smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c3ccccc3[nH]c2c2cnccc12 ZINC000107504319 345753015 /nfs/dbraw/zinc/75/30/15/345753015.db2.gz NPZUOAPTHJWTPA-UHFFFAOYSA-N 0 1 232.286 4.178 10 5 BIBEMN