smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@H]1CN(Cc1cccnc1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020608759 558389201 /nfs/dbraw/zinc/38/92/01/558389201.db2.gz RNKVOEYRZFRAMG-FQEVSTJZSA-N 1 3 417.667 3.552 10 0 HHAEHO CCN1CCC[C@@H]1CN(Cc1cccnc1)C(=S)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020608758 558389061 /nfs/dbraw/zinc/38/90/61/558389061.db2.gz RNKVOEYRZFRAMG-HXUWFJFHSA-N 1 3 417.667 3.552 10 0 HHAEHO