smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868914 721189101 /nfs/dbraw/zinc/18/91/01/721189101.db2.gz OZJIVJFZIWXIRR-LEWJYISDSA-N 1 1 500.006 4.129 20 0 KIADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868936 721188764 /nfs/dbraw/zinc/18/87/64/721188764.db2.gz OZJIVJFZIWXIRR-NHCUHLMSSA-N 1 1 500.006 4.129 20 0 KIADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868939 721188528 /nfs/dbraw/zinc/18/85/28/721188528.db2.gz OZJIVJFZIWXIRR-RTWAWAEBSA-N 1 1 500.006 4.129 20 0 KIADMO Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868941 721188797 /nfs/dbraw/zinc/18/87/97/721188797.db2.gz OZJIVJFZIWXIRR-SFTDATJTSA-N 1 1 500.006 4.129 20 0 KIADMO