smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC1=NS(=O)(=O)c2ccccc2N1C ZINC000015444413 136378857 /nfs/dbraw/zinc/37/88/57/136378857.db2.gz JIFYULWQAAEYQL-UHFFFAOYSA-N 0 0 251.311 0.957 30 30 CCECRN