smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@H+](CCC[N+](C)(C)C)C2 ZINC000014947223 717111207 /nfs/dbraw/zinc/11/12/07/717111207.db2.gz IJYAXGWEXZSXQH-JLMWRMLUSA-N 2 1 373.517 2.317 1 5 FEBFMP