smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC[C@@H]([C@@H]2CCC[N@@H+]2C)C1 26826130 171045709 /nfs/dbraw/zinc/04/57/09/171045709.db2.gz LGMQKWYKBNHSOY-MNOVXSKESA-N 2 1 182.311 1.422 1 0 ADAFMP C[NH+]1CCC[C@H]1[C@@H]1CCC[N@H+](C)C1 26826130 171045711 /nfs/dbraw/zinc/04/57/11/171045711.db2.gz LGMQKWYKBNHSOY-MNOVXSKESA-N 2 1 182.311 1.422 1 0 ADAFMP C[NH+]1CCC[C@H]1[C@@H]1CCC[N@@H+](C)C1 26826130 171045712 /nfs/dbraw/zinc/04/57/12/171045712.db2.gz LGMQKWYKBNHSOY-MNOVXSKESA-N 2 1 182.311 1.422 1 0 ADAFMP C[NH+]1CC=C([C@@H]2CCC[N@@H+]2C)CC1 27846430 171046655 /nfs/dbraw/zinc/04/66/55/171046655.db2.gz FPYMUCXYWHQKRC-NSHDSACASA-N 2 1 180.295 1.343 1 0 ADAFMP C[NH+]1CCC[C@H]1C1=CC[N@H+](C)CC1 27846430 171046657 /nfs/dbraw/zinc/04/66/57/171046657.db2.gz FPYMUCXYWHQKRC-NSHDSACASA-N 2 1 180.295 1.343 1 0 ADAFMP C[NH+]1CCC[C@H]1C1=CC[N@@H+](C)CC1 27846430 171046658 /nfs/dbraw/zinc/04/66/58/171046658.db2.gz FPYMUCXYWHQKRC-NSHDSACASA-N 2 1 180.295 1.343 1 0 ADAFMP C[NH+]1CC=C([C@H]2CCC[N@@H+]2C)CC1 27846438 171047035 /nfs/dbraw/zinc/04/70/35/171047035.db2.gz FPYMUCXYWHQKRC-LLVKDONJSA-N 2 1 180.295 1.343 1 0 ADAFMP C[NH+]1CCC[C@@H]1C1=CC[N@H+](C)CC1 27846438 171047038 /nfs/dbraw/zinc/04/70/38/171047038.db2.gz FPYMUCXYWHQKRC-LLVKDONJSA-N 2 1 180.295 1.343 1 0 ADAFMP C[NH+]1CCC[C@@H]1C1=CC[N@@H+](C)CC1 27846438 171047041 /nfs/dbraw/zinc/04/70/41/171047041.db2.gz FPYMUCXYWHQKRC-LLVKDONJSA-N 2 1 180.295 1.343 1 0 ADAFMP