smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(Oc2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1 ZINC000216941751 568469611 /nfs/dbraw/zinc/46/96/11/568469611.db2.gz LHVWEFGPPXLDFB-UHFFFAOYSA-N -1 3 415.342 4.267 40 70 HIIBHM