smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NN=C1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000794858596 717191178 /nfs/dbraw/zinc/19/11/78/717191178.db2.gz OTKDROOPPDQXPH-INIZCTEOSA-O 1 0 336.887 3.566 20 50 EHGDRO Cc1cc(C=NNC(=O)C[N+](C)(C)C)c2c(C)ccc(C(C)C)cc1-2 ZINC000916270685 717193354 /nfs/dbraw/zinc/19/33/54/717193354.db2.gz NPVVXQOBJPOUHD-UHFFFAOYSA-O 1 0 340.491 3.688 20 50 EHGDRO C[N+](C)(C)CC(=O)NN=C1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000794858597 717190854 /nfs/dbraw/zinc/19/08/54/717190854.db2.gz OTKDROOPPDQXPH-MRXNPFEDSA-O 1 0 336.887 3.566 20 50 EHGDRO