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-]c2nc3ccccc3nc2NN2CC[NH+](C)CC2)cn1 ZINC000217975942 568921806 /nfs/dbraw/zinc/92/18/06/568921806.db2.gz WTTUOHRWPGYTSO-UHFFFAOYSA-N 0 1 402.484 0.738 50 70 HCIAMN