smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](C)CCN=CNc1sc2c(c1C#N)CC(C)(C)[NH2+]C2(C)C ZINC000005951840 493946116 /nfs/dbraw/zinc/94/61/16/493946116.db2.gz LQNGDUGQQHAQKR-UHFFFAOYSA-N 2 1 361.559 3.370 40 30 FGEBMP