smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCN(c3cc(N4CC[NH+](CCO)CC4)ccc3[N+](=O)[O-])CC2)c2ccccc2[nH+]1 ZINC000009720426 555452002 /nfs/dbraw/zinc/45/20/02/555452002.db2.gz FIHLVLBIZMFDLZ-UHFFFAOYSA-N 2 0 476.581 2.892 50 5 JFBARP