smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NNC(=O)C(=O)[O-] 4416540 948767744 /nfs/dbraw/zinc/76/77/44/948767744.db2.gz UXWAJSLYHVAVKJ-UHFFFAOYSA-N -1 0 104.065 -1.939 50 50 AAGARM NNC(=O)Cc1nn[n-]n1 90613053 1423845985 /nfs/dbraw/zinc/84/59/85/1423845985.db2.gz TWKUAKLZOIABHJ-UHFFFAOYSA-N -1 0 142.122 -2.268 50 50 in-vitro AAGARM NNC(=O)c1nnn[n-]1 87440379 1424105719 /nfs/dbraw/zinc/10/57/19/1424105719.db2.gz ZQMQZFYZVHJLQA-UHFFFAOYSA-N -1 0 128.095 -2.197 50 50 AAGARM