smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000247136858 1099384064 /nfs/dbraw/zinc/38/40/64/1099384064.db2.gz AXABPDILWFPPKY-JTDSTZFVSA-N 2 2 366.534 4.253 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000247136858 1099384075 /nfs/dbraw/zinc/38/40/75/1099384075.db2.gz AXABPDILWFPPKY-JTDSTZFVSA-N 2 2 366.534 4.253 10 0 FIAELP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000126127198 1102697995 /nfs/dbraw/zinc/69/79/95/1102697995.db2.gz DLHXCQXCAVNPIQ-VCOUNFBDSA-N 2 2 352.526 4.064 10 0 FIAELP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000126127198 1102698003 /nfs/dbraw/zinc/69/80/03/1102698003.db2.gz DLHXCQXCAVNPIQ-VCOUNFBDSA-N 2 2 352.526 4.064 10 0 FIAELP Oc1cccc(-c2cn3c4ccccc4[nH+]c3n2CC[NH+]2CCCCC2)c1 ZINC000005286582 204200836 /nfs/dbraw/zinc/20/08/36/204200836.db2.gz DJLHFIOVQHHHQY-UHFFFAOYSA-N 2 2 360.461 4.148 10 0 FIAELP Clc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000010314158 204393791 /nfs/dbraw/zinc/39/37/91/204393791.db2.gz QSGVRDLPVJDGHM-UHFFFAOYSA-N 2 2 355.869 4.295 10 0 FIAELP Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)[nH]1 ZINC000162555853 568038829 /nfs/dbraw/zinc/03/88/29/568038829.db2.gz CQWSOQXFVIZPBY-YCRPNKLZSA-N 2 2 372.476 4.047 10 0 FIAELP COCCC1(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCCCC1 ZINC000189824907 1101905564 /nfs/dbraw/zinc/90/55/64/1101905564.db2.gz UDWKMSTYCYBUEH-UHFFFAOYSA-N 2 2 373.585 4.007 10 0 FIAELP COCCC1(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)CCCCC1 ZINC000189824907 1101905567 /nfs/dbraw/zinc/90/55/67/1101905567.db2.gz UDWKMSTYCYBUEH-UHFFFAOYSA-N 2 2 373.585 4.007 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000247583300 1091846582 /nfs/dbraw/zinc/84/65/82/1091846582.db2.gz IRFDRUOADCMMTR-NVXWUHKLSA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000247583300 1091846594 /nfs/dbraw/zinc/84/65/94/1091846594.db2.gz IRFDRUOADCMMTR-NVXWUHKLSA-N 2 2 374.916 4.071 10 0 FIAELP CC(C)c1cc(N[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073685253 205033369 /nfs/dbraw/zinc/03/33/69/205033369.db2.gz ZHRXROGCNCEHHE-OAHLLOKOSA-N 2 2 364.415 4.450 10 0 FIAELP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128504 568720873 /nfs/dbraw/zinc/72/08/73/568720873.db2.gz LEHIFIPEKQZWIK-IBGZPJMESA-N 2 2 362.521 4.194 10 0 FIAELP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128504 568720876 /nfs/dbraw/zinc/72/08/76/568720876.db2.gz LEHIFIPEKQZWIK-IBGZPJMESA-N 2 2 362.521 4.194 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628418 571325016 /nfs/dbraw/zinc/32/50/16/571325016.db2.gz HFFHCSNWRCFRMJ-PDGJWGCVSA-N 2 2 353.485 4.139 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628418 571325017 /nfs/dbraw/zinc/32/50/17/571325017.db2.gz HFFHCSNWRCFRMJ-PDGJWGCVSA-N 2 2 353.485 4.139 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 ZINC000328641176 571325764 /nfs/dbraw/zinc/32/57/64/571325764.db2.gz QKNNUHHZAUGORF-YJBOKZPZSA-N 2 2 367.390 4.022 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1cccnc1 ZINC000328641176 571325765 /nfs/dbraw/zinc/32/57/65/571325765.db2.gz QKNNUHHZAUGORF-YJBOKZPZSA-N 2 2 367.390 4.022 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000247136883 1099384415 /nfs/dbraw/zinc/38/44/15/1099384415.db2.gz AXABPDILWFPPKY-TXPKVOOTSA-N 2 2 366.534 4.253 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000247136883 1099384427 /nfs/dbraw/zinc/38/44/27/1099384427.db2.gz AXABPDILWFPPKY-TXPKVOOTSA-N 2 2 366.534 4.253 10 0 FIAELP Clc1ccc(COc2ccccc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000010313980 204394564 /nfs/dbraw/zinc/39/45/64/204394564.db2.gz POVOHVJLIVQUQS-UHFFFAOYSA-N 2 2 355.869 4.295 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000247583307 1091846767 /nfs/dbraw/zinc/84/67/67/1091846767.db2.gz IRFDRUOADCMMTR-WBVHZDCISA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000247583307 1091846772 /nfs/dbraw/zinc/84/67/72/1091846772.db2.gz IRFDRUOADCMMTR-WBVHZDCISA-N 2 2 374.916 4.071 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000247920389 1099394585 /nfs/dbraw/zinc/39/45/85/1099394585.db2.gz BCOUIUQHGDRLRI-CKFHNAJUSA-N 2 2 363.427 4.060 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000247920389 1099394598 /nfs/dbraw/zinc/39/45/98/1099394598.db2.gz BCOUIUQHGDRLRI-CKFHNAJUSA-N 2 2 363.427 4.060 10 0 FIAELP Fc1ccccc1COc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000010314053 204394684 /nfs/dbraw/zinc/39/46/84/204394684.db2.gz BEXAORLTMAZMRT-UHFFFAOYSA-N 2 2 373.859 4.435 10 0 FIAELP CCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073684384 523821685 /nfs/dbraw/zinc/82/16/85/523821685.db2.gz ZRPHXOOVFXZYIK-UHFFFAOYSA-N 2 2 364.415 4.136 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628419 571325013 /nfs/dbraw/zinc/32/50/13/571325013.db2.gz HFFHCSNWRCFRMJ-QESAQDPVSA-N 2 2 353.485 4.139 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628419 571325014 /nfs/dbraw/zinc/32/50/14/571325014.db2.gz HFFHCSNWRCFRMJ-QESAQDPVSA-N 2 2 353.485 4.139 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000106215230 1091704234 /nfs/dbraw/zinc/70/42/34/1091704234.db2.gz IRFDRUOADCMMTR-RDJZCZTQSA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000106215230 1091704242 /nfs/dbraw/zinc/70/42/42/1091704242.db2.gz IRFDRUOADCMMTR-RDJZCZTQSA-N 2 2 374.916 4.071 10 0 FIAELP Cc1[nH+]c(-c2ccc(C(F)(F)F)cc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000073684941 205033520 /nfs/dbraw/zinc/03/35/20/205033520.db2.gz DEFCFYNPWAIPRQ-CQSZACIVSA-N 2 2 364.415 4.191 10 0 FIAELP Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)[nH]1 ZINC000162556166 568039029 /nfs/dbraw/zinc/03/90/29/568039029.db2.gz CQWSOQXFVIZPBY-VFNWGFHPSA-N 2 2 372.476 4.047 10 0 FIAELP CCc1[nH]c(C[N@@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c(C)[nH+]1 ZINC000067955288 571152410 /nfs/dbraw/zinc/15/24/10/571152410.db2.gz HCZZAZPBOBCWAC-GOSISDBHSA-N 2 2 362.477 4.038 10 0 FIAELP CCc1[nH]c(C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(O)c4)c3)C2)c(C)[nH+]1 ZINC000067955288 571152413 /nfs/dbraw/zinc/15/24/13/571152413.db2.gz HCZZAZPBOBCWAC-GOSISDBHSA-N 2 2 362.477 4.038 10 0 FIAELP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000246591146 1099369846 /nfs/dbraw/zinc/36/98/46/1099369846.db2.gz ZIJHVEJSKPJCGR-GUDVDZBRSA-N 2 2 367.537 4.397 10 0 FIAELP Clc1ccccc1COc1ccccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000010313981 204393941 /nfs/dbraw/zinc/39/39/41/204393941.db2.gz JINRHFOZNJNQLY-UHFFFAOYSA-N 2 2 355.869 4.295 10 0 FIAELP CCCc1cc(NC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073662982 205032958 /nfs/dbraw/zinc/03/29/58/205032958.db2.gz GHVJTCZMBGKMKA-UHFFFAOYSA-N 2 2 364.415 4.279 10 0 FIAELP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000247945351 1099395084 /nfs/dbraw/zinc/39/50/84/1099395084.db2.gz DLHXCQXCAVNPIQ-UZKOGDIHSA-N 2 2 352.526 4.064 10 0 FIAELP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000247945351 1099395095 /nfs/dbraw/zinc/39/50/95/1099395095.db2.gz DLHXCQXCAVNPIQ-UZKOGDIHSA-N 2 2 352.526 4.064 10 0 FIAELP [NH3+]C1CCC(Nc2[nH+]c3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000095077201 209019122 /nfs/dbraw/zinc/01/91/22/209019122.db2.gz BKFBGRRNKZEUNF-UHFFFAOYSA-N 2 2 354.885 4.420 10 0 FIAELP Fc1cc(C[NH2+]Cc2cccn2Cc2cccs2)ccc1-n1cc[nH+]c1 ZINC000161786657 567967821 /nfs/dbraw/zinc/96/78/21/567967821.db2.gz IBAGPEZMKHDPIT-UHFFFAOYSA-N 2 2 366.465 4.213 10 0 FIAELP CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N[C@@H]1CCC[NH2+]C1 ZINC000073685280 208190807 /nfs/dbraw/zinc/19/08/07/208190807.db2.gz QXDDANOWSWTHRJ-OAHLLOKOSA-N 2 2 364.415 4.197 10 0 FIAELP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163835 1102472358 /nfs/dbraw/zinc/47/23/58/1102472358.db2.gz NIVADVGXFNBGRW-AWEZNQCLSA-N 2 2 373.451 4.181 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000126275783 1102701901 /nfs/dbraw/zinc/70/19/01/1102701901.db2.gz AXABPDILWFPPKY-GJYPPUQNSA-N 2 2 366.534 4.253 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cnc2ccsc2c1 ZINC000126275783 1102701912 /nfs/dbraw/zinc/70/19/12/1102701912.db2.gz AXABPDILWFPPKY-GJYPPUQNSA-N 2 2 366.534 4.253 10 0 FIAELP [NH3+][C@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000095077388 209018123 /nfs/dbraw/zinc/01/81/23/209018123.db2.gz DHPBNFYRMYNVQO-DLBZAZTESA-N 2 2 354.885 4.420 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000247769983 1092702414 /nfs/dbraw/zinc/70/24/14/1092702414.db2.gz OUVCSXSZYKUAHR-HZPDHXFCSA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000247769983 1092702427 /nfs/dbraw/zinc/70/24/27/1092702427.db2.gz OUVCSXSZYKUAHR-HZPDHXFCSA-N 2 2 374.916 4.071 10 0 FIAELP Cc1ccc(N2CCC([NH2+][C@@H](C)c3nc4c(s3)CCCC4)CC2)[nH+]c1 ZINC000091727817 1102410879 /nfs/dbraw/zinc/41/08/79/1102410879.db2.gz RTJSRXLJYPCSRI-HNNXBMFYSA-N 2 2 356.539 4.045 10 0 FIAELP C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875664 524057604 /nfs/dbraw/zinc/05/76/04/524057604.db2.gz ZTFSOEYIURBVBL-UHFFFAOYSA-N 2 2 371.706 4.404 10 0 FIAELP C[C@H](c1ccc2ccccc2c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128507 568720916 /nfs/dbraw/zinc/72/09/16/568720916.db2.gz LEHIFIPEKQZWIK-LJQANCHMSA-N 2 2 362.521 4.194 10 0 FIAELP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128507 568720919 /nfs/dbraw/zinc/72/09/19/568720919.db2.gz LEHIFIPEKQZWIK-LJQANCHMSA-N 2 2 362.521 4.194 10 0 FIAELP Clc1ccc(OCc2ccccc2)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000010314048 570699940 /nfs/dbraw/zinc/69/99/40/570699940.db2.gz PTCDIRZVCHAGHJ-UHFFFAOYSA-N 2 2 355.869 4.295 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 ZINC000328633555 571325381 /nfs/dbraw/zinc/32/53/81/571325381.db2.gz MDVSYMTULHYHOG-YJBOKZPZSA-N 2 2 367.390 4.022 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2C(F)(F)F)[C@@H]1c1cccnc1 ZINC000328633555 571325382 /nfs/dbraw/zinc/32/53/82/571325382.db2.gz MDVSYMTULHYHOG-YJBOKZPZSA-N 2 2 367.390 4.022 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000247769980 1092702017 /nfs/dbraw/zinc/70/20/17/1092702017.db2.gz OUVCSXSZYKUAHR-CVEARBPZSA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000247769980 1092702028 /nfs/dbraw/zinc/70/20/28/1092702028.db2.gz OUVCSXSZYKUAHR-CVEARBPZSA-N 2 2 374.916 4.071 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000247920384 1099395006 /nfs/dbraw/zinc/39/50/06/1099395006.db2.gz BCOUIUQHGDRLRI-BIENJYKASA-N 2 2 363.427 4.060 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000247920384 1099395015 /nfs/dbraw/zinc/39/50/15/1099395015.db2.gz BCOUIUQHGDRLRI-BIENJYKASA-N 2 2 363.427 4.060 10 0 FIAELP CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1NC1CC[NH2+]CC1 ZINC000073662992 208188890 /nfs/dbraw/zinc/18/88/90/208188890.db2.gz XTKDMEXFIXTRBB-UHFFFAOYSA-N 2 2 364.415 4.197 10 0 FIAELP C[N+]1=C(C=C2C=C3C=C(C=C4SCC[N@H+]4C)CC[C@@H]3CC2)SCC1 ZINC000039440250 208312579 /nfs/dbraw/zinc/31/25/79/208312579.db2.gz NMHCUPVPTDIUMM-UHFFFAOYSA-N 2 2 359.584 4.277 10 0 FIAELP C[N+]1=C(C=C2C=C3C=C(C=C4SCC[N@@H+]4C)CC[C@@H]3CC2)SCC1 ZINC000039440250 208312582 /nfs/dbraw/zinc/31/25/82/208312582.db2.gz NMHCUPVPTDIUMM-UHFFFAOYSA-N 2 2 359.584 4.277 10 0 FIAELP CCc1c(C)[nH+]c(-c2ccc(C(F)(F)F)cc2)nc1N[C@H]1CCC[NH2+]C1 ZINC000073685282 208190389 /nfs/dbraw/zinc/19/03/89/208190389.db2.gz QXDDANOWSWTHRJ-HNNXBMFYSA-N 2 2 364.415 4.197 10 0 FIAELP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935983 570953690 /nfs/dbraw/zinc/95/36/90/570953690.db2.gz IOMDCDAPIRPLQY-FQEVSTJZSA-N 2 2 358.913 4.493 10 0 FIAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935983 570953691 /nfs/dbraw/zinc/95/36/91/570953691.db2.gz IOMDCDAPIRPLQY-FQEVSTJZSA-N 2 2 358.913 4.493 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628417 571325005 /nfs/dbraw/zinc/32/50/05/571325005.db2.gz HFFHCSNWRCFRMJ-FKVLARQCSA-N 2 2 353.485 4.139 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628417 571325006 /nfs/dbraw/zinc/32/50/06/571325006.db2.gz HFFHCSNWRCFRMJ-FKVLARQCSA-N 2 2 353.485 4.139 10 0 FIAELP [NH3+][C@H]1CCCC[C@H]1Nc1[nH+]c2ccccc2n1Cc1ccccc1Cl ZINC000095077404 209017919 /nfs/dbraw/zinc/01/79/19/209017919.db2.gz NLRDNKMCCCAUFU-DLBZAZTESA-N 2 2 354.885 4.420 10 0 FIAELP Cc1cc(Br)ccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2)o1 ZINC000010314134 570699762 /nfs/dbraw/zinc/69/97/62/570699762.db2.gz ZBTNNOOWQSZKET-UHFFFAOYSA-N 2 2 374.282 4.394 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H]1c1cccnc1 ZINC000328622343 571324531 /nfs/dbraw/zinc/32/45/31/571324531.db2.gz BDTFIVWVPSVYLU-AVRDEDQJSA-N 2 2 363.461 4.250 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H]1c1cccnc1 ZINC000328622343 571324532 /nfs/dbraw/zinc/32/45/32/571324532.db2.gz BDTFIVWVPSVYLU-AVRDEDQJSA-N 2 2 363.461 4.250 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc2ccccc2n1 ZINC000178404286 1101531361 /nfs/dbraw/zinc/53/13/61/1101531361.db2.gz UNWSOFXARFUMRA-LQWHRVPQSA-N 2 2 360.505 4.191 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc2ccccc2n1 ZINC000178404286 1101531373 /nfs/dbraw/zinc/53/13/73/1101531373.db2.gz UNWSOFXARFUMRA-LQWHRVPQSA-N 2 2 360.505 4.191 10 0 FIAELP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402017 1102388224 /nfs/dbraw/zinc/38/82/24/1102388224.db2.gz XIJJJXHOOOSSNH-GAJHUEQPSA-N 2 2 365.521 4.357 10 0 FIAELP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000126126988 1102697764 /nfs/dbraw/zinc/69/77/64/1102697764.db2.gz DLHXCQXCAVNPIQ-CBQOVEMMSA-N 2 2 352.526 4.064 10 0 FIAELP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccn1 ZINC000126126988 1102697775 /nfs/dbraw/zinc/69/77/75/1102697775.db2.gz DLHXCQXCAVNPIQ-CBQOVEMMSA-N 2 2 352.526 4.064 10 0 FIAELP C[C@H](C[NH2+]C1CC(c2ccccc2Br)C1)[NH+]1CCCCC1 ZINC000038028933 211358828 /nfs/dbraw/zinc/35/88/28/211358828.db2.gz FUXPDSTZUSGMMR-QQFBHYJXSA-N 2 2 351.332 4.159 10 0 FIAELP Fc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000010314052 570699922 /nfs/dbraw/zinc/69/99/22/570699922.db2.gz NWXUNBYWXYPKEG-UHFFFAOYSA-N 2 2 373.859 4.435 10 0 FIAELP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402021 1102388139 /nfs/dbraw/zinc/38/81/39/1102388139.db2.gz XIJJJXHOOOSSNH-SBUREZEXSA-N 2 2 365.521 4.357 10 0 FIAELP COc1ccc([C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402022 1102388409 /nfs/dbraw/zinc/38/84/09/1102388409.db2.gz XIJJJXHOOOSSNH-HXOBKFHXSA-N 2 2 365.521 4.357 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)[C@@H]1c1cccnc1 ZINC000328622373 210114130 /nfs/dbraw/zinc/11/41/30/210114130.db2.gz BFSPVMRHSZTEIX-UWJYYQICSA-N 2 2 366.896 4.066 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc3cccnc32)[C@@H]1c1cccnc1 ZINC000328622373 210114132 /nfs/dbraw/zinc/11/41/32/210114132.db2.gz BFSPVMRHSZTEIX-UWJYYQICSA-N 2 2 366.896 4.066 10 0 FIAELP Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)[nH]1 ZINC000162556065 568039067 /nfs/dbraw/zinc/03/90/67/568039067.db2.gz CQWSOQXFVIZPBY-QVKFZJNVSA-N 2 2 372.476 4.047 10 0 FIAELP CCCC[NH+](CCCC)CCC[NH2+]Cc1cccc(OC)c1OCC ZINC000013733669 211052996 /nfs/dbraw/zinc/05/29/96/211052996.db2.gz JFPWJTRZGPBTRO-UHFFFAOYSA-N 2 2 350.547 4.476 10 0 FIAELP Cc1cc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3)o2)ccc1Br ZINC000010314133 570700017 /nfs/dbraw/zinc/70/00/17/570700017.db2.gz KXXJBXHPEJVVES-UHFFFAOYSA-N 2 2 374.282 4.394 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000106215136 1091703544 /nfs/dbraw/zinc/70/35/44/1091703544.db2.gz OUVCSXSZYKUAHR-HOTGVXAUSA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000106215136 1091703551 /nfs/dbraw/zinc/70/35/51/1091703551.db2.gz OUVCSXSZYKUAHR-HOTGVXAUSA-N 2 2 374.916 4.071 10 0 FIAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246848669 1099376462 /nfs/dbraw/zinc/37/64/62/1099376462.db2.gz APEZVSAIVCJTLW-XMSQKQJNSA-N 2 2 374.488 4.072 10 0 FIAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246848669 1099376472 /nfs/dbraw/zinc/37/64/72/1099376472.db2.gz APEZVSAIVCJTLW-XMSQKQJNSA-N 2 2 374.488 4.072 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2ccccc2n1 ZINC000178404299 1101532220 /nfs/dbraw/zinc/53/22/20/1101532220.db2.gz UNWSOFXARFUMRA-WFXMLNOXSA-N 2 2 360.505 4.191 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2ccccc2n1 ZINC000178404299 1101532228 /nfs/dbraw/zinc/53/22/28/1101532228.db2.gz UNWSOFXARFUMRA-WFXMLNOXSA-N 2 2 360.505 4.191 10 0 FIAELP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)C2CC2)cc1 ZINC000091402018 1102387110 /nfs/dbraw/zinc/38/71/10/1102387110.db2.gz XIJJJXHOOOSSNH-UZUQRXQVSA-N 2 2 365.521 4.357 10 0 FIAELP Cc1c(C[NH2+]CC[NH+](C)C)c2ccccc2n1Cc1ccccc1Cl ZINC000020477617 211281200 /nfs/dbraw/zinc/28/12/00/211281200.db2.gz LBZCODVXBYISGW-UHFFFAOYSA-N 2 2 355.913 4.303 10 0 FIAELP [NH3+][C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2ccccc2Cl)CC1 ZINC000100278647 222240599 /nfs/dbraw/zinc/24/05/99/222240599.db2.gz BKFBGRRNKZEUNF-IYBDPMFKSA-N 2 2 354.885 4.420 10 0 FIAELP [NH3+][C@H]1CC[C@H](Nc2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000100278630 222240826 /nfs/dbraw/zinc/24/08/26/222240826.db2.gz YBJUAFSVHUNOMP-CALCHBBNSA-N 2 2 354.885 4.420 10 0 FIAELP CCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073684930 523821858 /nfs/dbraw/zinc/82/18/58/523821858.db2.gz MOWCRPDXINNACU-ZDUSSCGKSA-N 2 2 364.415 4.136 10 0 FIAELP Cc1cc(-c2ccc(C[NH2+]CCC[NH+](C)C)o2)ccc1Br ZINC000020875803 526039541 /nfs/dbraw/zinc/03/95/41/526039541.db2.gz SHAJMDBTMUHHRL-UHFFFAOYSA-N 2 2 351.288 4.059 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000106215227 1091704063 /nfs/dbraw/zinc/70/40/63/1091704063.db2.gz IRFDRUOADCMMTR-DOTOQJQBSA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C1 ZINC000106215227 1091704069 /nfs/dbraw/zinc/70/40/69/1091704069.db2.gz IRFDRUOADCMMTR-DOTOQJQBSA-N 2 2 374.916 4.071 10 0 FIAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935981 211371041 /nfs/dbraw/zinc/37/10/41/211371041.db2.gz IOMDCDAPIRPLQY-HXUWFJFHSA-N 2 2 358.913 4.493 10 0 FIAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000022935981 211371044 /nfs/dbraw/zinc/37/10/44/211371044.db2.gz IOMDCDAPIRPLQY-HXUWFJFHSA-N 2 2 358.913 4.493 10 0 FIAELP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000015066157 211117413 /nfs/dbraw/zinc/11/74/13/211117413.db2.gz LZKMQDJSMQRNSQ-WOJBJXKFSA-N 2 2 358.551 4.021 10 0 FIAELP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]([NH+]2CCCCCC2)[C@H](O)C1 ZINC000015066157 211117420 /nfs/dbraw/zinc/11/74/20/211117420.db2.gz LZKMQDJSMQRNSQ-WOJBJXKFSA-N 2 2 358.551 4.021 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccc2ccccc2n1 ZINC000248170029 1099397210 /nfs/dbraw/zinc/39/72/10/1099397210.db2.gz UNWSOFXARFUMRA-LVCYWYKZSA-N 2 2 360.505 4.191 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccc2ccccc2n1 ZINC000248170029 1099397220 /nfs/dbraw/zinc/39/72/20/1099397220.db2.gz UNWSOFXARFUMRA-LVCYWYKZSA-N 2 2 360.505 4.191 10 0 FIAELP CCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073684927 523821761 /nfs/dbraw/zinc/82/17/61/523821761.db2.gz MOWCRPDXINNACU-CYBMUJFWSA-N 2 2 364.415 4.136 10 0 FIAELP Cc1ccc(N2CCC([NH2+][C@H](C)c3nc4c(s3)CCCC4)CC2)[nH+]c1 ZINC000091727818 1102410027 /nfs/dbraw/zinc/41/00/27/1102410027.db2.gz RTJSRXLJYPCSRI-OAHLLOKOSA-N 2 2 356.539 4.045 10 0 FIAELP CC[NH+](CC)CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000013734575 211055500 /nfs/dbraw/zinc/05/55/00/211055500.db2.gz ARCIBQLFFWDYTH-UHFFFAOYSA-N 2 2 370.537 4.404 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000106215134 1091704334 /nfs/dbraw/zinc/70/43/34/1091704334.db2.gz OUVCSXSZYKUAHR-JKSUJKDBSA-N 2 2 374.916 4.071 10 0 FIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C1 ZINC000106215134 1091704342 /nfs/dbraw/zinc/70/43/42/1091704342.db2.gz OUVCSXSZYKUAHR-JKSUJKDBSA-N 2 2 374.916 4.071 10 0 FIAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246848664 1099376270 /nfs/dbraw/zinc/37/62/70/1099376270.db2.gz APEZVSAIVCJTLW-PGRDOPGGSA-N 2 2 374.488 4.072 10 0 FIAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246848664 1099376284 /nfs/dbraw/zinc/37/62/84/1099376284.db2.gz APEZVSAIVCJTLW-PGRDOPGGSA-N 2 2 374.488 4.072 10 0 FIAELP CCc1[nH]c(C[N@@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c(C)[nH+]1 ZINC000065525690 221229295 /nfs/dbraw/zinc/22/92/95/221229295.db2.gz HCZZAZPBOBCWAC-SFHVURJKSA-N 2 2 362.477 4.038 10 0 FIAELP CCc1[nH]c(C[N@H+]2CC[C@H](c3ccnc(-c4cccc(O)c4)c3)C2)c(C)[nH+]1 ZINC000065525690 221229297 /nfs/dbraw/zinc/22/92/97/221229297.db2.gz HCZZAZPBOBCWAC-SFHVURJKSA-N 2 2 362.477 4.038 10 0 FIAELP [NH3+][C@@H]1CCCC[C@@H]1Nc1[nH+]c2ccccc2n1Cc1cccc(Cl)c1 ZINC000095077371 221844843 /nfs/dbraw/zinc/84/48/43/221844843.db2.gz CLINQFBKYATLRW-SJORKVTESA-N 2 2 354.885 4.420 10 0 FIAELP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000247945347 1099395498 /nfs/dbraw/zinc/39/54/98/1099395498.db2.gz DLHXCQXCAVNPIQ-DWLFOUALSA-N 2 2 352.526 4.064 10 0 FIAELP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccn1 ZINC000247945347 1099395514 /nfs/dbraw/zinc/39/55/14/1099395514.db2.gz DLHXCQXCAVNPIQ-DWLFOUALSA-N 2 2 352.526 4.064 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2ccccc2n1 ZINC000248170026 1099396921 /nfs/dbraw/zinc/39/69/21/1099396921.db2.gz UNWSOFXARFUMRA-BBTUJRGHSA-N 2 2 360.505 4.191 10 0 FIAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccc2ccccc2n1 ZINC000248170026 1099396933 /nfs/dbraw/zinc/39/69/33/1099396933.db2.gz UNWSOFXARFUMRA-BBTUJRGHSA-N 2 2 360.505 4.191 10 0 FIAELP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106163838 1102472102 /nfs/dbraw/zinc/47/21/02/1102472102.db2.gz NIVADVGXFNBGRW-CQSZACIVSA-N 2 2 373.451 4.181 10 0 FIAELP CC(C)c1cc(N2CCC([NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073663212 535369521 /nfs/dbraw/zinc/36/95/21/535369521.db2.gz NAOPQKBOKYHEGA-UHFFFAOYSA-N 2 2 364.415 4.213 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000126201801 1102700583 /nfs/dbraw/zinc/70/05/83/1102700583.db2.gz BCOUIUQHGDRLRI-NJSLBKSFSA-N 2 2 363.427 4.060 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000126201801 1102700595 /nfs/dbraw/zinc/70/05/95/1102700595.db2.gz BCOUIUQHGDRLRI-NJSLBKSFSA-N 2 2 363.427 4.060 10 0 FIAELP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628420 529794376 /nfs/dbraw/zinc/79/43/76/529794376.db2.gz HFFHCSNWRCFRMJ-UVUJQTEASA-N 2 2 353.485 4.139 10 0 FIAELP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000328628420 529794378 /nfs/dbraw/zinc/79/43/78/529794378.db2.gz HFFHCSNWRCFRMJ-UVUJQTEASA-N 2 2 353.485 4.139 10 0 FIAELP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000246591132 1099369410 /nfs/dbraw/zinc/36/94/10/1099369410.db2.gz ZIJHVEJSKPJCGR-CEXWTWQISA-N 2 2 367.537 4.397 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000126276019 1102701091 /nfs/dbraw/zinc/70/10/91/1102701091.db2.gz AXABPDILWFPPKY-BXWFABGCSA-N 2 2 366.534 4.253 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1cnc2ccsc2c1 ZINC000126276019 1102701106 /nfs/dbraw/zinc/70/11/06/1102701106.db2.gz AXABPDILWFPPKY-BXWFABGCSA-N 2 2 366.534 4.253 10 0 FIAELP [NH3+]CCCCCNc1c(C(=O)C(F)(F)F)c[nH+]c2cc(Cl)ccc21 ZINC000097757695 263431913 /nfs/dbraw/zinc/43/19/13/263431913.db2.gz SZLFMJAMAXGUDD-UHFFFAOYSA-N 2 2 359.779 4.174 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000126201567 1102700229 /nfs/dbraw/zinc/70/02/29/1102700229.db2.gz BCOUIUQHGDRLRI-TYILLQQXSA-N 2 2 363.427 4.060 10 0 FIAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000126201567 1102700244 /nfs/dbraw/zinc/70/02/44/1102700244.db2.gz BCOUIUQHGDRLRI-TYILLQQXSA-N 2 2 363.427 4.060 10 0 FIAELP Clc1ccc(COc2cccc(C[NH2+]CCCn3cc[nH+]c3)c2)cc1 ZINC000010314018 570699753 /nfs/dbraw/zinc/69/97/53/570699753.db2.gz KSGFWKBZBPNRSJ-UHFFFAOYSA-N 2 2 355.869 4.295 10 0 FIAELP CC[NH+](CC)CCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000013734180 220091265 /nfs/dbraw/zinc/09/12/65/220091265.db2.gz LBSIMSVMLMMFFZ-UHFFFAOYSA-N 2 2 374.500 4.235 10 0 FIAELP COc1cccc(Nc2[nH+]c([C@H]3CCC[NH2+]C3)c3sc(C)c(C)n23)c1 ZINC000019561751 220272984 /nfs/dbraw/zinc/27/29/84/220272984.db2.gz WZRPIGLRFFEJJK-AWEZNQCLSA-N 2 2 356.495 4.232 10 0 FIAELP [NH3+]C1CCC(Nc2[nH+]c3ccccc3n2Cc2cccc(Cl)c2)CC1 ZINC000095077192 221844790 /nfs/dbraw/zinc/84/47/90/221844790.db2.gz RUJDHWVTBIVXMV-UHFFFAOYSA-N 2 2 354.885 4.420 10 0 FIAELP Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c2ccccc2)[nH]1 ZINC000162555955 568038957 /nfs/dbraw/zinc/03/89/57/568038957.db2.gz CQWSOQXFVIZPBY-BTYIYWSLSA-N 2 2 372.476 4.047 10 0 FIAELP Clc1ccccc1COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000010313984 570699797 /nfs/dbraw/zinc/69/97/97/570699797.db2.gz DTHBTVSZDIPHKJ-UHFFFAOYSA-N 2 2 355.869 4.295 10 0 FIAELP CCCc1cc(N2CCC([NH3+])CC2)nc(-c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000073663215 132376726 /nfs/dbraw/zinc/37/67/26/132376726.db2.gz VXBBJALDGUQNPO-UHFFFAOYSA-N 2 2 364.415 4.042 10 0 FIAELP