smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000022027494 484872972 /nfs/dbraw/zinc/87/29/72/484872972.db2.gz RJFOSXYKBWKAHL-UHFFFAOYSA-N 1 2 358.420 -0.041 40 5 FBBBLO