smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)NC(=O)C1=CN1CCN(C=C2C(=O)[N-]C(=S)NC2=O)CC1 ZINC000016138139 207073587 /nfs/dbraw/zinc/07/35/87/207073587.db2.gz CLKSREQBTFPIID-UHFFFAOYSA-N -2 3 394.438 -2.566 50 10 GACAHL