smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)NC2CC2)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000514394972 1066230936 /nfs/dbraw/zinc/23/09/36/1066230936.db2.gz YGSCIGKZRYWXAQ-UHFFFAOYSA-N 0 2 531.634 0.958 20 0 KCADLN