smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC=C(C[NH2+]CC[N+](=O)[O-])CC1 1120583233 757815231 /nfs/dbraw/zinc/81/52/31/757815231.db2.gz OXSHRVZWHLEWGM-UHFFFAOYSA-N 2 1 199.254 0.115 20 5 ACBDMP Cc1[nH+]ccn1CC[NH2+]CC[N+](=O)[O-] 905083456 582642298 /nfs/dbraw/zinc/64/22/98/582642298.db2.gz URHDVDIBZRBLSR-UHFFFAOYSA-N 2 1 198.226 0.058 20 5 ACBDMP