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)(CCO)CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CCO)cc2)cc1 ZINC000001569538 557272865 /nfs/dbraw/zinc/27/28/65/557272865.db2.gz QBLLHPHWLVNVTJ-UHFFFAOYSA-N 2 0 414.546 1.856 40 30 HDEBRP O=C(CCCCCCC(=O)C[N+]12CCC(CC1)[C@H](O)C2)C[N+]12CCC(CC1)[C@H](O)C2 ZINC000001559960 557272224 /nfs/dbraw/zinc/27/22/24/557272224.db2.gz IMLPTDBPLZWUKB-PWMMUWCNSA-N 2 0 422.610 1.668 40 30 HDEBRP O=C(CCCCCCC(=O)C[N+]12CCC(CC1)[C@H](O)C2)C[N+]12CCC(CC1)[C@@H](O)C2 ZINC000018285766 526422361 /nfs/dbraw/zinc/42/23/61/526422361.db2.gz IMLPTDBPLZWUKB-LYXVACNNSA-N 2 0 422.610 1.668 40 30 HDEBRP O=C(CCCCCCC(=O)C[N+]12CCC(CC1)[C@@H](O)C2)C[N+]12CCC(CC1)[C@@H](O)C2 ZINC000001559961 526422693 /nfs/dbraw/zinc/42/26/93/526422693.db2.gz IMLPTDBPLZWUKB-LVJOOZFPSA-N 2 0 422.610 1.668 40 30 HDEBRP