smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCn1c(=O)c([C@@H]2c3ccccc3CCN2C(C)=O)c(O)[nH]c1=S ZINC000101009133 209220679 /nfs/dbraw/zinc/22/06/79/209220679.db2.gz JJEKPADKTMZJJQ-INIZCTEOSA-N -2 2 373.478 2.906 50 0 FFAALL