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](Cl)C[N+](C)(Cc1ccccc1[N+](=O)[O-])C[C@H](C)Cl ZINC000001638621 717088397 /nfs/dbraw/zinc/08/83/97/717088397.db2.gz KRYAAKUROZUYRW-HWRGOXINSA-N 1 0 320.240 3.796 40 50 DHGBRO C[C@H](Cl)C[N+](C)(Cc1ccccc1[N+](=O)[O-])C[C@H](C)Cl ZINC000001638623 717088642 /nfs/dbraw/zinc/08/86/42/717088642.db2.gz KRYAAKUROZUYRW-RYUDHWBXSA-N 1 0 320.240 3.796 40 50 DHGBRO C[C@@H](Cl)C[N+](C)(Cc1ccccc1[N+](=O)[O-])C[C@@H](C)Cl ZINC000001638622 717088503 /nfs/dbraw/zinc/08/85/03/717088503.db2.gz KRYAAKUROZUYRW-VXGBXAGGSA-N 1 0 320.240 3.796 40 50 DHGBRO