smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C2CC[NH+](C)CC2)CCC3)cc1 ZINC000161488030 567944238 /nfs/dbraw/zinc/94/42/38/567944238.db2.gz HMXYGYDEHHBUNO-KRWDZBQOSA-N 2 1 357.523 3.880 20 70 FHIDMP COc1ccc(-c2nc3c(s2)[C@H]([NH2+]C2CC[NH+](C)CC2)CCC3)cc1 ZINC000161487902 567944281 /nfs/dbraw/zinc/94/42/81/567944281.db2.gz HMXYGYDEHHBUNO-QGZVFWFLSA-N 2 1 357.523 3.880 20 70 FHIDMP