smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CCn1c2nc3c(c(=O)n(C)c(=O)n3C)n2c2ncccc2c1=O ZINC000001645478 212251913 /nfs/dbraw/zinc/25/19/13/212251913.db2.gz GIHXMCKNJAOPJQ-UHFFFAOYSA-N 0 3 397.439 -0.063 1 5 GBBFHN