smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000004744486 201616658 /nfs/dbraw/zinc/61/66/58/201616658.db2.gz SBTMKAMRSWOVAE-UHFFFAOYSA-N 2 1 332.448 2.197 50 5 EEBAMP CC[NH+]1CCN(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000004744488 210267023 /nfs/dbraw/zinc/26/70/23/210267023.db2.gz MPLNMBPECGBKNB-UHFFFAOYSA-N 2 1 332.448 2.197 50 5 EEBAMP