smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C=C2C(=O)[N-]C(=S)NC2=O)CC1 ZINC000004702750 170001904 /nfs/dbraw/zinc/00/19/04/170001904.db2.gz WBEVPUYUBGRDGT-UHFFFAOYSA-N -1 3 254.315 -1.351 10 10 CACEHM