+](Cc1cnc(SCc2ccccc2)nc1)C[C@@]1(C)CC[NH+](C)C1 ZINC000215025583 568042962 /nfs/dbraw/zinc/04/29/62/568042962.db2.gz MNMXPAVBHXIYPT-FQEVSTJZSA-N 2 2 356.539 3.543 50 0 FHAALP C[N@@H+](Cc1cnc(SCc2ccccc2)nc1)C[C@@]1(C)CC[NH+](C)C1 ZINC000215025583 568042963 /nfs/dbraw/zinc/04/29/63/568042963.db2.gz MNMXPAVBHXIYPT-FQEVSTJZSA-N 2 2 356.539 3.543 50 0 FHAALP C[NH+](Cc1cnc(SCc2ccccc2)nc1)C[C@@]1(C)CC[N@H+](C)C1 ZINC000215025583 568042964 /nfs/dbraw/zinc/04/29/64/568042964.db2.gz MNMXPAVBHXIYPT-FQEVSTJZSA-N 2 2 356.539 3.543 50 0 FHAALP C[NH+](Cc1cnc(SCc2ccccc2)nc1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000215025583 568042965 /nfs/dbraw/zinc/04/29/65/568042965.db2.gz MNMXPAVBHXIYPT-FQEVSTJZSA-N 2 2 356.539 3.543 50 0 FHAALP COc1cccc(C[NH+]2CCC(F)(F)CC2)c1OCCCn1cc[nH+]c1 ZINC000216259894 568115153 /nfs/dbraw/zinc/11/51/53/568115153.db2.gz ZQRDCPORSVIDMZ-UHFFFAOYSA-N 2 2 365.424 3.592 50 0 FHAALP Cc1ncsc1C[NH+]1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000092080980 570447008 /nfs/dbraw/zinc/44/70/08/570447008.db2.gz AUKUWKIBKYBPDU-UHFFFAOYSA-N 2 2 359.524 3.532 50 0 FHAALP c1cnn(Cc2cccc(C[NH+]3C[C@H]4CC[C@H](C[N@H+]4CC4CCC4)C3)c2)c1 ZINC000095353215 570452255 /nfs/dbraw/zinc/45/22/55/570452255.db2.gz JMXATODNIXUNQZ-XZOQPEGZSA-N 2 2 364.537 3.628 50 0 FHAALP c1cnn(Cc2cccc(C[NH+]3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)c2)c1 ZINC000095353215 570452259 /nfs/dbraw/zinc/45/22/59/570452259.db2.gz JMXATODNIXUNQZ-XZOQPEGZSA-N 2 2 364.537 3.628 50 0 FHAALP c1cnn(Cc2cccc(C[N@H+]3C[C@H]4CC[C@H](C[NH+]4CC4CCC4)C3)c2)c1 ZINC000095353215 570452260 /nfs/dbraw/zinc/45/22/60/570452260.db2.gz JMXATODNIXUNQZ-XZOQPEGZSA-N 2 2 364.537 3.628 50 0 FHAALP c1cnn(Cc2cccc(C[N@@H+]3C[C@H]4CC[C@H](C[NH+]4CC4CCC4)C3)c2)c1 ZINC000095353215 570452263 /nfs/dbraw/zinc/45/22/63/570452263.db2.gz JMXATODNIXUNQZ-XZOQPEGZSA-N 2 2 364.537 3.628 50 0 FHAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512143 570465657 /nfs/dbraw/zinc/46/56/57/570465657.db2.gz LZCGGYBNHZMWCC-FQEVSTJZSA-N 2 2 371.525 3.687 50 0 FHAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512143 570465662 /nfs/dbraw/zinc/46/56/62/570465662.db2.gz LZCGGYBNHZMWCC-FQEVSTJZSA-N 2 2 371.525 3.687 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512143 570465665 /nfs/dbraw/zinc/46/56/65/570465665.db2.gz LZCGGYBNHZMWCC-FQEVSTJZSA-N 2 2 371.525 3.687 50 0 FHAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3c(C)noc3C)C2)cc1 ZINC000095512143 570465669 /nfs/dbraw/zinc/46/56/69/570465669.db2.gz LZCGGYBNHZMWCC-FQEVSTJZSA-N 2 2 371.525 3.687 50 0 FHAALP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)c(F)c1 ZINC000011935826 570711877 /nfs/dbraw/zinc/71/18/77/570711877.db2.gz ZQZGXBKPXAZIOI-SFHVURJKSA-N 2 2 371.460 3.625 50 0 FHAALP Cc1ccc2[nH]c(C3CC[NH+](Cc4nc(-c5ccccn5)no4)CC3)[nH+]c2c1 ZINC000012317630 570736346 /nfs/dbraw/zinc/73/63/46/570736346.db2.gz BFXIEVDAUXXUIZ-UHFFFAOYSA-N 2 2 374.448 3.696 50 0 FHAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1ccc2c(c1)OCO2 ZINC000012407570 570742555 /nfs/dbraw/zinc/74/25/55/570742555.db2.gz ZKMZUWGBBPLIBG-UHFFFAOYSA-N 2 2 366.465 3.719 50 0 FHAALP c1ccc2[nH+]c(C[C@H]3CCC[N@H+](Cc4cccc5nccnc45)C3)[nH]c2c1 ZINC000072168797 571177276 /nfs/dbraw/zinc/17/72/76/571177276.db2.gz LIDILUUWTVWVBW-MRXNPFEDSA-N 2 2 357.461 3.961 50 0 FHAALP c1ccc2[nH+]c(C[C@H]3CCC[N@@H+](Cc4cccc5nccnc45)C3)[nH]c2c1 ZINC000072168797 571177278 /nfs/dbraw/zinc/17/72/78/571177278.db2.gz LIDILUUWTVWVBW-MRXNPFEDSA-N 2 2 357.461 3.961 50 0 FHAALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000077380301 571209601 /nfs/dbraw/zinc/20/96/01/571209601.db2.gz VMTZNCTWAXLYRV-UHFFFAOYSA-N 2 2 369.557 3.554 50 0 FHAALP CCc1nn(C)c(Cl)c1C[N@@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000063871386 212035142 /nfs/dbraw/zinc/03/51/42/212035142.db2.gz MSJAHGOIFWEAGO-UHFFFAOYSA-N 2 2 374.960 3.775 50 0 FHAALP CCc1nn(C)c(Cl)c1C[N@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000063871386 212035139 /nfs/dbraw/zinc/03/51/39/212035139.db2.gz MSJAHGOIFWEAGO-UHFFFAOYSA-N 2 2 374.960 3.775 50 0 FHAALP CN1CC[NH+](CCCn2c(-c3ccccc3)cn3c4ccccc4[nH+]c32)CC1 ZINC000019854847 211259504 /nfs/dbraw/zinc/25/95/04/211259504.db2.gz OSCRLMJATOEDCD-UHFFFAOYSA-N 2 2 373.504 3.594 50 0 FHAALP Cc1ccccc1N1CC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)[C@H](C)C1 ZINC000065509079 221228790 /nfs/dbraw/zinc/22/87/90/221228790.db2.gz LDTSFISBNZVSTG-HXUWFJFHSA-N 2 2 364.537 3.565 50 0 FHAALP Cc1ccccc1N1CC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)[C@H](C)C1 ZINC000065509079 221228791 /nfs/dbraw/zinc/22/87/91/221228791.db2.gz LDTSFISBNZVSTG-HXUWFJFHSA-N 2 2 364.537 3.565 50 0 FHAALP C[C@H](C[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1)Cn1cc[nH+]c1 ZINC000067500445 221257380 /nfs/dbraw/zinc/25/73/80/221257380.db2.gz SNTAFZVJIOKIIC-MRXNPFEDSA-N 2 2 370.884 3.936 50 0 FHAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](C1CC[NH+](C)CC1)CCO2 ZINC000067833641 221291209 /nfs/dbraw/zinc/29/12/09/221291209.db2.gz JXUSVGHYZAQDAU-UHFFFAOYSA-N 2 2 352.478 3.656 50 0 FHAALP Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C1CC[NH+](C)CC1)CCO2 ZINC000067833641 221291210 /nfs/dbraw/zinc/29/12/10/221291210.db2.gz JXUSVGHYZAQDAU-UHFFFAOYSA-N 2 2 352.478 3.656 50 0 FHAALP Fc1ccc(OC[C@H]2CCCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)C2)cc1 ZINC000077322680 132181166 /nfs/dbraw/zinc/18/11/66/132181166.db2.gz YNIDZPJGKNIRQJ-SFHVURJKSA-N 2 2 366.440 3.761 50 0 FHAALP Cc1cc(N2CC[NH+](Cc3cnc(C4CCCCC4)nc3)CC2)cc[nH+]1 ZINC000214962700 132269872 /nfs/dbraw/zinc/26/98/72/132269872.db2.gz HRVQAIIQZVIRMJ-UHFFFAOYSA-N 2 2 351.498 3.550 50 0 FHAALP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000097729553 222207141 /nfs/dbraw/zinc/20/71/41/222207141.db2.gz UHHYJXDORMYOFC-OAHLLOKOSA-N 2 2 355.873 3.839 50 0 FHAALP Clc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3)C2)cc1 ZINC000097729553 222207142 /nfs/dbraw/zinc/20/71/42/222207142.db2.gz UHHYJXDORMYOFC-OAHLLOKOSA-N 2 2 355.873 3.839 50 0 FHAALP CCCOc1c(Cl)cc(C[NH2+]CCCn2cc[nH+]c2)cc1OCC ZINC000020932136 520294996 /nfs/dbraw/zinc/29/49/96/520294996.db2.gz SGGSJNIVAIGUQU-UHFFFAOYSA-N 2 2 351.878 3.904 50 0 FHAALP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1 ZINC000091656375 525963310 /nfs/dbraw/zinc/96/33/10/525963310.db2.gz IMOQMNMPBXTHSF-GOSISDBHSA-N 2 2 372.557 3.654 50 0 FHAALP CN1CC[N@H+](Cc2ccccc2OCCC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000215305330 568062872 /nfs/dbraw/zinc/06/28/72/568062872.db2.gz UJINXVNJZHIJNF-JOCHJYFZSA-N 2 2 367.537 3.506 50 0 FHAALP CN1CC[N@@H+](Cc2ccccc2OCCC[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000215305330 568062873 /nfs/dbraw/zinc/06/28/73/568062873.db2.gz UJINXVNJZHIJNF-JOCHJYFZSA-N 2 2 367.537 3.506 50 0 FHAALP CCOc1cc(C[NH+]2CCC(Cn3cc[nH+]c3)CC2)c(Cl)cc1OC ZINC000215655203 568082168 /nfs/dbraw/zinc/08/21/68/568082168.db2.gz XXCVJEUVJUUTBP-UHFFFAOYSA-N 2 2 363.889 3.856 50 0 FHAALP c1cn(Cc2cscn2)c(C2CC[NH+](CCOc3ccccc3)CC2)[nH+]1 ZINC000091906968 570442024 /nfs/dbraw/zinc/44/20/24/570442024.db2.gz BPJQTHKTXSRHBU-UHFFFAOYSA-N 2 2 368.506 3.646 50 0 FHAALP c1c([C@H]2CCC[NH2+]C2)nnn1CC1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000095375392 570457326 /nfs/dbraw/zinc/45/73/26/570457326.db2.gz ZJCPJNOMSSCVFX-JCYILVPMSA-N 2 2 364.497 3.595 50 0 FHAALP CC(C)[NH+]1CCC([NH2+]Cc2cccnc2N(C)Cc2ccccc2)CC1 ZINC000011932929 570711936 /nfs/dbraw/zinc/71/19/36/570711936.db2.gz QKOBALZKCBIBEB-UHFFFAOYSA-N 2 2 352.526 3.680 50 0 FHAALP CCc1ccc2oc(=O)cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC000012413480 570743455 /nfs/dbraw/zinc/74/34/55/570743455.db2.gz VCGSOIFZYSKTMF-UHFFFAOYSA-N 2 2 354.494 3.806 50 0 biogenic,in-vitro FHAALP c1c(-c2ccc3c(c2)OCO3)[nH+]c2n1c1ccccc1n2CC[NH+]1CCCC1 ZINC000001274972 571045890 /nfs/dbraw/zinc/04/58/90/571045890.db2.gz MSOROTLAGHATLP-UHFFFAOYSA-N 2 2 374.444 3.781 50 0 FHAALP COc1c(C)c[nH+]c(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000050448842 571110498 /nfs/dbraw/zinc/11/04/98/571110498.db2.gz UDNKSMXUETWUED-UHFFFAOYSA-N 2 2 367.493 3.623 50 0 FHAALP Cc1cc(N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc(-c2ccccc2)[nH+]1 ZINC000072468483 571198281 /nfs/dbraw/zinc/19/82/81/571198281.db2.gz BNLIAIBJTPNEJN-HXUWFJFHSA-N 2 2 359.477 3.924 50 0 FHAALP Cc1cc(N[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc(-c2ccccc2)[nH+]1 ZINC000072468483 571198284 /nfs/dbraw/zinc/19/82/84/571198284.db2.gz BNLIAIBJTPNEJN-HXUWFJFHSA-N 2 2 359.477 3.924 50 0 FHAALP C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CC12CCC[NH+]1CCC2 ZINC000077323463 571207838 /nfs/dbraw/zinc/20/78/38/571207838.db2.gz UDMYNEVYYVETAW-INIZCTEOSA-N 2 2 353.466 3.586 50 0 FHAALP COc1cc(-c2[nH+]ccn2CC2(Cn3cc[nH+]c3C)CC2)cc(Cl)c1O ZINC000077540962 571215009 /nfs/dbraw/zinc/21/50/09/571215009.db2.gz HCPVZRBTODISDR-UHFFFAOYSA-N 2 2 372.856 3.903 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000095435782 571329576 /nfs/dbraw/zinc/32/95/76/571329576.db2.gz VMSJZEUHXMUBOJ-PKOBYXMFSA-N 2 2 354.494 3.847 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000095435782 571329577 /nfs/dbraw/zinc/32/95/77/571329577.db2.gz VMSJZEUHXMUBOJ-PKOBYXMFSA-N 2 2 354.494 3.847 50 0 FHAALP Cc1ccc(OCc2nc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC000095959242 571333012 /nfs/dbraw/zinc/33/30/12/571333012.db2.gz PUDDXEKJDZBXFT-MRXNPFEDSA-N 2 2 356.495 3.653 50 0 FHAALP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nc(-c2cccnc2)no1 ZINC000096007202 571333894 /nfs/dbraw/zinc/33/38/94/571333894.db2.gz KQEAFUDTBMLIGI-HUUCEWRRSA-N 2 2 360.421 3.729 50 0 FHAALP CCc1ncc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000055107985 210067478 /nfs/dbraw/zinc/06/74/78/210067478.db2.gz XSGXKXWQUNQVHE-HSZRJFAPSA-N 2 2 364.537 3.570 50 0 FHAALP CCc1ncc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000055107985 210067482 /nfs/dbraw/zinc/06/74/82/210067482.db2.gz XSGXKXWQUNQVHE-HSZRJFAPSA-N 2 2 364.537 3.570 50 0 FHAALP CCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000055107985 210067486 /nfs/dbraw/zinc/06/74/86/210067486.db2.gz XSGXKXWQUNQVHE-HSZRJFAPSA-N 2 2 364.537 3.570 50 0 FHAALP CCc1ncc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cn1 ZINC000055107985 210067491 /nfs/dbraw/zinc/06/74/91/210067491.db2.gz XSGXKXWQUNQVHE-HSZRJFAPSA-N 2 2 364.537 3.570 50 0 FHAALP CN(Cc1ccc(-c2ccccc2)cc1)c1cc([C@H]2C[C@@H]([NH3+])C2)[nH+]c(N)n1 ZINC000244884389 222944868 /nfs/dbraw/zinc/94/48/68/222944868.db2.gz YLNFVOPQRLSFDF-KDURUIRLSA-N 2 2 359.477 3.567 50 0 FHAALP CCSc1ncc(C[N@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000063857766 212035806 /nfs/dbraw/zinc/03/58/06/212035806.db2.gz YDMHYHXYUIHKGG-UHFFFAOYSA-N 2 2 370.566 3.728 50 0 FHAALP CCSc1ncc(C[N@@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cn1 ZINC000063857766 212035809 /nfs/dbraw/zinc/03/58/09/212035809.db2.gz YDMHYHXYUIHKGG-UHFFFAOYSA-N 2 2 370.566 3.728 50 0 FHAALP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000061012147 212023511 /nfs/dbraw/zinc/02/35/11/212023511.db2.gz ROVSYABUIVLWAU-UHFFFAOYSA-N 2 2 366.912 3.710 50 0 FHAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000022930496 211370690 /nfs/dbraw/zinc/37/06/90/211370690.db2.gz VUWUVGLXVTUBDU-HXUWFJFHSA-N 2 2 367.493 3.521 50 0 FHAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000022930496 211370697 /nfs/dbraw/zinc/37/06/97/211370697.db2.gz VUWUVGLXVTUBDU-HXUWFJFHSA-N 2 2 367.493 3.521 50 0 FHAALP c1c(-c2ccccc2)n(CCC[NH+]2CCOCC2)c2[nH+]c3ccccc3n12 ZINC000019374325 211219675 /nfs/dbraw/zinc/21/96/75/211219675.db2.gz AGVDGCXWYZVQRG-UHFFFAOYSA-N 2 2 360.461 3.678 50 0 FHAALP O=C(N[C@H]1CCC[N@H+](CC2CCCCC2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000015079029 211121760 /nfs/dbraw/zinc/12/17/60/211121760.db2.gz DLYYQOBAJBATQP-SFHVURJKSA-N 2 2 366.509 3.851 50 0 FHAALP O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000015079029 211121763 /nfs/dbraw/zinc/12/17/63/211121763.db2.gz DLYYQOBAJBATQP-SFHVURJKSA-N 2 2 366.509 3.851 50 0 FHAALP CC(=O)Oc1c(C)cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1C ZINC000065388009 221210074 /nfs/dbraw/zinc/21/00/74/221210074.db2.gz RMCKAMMVUHNGJC-NRFANRHFSA-N 2 2 363.461 3.956 50 0 FHAALP COc1ccc2cc([C@H]3C[N@H+](CCCn4cc[nH+]c4C)CCO3)ccc2c1 ZINC000071551679 221352115 /nfs/dbraw/zinc/35/21/15/221352115.db2.gz PQAWWBOKDWPORO-JOCHJYFZSA-N 2 2 365.477 3.817 50 0 FHAALP COc1ccc2cc([C@H]3C[N@@H+](CCCn4cc[nH+]c4C)CCO3)ccc2c1 ZINC000071551679 221352119 /nfs/dbraw/zinc/35/21/19/221352119.db2.gz PQAWWBOKDWPORO-JOCHJYFZSA-N 2 2 365.477 3.817 50 0 FHAALP O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097797347 222212591 /nfs/dbraw/zinc/21/25/91/222212591.db2.gz WAVZHYARYMDUOR-IBGZPJMESA-N 2 2 374.488 3.686 50 0 FHAALP O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1-c1[nH]cc[nH+]1 ZINC000097797347 222212595 /nfs/dbraw/zinc/21/25/95/222212595.db2.gz WAVZHYARYMDUOR-IBGZPJMESA-N 2 2 374.488 3.686 50 0 FHAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091468927 518921238 /nfs/dbraw/zinc/92/12/38/518921238.db2.gz SQGOIOPFKKNJCU-HXUWFJFHSA-N 2 2 368.525 3.714 50 0 FHAALP CCCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCOCC2)cc1Cl ZINC000020967518 520295930 /nfs/dbraw/zinc/29/59/30/520295930.db2.gz YEYPJWOISGLQBF-UHFFFAOYSA-N 2 2 361.313 3.594 50 0 FHAALP CCn1cc[nH+]c1C1CCN(C(=O)c2cc(C[NH+](CC)CC)oc2C)CC1 ZINC000091411605 520740391 /nfs/dbraw/zinc/74/03/91/520740391.db2.gz IMPGMNXRMGMSGF-UHFFFAOYSA-N 2 2 372.513 3.666 50 0 FHAALP c1cnn(-c2cccc(C[NH+]3CCC(c4[nH+]ccn4CC4CC4)CC3)c2)c1 ZINC000082106739 526552172 /nfs/dbraw/zinc/55/21/72/526552172.db2.gz HITNNACQQBXWGT-UHFFFAOYSA-N 2 2 361.493 3.858 50 0 FHAALP CCc1c[nH+]c(C)nc1N1CCC([NH2+]CCCc2ccccc2OC)CC1 ZINC000095524181 536020101 /nfs/dbraw/zinc/02/01/01/536020101.db2.gz BNAVVMOZEMBYCT-UHFFFAOYSA-N 2 2 368.525 3.547 50 0 FHAALP c1[nH+]c(CC2CCCC2)[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095358903 570454020 /nfs/dbraw/zinc/45/40/20/570454020.db2.gz SWRJCQHHXOSVCT-PZJWPPBQSA-N 2 2 356.558 3.839 50 0 FHAALP c1[nH+]c(CC2CCCC2)[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095358903 570454023 /nfs/dbraw/zinc/45/40/23/570454023.db2.gz SWRJCQHHXOSVCT-PZJWPPBQSA-N 2 2 356.558 3.839 50 0 FHAALP c1[nH]c(CC2CCCC2)[nH+]c1CN1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095358903 570454026 /nfs/dbraw/zinc/45/40/26/570454026.db2.gz SWRJCQHHXOSVCT-PZJWPPBQSA-N 2 2 356.558 3.839 50 0 FHAALP c1[nH]c(CC2CCCC2)[nH+]c1CN1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095358903 570454029 /nfs/dbraw/zinc/45/40/29/570454029.db2.gz SWRJCQHHXOSVCT-PZJWPPBQSA-N 2 2 356.558 3.839 50 0 FHAALP CSc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]c[nH+]c1C)C2 ZINC000095362381 570454512 /nfs/dbraw/zinc/45/45/12/570454512.db2.gz KWVFQHQIDRIZAV-FUHWJXTLSA-N 2 2 356.539 3.536 50 0 FHAALP CSc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1[nH]c[nH+]c1C)C2 ZINC000095362381 570454515 /nfs/dbraw/zinc/45/45/15/570454515.db2.gz KWVFQHQIDRIZAV-FUHWJXTLSA-N 2 2 356.539 3.536 50 0 FHAALP O=C(CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1)NC1CCCCC1 ZINC000095367387 570455726 /nfs/dbraw/zinc/45/57/26/570455726.db2.gz NHMROIWDHQCEBN-LJQANCHMSA-N 2 2 372.557 3.702 50 0 FHAALP O=C(CC[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1)NC1CCCCC1 ZINC000095367387 570455729 /nfs/dbraw/zinc/45/57/29/570455729.db2.gz NHMROIWDHQCEBN-LJQANCHMSA-N 2 2 372.557 3.702 50 0 FHAALP Cc1ncsc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095374677 570457355 /nfs/dbraw/zinc/45/73/55/570457355.db2.gz ILMSISFKEOIIPO-AWEZNQCLSA-N 2 2 359.524 3.532 50 0 FHAALP Cc1ncsc1C[N@H+]1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095374677 570457356 /nfs/dbraw/zinc/45/73/56/570457356.db2.gz ILMSISFKEOIIPO-AWEZNQCLSA-N 2 2 359.524 3.532 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000095527372 570468879 /nfs/dbraw/zinc/46/88/79/570468879.db2.gz ZNUCZLFMGACBKG-QGZVFWFLSA-N 2 2 374.916 3.508 50 0 FHAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(NC(=O)c3ccccc3)ccc2n1C ZINC000006665015 570651389 /nfs/dbraw/zinc/65/13/89/570651389.db2.gz XQVMOYZFBWFNAS-UHFFFAOYSA-N 2 2 359.433 3.573 50 0 FHAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000010313986 570699735 /nfs/dbraw/zinc/69/97/35/570699735.db2.gz GRNPMKMYTMDWPY-UHFFFAOYSA-N 2 2 351.450 3.651 50 0 FHAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(F)cc1 ZINC000010314003 570699974 /nfs/dbraw/zinc/69/99/74/570699974.db2.gz FRWRWHUYRCOOFL-UHFFFAOYSA-N 2 2 369.440 3.790 50 0 FHAALP CC(C)c1nnsc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000244602008 571113948 /nfs/dbraw/zinc/11/39/48/571113948.db2.gz DVZVJGBFXYVQBM-AWEZNQCLSA-N 2 2 355.511 3.993 50 0 FHAALP CC(C)c1nnsc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1 ZINC000244602008 571113946 /nfs/dbraw/zinc/11/39/46/571113946.db2.gz DVZVJGBFXYVQBM-AWEZNQCLSA-N 2 2 355.511 3.993 50 0 FHAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244652038 571114289 /nfs/dbraw/zinc/11/42/89/571114289.db2.gz GYQMDHPJWVTJFM-SFHVURJKSA-N 2 2 362.481 3.696 50 0 FHAALP CC(C)n1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244652038 571114290 /nfs/dbraw/zinc/11/42/90/571114290.db2.gz GYQMDHPJWVTJFM-SFHVURJKSA-N 2 2 362.481 3.696 50 0 FHAALP COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+](C)C)cc1C[NH+]1CCCC1 ZINC000072409122 571191439 /nfs/dbraw/zinc/19/14/39/571191439.db2.gz AEAFEKYJSQKDPZ-NRFANRHFSA-N 3 2 359.558 3.597 50 0 FHAALP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+](C)C)cc1C[NH+]1CCCC1 ZINC000072409122 571191440 /nfs/dbraw/zinc/19/14/40/571191440.db2.gz AEAFEKYJSQKDPZ-NRFANRHFSA-N 3 2 359.558 3.597 50 0 FHAALP C[C@H](C1CC[NH+](Cc2c(F)ccc(Cl)c2F)CC1)[NH+]1CCOCC1 ZINC000072427953 571194822 /nfs/dbraw/zinc/19/48/22/571194822.db2.gz XSDGKNLPPPPSHH-CYBMUJFWSA-N 2 2 358.860 3.551 50 0 FHAALP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)o2)cc1 ZINC000077300535 571206837 /nfs/dbraw/zinc/20/68/37/571206837.db2.gz OYXGPFUCYWTCOS-QFIPXVFZSA-N 2 2 354.494 3.678 50 0 FHAALP Cc1ccc(-c2ccc(C[N@H+]3CC[C@](O)(C[NH+]4CCCCC4)C3)o2)cc1 ZINC000077300535 571206838 /nfs/dbraw/zinc/20/68/38/571206838.db2.gz OYXGPFUCYWTCOS-QFIPXVFZSA-N 2 2 354.494 3.678 50 0 FHAALP Cc1c(F)cccc1C[NH+]1CCC(c2nnc(C[NH+](C)C)n2C2CC2)CC1 ZINC000082092458 571227895 /nfs/dbraw/zinc/22/78/95/571227895.db2.gz MUBBGRQCMZKGDI-UHFFFAOYSA-N 2 2 371.504 3.502 50 0 FHAALP COc1cccc(OC)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000012575160 220009653 /nfs/dbraw/zinc/00/96/53/220009653.db2.gz OAIOPOVDLCMOHN-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(OC)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCC1)C2 ZINC000012575160 220009656 /nfs/dbraw/zinc/00/96/56/220009656.db2.gz OAIOPOVDLCMOHN-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(OC)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2 ZINC000012575160 220009659 /nfs/dbraw/zinc/00/96/59/220009659.db2.gz OAIOPOVDLCMOHN-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP COc1cccc(OC)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC000012575160 220009660 /nfs/dbraw/zinc/00/96/60/220009660.db2.gz OAIOPOVDLCMOHN-JOCHJYFZSA-N 2 2 358.526 3.792 50 0 FHAALP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710030 220019787 /nfs/dbraw/zinc/01/97/87/220019787.db2.gz ZOOMWBZDPDNZNF-SFHVURJKSA-N 2 2 356.432 3.640 50 0 FHAALP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710030 220019790 /nfs/dbraw/zinc/01/97/90/220019790.db2.gz ZOOMWBZDPDNZNF-SFHVURJKSA-N 2 2 356.432 3.640 50 0 FHAALP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710030 220019793 /nfs/dbraw/zinc/01/97/93/220019793.db2.gz ZOOMWBZDPDNZNF-SFHVURJKSA-N 2 2 356.432 3.640 50 0 FHAALP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)C1 ZINC000012710030 220019794 /nfs/dbraw/zinc/01/97/94/220019794.db2.gz ZOOMWBZDPDNZNF-SFHVURJKSA-N 2 2 356.432 3.640 50 0 FHAALP COc1ccc([C@H](C[NH2+]Cc2cc(OC)cc(OC)c2)[NH+]2CCCC2)cc1 ZINC000022787458 220399140 /nfs/dbraw/zinc/39/91/40/220399140.db2.gz YURUEYMHJLMTJB-QFIPXVFZSA-N 2 2 370.493 3.639 50 0 FHAALP COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067886169 221301017 /nfs/dbraw/zinc/30/10/17/221301017.db2.gz WJPRZVRZJKYZPZ-MRXNPFEDSA-N 2 2 365.477 3.983 50 0 FHAALP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](C[NH3+])C3)c(C)o2)c2ccccc12 ZINC000067886169 221301020 /nfs/dbraw/zinc/30/10/20/221301020.db2.gz WJPRZVRZJKYZPZ-MRXNPFEDSA-N 2 2 365.477 3.983 50 0 FHAALP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000091320994 132200686 /nfs/dbraw/zinc/20/06/86/132200686.db2.gz VGFYDTCFAIQURF-UHFFFAOYSA-N 2 2 374.488 3.597 50 0 FHAALP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000091320994 132200689 /nfs/dbraw/zinc/20/06/89/132200689.db2.gz VGFYDTCFAIQURF-UHFFFAOYSA-N 2 2 374.488 3.597 50 0 FHAALP c1cn(Cc2ccncc2)c(C2CCN(c3ccc4c([nH+]3)CCCC4)CC2)[nH+]1 ZINC000095505520 132212642 /nfs/dbraw/zinc/21/26/42/132212642.db2.gz MSRDTXFPRCAETC-UHFFFAOYSA-N 2 2 373.504 3.984 50 0 FHAALP Fc1ccccc1N1CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000000757701 132378392 /nfs/dbraw/zinc/37/83/92/132378392.db2.gz PQMZLCTYUGDYOU-UHFFFAOYSA-N 2 2 367.512 3.655 50 0 FHAALP Fc1ccccc1N1CC[NH+](C2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000001154791 132380580 /nfs/dbraw/zinc/38/05/80/132380580.db2.gz LVVWIRQWTFKIOR-HSALFYBXSA-N 2 2 369.528 3.624 50 0 FHAALP CC[N@@H+]1CCC[C@@H](C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000097307598 222174173 /nfs/dbraw/zinc/17/41/73/222174173.db2.gz AOOBWJPFQMJJKA-DAWZGUTISA-N 2 2 368.525 3.685 50 0 FHAALP CC[N@H+]1CCC[C@@H](C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000097307598 222174176 /nfs/dbraw/zinc/17/41/76/222174176.db2.gz AOOBWJPFQMJJKA-DAWZGUTISA-N 2 2 368.525 3.685 50 0 FHAALP Cn1cc[nH+]c1-c1ccc(C(=O)NCC2([NH+]3CCCCC3)CCCC2)cc1 ZINC000426593912 263641703 /nfs/dbraw/zinc/64/17/03/263641703.db2.gz YUQVWQOQXNCHGG-UHFFFAOYSA-N 2 2 366.509 3.616 50 0 FHAALP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082109427 526502430 /nfs/dbraw/zinc/50/24/30/526502430.db2.gz KRLSXRRMUUMEEO-LJQANCHMSA-N 2 2 350.466 3.916 50 0 FHAALP Cc1noc(C)c1C[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082109427 526502439 /nfs/dbraw/zinc/50/24/39/526502439.db2.gz KRLSXRRMUUMEEO-LJQANCHMSA-N 2 2 350.466 3.916 50 0 FHAALP Cc1ccc(CNC(=O)CC[N@H+]2CCC[C@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095365965 570454923 /nfs/dbraw/zinc/45/49/23/570454923.db2.gz ZHGMHTKCKBHBML-FQEVSTJZSA-N 2 2 368.525 3.658 50 0 FHAALP Cc1ccc(CNC(=O)CC[N@@H+]2CCC[C@H](c3[nH+]ccn3C(C)C)C2)cc1 ZINC000095365965 570454927 /nfs/dbraw/zinc/45/49/27/570454927.db2.gz ZHGMHTKCKBHBML-FQEVSTJZSA-N 2 2 368.525 3.658 50 0 FHAALP CSc1ncc(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)cn1 ZINC000095524563 570468443 /nfs/dbraw/zinc/46/84/43/570468443.db2.gz HZXBAZUEXLDPRG-IBGZPJMESA-N 2 2 368.550 3.652 50 0 FHAALP CSc1ncc(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095524563 570468446 /nfs/dbraw/zinc/46/84/46/570468446.db2.gz HZXBAZUEXLDPRG-IBGZPJMESA-N 2 2 368.550 3.652 50 0 FHAALP Fc1ccccc1N1CC[NH+](C2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)CC1 ZINC000004712146 570603003 /nfs/dbraw/zinc/60/30/03/570603003.db2.gz LVVWIRQWTFKIOR-AABGKKOBSA-N 2 2 369.528 3.624 50 0 FHAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1C ZINC000010314085 570699898 /nfs/dbraw/zinc/69/98/98/570699898.db2.gz SYPMBAUGNKBCJS-UHFFFAOYSA-N 2 2 365.477 3.959 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@H+](CCc2ccccc2C)C1 ZINC000012441882 570746163 /nfs/dbraw/zinc/74/61/63/570746163.db2.gz ORORYZZDOOUFQI-FQEVSTJZSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012441882 570746164 /nfs/dbraw/zinc/74/61/64/570746164.db2.gz ORORYZZDOOUFQI-FQEVSTJZSA-N 2 2 354.542 3.598 50 0 FHAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccccc1C ZINC000040719396 571092190 /nfs/dbraw/zinc/09/21/90/571092190.db2.gz OJXHQJQJXYRMKG-UHFFFAOYSA-N 2 2 365.477 3.959 50 0 FHAALP COc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H]1CCC[NH+]2CCCC[C@H]12)CC3 ZINC000072163703 571176350 /nfs/dbraw/zinc/17/63/50/571176350.db2.gz OZHZZSHKBFEUDB-KSFYIVLOSA-N 2 2 353.510 3.799 50 0 FHAALP COc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H]1CCC[NH+]2CCCC[C@H]12)CC3 ZINC000072163703 571176353 /nfs/dbraw/zinc/17/63/53/571176353.db2.gz OZHZZSHKBFEUDB-KSFYIVLOSA-N 2 2 353.510 3.799 50 0 FHAALP COc1ccc2[nH]c3c(c2c1)C[NH+](C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC3 ZINC000072163703 571176356 /nfs/dbraw/zinc/17/63/56/571176356.db2.gz OZHZZSHKBFEUDB-KSFYIVLOSA-N 2 2 353.510 3.799 50 0 FHAALP COc1ccc2[nH]c3c(c2c1)C[NH+](C[C@@H]1CCC[N@H+]2CCCC[C@H]12)CC3 ZINC000072163703 571176359 /nfs/dbraw/zinc/17/63/59/571176359.db2.gz OZHZZSHKBFEUDB-KSFYIVLOSA-N 2 2 353.510 3.799 50 0 FHAALP Cc1ccc([C@@H]2CN(Cc3c[nH+]cn3Cc3ccccc3)C[C@H]2[NH+](C)C)cc1 ZINC000077287730 571206138 /nfs/dbraw/zinc/20/61/38/571206138.db2.gz IYPQDLCIUOICDT-BJKOFHAPSA-N 2 2 374.532 3.769 50 0 FHAALP Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC[N@@H+](C3CCCCC3)CC2)cc1 ZINC000426701397 571235800 /nfs/dbraw/zinc/23/58/00/571235800.db2.gz JUMGJGDKSQOXHB-UHFFFAOYSA-N 2 2 366.509 3.568 50 0 FHAALP Cn1cc[nH+]c1-c1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cc1 ZINC000426701397 571235803 /nfs/dbraw/zinc/23/58/03/571235803.db2.gz JUMGJGDKSQOXHB-UHFFFAOYSA-N 2 2 366.509 3.568 50 0 FHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000170676412 571285062 /nfs/dbraw/zinc/28/50/62/571285062.db2.gz YXMKEUDBGAPEKE-OAHLLOKOSA-N 2 2 367.415 3.816 50 0 FHAALP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000170676412 571285063 /nfs/dbraw/zinc/28/50/63/571285063.db2.gz YXMKEUDBGAPEKE-OAHLLOKOSA-N 2 2 367.415 3.816 50 0 FHAALP FC(F)n1cc[nH+]c1CC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000095959245 571332967 /nfs/dbraw/zinc/33/29/67/571332967.db2.gz YPAHXXXXRHBAKQ-UHFFFAOYSA-N 2 2 364.421 3.646 50 0 FHAALP CCc1ccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000000809672 219324123 /nfs/dbraw/zinc/32/41/23/219324123.db2.gz VXTJHEODJSLEHQ-UHFFFAOYSA-N 2 2 364.493 3.543 50 0 FHAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccccc3C)C2)cn1 ZINC000012589705 220011196 /nfs/dbraw/zinc/01/11/96/220011196.db2.gz RNFIZHLHRBFCCM-HXUWFJFHSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cn1 ZINC000012589705 220011187 /nfs/dbraw/zinc/01/11/87/220011187.db2.gz RNFIZHLHRBFCCM-HXUWFJFHSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccccc3C)C2)cn1 ZINC000012589705 220011190 /nfs/dbraw/zinc/01/11/90/220011190.db2.gz RNFIZHLHRBFCCM-HXUWFJFHSA-N 2 2 354.542 3.598 50 0 FHAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccccc3C)C2)cn1 ZINC000012589705 220011193 /nfs/dbraw/zinc/01/11/93/220011193.db2.gz RNFIZHLHRBFCCM-HXUWFJFHSA-N 2 2 354.542 3.598 50 0 FHAALP COc1cccc(C[N@H+](C)[C@H](C)c2cccnc2)c1OCCn1cc[nH+]c1 ZINC000055073052 221058849 /nfs/dbraw/zinc/05/88/49/221058849.db2.gz XZZNDNXUPIUMCM-QGZVFWFLSA-N 2 2 366.465 3.559 50 0 FHAALP COc1cccc(C[N@@H+](C)[C@H](C)c2cccnc2)c1OCCn1cc[nH+]c1 ZINC000055073052 221058852 /nfs/dbraw/zinc/05/88/52/221058852.db2.gz XZZNDNXUPIUMCM-QGZVFWFLSA-N 2 2 366.465 3.559 50 0 FHAALP Cn1cc[nH+]c1CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000058316819 221115002 /nfs/dbraw/zinc/11/50/02/221115002.db2.gz YYPFUMMDLHHMIG-UHFFFAOYSA-N 2 2 369.513 3.549 50 0 FHAALP Cn1cc[nH+]c1CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000058316819 221115003 /nfs/dbraw/zinc/11/50/03/221115003.db2.gz YYPFUMMDLHHMIG-UHFFFAOYSA-N 2 2 369.513 3.549 50 0 FHAALP CC(=O)Oc1c(C)cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1C ZINC000065388015 221209825 /nfs/dbraw/zinc/20/98/25/221209825.db2.gz RMCKAMMVUHNGJC-OAQYLSRUSA-N 2 2 363.461 3.956 50 0 FHAALP Cc1cc(-n2nc(C3CC3)nc2-c2ccccc2-c2[nH+]ccn2C)cc[nH+]1 ZINC000065404044 221213695 /nfs/dbraw/zinc/21/36/95/221213695.db2.gz ISNMHZDTMDPLDA-UHFFFAOYSA-N 2 2 356.433 3.916 50 0 FHAALP CCc1[nH]c(C[NH+]2CCC(c3n[nH]cc3Cc3ccccc3)CC2)c(C)[nH+]1 ZINC000067694954 221273983 /nfs/dbraw/zinc/27/39/83/221273983.db2.gz PNDRKZAUNWUSOP-UHFFFAOYSA-N 2 2 363.509 3.974 50 0 FHAALP COc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Cl)c1OC ZINC000106366704 132378021 /nfs/dbraw/zinc/37/80/21/132378021.db2.gz OVUATRKIFLTMNR-UHFFFAOYSA-N 2 2 361.873 3.511 50 0 FHAALP Cc1nc(N(C)Cc2ccccc2C[NH+]2CCCC2)cc([C@H]2CCOC2)[nH+]1 ZINC000426361251 263565416 /nfs/dbraw/zinc/56/54/16/263565416.db2.gz JPWWEQNDAMCJOF-FQEVSTJZSA-N 2 2 366.509 3.521 50 0 FHAALP CCCOc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020929458 520326472 /nfs/dbraw/zinc/32/64/72/520326472.db2.gz OXHYRKWCCSLYDM-UHFFFAOYSA-N 2 2 352.276 3.614 50 0 FHAALP Fc1ccccc1C[NH+]1CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000019842444 526410087 /nfs/dbraw/zinc/41/00/87/526410087.db2.gz LBZSQXOPUUBZDS-UHFFFAOYSA-N 2 2 367.512 3.608 50 0 FHAALP c1csc(N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)s3)CC2)n1 ZINC000216054331 568102872 /nfs/dbraw/zinc/10/28/72/568102872.db2.gz VDUHXQIEKDAAJV-UHFFFAOYSA-N 2 2 362.568 3.513 50 0 FHAALP C[C@@H](c1ccc(-c2ccc(C[NH+]3CCN(C)CC3)cn2)cc1)[NH+]1CCCC1 ZINC000216214953 568112979 /nfs/dbraw/zinc/11/29/79/568112979.db2.gz YTPGWTJYSWUKLK-IBGZPJMESA-N 2 2 364.537 3.653 50 0 FHAALP CC[NH+](CC)Cc1cc(C(=O)NCc2ccc3[nH]c(C)[nH+]c3c2)c(C)o1 ZINC000221428321 568405766 /nfs/dbraw/zinc/40/57/66/568405766.db2.gz GBBMEJHKUSIXCX-UHFFFAOYSA-N 2 2 354.454 3.545 50 0 FHAALP CC[NH+](CC)Cc1cc(C(=O)NCc2ccc3[nH+]c(C)[nH]c3c2)c(C)o1 ZINC000221428321 568405767 /nfs/dbraw/zinc/40/57/67/568405767.db2.gz GBBMEJHKUSIXCX-UHFFFAOYSA-N 2 2 354.454 3.545 50 0 FHAALP OC[C@H]1C[N@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C[NH+]1CCCCC1 ZINC000091895032 570442123 /nfs/dbraw/zinc/44/21/23/570442123.db2.gz QVKHDSPWIIYWGT-HUUCEWRRSA-N 2 2 357.325 3.520 50 0 FHAALP OC[C@H]1C[N@@H+](Cc2c(Cl)cccc2Cl)C[C@H]1C[NH+]1CCCCC1 ZINC000091895032 570442125 /nfs/dbraw/zinc/44/21/25/570442125.db2.gz QVKHDSPWIIYWGT-HUUCEWRRSA-N 2 2 357.325 3.520 50 0 FHAALP CCc1[nH]c(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000011936152 570602291 /nfs/dbraw/zinc/60/22/91/570602291.db2.gz BGMJFYZUNZZLLF-LJQANCHMSA-N 2 2 372.532 3.806 50 0 FHAALP CCc1[nH]c(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000011936152 570602294 /nfs/dbraw/zinc/60/22/94/570602294.db2.gz BGMJFYZUNZZLLF-LJQANCHMSA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936152 570602300 /nfs/dbraw/zinc/60/23/00/570602300.db2.gz BGMJFYZUNZZLLF-LJQANCHMSA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936152 570602304 /nfs/dbraw/zinc/60/23/04/570602304.db2.gz BGMJFYZUNZZLLF-LJQANCHMSA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936152 570602307 /nfs/dbraw/zinc/60/23/07/570602307.db2.gz BGMJFYZUNZZLLF-LJQANCHMSA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936152 570602310 /nfs/dbraw/zinc/60/23/10/570602310.db2.gz BGMJFYZUNZZLLF-LJQANCHMSA-N 2 2 372.532 3.806 50 0 FHAALP CC[N@@H+](Cc1cccc(F)c1F)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011703327 570705671 /nfs/dbraw/zinc/70/56/71/570705671.db2.gz JITXGWIORVXQGL-UHFFFAOYSA-N 3 2 365.512 3.593 50 0 FHAALP CC[N@H+](Cc1cccc(F)c1F)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011703327 570705675 /nfs/dbraw/zinc/70/56/75/570705675.db2.gz JITXGWIORVXQGL-UHFFFAOYSA-N 3 2 365.512 3.593 50 0 FHAALP Fc1ccc(N[C@@H]2CCC[N@@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1 ZINC000011821061 570708846 /nfs/dbraw/zinc/70/88/46/570708846.db2.gz HPAQVXXTKCFORW-OAQYLSRUSA-N 2 2 368.500 3.762 50 0 FHAALP Fc1ccc(N[C@@H]2CCC[N@H+](C3CC[NH+](Cc4ccccn4)CC3)C2)cc1 ZINC000011821061 570708850 /nfs/dbraw/zinc/70/88/50/570708850.db2.gz HPAQVXXTKCFORW-OAQYLSRUSA-N 2 2 368.500 3.762 50 0 FHAALP CC[NH+]1CCC([NH2+][C@@H](C)c2cnc(N3CCCCCCC3)nc2C)CC1 ZINC000011844557 570709839 /nfs/dbraw/zinc/70/98/39/570709839.db2.gz BXKDUIMUFCJLBQ-KRWDZBQOSA-N 2 2 359.562 3.690 50 0 FHAALP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000023479849 570964226 /nfs/dbraw/zinc/96/42/26/570964226.db2.gz AAYGRTBBEGXHTF-OAQYLSRUSA-N 2 2 361.493 3.508 50 0 FHAALP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000023479849 570964227 /nfs/dbraw/zinc/96/42/27/570964227.db2.gz AAYGRTBBEGXHTF-OAQYLSRUSA-N 2 2 361.493 3.508 50 0 FHAALP Clc1nc(N2CCCC2)sc1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072130949 571170981 /nfs/dbraw/zinc/17/09/81/571170981.db2.gz GYSYTPRKIQYNNH-CQSZACIVSA-N 2 2 365.934 3.505 50 0 FHAALP Clc1nc(N2CCCC2)sc1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2)C1 ZINC000072130949 571170983 /nfs/dbraw/zinc/17/09/83/571170983.db2.gz GYSYTPRKIQYNNH-CQSZACIVSA-N 2 2 365.934 3.505 50 0 FHAALP Cc1nc([C@@H](C)[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000072167233 571176788 /nfs/dbraw/zinc/17/67/88/571176788.db2.gz MQSNEFGIYFNMBO-OAHLLOKOSA-N 2 2 359.539 3.785 50 0 FHAALP Cc1nc([C@@H](C)[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c(C)s1 ZINC000072167233 571176790 /nfs/dbraw/zinc/17/67/90/571176790.db2.gz MQSNEFGIYFNMBO-OAHLLOKOSA-N 2 2 359.539 3.785 50 0 FHAALP CN(C)c1ncc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000072170549 571177313 /nfs/dbraw/zinc/17/73/13/571177313.db2.gz RMBDQUKKIGJAAQ-CQSZACIVSA-N 2 2 355.511 3.540 50 0 FHAALP CN(C)c1ncc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1 ZINC000072170549 571177314 /nfs/dbraw/zinc/17/73/14/571177314.db2.gz RMBDQUKKIGJAAQ-CQSZACIVSA-N 2 2 355.511 3.540 50 0 FHAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000077419709 571210753 /nfs/dbraw/zinc/21/07/53/571210753.db2.gz HNESFBNWKXGQHM-OAQYLSRUSA-N 2 2 363.509 3.652 50 0 FHAALP Cn1cc[nH+]c1CC[C@H]1CCCC[N@H+]1Cc1cccc(Cn2cccn2)c1 ZINC000077419709 571210754 /nfs/dbraw/zinc/21/07/54/571210754.db2.gz HNESFBNWKXGQHM-OAQYLSRUSA-N 2 2 363.509 3.652 50 0 FHAALP COc1ccc(-c2[nH+]ccn2C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1C ZINC000077470785 571212838 /nfs/dbraw/zinc/21/28/38/571212838.db2.gz ORHYJRRJLHJAFW-LJQANCHMSA-N 2 2 369.509 3.991 50 0 FHAALP CCn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2cc(C)c(C)cc2C)CC1 ZINC000077471228 571212901 /nfs/dbraw/zinc/21/29/01/571212901.db2.gz PSNYAUURAJYUTH-UHFFFAOYSA-N 2 2 369.557 3.664 50 0 FHAALP C[N@H+](Cc1ccccc1NC(=O)NCCCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000426438807 571225241 /nfs/dbraw/zinc/22/52/41/571225241.db2.gz HMCATPJVPFUZRT-UHFFFAOYSA-N 2 2 369.513 3.929 50 0 FHAALP C[N@@H+](Cc1ccccc1NC(=O)NCCCc1[nH]cc[nH+]1)C1CCCCC1 ZINC000426438807 571225244 /nfs/dbraw/zinc/22/52/44/571225244.db2.gz HMCATPJVPFUZRT-UHFFFAOYSA-N 2 2 369.513 3.929 50 0 FHAALP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000079076346 571326888 /nfs/dbraw/zinc/32/68/88/571326888.db2.gz VVSCQHULTRPGRU-UHFFFAOYSA-N 2 2 356.514 3.602 50 0 FHAALP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CCCn2cc[nH+]c2)c1 ZINC000079076346 571326889 /nfs/dbraw/zinc/32/68/89/571326889.db2.gz VVSCQHULTRPGRU-UHFFFAOYSA-N 2 2 356.514 3.602 50 0 FHAALP CCn1c[nH+]cc1CNC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000299787201 223095923 /nfs/dbraw/zinc/09/59/23/223095923.db2.gz SBYNOWAYUGEQLD-INIZCTEOSA-N 2 2 355.486 3.599 50 0 FHAALP CCn1c[nH+]cc1CNC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000299787201 223095926 /nfs/dbraw/zinc/09/59/26/223095926.db2.gz SBYNOWAYUGEQLD-INIZCTEOSA-N 2 2 355.486 3.599 50 0 FHAALP COc1ccc(F)c(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000015069640 220145943 /nfs/dbraw/zinc/14/59/43/220145943.db2.gz PIYNCDDDNNHQLV-QFIPXVFZSA-N 2 2 369.484 3.717 50 0 FHAALP COc1ccc(F)c(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccnc4)C3)C2)c1 ZINC000015069640 220145946 /nfs/dbraw/zinc/14/59/46/220145946.db2.gz PIYNCDDDNNHQLV-QFIPXVFZSA-N 2 2 369.484 3.717 50 0 FHAALP COc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)c1 ZINC000015069640 220145950 /nfs/dbraw/zinc/14/59/50/220145950.db2.gz PIYNCDDDNNHQLV-QFIPXVFZSA-N 2 2 369.484 3.717 50 0 FHAALP COc1ccc(F)c(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)c1 ZINC000015069640 220145953 /nfs/dbraw/zinc/14/59/53/220145953.db2.gz PIYNCDDDNNHQLV-QFIPXVFZSA-N 2 2 369.484 3.717 50 0 FHAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1cnn2-c1cc(Cl)ccc1C ZINC000017287552 220212333 /nfs/dbraw/zinc/21/23/33/220212333.db2.gz FQYLPJCRLGBYGR-UHFFFAOYSA-N 2 2 372.904 3.921 50 0 FHAALP Fc1ccc(C[NH+]2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019842506 220302362 /nfs/dbraw/zinc/30/23/62/220302362.db2.gz OLHAVAYZARZNLD-UHFFFAOYSA-N 2 2 367.512 3.608 50 0 FHAALP CC(C)c1nn(C)c(Cl)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000063319713 221142548 /nfs/dbraw/zinc/14/25/48/221142548.db2.gz ISLSZIORCAKQSS-UHFFFAOYSA-N 2 2 352.954 3.941 50 0 FHAALP Cc1ccc(NC(=O)C[NH2+]CCc2[nH]c3ccc(C)c(C)c3[nH+]2)c(C)c1 ZINC000067770652 221282768 /nfs/dbraw/zinc/28/27/68/221282768.db2.gz ZZFFGWWXOWGOPP-UHFFFAOYSA-N 2 2 350.466 3.567 50 0 FHAALP Cc1ccc(NC(=O)C[NH2+]CCc2[nH]c3c(ccc(C)c3C)[nH+]2)c(C)c1 ZINC000067770652 221282770 /nfs/dbraw/zinc/28/27/70/221282770.db2.gz ZZFFGWWXOWGOPP-UHFFFAOYSA-N 2 2 350.466 3.567 50 0 FHAALP Cc1ccc(OC[C@H]2CCCN(c3ccc(Cn4cc[nH+]c4)c[nH+]3)C2)cc1 ZINC000077555691 132189387 /nfs/dbraw/zinc/18/93/87/132189387.db2.gz NDIQBOMKTDMZHD-FQEVSTJZSA-N 2 2 362.477 3.930 50 0 FHAALP Fc1ccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000000757706 132378352 /nfs/dbraw/zinc/37/83/52/132378352.db2.gz WDNFAICCVIDWKS-UHFFFAOYSA-N 2 2 353.485 3.612 50 0 FHAALP COc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775563 222211833 /nfs/dbraw/zinc/21/18/33/222211833.db2.gz BSVJDTKIUZLZLX-QHCPKHFHSA-N 2 2 366.505 3.865 50 0 FHAALP COc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1C[NH+]1CCCC1 ZINC000097775563 222211837 /nfs/dbraw/zinc/21/18/37/222211837.db2.gz BSVJDTKIUZLZLX-QHCPKHFHSA-N 2 2 366.505 3.865 50 0 FHAALP CC(C)c1nnc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)o1 ZINC000082155978 519886449 /nfs/dbraw/zinc/88/64/49/519886449.db2.gz ZVRMVNDVQPITCB-GOSISDBHSA-N 2 2 365.481 3.817 50 0 FHAALP CC(C)c1nnc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)o1 ZINC000082155978 519886451 /nfs/dbraw/zinc/88/64/51/519886451.db2.gz ZVRMVNDVQPITCB-GOSISDBHSA-N 2 2 365.481 3.817 50 0 FHAALP CC[NH+](CC)CCn1c2ccccc2n(CCOc2ccc(C)cc2)c1=[NH2+] ZINC000020069476 520714571 /nfs/dbraw/zinc/71/45/71/520714571.db2.gz LPQOEWVMYXKCIH-UHFFFAOYSA-N 2 2 366.509 3.651 50 0 FHAALP CCCN(C(=O)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000269188391 521444872 /nfs/dbraw/zinc/44/48/72/521444872.db2.gz VGXVTMYRDOGUCR-OAHLLOKOSA-N 2 2 359.857 3.741 50 0 FHAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000241161275 525013936 /nfs/dbraw/zinc/01/39/36/525013936.db2.gz JZPWWFKOFOUMQN-AUSIDOKSSA-N 2 2 360.505 3.542 50 0 FHAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000241161275 525013945 /nfs/dbraw/zinc/01/39/45/525013945.db2.gz JZPWWFKOFOUMQN-AUSIDOKSSA-N 2 2 360.505 3.542 50 0 FHAALP CCOc1ccc2nc(C[NH+]3CCC([NH+]4CCSCC4)CC3)ccc2c1 ZINC000216196059 568111579 /nfs/dbraw/zinc/11/15/79/568111579.db2.gz ROYNZLVQNXYTCR-UHFFFAOYSA-N 2 2 371.550 3.647 50 0 FHAALP c1[nH+]cn(C2CC2)c1CN1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000095497663 570462265 /nfs/dbraw/zinc/46/22/65/570462265.db2.gz HFRCIDFKHLISAN-RBBKRZOGSA-N 2 2 364.537 3.747 50 0 FHAALP c1[nH+]cn(C2CC2)c1CN1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000095497663 570462267 /nfs/dbraw/zinc/46/22/67/570462267.db2.gz HFRCIDFKHLISAN-RBBKRZOGSA-N 2 2 364.537 3.747 50 0 FHAALP CC[C@H](Cn1cc[nH+]c1)[NH2+]C1CCN(c2nc3ccccc3s2)CC1 ZINC000095527432 570468953 /nfs/dbraw/zinc/46/89/53/570468953.db2.gz WKEUUFTWAWZXDA-OAHLLOKOSA-N 2 2 355.511 3.530 50 0 FHAALP COc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)cc1O ZINC000095529725 570469482 /nfs/dbraw/zinc/46/94/82/570469482.db2.gz UJEFTUZULVWTOI-HXUWFJFHSA-N 2 2 366.505 3.855 50 0 FHAALP COc1ccc(C[NH+]2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)cc1O ZINC000095529725 570469486 /nfs/dbraw/zinc/46/94/86/570469486.db2.gz UJEFTUZULVWTOI-HXUWFJFHSA-N 2 2 366.505 3.855 50 0 FHAALP CC[NH+](CC)CCCNc1[nH+]cnc2c1cnn2-c1cccc(Cl)c1 ZINC000024013007 570969823 /nfs/dbraw/zinc/96/98/23/570969823.db2.gz JAGDISBZXJYDDE-UHFFFAOYSA-N 2 2 358.877 3.613 50 0 FHAALP CC[NH+](CC)CCn1c2ccccc2n(CCCOc2ccccc2)c1=[NH2+] ZINC000025180118 570992356 /nfs/dbraw/zinc/99/23/56/570992356.db2.gz QOONIBLZJGNXTN-UHFFFAOYSA-N 2 2 366.509 3.733 50 0 FHAALP C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000029402782 571039501 /nfs/dbraw/zinc/03/95/01/571039501.db2.gz STMSVCOCNUJVLQ-LJQANCHMSA-N 2 2 368.868 3.558 50 0 FHAALP c1cn(CCOc2ccccc2C[NH+]2CCC(c3ccncc3)CC2)c[nH+]1 ZINC000072436603 571196484 /nfs/dbraw/zinc/19/64/84/571196484.db2.gz DLPSEJIVNBPGGK-UHFFFAOYSA-N 2 2 362.477 3.737 50 0 FHAALP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000095407042 571329334 /nfs/dbraw/zinc/32/93/34/571329334.db2.gz SAWRYBBRTMXXEP-XLIONFOSSA-N 2 2 354.494 3.671 50 0 FHAALP COc1ccc(CC[NH2+][C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1OC ZINC000095407042 571329335 /nfs/dbraw/zinc/32/93/35/571329335.db2.gz SAWRYBBRTMXXEP-XLIONFOSSA-N 2 2 354.494 3.671 50 0 FHAALP c1c[nH]c([C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)c2ccccc2)n1 ZINC000095940780 571332390 /nfs/dbraw/zinc/33/23/90/571332390.db2.gz LXTUYRLBZZGGDT-OAQYLSRUSA-N 2 2 357.461 3.576 50 0 FHAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000095964901 571333097 /nfs/dbraw/zinc/33/30/97/571333097.db2.gz JZPWWFKOFOUMQN-XXBNENTESA-N 2 2 360.505 3.542 50 0 FHAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000095964901 571333098 /nfs/dbraw/zinc/33/30/98/571333098.db2.gz JZPWWFKOFOUMQN-XXBNENTESA-N 2 2 360.505 3.542 50 0 FHAALP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nc(-c2cccnc2)no1 ZINC000096007201 571333876 /nfs/dbraw/zinc/33/38/76/571333876.db2.gz KQEAFUDTBMLIGI-LSDHHAIUSA-N 2 2 360.421 3.729 50 0 FHAALP Cc1[nH+]ccn1CCc1[nH+]c2cc(NC(=O)c3cccc(C)c3)ccc2n1C ZINC000006665022 219744765 /nfs/dbraw/zinc/74/47/65/219744765.db2.gz OODVFISBPWMQEM-UHFFFAOYSA-N 2 2 373.460 3.882 50 0 FHAALP Cc1cc(C)c(CNC(=O)c2cccc(-c3ccc(C[NH+](C)C)cn3)c2)c[nH+]1 ZINC000299760419 223083720 /nfs/dbraw/zinc/08/37/20/223083720.db2.gz GULTYDRFYLBCBV-UHFFFAOYSA-N 2 2 374.488 3.752 50 0 FHAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4ccoc4)C3)C2)c1OC ZINC000012709522 220019090 /nfs/dbraw/zinc/01/90/90/220019090.db2.gz CICXMCWOUWDGDA-JOCHJYFZSA-N 2 2 370.493 3.785 50 0 FHAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccoc4)C3)C2)c1OC ZINC000012709522 220019092 /nfs/dbraw/zinc/01/90/92/220019092.db2.gz CICXMCWOUWDGDA-JOCHJYFZSA-N 2 2 370.493 3.785 50 0 FHAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccoc4)C3)C2)c1OC ZINC000012709522 220019095 /nfs/dbraw/zinc/01/90/95/220019095.db2.gz CICXMCWOUWDGDA-JOCHJYFZSA-N 2 2 370.493 3.785 50 0 FHAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccoc4)C3)C2)c1OC ZINC000012709522 220019097 /nfs/dbraw/zinc/01/90/97/220019097.db2.gz CICXMCWOUWDGDA-JOCHJYFZSA-N 2 2 370.493 3.785 50 0 FHAALP CCn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708614 220020277 /nfs/dbraw/zinc/02/02/77/220020277.db2.gz WHAVWWFEBFCHHI-JOCHJYFZSA-N 2 2 370.516 3.839 50 0 FHAALP CCn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708614 220020280 /nfs/dbraw/zinc/02/02/80/220020280.db2.gz WHAVWWFEBFCHHI-JOCHJYFZSA-N 2 2 370.516 3.839 50 0 FHAALP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708614 220020283 /nfs/dbraw/zinc/02/02/83/220020283.db2.gz WHAVWWFEBFCHHI-JOCHJYFZSA-N 2 2 370.516 3.839 50 0 FHAALP CCn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2F)C3)c(C)n1 ZINC000012708614 220020286 /nfs/dbraw/zinc/02/02/86/220020286.db2.gz WHAVWWFEBFCHHI-JOCHJYFZSA-N 2 2 370.516 3.839 50 0 FHAALP Cc1c(C[NH2+][C@H]2CCC[N@@H+](Cc3ccc(CC(C)C)cc3)C2)cnn1C ZINC000019223532 220241180 /nfs/dbraw/zinc/24/11/80/220241180.db2.gz WTULLOBFZWSYCY-QFIPXVFZSA-N 2 2 354.542 3.681 50 0 FHAALP Cc1c(C[NH2+][C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)cnn1C ZINC000019223532 220241185 /nfs/dbraw/zinc/24/11/85/220241185.db2.gz WTULLOBFZWSYCY-QFIPXVFZSA-N 2 2 354.542 3.681 50 0 FHAALP Cc1[nH+]ccn1CC[N@@H+]1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 ZINC000067872431 221298057 /nfs/dbraw/zinc/29/80/57/221298057.db2.gz SGGFMIJOJQEPKX-UHFFFAOYSA-N 2 2 363.461 3.767 50 0 FHAALP Cc1[nH+]ccn1CC[N@H+]1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 ZINC000067872431 221298061 /nfs/dbraw/zinc/29/80/61/221298061.db2.gz SGGFMIJOJQEPKX-UHFFFAOYSA-N 2 2 363.461 3.767 50 0 FHAALP Cc1cc(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000095357622 132207601 /nfs/dbraw/zinc/20/76/01/132207601.db2.gz TYVUGVDCDIVXHA-GOSISDBHSA-N 3 2 363.509 3.685 50 0 FHAALP Fc1ccc(N2CC[NH+](C3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000000757765 132378339 /nfs/dbraw/zinc/37/83/39/132378339.db2.gz HNWCYTUJOQVGNK-UHFFFAOYSA-N 2 2 367.512 3.655 50 0 FHAALP Cc1cc(N2CC[NH+](CCCOc3ccc(F)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000052685363 136124573 /nfs/dbraw/zinc/12/45/73/136124573.db2.gz AODVDQULPWVGJM-UHFFFAOYSA-N 2 2 372.488 3.639 50 0 FHAALP O[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000096797773 222130082 /nfs/dbraw/zinc/13/00/82/222130082.db2.gz UOJIHWBBJXSABY-QGZVFWFLSA-N 2 2 365.304 3.502 50 0 FHAALP O[C@H](C[NH2+]Cc1ccc(Cl)c(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000096797773 222130087 /nfs/dbraw/zinc/13/00/87/222130087.db2.gz UOJIHWBBJXSABY-QGZVFWFLSA-N 2 2 365.304 3.502 50 0 FHAALP O=C(CCCn1cc[nH+]c1)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000299766992 534390604 /nfs/dbraw/zinc/39/06/04/534390604.db2.gz GLWLLOUTECUGPN-IBGZPJMESA-N 2 2 374.916 3.660 50 0 FHAALP CCc1cc(NCc2cc3n(n2)CCC[N@@H+](C2CCCCC2)C3)nc(C)[nH+]1 ZINC000082136865 523824107 /nfs/dbraw/zinc/82/41/07/523824107.db2.gz ZKRIXQXMVNTDFF-UHFFFAOYSA-N 2 2 368.529 3.694 50 0 FHAALP CCc1cc(NCc2cc3n(n2)CCC[N@H+](C2CCCCC2)C3)nc(C)[nH+]1 ZINC000082136865 523824111 /nfs/dbraw/zinc/82/41/11/523824111.db2.gz ZKRIXQXMVNTDFF-UHFFFAOYSA-N 2 2 368.529 3.694 50 0 FHAALP c1cn(-c2ccc(CN3CC[NH+]([C@@H]4CCc5ccccc5C4)CC3)cc2)c[nH+]1 ZINC000215889800 568094238 /nfs/dbraw/zinc/09/42/38/568094238.db2.gz YBOLLIBHFHEGPP-XMMPIXPASA-N 2 2 372.516 3.547 50 0 FHAALP COc1ccc(CN2C[C@H]3CC[C@H](C[N@H+]3CC=C(C)C)C2)cc1C[NH+](C)C ZINC000091951466 570443504 /nfs/dbraw/zinc/44/35/04/570443504.db2.gz GZSJWGJQSMRBOH-RBBKRZOGSA-N 2 2 371.569 3.619 50 0 FHAALP COc1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC=C(C)C)C2)cc1C[NH+](C)C ZINC000091951466 570443506 /nfs/dbraw/zinc/44/35/06/570443506.db2.gz GZSJWGJQSMRBOH-RBBKRZOGSA-N 2 2 371.569 3.619 50 0 FHAALP OC[C@H]1C[N@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091997158 570444503 /nfs/dbraw/zinc/44/45/03/570444503.db2.gz NTIYBZIDPNMTQZ-QZTJIDSGSA-N 2 2 370.459 3.622 50 0 FHAALP OC[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091997158 570444504 /nfs/dbraw/zinc/44/45/04/570444504.db2.gz NTIYBZIDPNMTQZ-QZTJIDSGSA-N 2 2 370.459 3.622 50 0 FHAALP Cc1ncsc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095374678 570457269 /nfs/dbraw/zinc/45/72/69/570457269.db2.gz ILMSISFKEOIIPO-CQSZACIVSA-N 2 2 359.524 3.532 50 0 FHAALP Cc1ncsc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095374678 570457270 /nfs/dbraw/zinc/45/72/70/570457270.db2.gz ILMSISFKEOIIPO-CQSZACIVSA-N 2 2 359.524 3.532 50 0 FHAALP COc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)cc1O ZINC000095529726 570469360 /nfs/dbraw/zinc/46/93/60/570469360.db2.gz UJEFTUZULVWTOI-FQEVSTJZSA-N 2 2 366.505 3.855 50 0 FHAALP COc1ccc(C[NH+]2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)cc1O ZINC000095529726 570469364 /nfs/dbraw/zinc/46/93/64/570469364.db2.gz UJEFTUZULVWTOI-FQEVSTJZSA-N 2 2 366.505 3.855 50 0 FHAALP CC[N@@H+](Cc1[nH]cnc1C)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011935767 570711898 /nfs/dbraw/zinc/71/18/98/570711898.db2.gz XNQOHQOMPRDFNJ-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP CC[N@H+](Cc1[nH]cnc1C)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000011935767 570711901 /nfs/dbraw/zinc/71/19/01/570711901.db2.gz XNQOHQOMPRDFNJ-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1[nH]cnc1C)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000011935767 570711904 /nfs/dbraw/zinc/71/19/04/570711904.db2.gz XNQOHQOMPRDFNJ-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP CC[NH+](Cc1[nH]cnc1C)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000011935767 570711908 /nfs/dbraw/zinc/71/19/08/570711908.db2.gz XNQOHQOMPRDFNJ-HXUWFJFHSA-N 2 2 370.541 3.503 50 0 FHAALP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([NH+]3CCSCC3)CC2)cc1C ZINC000012306337 570734999 /nfs/dbraw/zinc/73/49/99/570734999.db2.gz JDTKADXOSUEEET-UHFFFAOYSA-N 2 2 370.566 3.707 50 0 FHAALP CCCOc1ccc2[nH]c(C)c(C[N@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008717143 571056895 /nfs/dbraw/zinc/05/68/95/571056895.db2.gz VGRRGISYSMNGKU-UHFFFAOYSA-N 2 2 357.498 3.564 50 0 FHAALP CCCOc1ccc2[nH]c(C)c(C[N@@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008717143 571056900 /nfs/dbraw/zinc/05/69/00/571056900.db2.gz VGRRGISYSMNGKU-UHFFFAOYSA-N 2 2 357.498 3.564 50 0 FHAALP Fc1ccccc1CN1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072128109 571170651 /nfs/dbraw/zinc/17/06/51/571170651.db2.gz TXXJHGFIJRMGTG-UHFFFAOYSA-N 2 2 364.468 3.719 50 0 FHAALP Fc1ccccc1CN1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072128109 571170652 /nfs/dbraw/zinc/17/06/52/571170652.db2.gz TXXJHGFIJRMGTG-UHFFFAOYSA-N 2 2 364.468 3.719 50 0 FHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4cccc(OCCO)c4)CC3)[nH]c21 ZINC000072162588 571176111 /nfs/dbraw/zinc/17/61/11/571176111.db2.gz BJDFJXQJNBMQHP-UHFFFAOYSA-N 2 2 365.477 3.622 50 0 FHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4cccc(OCCO)c4)CC3)[nH+]c21 ZINC000072162588 571176114 /nfs/dbraw/zinc/17/61/14/571176114.db2.gz BJDFJXQJNBMQHP-UHFFFAOYSA-N 2 2 365.477 3.622 50 0 FHAALP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3nc(-c4ccccn4)no3)cc2)c[nH+]1 ZINC000077439484 571211806 /nfs/dbraw/zinc/21/18/06/571211806.db2.gz WBWRORYLFJKOKP-IBGZPJMESA-N 2 2 372.432 3.654 50 0 FHAALP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3nc(-c4ccccn4)no3)cc2)c[nH+]1 ZINC000077439484 571211807 /nfs/dbraw/zinc/21/18/07/571211807.db2.gz WBWRORYLFJKOKP-IBGZPJMESA-N 2 2 372.432 3.654 50 0 FHAALP c1cnn(-c2ccccc2C[N@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082099812 571228418 /nfs/dbraw/zinc/22/84/18/571228418.db2.gz NCDYMMOTTIDWJJ-FQEVSTJZSA-N 2 2 361.493 3.858 50 0 FHAALP c1cnn(-c2ccccc2C[N@@H+]2CCC[C@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082099812 571228420 /nfs/dbraw/zinc/22/84/20/571228420.db2.gz NCDYMMOTTIDWJJ-FQEVSTJZSA-N 2 2 361.493 3.858 50 0 FHAALP Cc1ccc(C)c(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)c1 ZINC000082121544 571228817 /nfs/dbraw/zinc/22/88/17/571228817.db2.gz ZCZHPKNHSWQVEE-UHFFFAOYSA-N 2 2 367.541 3.671 50 0 FHAALP Cn1cc[nH+]c1[C@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000426531560 571230574 /nfs/dbraw/zinc/23/05/74/571230574.db2.gz IBGMFQQEYHOMDN-HXUWFJFHSA-N 2 2 366.509 3.677 50 0 FHAALP CC(C)(C)[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cccc(N)[nH+]2)c1 ZINC000426598923 571233071 /nfs/dbraw/zinc/23/30/71/571233071.db2.gz POBKXXDAKYZMNC-LJQANCHMSA-N 2 2 366.509 3.571 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000095435781 571329583 /nfs/dbraw/zinc/32/95/83/571329583.db2.gz VMSJZEUHXMUBOJ-IEBWSBKVSA-N 2 2 354.494 3.847 50 0 FHAALP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000095435781 571329584 /nfs/dbraw/zinc/32/95/84/571329584.db2.gz VMSJZEUHXMUBOJ-IEBWSBKVSA-N 2 2 354.494 3.847 50 0 FHAALP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580042 220009735 /nfs/dbraw/zinc/00/97/35/220009735.db2.gz PMVPYKJZYQEOIK-IBGZPJMESA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580042 220009739 /nfs/dbraw/zinc/00/97/39/220009739.db2.gz PMVPYKJZYQEOIK-IBGZPJMESA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580042 220009742 /nfs/dbraw/zinc/00/97/42/220009742.db2.gz PMVPYKJZYQEOIK-IBGZPJMESA-N 2 2 374.960 3.943 50 0 FHAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012580042 220009747 /nfs/dbraw/zinc/00/97/47/220009747.db2.gz PMVPYKJZYQEOIK-IBGZPJMESA-N 2 2 374.960 3.943 50 0 FHAALP Cc1cc(-n2c(C)cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000022804364 220399316 /nfs/dbraw/zinc/39/93/16/220399316.db2.gz BKZJZTWPEDPPRN-OAQYLSRUSA-N 2 2 364.493 3.755 50 0 FHAALP Cc1cc(-n2c(C)cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C3)c2C)no1 ZINC000022804364 220399320 /nfs/dbraw/zinc/39/93/20/220399320.db2.gz BKZJZTWPEDPPRN-OAQYLSRUSA-N 2 2 364.493 3.755 50 0 FHAALP OCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)o1 ZINC000055183174 221061368 /nfs/dbraw/zinc/06/13/68/221061368.db2.gz XGJLPRKKSIGYEW-QHCPKHFHSA-N 2 2 368.521 3.693 50 0 FHAALP OCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCCc2ccccc2)C3)o1 ZINC000055183174 221061370 /nfs/dbraw/zinc/06/13/70/221061370.db2.gz XGJLPRKKSIGYEW-QHCPKHFHSA-N 2 2 368.521 3.693 50 0 FHAALP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCCc2ccccc2)C3)o1 ZINC000055183174 221061373 /nfs/dbraw/zinc/06/13/73/221061373.db2.gz XGJLPRKKSIGYEW-QHCPKHFHSA-N 2 2 368.521 3.693 50 0 FHAALP OCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)o1 ZINC000055183174 221061375 /nfs/dbraw/zinc/06/13/75/221061375.db2.gz XGJLPRKKSIGYEW-QHCPKHFHSA-N 2 2 368.521 3.693 50 0 FHAALP C[NH+]1CCC([N@H+](CCc2ccccc2)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000067758719 221283444 /nfs/dbraw/zinc/28/34/44/221283444.db2.gz XMIATULLQGZNMQ-UHFFFAOYSA-N 2 2 364.493 3.809 50 0 FHAALP C[NH+]1CCC([N@@H+](CCc2ccccc2)Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000067758719 221283448 /nfs/dbraw/zinc/28/34/48/221283448.db2.gz XMIATULLQGZNMQ-UHFFFAOYSA-N 2 2 364.493 3.809 50 0 FHAALP CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CCC[N@@H+]1CC1CC1 ZINC000071707876 221353959 /nfs/dbraw/zinc/35/39/59/221353959.db2.gz UUIHVESGAFABMM-FQEVSTJZSA-N 2 2 366.509 3.659 50 0 FHAALP CC(C)[C@@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CCC[N@H+]1CC1CC1 ZINC000071707876 221353962 /nfs/dbraw/zinc/35/39/62/221353962.db2.gz UUIHVESGAFABMM-FQEVSTJZSA-N 2 2 366.509 3.659 50 0 FHAALP c1cnn(-c2ccccc2C[N@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082099813 526552370 /nfs/dbraw/zinc/55/23/70/526552370.db2.gz NCDYMMOTTIDWJJ-HXUWFJFHSA-N 2 2 361.493 3.858 50 0 FHAALP c1cnn(-c2ccccc2C[N@@H+]2CCC[C@@H](c3[nH+]ccn3CC3CC3)C2)c1 ZINC000082099813 526552374 /nfs/dbraw/zinc/55/23/74/526552374.db2.gz NCDYMMOTTIDWJJ-HXUWFJFHSA-N 2 2 361.493 3.858 50 0 FHAALP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082092012 527413420 /nfs/dbraw/zinc/41/34/20/527413420.db2.gz KXBPHCOBOKWOQL-OAQYLSRUSA-N 3 2 363.509 3.706 50 0 FHAALP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082092012 527413426 /nfs/dbraw/zinc/41/34/26/527413426.db2.gz KXBPHCOBOKWOQL-OAQYLSRUSA-N 3 2 363.509 3.706 50 0 FHAALP CCC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1[nH+]ccn1C ZINC000095384938 570460238 /nfs/dbraw/zinc/46/02/38/570460238.db2.gz CLECBDICSHWARQ-LJQANCHMSA-N 2 2 354.498 3.677 50 0 FHAALP c1coc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022912364 570701374 /nfs/dbraw/zinc/70/13/74/570701374.db2.gz UYBZORVQUQCHCU-NRFANRHFSA-N 2 2 353.510 3.671 50 0 FHAALP Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000040091400 571075049 /nfs/dbraw/zinc/07/50/49/571075049.db2.gz QKEBWQQBSMVELD-UHFFFAOYSA-N 2 2 361.424 3.750 50 0 FHAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244652037 571114298 /nfs/dbraw/zinc/11/42/98/571114298.db2.gz GYQMDHPJWVTJFM-GOSISDBHSA-N 2 2 362.481 3.696 50 0 FHAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000244652037 571114299 /nfs/dbraw/zinc/11/42/99/571114299.db2.gz GYQMDHPJWVTJFM-GOSISDBHSA-N 2 2 362.481 3.696 50 0 FHAALP CNc1nc(N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH+]c2c1CCC2 ZINC000072427906 571194795 /nfs/dbraw/zinc/19/47/95/571194795.db2.gz NXFUTHJJSMAYJR-MRXNPFEDSA-N 2 2 371.916 3.737 50 0 FHAALP CNc1nc(N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH+]c2c1CCC2 ZINC000072427906 571194796 /nfs/dbraw/zinc/19/47/96/571194796.db2.gz NXFUTHJJSMAYJR-MRXNPFEDSA-N 2 2 371.916 3.737 50 0 FHAALP Nc1ncccc1C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000072480268 571199866 /nfs/dbraw/zinc/19/98/66/571199866.db2.gz OJYVEWKOWBRYIT-QFIPXVFZSA-N 2 2 350.510 3.542 50 0 FHAALP Nc1ncccc1C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000072480268 571199868 /nfs/dbraw/zinc/19/98/68/571199868.db2.gz OJYVEWKOWBRYIT-QFIPXVFZSA-N 2 2 350.510 3.542 50 0 FHAALP Nc1ncccc1C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000072480268 571199871 /nfs/dbraw/zinc/19/98/71/571199871.db2.gz OJYVEWKOWBRYIT-QFIPXVFZSA-N 2 2 350.510 3.542 50 0 FHAALP Nc1ncccc1C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072480268 571199873 /nfs/dbraw/zinc/19/98/73/571199873.db2.gz OJYVEWKOWBRYIT-QFIPXVFZSA-N 2 2 350.510 3.542 50 0 FHAALP C[C@H](c1ccc(-c2cc(N3CCCC3)nc(N)[nH+]2)cc1)[NH+]1CCCCC1 ZINC000426726915 571236741 /nfs/dbraw/zinc/23/67/41/571236741.db2.gz QILRHKGZJCMVJZ-MRXNPFEDSA-N 2 2 351.498 3.703 50 0 FHAALP C[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC000091657120 571242064 /nfs/dbraw/zinc/24/20/64/571242064.db2.gz MYZPCXNOHCSCKP-IBGZPJMESA-N 2 2 366.509 3.649 50 0 FHAALP C[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](Cc3nnc(C4CC4)o3)CC2)C1 ZINC000091657120 571242065 /nfs/dbraw/zinc/24/20/65/571242065.db2.gz MYZPCXNOHCSCKP-IBGZPJMESA-N 2 2 366.509 3.649 50 0 FHAALP Cc1ccc(OCc2nc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3)cs2)cc1 ZINC000095959243 571332995 /nfs/dbraw/zinc/33/29/95/571332995.db2.gz PUDDXEKJDZBXFT-INIZCTEOSA-N 2 2 356.495 3.653 50 0 FHAALP C[C@H](c1ccc(C(=O)N(C)Cc2c[nH+]c3ccccn23)o1)[NH+]1CCCCC1 ZINC000299755442 223081341 /nfs/dbraw/zinc/08/13/41/223081341.db2.gz CYXLECVWJIYQCG-MRXNPFEDSA-N 2 2 366.465 3.746 50 0 FHAALP Cc1ccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCOCC2)cc1 ZINC000019691053 220286507 /nfs/dbraw/zinc/28/65/07/220286507.db2.gz JWHDWFZFUAFWJU-UHFFFAOYSA-N 2 2 360.461 3.597 50 0 FHAALP Cc1cc(-n2c(C)cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C3)c2C)no1 ZINC000022804370 220398807 /nfs/dbraw/zinc/39/88/07/220398807.db2.gz BKZJZTWPEDPPRN-NRFANRHFSA-N 2 2 364.493 3.755 50 0 FHAALP Cc1cc(-n2c(C)cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C3)c2C)no1 ZINC000022804370 220398809 /nfs/dbraw/zinc/39/88/09/220398809.db2.gz BKZJZTWPEDPPRN-NRFANRHFSA-N 2 2 364.493 3.755 50 0 FHAALP CCc1ncc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000055107983 221058662 /nfs/dbraw/zinc/05/86/62/221058662.db2.gz XSGXKXWQUNQVHE-QHCPKHFHSA-N 2 2 364.537 3.570 50 0 FHAALP CCc1ncc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CCc2ccccc2)C3)cn1 ZINC000055107983 221058665 /nfs/dbraw/zinc/05/86/65/221058665.db2.gz XSGXKXWQUNQVHE-QHCPKHFHSA-N 2 2 364.537 3.570 50 0 FHAALP CCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CCc2ccccc2)C3)cn1 ZINC000055107983 221058669 /nfs/dbraw/zinc/05/86/69/221058669.db2.gz XSGXKXWQUNQVHE-QHCPKHFHSA-N 2 2 364.537 3.570 50 0 FHAALP CCc1ncc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cn1 ZINC000055107983 221058672 /nfs/dbraw/zinc/05/86/72/221058672.db2.gz XSGXKXWQUNQVHE-QHCPKHFHSA-N 2 2 364.537 3.570 50 0 FHAALP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1O ZINC000057991201 221096968 /nfs/dbraw/zinc/09/69/68/221096968.db2.gz SMMAKSWHTFKMEU-UHFFFAOYSA-N 2 2 360.885 3.808 50 0 FHAALP CCc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071682211 221353220 /nfs/dbraw/zinc/35/32/20/221353220.db2.gz MWLNNOPJQQAJIX-MRXNPFEDSA-N 2 2 354.281 3.826 50 0 FHAALP CCc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071682211 221353223 /nfs/dbraw/zinc/35/32/23/221353223.db2.gz MWLNNOPJQQAJIX-MRXNPFEDSA-N 2 2 354.281 3.826 50 0 FHAALP C[NH+](C)CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071419053 221347158 /nfs/dbraw/zinc/34/71/58/221347158.db2.gz NNQKWNJRSXZAQI-OAQYLSRUSA-N 2 2 374.912 3.854 50 0 FHAALP C[NH+](C)CCOc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071419053 221347161 /nfs/dbraw/zinc/34/71/61/221347161.db2.gz NNQKWNJRSXZAQI-OAQYLSRUSA-N 2 2 374.912 3.854 50 0 FHAALP c1cc2c(nc[nH+]c2N2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)[nH]1 ZINC000082170751 132198068 /nfs/dbraw/zinc/19/80/68/132198068.db2.gz VCZWRMPDEOVAIS-QGZVFWFLSA-N 2 2 358.449 3.587 50 0 FHAALP COCCn1cc[nH+]c1C1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000091624559 132202833 /nfs/dbraw/zinc/20/28/33/132202833.db2.gz ZTSPUJSJHDUICL-UHFFFAOYSA-N 2 2 368.403 3.636 50 0 FHAALP Cc1cc(C)[nH+]c(N2CCC[C@@H](c3[nH+]ccn3Cc3cscn3)C2)c1 ZINC000095508316 132212980 /nfs/dbraw/zinc/21/29/80/132212980.db2.gz QIEUYDGCCXLRSW-MRXNPFEDSA-N 2 2 353.495 3.784 50 0 FHAALP [NH3+][C@H](Cc1c[nH]c2ccccc12)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000096319022 132224957 /nfs/dbraw/zinc/22/49/57/132224957.db2.gz XAFYLTJHCCSKRP-GOSISDBHSA-N 2 2 368.912 3.513 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC000095375679 221877964 /nfs/dbraw/zinc/87/79/64/221877964.db2.gz UAHCMVCQTYLRRZ-KRWDZBQOSA-N 2 2 374.916 3.508 50 0 FHAALP Nc1ncccc1C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000102839877 222310286 /nfs/dbraw/zinc/31/02/86/222310286.db2.gz OJYVEWKOWBRYIT-JOCHJYFZSA-N 2 2 350.510 3.542 50 0 FHAALP Nc1ncccc1C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccccc3)C2)C1 ZINC000102839877 222310292 /nfs/dbraw/zinc/31/02/92/222310292.db2.gz OJYVEWKOWBRYIT-JOCHJYFZSA-N 2 2 350.510 3.542 50 0 FHAALP Nc1ncccc1C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000102839877 222310296 /nfs/dbraw/zinc/31/02/96/222310296.db2.gz OJYVEWKOWBRYIT-JOCHJYFZSA-N 2 2 350.510 3.542 50 0 FHAALP Nc1ncccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000102839877 222310300 /nfs/dbraw/zinc/31/03/00/222310300.db2.gz OJYVEWKOWBRYIT-JOCHJYFZSA-N 2 2 350.510 3.542 50 0 FHAALP CCCCc1[nH]c(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)c[nH+]1 ZINC000091645266 521297299 /nfs/dbraw/zinc/29/72/99/521297299.db2.gz MLZALKILFLAAEA-JOCHJYFZSA-N 2 2 372.557 3.900 50 0 FHAALP CCCCc1[nH]c(C[N@H+]2CC[C@@]3(C2)CCCN(C2CCCCC2)C3=O)c[nH+]1 ZINC000091645266 521297308 /nfs/dbraw/zinc/29/73/08/521297308.db2.gz MLZALKILFLAAEA-JOCHJYFZSA-N 2 2 372.557 3.900 50 0 FHAALP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(SC4CCCCC4)o3)C2)CC1 ZINC000216456238 523921759 /nfs/dbraw/zinc/92/17/59/523921759.db2.gz BLAIDAYKWLAPAM-KRWDZBQOSA-N 2 2 363.571 3.526 50 0 FHAALP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(SC4CCCCC4)o3)C2)CC1 ZINC000216456238 523921768 /nfs/dbraw/zinc/92/17/68/523921768.db2.gz BLAIDAYKWLAPAM-KRWDZBQOSA-N 2 2 363.571 3.526 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000095518757 570466871 /nfs/dbraw/zinc/46/68/71/570466871.db2.gz STPORBDPVVFKFT-IBGZPJMESA-N 2 2 360.546 3.511 50 0 FHAALP COc1ccccc1N1CC[NH+](C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000004140874 570578430 /nfs/dbraw/zinc/57/84/30/570578430.db2.gz DMCVDNXNXYSMHV-UHFFFAOYSA-N 2 2 357.542 3.614 50 0 FHAALP Fc1cccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000020079499 570909416 /nfs/dbraw/zinc/90/94/16/570909416.db2.gz LBKHDUOMTXIYGA-UHFFFAOYSA-N 2 2 353.485 3.612 50 0 FHAALP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000039942239 571066420 /nfs/dbraw/zinc/06/64/20/571066420.db2.gz QWOWAOIEDFBESX-UHFFFAOYSA-N 2 2 363.490 3.977 50 0 FHAALP CCn1cc[nH+]c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072142053 571171960 /nfs/dbraw/zinc/17/19/60/571171960.db2.gz LAYBNGJGIOIKSB-UHFFFAOYSA-N 2 2 360.505 3.810 50 0 FHAALP CC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000072163005 571176181 /nfs/dbraw/zinc/17/61/81/571176181.db2.gz IMRYVNGWXRGLIR-UHFFFAOYSA-N 2 2 359.473 3.995 50 0 FHAALP c1ccc(C[NH+]2CCC(c3nnc(C[NH+]4CCCC4)n3C3CC3)CC2)cc1 ZINC000077438692 571211653 /nfs/dbraw/zinc/21/16/53/571211653.db2.gz DDNBXURKSLHOBG-UHFFFAOYSA-N 2 2 365.525 3.588 50 0 FHAALP O=C1CCC2(CC[NH+](C3CCCCCCC3)CC2)CN1CCc1c[nH+]c[nH]1 ZINC000091410917 571239399 /nfs/dbraw/zinc/23/93/99/571239399.db2.gz SAQBRJUSZAGEON-UHFFFAOYSA-N 2 2 372.557 3.770 50 0 FHAALP O=C1CCC2(CC[NH+](C3CCCCCCC3)CC2)CN1CCc1c[nH]c[nH+]1 ZINC000091410917 571239401 /nfs/dbraw/zinc/23/94/01/571239401.db2.gz SAQBRJUSZAGEON-UHFFFAOYSA-N 2 2 372.557 3.770 50 0 FHAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@H+]2Cc2cc3ccccc3o2)C1 ZINC000091620269 571241315 /nfs/dbraw/zinc/24/13/15/571241315.db2.gz KSEHDSAERJRSMH-FUHWJXTLSA-N 2 2 350.466 3.561 50 0 FHAALP Cc1[nH+]c[nH]c1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC000091620269 571241317 /nfs/dbraw/zinc/24/13/17/571241317.db2.gz KSEHDSAERJRSMH-FUHWJXTLSA-N 2 2 350.466 3.561 50 0 FHAALP CC(C)n1cc[nH+]c1C1CCN(C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000091746234 571243370 /nfs/dbraw/zinc/24/33/70/571243370.db2.gz NAWYQNCDHSXPNL-LJQANCHMSA-N 2 2 372.488 3.612 50 0 FHAALP Cc1cc(C)n([C@H](C)C[NH2+]C2CCN(c3cc(C(C)C)[nH+]c(C)n3)CC2)n1 ZINC000096152901 939202192 /nfs/dbraw/zinc/20/21/92/939202192.db2.gz PTQHGOINNPRFJV-QGZVFWFLSA-N 2 2 370.545 3.541 50 0 FHAALP CC(C)n1cc[nH+]c1C1CC[NH+](Cc2nc3ccsc3c(=O)[nH]2)CC1 ZINC000253537238 222994483 /nfs/dbraw/zinc/99/44/83/222994483.db2.gz GPWGXPFVNIIQGW-UHFFFAOYSA-N 2 2 357.483 3.554 50 0 FHAALP CCn1c[nH+]cc1CNC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2C)c1 ZINC000299787207 223096254 /nfs/dbraw/zinc/09/62/54/223096254.db2.gz SBYNOWAYUGEQLD-MRXNPFEDSA-N 2 2 355.486 3.599 50 0 FHAALP CCn1c[nH+]cc1CNC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2C)c1 ZINC000299787207 223096256 /nfs/dbraw/zinc/09/62/56/223096256.db2.gz SBYNOWAYUGEQLD-MRXNPFEDSA-N 2 2 355.486 3.599 50 0 FHAALP CC1CC[NH+]([C@@H](C[NH2+]C[C@@H](O)COc2ccccc2)c2cccs2)CC1 ZINC000019363902 220253847 /nfs/dbraw/zinc/25/38/47/220253847.db2.gz XVMDYZMIUIBHTN-QUCCMNQESA-N 2 2 374.550 3.551 50 0 FHAALP Cc1ccc(-c2cn3c4ccccc4[nH+]c3n2CCC[NH+]2CCOCC2)cc1 ZINC000019706437 220288569 /nfs/dbraw/zinc/28/85/69/220288569.db2.gz QCSCIHAGYMIODR-UHFFFAOYSA-N 2 2 374.488 3.987 50 0 FHAALP c1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccncc2)n(-c2ccccn2)c1 ZINC000055270664 221064669 /nfs/dbraw/zinc/06/46/69/221064669.db2.gz BNOMDUAYFBSYOG-UHFFFAOYSA-N 2 2 372.476 3.556 50 0 FHAALP c1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccncc2)n(-c2ccccn2)c1 ZINC000055270664 221064671 /nfs/dbraw/zinc/06/46/71/221064671.db2.gz BNOMDUAYFBSYOG-UHFFFAOYSA-N 2 2 372.476 3.556 50 0 FHAALP CC(C)c1csc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000055568639 221071294 /nfs/dbraw/zinc/07/12/94/221071294.db2.gz OPENOAFJRSXPRC-UHFFFAOYSA-N 2 2 355.511 3.951 50 0 FHAALP CC(C)c1csc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccnc2)n1 ZINC000055568639 221071298 /nfs/dbraw/zinc/07/12/98/221071298.db2.gz OPENOAFJRSXPRC-UHFFFAOYSA-N 2 2 355.511 3.951 50 0 FHAALP CCc1c[nH]nc1C1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000067983316 221313028 /nfs/dbraw/zinc/31/30/28/221313028.db2.gz LCIVOEZCKBPFJA-UHFFFAOYSA-N 2 2 352.526 3.816 50 0 FHAALP CC(C)[C@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CCC[N@@H+]1CC1CC1 ZINC000071707877 221354458 /nfs/dbraw/zinc/35/44/58/221354458.db2.gz UUIHVESGAFABMM-HXUWFJFHSA-N 2 2 366.509 3.659 50 0 FHAALP CC(C)[C@H]1CN(C(=O)c2ccccc2-c2[nH]cc[nH+]2)CCC[N@H+]1CC1CC1 ZINC000071707877 221354459 /nfs/dbraw/zinc/35/44/59/221354459.db2.gz UUIHVESGAFABMM-HXUWFJFHSA-N 2 2 366.509 3.659 50 0 FHAALP COc1ccc2cc([C@@H]3C[N@H+](CCCn4cc[nH+]c4)CCO3)ccc2c1 ZINC000071721560 221355767 /nfs/dbraw/zinc/35/57/67/221355767.db2.gz YAFYMOLLAXNPED-NRFANRHFSA-N 2 2 351.450 3.509 50 0 FHAALP COc1ccc2cc([C@@H]3C[N@@H+](CCCn4cc[nH+]c4)CCO3)ccc2c1 ZINC000071721560 221355768 /nfs/dbraw/zinc/35/57/68/221355768.db2.gz YAFYMOLLAXNPED-NRFANRHFSA-N 2 2 351.450 3.509 50 0 FHAALP CC[N@@H+]1CCC[C@H](C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000097307594 222174319 /nfs/dbraw/zinc/17/43/19/222174319.db2.gz AOOBWJPFQMJJKA-ABHNRTSZSA-N 2 2 368.525 3.685 50 0 FHAALP CC[N@H+]1CCC[C@H](C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)C1 ZINC000097307594 222174324 /nfs/dbraw/zinc/17/43/24/222174324.db2.gz AOOBWJPFQMJJKA-ABHNRTSZSA-N 2 2 368.525 3.685 50 0 FHAALP O=C(N[C@H](CCn1cc[nH+]c1)c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000097601075 222197036 /nfs/dbraw/zinc/19/70/36/222197036.db2.gz FQHCCYNHQSHJMZ-OAQYLSRUSA-N 2 2 371.444 3.630 50 0 FHAALP CCn1cc[nH+]c1C1CCN(C(=O)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000097743060 222208154 /nfs/dbraw/zinc/20/81/54/222208154.db2.gz DQYJBVGLKNTFQH-UHFFFAOYSA-N 2 2 372.557 3.654 50 0 FHAALP CC(C)(C)[C@H](C[NH+]1CCCC1)NC(=O)c1cccc(-c2cccc(N)[nH+]2)c1 ZINC000426598921 263642871 /nfs/dbraw/zinc/64/28/71/263642871.db2.gz POBKXXDAKYZMNC-IBGZPJMESA-N 2 2 366.509 3.571 50 0 FHAALP CCCC[N@H+](C)CC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000089953518 520401634 /nfs/dbraw/zinc/40/16/34/520401634.db2.gz GYTIPZOWWXRFCG-UHFFFAOYSA-N 2 2 358.534 3.530 50 0 FHAALP CCCC[N@@H+](C)CC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000089953518 520401641 /nfs/dbraw/zinc/40/16/41/520401641.db2.gz GYTIPZOWWXRFCG-UHFFFAOYSA-N 2 2 358.534 3.530 50 0 FHAALP CCc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)on1 ZINC000082116291 523788210 /nfs/dbraw/zinc/78/82/10/523788210.db2.gz YGKIVVPQMYQTAI-GOSISDBHSA-N 2 2 350.466 3.861 50 0 FHAALP CCc1cc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3Cc3ccccc3)C2)on1 ZINC000082116291 523788216 /nfs/dbraw/zinc/78/82/16/523788216.db2.gz YGKIVVPQMYQTAI-GOSISDBHSA-N 2 2 350.466 3.861 50 0 FHAALP Cc1ccc(C[NH+]2CCC(c3nnc(C[NH+](C)C)n3C3CC3)CC2)c(F)c1 ZINC000082108576 524439575 /nfs/dbraw/zinc/43/95/75/524439575.db2.gz HBMQUVGBIGYEBD-UHFFFAOYSA-N 2 2 371.504 3.502 50 0 FHAALP COc1cccc(C[NH+]2CCC(c3[nH+]ccn3CC3CC3)CC2)c1OC ZINC000082138333 525936616 /nfs/dbraw/zinc/93/66/16/525936616.db2.gz QAKFNFYPFJWOML-UHFFFAOYSA-N 2 2 355.482 3.690 50 0 FHAALP C[N@H+](Cc1cnc(SCc2ccccc2)nc1)C[C@]1(C)CC[NH+](C)C1 ZINC000215025623 568042990 /nfs/dbraw/zinc/04/29/90/568042990.db2.gz MNMXPAVBHXIYPT-HXUWFJFHSA-N 2 2 356.539 3.543 50 0 FHAALP C[N@@H+](Cc1cnc(SCc2ccccc2)nc1)C[C@]1(C)CC[NH+](C)C1 ZINC000215025623 568042991 /nfs/dbraw/zinc/04/29/91/568042991.db2.gz MNMXPAVBHXIYPT-HXUWFJFHSA-N 2 2 356.539 3.543 50 0 FHAALP C[NH+](Cc1cnc(SCc2ccccc2)nc1)C[C@]1(C)CC[N@H+](C)C1 ZINC000215025623 568042993 /nfs/dbraw/zinc/04/29/93/568042993.db2.gz MNMXPAVBHXIYPT-HXUWFJFHSA-N 2 2 356.539 3.543 50 0 FHAALP C[NH+](Cc1cnc(SCc2ccccc2)nc1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000215025623 568042995 /nfs/dbraw/zinc/04/29/95/568042995.db2.gz MNMXPAVBHXIYPT-HXUWFJFHSA-N 2 2 356.539 3.543 50 0 FHAALP CCc1ccc(C[N@@H+](CCc2ccccn2)C2CC[NH+](CC)CC2)nc1 ZINC000215575658 568077739 /nfs/dbraw/zinc/07/77/39/568077739.db2.gz FHOHCYZWTSFCMK-UHFFFAOYSA-N 2 2 352.526 3.568 50 0 FHAALP CCc1ccc(C[N@H+](CCc2ccccn2)C2CC[NH+](CC)CC2)nc1 ZINC000215575658 568077740 /nfs/dbraw/zinc/07/77/40/568077740.db2.gz FHOHCYZWTSFCMK-UHFFFAOYSA-N 2 2 352.526 3.568 50 0 FHAALP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000221826419 568462289 /nfs/dbraw/zinc/46/22/89/568462289.db2.gz SAWRYBBRTMXXEP-FXAWDEMLSA-N 2 2 354.494 3.671 50 0 FHAALP COc1ccc(CC[NH2+][C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000221826419 568462291 /nfs/dbraw/zinc/46/22/91/568462291.db2.gz SAWRYBBRTMXXEP-FXAWDEMLSA-N 2 2 354.494 3.671 50 0 FHAALP c1cn(Cc2cscn2)c([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000095372852 570456844 /nfs/dbraw/zinc/45/68/44/570456844.db2.gz MZZZOCUHUFDVPR-KRWDZBQOSA-N 2 2 368.506 3.646 50 0 FHAALP c1cn(Cc2cscn2)c([C@H]2CCC[N@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000095372852 570456847 /nfs/dbraw/zinc/45/68/47/570456847.db2.gz MZZZOCUHUFDVPR-KRWDZBQOSA-N 2 2 368.506 3.646 50 0 FHAALP Fc1ccccc1C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004140878 570578375 /nfs/dbraw/zinc/57/83/75/570578375.db2.gz IRZPFUUMKXVPGH-UHFFFAOYSA-N 2 2 353.485 3.612 50 0 FHAALP Cc1ccc(C[NH+]2CCC([NH+]3CCN(c4ccccc4F)CC3)CC2)cc1 ZINC000004712143 570602727 /nfs/dbraw/zinc/60/27/27/570602727.db2.gz IQJQZQBEJJWMOE-UHFFFAOYSA-N 2 2 367.512 3.921 50 0 FHAALP c1coc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCCC2)c1 ZINC000022912367 570701358 /nfs/dbraw/zinc/70/13/58/570701358.db2.gz UYBZORVQUQCHCU-OAQYLSRUSA-N 2 2 353.510 3.671 50 0 FHAALP Cc1cccc(C)c1OC[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000032541024 571058122 /nfs/dbraw/zinc/05/81/22/571058122.db2.gz HJQRCELSZATZRH-FQEVSTJZSA-N 2 2 368.521 3.693 50 0 FHAALP O=C(CC[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2)C1)Nc1ccccc1Cl ZINC000084539308 571088333 /nfs/dbraw/zinc/08/83/33/571088333.db2.gz RNBGUSIGUDCJLR-SFHVURJKSA-N 2 2 371.912 3.923 50 0 FHAALP O=C(CC[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2)C1)Nc1ccccc1Cl ZINC000084539308 571088335 /nfs/dbraw/zinc/08/83/35/571088335.db2.gz RNBGUSIGUDCJLR-SFHVURJKSA-N 2 2 371.912 3.923 50 0 FHAALP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000055568934 571120912 /nfs/dbraw/zinc/12/09/12/571120912.db2.gz FKDYDQQBDHCFRC-HXUWFJFHSA-N 2 2 361.424 3.943 50 0 FHAALP Cc1cccc2[nH+]c(C3CC[NH+](Cc4ccccc4OCCO)CC3)[nH]c21 ZINC000072164173 571176405 /nfs/dbraw/zinc/17/64/05/571176405.db2.gz AMJDSMLTTCMCII-UHFFFAOYSA-N 2 2 365.477 3.622 50 0 FHAALP Cc1cccc2[nH]c(C3CC[NH+](Cc4ccccc4OCCO)CC3)[nH+]c21 ZINC000072164173 571176408 /nfs/dbraw/zinc/17/64/08/571176408.db2.gz AMJDSMLTTCMCII-UHFFFAOYSA-N 2 2 365.477 3.622 50 0 FHAALP FC1(F)CC[NH+](Cc2cc3n(n2)CCC[N@H+](C[C@@H]2CC=CCC2)C3)CC1 ZINC000072164474 571176493 /nfs/dbraw/zinc/17/64/93/571176493.db2.gz VXLBJLHFDVRALC-QGZVFWFLSA-N 2 2 364.484 3.676 50 0 FHAALP FC1(F)CC[NH+](Cc2cc3n(n2)CCC[N@@H+](C[C@@H]2CC=CCC2)C3)CC1 ZINC000072164474 571176494 /nfs/dbraw/zinc/17/64/94/571176494.db2.gz VXLBJLHFDVRALC-QGZVFWFLSA-N 2 2 364.484 3.676 50 0 FHAALP c1csc(-c2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCCCC4)C3)cn2)c1 ZINC000077286617 571206102 /nfs/dbraw/zinc/20/61/02/571206102.db2.gz MGTOYSLGFZSLIU-QGZVFWFLSA-N 2 2 356.539 3.903 50 0 FHAALP c1csc(-c2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCC4)C3)cn2)c1 ZINC000077286617 571206105 /nfs/dbraw/zinc/20/61/05/571206105.db2.gz MGTOYSLGFZSLIU-QGZVFWFLSA-N 2 2 356.539 3.903 50 0 FHAALP [NH3+][C@H]1CCCC[N@H+](Cc2cc(-c3ccccc3OC(F)(F)F)no2)C1 ZINC000082087907 571227872 /nfs/dbraw/zinc/22/78/72/571227872.db2.gz DVTBXKNHMFETPS-LBPRGKRZSA-N 2 2 355.360 3.553 50 0 FHAALP [NH3+][C@H]1CCCC[N@@H+](Cc2cc(-c3ccccc3OC(F)(F)F)no2)C1 ZINC000082087907 571227873 /nfs/dbraw/zinc/22/78/73/571227873.db2.gz DVTBXKNHMFETPS-LBPRGKRZSA-N 2 2 355.360 3.553 50 0 FHAALP O=C(NCCc1c[nH+]c[nH]1)c1cccc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000426634014 571234012 /nfs/dbraw/zinc/23/40/12/571234012.db2.gz SHABVRKJEQLIPZ-UHFFFAOYSA-N 2 2 374.488 3.645 50 0 FHAALP O=C(NCCc1c[nH]c[nH+]1)c1cccc(-c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000426634014 571234013 /nfs/dbraw/zinc/23/40/13/571234013.db2.gz SHABVRKJEQLIPZ-UHFFFAOYSA-N 2 2 374.488 3.645 50 0 FHAALP C[N@H+]([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000006936155 571255280 /nfs/dbraw/zinc/25/52/80/571255280.db2.gz BWOUGFHYOSCTRB-FQEVSTJZSA-N 2 2 355.457 3.532 50 0 FHAALP C[N@@H+]([C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000006936155 571255281 /nfs/dbraw/zinc/25/52/81/571255281.db2.gz BWOUGFHYOSCTRB-FQEVSTJZSA-N 2 2 355.457 3.532 50 0 FHAALP COc1ccc(CC[NH2+][C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000095407041 571329318 /nfs/dbraw/zinc/32/93/18/571329318.db2.gz SAWRYBBRTMXXEP-PXNSSMCTSA-N 2 2 354.494 3.671 50 0 FHAALP COc1ccc(CC[NH2+][C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1OC ZINC000095407041 571329319 /nfs/dbraw/zinc/32/93/19/571329319.db2.gz SAWRYBBRTMXXEP-PXNSSMCTSA-N 2 2 354.494 3.671 50 0 FHAALP CC(C)CC[N@@H+]1CCC[C@H]1c1ccc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000019743190 220292132 /nfs/dbraw/zinc/29/21/32/220292132.db2.gz UKTSEHPUVGCVRC-INIZCTEOSA-N 2 2 360.527 3.558 50 0 FHAALP CC(C)CC[N@H+]1CCC[C@H]1c1ccc(C(=O)NCCn2cc[nH+]c2)s1 ZINC000019743190 220292134 /nfs/dbraw/zinc/29/21/34/220292134.db2.gz UKTSEHPUVGCVRC-INIZCTEOSA-N 2 2 360.527 3.558 50 0 FHAALP COc1ccc(C[N@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cc1O ZINC000063871408 221144439 /nfs/dbraw/zinc/14/44/39/221144439.db2.gz SDFYZKKSMLCYGX-UHFFFAOYSA-N 2 2 354.494 3.540 50 0 FHAALP COc1ccc(C[N@@H+](CCc2ccccc2)C2CC[NH+](C)CC2)cc1O ZINC000063871408 221144441 /nfs/dbraw/zinc/14/44/41/221144441.db2.gz SDFYZKKSMLCYGX-UHFFFAOYSA-N 2 2 354.494 3.540 50 0 FHAALP CC(C)[NH+]1CCC(C[N@@H+]2CCc3[nH+]c[nH]c3[C@@H]2Cc2ccccc2)CC1 ZINC000067885165 221301487 /nfs/dbraw/zinc/30/14/87/221301487.db2.gz HIYYRGFQBSEVSP-NRFANRHFSA-N 3 2 352.526 3.672 50 0 FHAALP CC(C)[NH+]1CCC(C[N@H+]2CCc3[nH+]c[nH]c3[C@@H]2Cc2ccccc2)CC1 ZINC000067885165 221301491 /nfs/dbraw/zinc/30/14/91/221301491.db2.gz HIYYRGFQBSEVSP-NRFANRHFSA-N 3 2 352.526 3.672 50 0 FHAALP CC[N@@H+]1CC[C@@H](C[NH+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934390 221306325 /nfs/dbraw/zinc/30/63/25/221306325.db2.gz ALUWEYBEYGERAA-MRXNPFEDSA-N 2 2 372.534 3.965 50 0 FHAALP CC[N@H+]1CC[C@@H](C[NH+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934390 221306327 /nfs/dbraw/zinc/30/63/27/221306327.db2.gz ALUWEYBEYGERAA-MRXNPFEDSA-N 2 2 372.534 3.965 50 0 FHAALP CC[NH+]1CC[C@@H](C[N@@H+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934390 221306328 /nfs/dbraw/zinc/30/63/28/221306328.db2.gz ALUWEYBEYGERAA-MRXNPFEDSA-N 2 2 372.534 3.965 50 0 FHAALP CC[NH+]1CC[C@@H](C[N@H+]2CCOc3c(O)cc(-c4ccc(C)s4)cc3C2)C1 ZINC000067934390 221306330 /nfs/dbraw/zinc/30/63/30/221306330.db2.gz ALUWEYBEYGERAA-MRXNPFEDSA-N 2 2 372.534 3.965 50 0 FHAALP C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(c2[nH+]ccc3ccccc32)C1 ZINC000095521166 132214007 /nfs/dbraw/zinc/21/40/07/132214007.db2.gz BLOMYRPYDFMMKH-IBGZPJMESA-N 3 2 363.509 3.767 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000097137604 222163070 /nfs/dbraw/zinc/16/30/70/222163070.db2.gz HWKFXASQIQMSSC-MRXNPFEDSA-N 2 2 352.526 3.817 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000097137604 222163073 /nfs/dbraw/zinc/16/30/73/222163073.db2.gz HWKFXASQIQMSSC-MRXNPFEDSA-N 2 2 352.526 3.817 50 0 FHAALP Cc1cc(C[NH+]2CCC[C@@H](C)C2)c(C)c(C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000097137604 222163076 /nfs/dbraw/zinc/16/30/76/222163076.db2.gz HWKFXASQIQMSSC-MRXNPFEDSA-N 2 2 352.526 3.817 50 0 FHAALP Cc1cc(C[NH+]2CCC[C@@H](C)C2)c(C)c(C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000097137604 222163078 /nfs/dbraw/zinc/16/30/78/222163078.db2.gz HWKFXASQIQMSSC-MRXNPFEDSA-N 2 2 352.526 3.817 50 0 FHAALP c1cn(CC2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)c[nH+]1 ZINC000097730209 222209240 /nfs/dbraw/zinc/20/92/40/222209240.db2.gz NBINGDZPSWKCDU-UHFFFAOYSA-N 2 2 362.477 3.769 50 0 FHAALP CCCCc1[nH]c(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)c[nH+]1 ZINC000091645267 521299907 /nfs/dbraw/zinc/29/99/07/521299907.db2.gz MLZALKILFLAAEA-QFIPXVFZSA-N 2 2 372.557 3.900 50 0 FHAALP CCCCc1[nH]c(C[N@H+]2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)c[nH+]1 ZINC000091645267 521299916 /nfs/dbraw/zinc/29/99/16/521299916.db2.gz MLZALKILFLAAEA-QFIPXVFZSA-N 2 2 372.557 3.900 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000095376131 570457858 /nfs/dbraw/zinc/45/78/58/570457858.db2.gz WUPHSJYJCITDBM-KRWDZBQOSA-N 2 2 352.526 3.959 50 0 FHAALP Cc1cc(C[NH+]2CCc3nc[nH]c3C2)c(C)c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000095376131 570457861 /nfs/dbraw/zinc/45/78/61/570457861.db2.gz WUPHSJYJCITDBM-KRWDZBQOSA-N 2 2 352.526 3.959 50 0 FHAALP Cc1cc(C[NH+]2CCCC[C@@H]2C)c(C)c(C[N@@H+]2CCc3nc[nH]c3C2)c1 ZINC000095376131 570457863 /nfs/dbraw/zinc/45/78/63/570457863.db2.gz WUPHSJYJCITDBM-KRWDZBQOSA-N 2 2 352.526 3.959 50 0 FHAALP Cc1cc(C[NH+]2CCCC[C@@H]2C)c(C)c(C[N@H+]2CCc3nc[nH]c3C2)c1 ZINC000095376131 570457866 /nfs/dbraw/zinc/45/78/66/570457866.db2.gz WUPHSJYJCITDBM-KRWDZBQOSA-N 2 2 352.526 3.959 50 0 FHAALP CCc1[nH]c(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000011936151 570602437 /nfs/dbraw/zinc/60/24/37/570602437.db2.gz BGMJFYZUNZZLLF-IBGZPJMESA-N 2 2 372.532 3.806 50 0 FHAALP CCc1[nH]c(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)c(C)[nH+]1 ZINC000011936151 570602440 /nfs/dbraw/zinc/60/24/40/570602440.db2.gz BGMJFYZUNZZLLF-IBGZPJMESA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936151 570602445 /nfs/dbraw/zinc/60/24/45/570602445.db2.gz BGMJFYZUNZZLLF-IBGZPJMESA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936151 570602449 /nfs/dbraw/zinc/60/24/49/570602449.db2.gz BGMJFYZUNZZLLF-IBGZPJMESA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936151 570602454 /nfs/dbraw/zinc/60/24/54/570602454.db2.gz BGMJFYZUNZZLLF-IBGZPJMESA-N 2 2 372.532 3.806 50 0 FHAALP CCc1nc(C)c(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]1 ZINC000011936151 570602457 /nfs/dbraw/zinc/60/24/57/570602457.db2.gz BGMJFYZUNZZLLF-IBGZPJMESA-N 2 2 372.532 3.806 50 0 FHAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1F ZINC000010314004 570699809 /nfs/dbraw/zinc/69/98/09/570699809.db2.gz ZAMPIQGQSVMFOH-UHFFFAOYSA-N 2 2 369.440 3.790 50 0 FHAALP CCC[NH+]1CCC([NH2+]Cc2cccnc2N2CCc3ccccc3C2)CC1 ZINC000014947743 570826335 /nfs/dbraw/zinc/82/63/35/570826335.db2.gz YRGHRPAKTMQVCK-UHFFFAOYSA-N 2 2 364.537 3.608 50 0 FHAALP Cc1cc(N2CC[NH+](Cc3cccc4cccnc43)CC2)nc(C(C)C)[nH+]1 ZINC000012768583 571087897 /nfs/dbraw/zinc/08/78/97/571087897.db2.gz JIPXLEGXRZHCEL-UHFFFAOYSA-N 2 2 361.493 3.779 50 0 FHAALP COc1cccc(C[NH2+]CCC[NH+](C)C)c1OCc1cccc(Cl)c1 ZINC000040719495 571092125 /nfs/dbraw/zinc/09/21/25/571092125.db2.gz DXGPPNSKDIMCTJ-UHFFFAOYSA-N 2 2 362.901 3.969 50 0 FHAALP COc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1OC ZINC000058174294 571127465 /nfs/dbraw/zinc/12/74/65/571127465.db2.gz DVHUGHYKENQYNX-UHFFFAOYSA-N 2 2 355.413 3.627 50 0 FHAALP FC1(F)CC[NH+](Cc2cc3n(n2)CCC[N@H+](C[C@H]2CC=CCC2)C3)CC1 ZINC000072164473 571176441 /nfs/dbraw/zinc/17/64/41/571176441.db2.gz VXLBJLHFDVRALC-KRWDZBQOSA-N 2 2 364.484 3.676 50 0 FHAALP FC1(F)CC[NH+](Cc2cc3n(n2)CCC[N@@H+](C[C@H]2CC=CCC2)C3)CC1 ZINC000072164473 571176443 /nfs/dbraw/zinc/17/64/43/571176443.db2.gz VXLBJLHFDVRALC-KRWDZBQOSA-N 2 2 364.484 3.676 50 0 FHAALP Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc(C[NH+]2CCCCCC2)c1)C1CC1 ZINC000426531559 571230559 /nfs/dbraw/zinc/23/05/59/571230559.db2.gz IBGMFQQEYHOMDN-FQEVSTJZSA-N 2 2 366.509 3.677 50 0 FHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091325941 571239071 /nfs/dbraw/zinc/23/90/71/571239071.db2.gz SOPYWIGZSDCEIY-MRXNPFEDSA-N 2 2 367.415 3.928 50 0 FHAALP COCCn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000091325941 571239072 /nfs/dbraw/zinc/23/90/72/571239072.db2.gz SOPYWIGZSDCEIY-MRXNPFEDSA-N 2 2 367.415 3.928 50 0 FHAALP