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@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000160232474 546020673 /nfs/dbraw/zinc/02/06/73/546020673.db2.gz XRHGUBRRZFBYPL-QRQLOZEOSA-N 0 2 367.497 2.370 10 70 FEIELN