smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]ccn1CC(=O)N1CCCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000218730212 570339694 /nfs/dbraw/zinc/33/96/94/570339694.db2.gz KYMLPEARSFLUOH-UHFFFAOYSA-N 1 1 385.490 -0.443 50 70 GBIAMO