smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCCN(CCC[NH3+])N(O)N=O ZINC000073369075 181376392 /nfs/dbraw/zinc/37/63/92/181376392.db2.gz CVSGWKUBXQQGOE-ZRDIBKRKSA-N 2 0 205.262 -0.357 1 10 BBCFRP