smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]1(O)CC2(CC[NH+](Cc3cc(CC[NH3+])ccc3[O-])CC2)OC[C@@H]1n1ccc(N)nc1=O ZINC000257264355 568695371 /nfs/dbraw/zinc/69/53/71/568695371.db2.gz LUAUBZPBEMHWTF-UGKGYDQZSA-N 1 3 443.548 0.780 40 10 ICCBHO