smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-]CC(C)(C)CO)c(=O)n(C)c1=O ZINC000160355929 545861768 /nfs/dbraw/zinc/86/17/68/545861768.db2.gz KEIJOQKXEQWAFE-UHFFFAOYSA-N -1 1 305.356 -1.619 20 70 DAIDMM