smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1)N1CCCC1 ZINC000161048505 243198586 /nfs/dbraw/zinc/19/85/86/243198586.db2.gz NCGQHBULCOTAOB-CQSZACIVSA-N 1 2 361.450 -0.458 10 70 FBIELO O=C(C[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1)N1CCCC1 ZINC000161048625 243202184 /nfs/dbraw/zinc/20/21/84/243202184.db2.gz NCGQHBULCOTAOB-AWEZNQCLSA-N 1 2 361.450 -0.458 10 70 FBIELO