smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21 ZINC000218081410 568474974 /nfs/dbraw/zinc/47/49/74/568474974.db2.gz VSQLAKXXNNBBMF-FVBVUHMPSA-N 1 1 417.597 4.533 40 70 HJIBMO CN(CCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000218078999 568475072 /nfs/dbraw/zinc/47/50/72/568475072.db2.gz KTONXAQPYWQART-UHFFFAOYSA-N 1 1 413.565 4.501 40 70 HJIBMO Cn1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21 ZINC000218081315 568475024 /nfs/dbraw/zinc/47/50/24/568475024.db2.gz VSQLAKXXNNBBMF-FVJFVQOASA-N 1 1 417.597 4.533 40 70 HJIBMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2 ZINC000217484371 568472264 /nfs/dbraw/zinc/47/22/64/568472264.db2.gz FOMDFGUQTIWHEP-VQHSRYPXSA-N 1 1 410.396 4.528 40 70 HJIBMO COc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000218077976 568474967 /nfs/dbraw/zinc/47/49/67/568474967.db2.gz UENFPQQRFRSLHU-UHFFFAOYSA-N 1 1 400.522 4.526 40 70 HJIBMO