smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCCC[NH+](C)C)c2cc3ccc4cccc5ccc(c2[nH+]1)c3c45 ZINC000001573592 570502112 /nfs/dbraw/zinc/50/21/12/570502112.db2.gz UFACKJKXGIGNDW-UHFFFAOYSA-N 2 0 367.496 5.804 40 5 FKBBRP C[N+](C)(CCCCCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 ZINC000001702145 204017191 /nfs/dbraw/zinc/01/71/91/204017191.db2.gz CZZFJNRLJJVUIP-UHFFFAOYSA-N 2 0 354.582 5.100 40 5 FKBBRP CC[N+](C)(CCCCC[N+](CC)(CC)CC)Cc1cc2ccccc2o1 ZINC000001779326 570643044 /nfs/dbraw/zinc/64/30/44/570643044.db2.gz DUTWIOAGRGMUTI-UHFFFAOYSA-N 2 0 360.586 5.446 40 5 FKBBRP CC[N+](C)(C)CCCCCCC[N+](C)(CC)Cc1cc2ccccc2o1 ZINC000001832958 219419567 /nfs/dbraw/zinc/41/95/67/219419567.db2.gz MFAMZDZNRDRJJE-UHFFFAOYSA-N 2 0 360.586 5.446 40 5 FKBBRP CCCCCC[N+](C)(CCCCCC)CC[N+]1(C)C[C@H]2CCCC[C@@H]2C1 ZINC000004727007 207042106 /nfs/dbraw/zinc/04/21/06/207042106.db2.gz PGONTIIDIHNYKX-DNQXCXABSA-N 2 0 366.678 5.860 40 5 FKBBRP CCCCCC[N+](C)(CCCCCC)CC[N+]1(C)C[C@@H]2CCCC[C@H]2C1 ZINC000004727008 207041592 /nfs/dbraw/zinc/04/15/92/207041592.db2.gz PGONTIIDIHNYKX-ZEQRLZLVSA-N 2 0 366.678 5.860 40 5 FKBBRP C[N+]1(CCCCCCCCCC[N+]2(C)CCCCCC2)CCCCCC1 ZINC000004747933 570605249 /nfs/dbraw/zinc/60/52/49/570605249.db2.gz AYQVTVJCMWTORZ-UHFFFAOYSA-N 2 0 366.678 6.148 40 5 FKBBRP CC[N+](C)(C)CCCCCCCC[N+](C)(CC)Cc1cc2ccccc2o1 ZINC000004822088 570911913 /nfs/dbraw/zinc/91/19/13/570911913.db2.gz GBDMFCKZILLFIP-UHFFFAOYSA-N 2 0 374.613 5.836 40 5 FKBBRP CC[N+]1(CCCCCCCCCC[N+]2(CC)CCCCC2)CCCCC1 ZINC000005469475 204210794 /nfs/dbraw/zinc/21/07/94/204210794.db2.gz CUFRUXZJKBYOIW-UHFFFAOYSA-N 2 0 366.678 6.148 40 5 FKBBRP C[N+]1(CCCCCCCC[N+]2(C)CCCCCCC2)CCCCCCC1 ZINC000006519751 570648444 /nfs/dbraw/zinc/64/84/44/570648444.db2.gz HCAJJNWLSZYNCI-UHFFFAOYSA-N 2 0 366.678 6.148 40 5 FKBBRP CCCCCC[N+](C)(CCCCCC)CC[N+]1(C)C[C@@H]2CCCC[C@@H]2C1 ZINC000017315732 207617755 /nfs/dbraw/zinc/61/77/55/207617755.db2.gz PGONTIIDIHNYKX-MAOIWGCQSA-N 2 0 366.678 5.860 40 5 FKBBRP