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)NCCCN2CCN(C)CC2)cc1C(=O)NC(C)C ZINC000216949925 568469700 /nfs/dbraw/zinc/46/97/00/568469700.db2.gz RJLGGAMZVJOFCV-UHFFFAOYSA-N 0 1 412.556 0.749 40 70 HCIBMN