smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)CC1 ZINC000216843013 241215320 /nfs/dbraw/zinc/21/53/20/241215320.db2.gz LRLSXFIZPGXBRH-UHFFFAOYSA-N -1 3 333.435 -0.006 40 70 EBIBHM