smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C(C#N)=CNc1n[nH]c2ccccc21 ZINC000217039440 266253809 /nfs/dbraw/zinc/25/38/09/266253809.db2.gz VRJCKTVRFLEWSL-HJWRWDBZSA-N 0 0 256.265 1.945 50 50 CDGARN