smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1C[C@]2(O)[C@@H](C[C@@H](O)[C@@H](O)[C@H]2O)N1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000008690105 562963159 /nfs/dbraw/zinc/96/31/59/562963159.db2.gz YJXAOCNLLKCKPC-QDRUEPRISA-N 1 0 435.521 -1.228 1 10 IACFRO