smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@H](O)C[NH2+]CC[N+](=O)[O-] 905347195 582648047 /nfs/dbraw/zinc/64/80/47/582648047.db2.gz WAOPHTRRXLLIOJ-SSDOTTSWSA-N 2 2 191.231 -1.225 20 5 AABDLP C[NH+](C)C[C@@H](O)C[NH2+]CC[N+](=O)[O-] 905347196 582648108 /nfs/dbraw/zinc/64/81/08/582648108.db2.gz WAOPHTRRXLLIOJ-ZETCQYMHSA-N 2 2 191.231 -1.225 20 5 AABDLP