smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)CO 169321754 169247942 /nfs/dbraw/zinc/24/79/42/169247942.db2.gz WCOLXSNPWKVRIZ-LURJTMIESA-N 2 2 169.184 -1.159 1 0 AAAFLP [NH3+]C[C@H]1[NH2+]C[C@@H](O)[C@@H]1O 26497100 169217946 /nfs/dbraw/zinc/21/79/46/169217946.db2.gz PTUICKYMXFZVGV-UOWFLXDJSA-N 2 2 132.163 -2.361 1 0 AAAFLP