smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2C(=O)N[C@@H](CC(=O)NCC[NH+]3CCOCC3)C2=O)cc1 ZINC000218481706 570335274 /nfs/dbraw/zinc/33/52/74/570335274.db2.gz JLDWTSJRQREMBX-HNNXBMFYSA-N 1 2 376.413 -0.042 50 70 GBIALO CS(=O)(=O)N[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000218757024 570340335 /nfs/dbraw/zinc/34/03/35/570340335.db2.gz YWKHGEMQZWNRAD-FAAHXZRKSA-N 1 2 380.426 -0.041 50 70 GBIALO