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values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
d795b3e540e557cae64e7ca3da273b23e246489d9ba456fdc459ef8024f9fb2d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,044 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'dL', 'dL', 'P', 'Y'] | 33 | 1045 | -5.79 | -5.79 | Circle | 6 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 139.0 | null | -5.84 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 59.00305902 | 712.4523483 | 0.745098039 | 1.156862745 | 1.607843137 | 0.684210526 | 141.0 | PEPTIDE1045{L.[dL].[dL].[dL].P.Y}$PEPTIDE1045,PEPTIDE1045,1:R1-6:R2$$$ | PEPTIDE1045{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1045,PEPTIDE1045,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1045 | null | null | 2.9e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.3125436 | 0.507966645 | 16.3125436 | 0.29309207 | 1.737066725 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Compound.1 | -5.79 | 2.44360442 | -1.286946541 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -5.79 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['PAMPA']] | [5] | [['-7.20']] | ['2006_Rezai_1'] | ['L', 'dL', 'dL', 'dL', 'P', 'Y'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Wang | 5 | null | 186.04 | null | 521.3100972 | 0.0 | 94.60777993 | -9.276643065 | -2.655514009 | -52.36769241 | -49.04933642 | -43.10535189 | -49.46333938 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
772b5c9d137d2682fd6e9951fb4d925e9bfede3b75045ddb3c2eee71080a81f8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,045 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'dL', 'dP', 'P', 'Y'] | 32 | 1046 | -7.05 | -7.05 | Circle | 4 | -1.36e-16 | -2.711847743 | -1.56e-16 | -2.886088662 | -9.69e-17 | -1.135599448 | 9.63e-16 | -0.249287768 | 2.894863195 | 3710.531461 | 137.0 | null | -7.0 | 85.59941163 | 80.04101961 | 24.04101961 | 45.77838586 | 40.25646686 | 12.55936419 | 8.593321105 | 8.593321105 | 5.195129317 | 5.195129317 | 3.296450741 | 3.296450741 | null | null | null | null | 260.8424886 | 22.09647099 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 54.89078335 | 696.4210481 | 0.76 | 1.22 | 1.76 | 0.675675676 | 161.0 | PEPTIDE1046{L.L.[dL].[dP].P.Y}$PEPTIDE1046,PEPTIDE1046,1:R1-6:R2$$$ | PEPTIDE1046{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1046,PEPTIDE1046,1:R1-6:R2$$$ | -4.16 | 50 | 640.442 | 1046 | null | null | 2.6699999999999996e+31 | 8.385361541 | 17.17313523 | 9.968503904 | 374.2068424 | null | 16.25736973 | 0.507966645 | 16.25736973 | 0.29309207 | 1.68795722 | 0.29309207 | -6.845455043 | -0.507966645 | 2.0078 | 187.3686 | 696.89 | Circle | 6 | 6 | null | 5 | 13 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 7 | 5 | 13 | 0 | 15 | 0 | 3 | 3 | 276 | Compound.2 | -7.05 | 3.4900369 | -1.562563864 | 36.14788107 | 41.85686664 | 5.647368313 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 79.94063627 | 75.56774507 | 13.70758556 | null | -7.05 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O | 109.432086 | 35.44307838 | 1.431199657 | 31.03907287 | 17.68187306 | 128.2021067 | 12.99371937 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'L', 'dL', 'dP', 'P', 'Y'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 20.31, 20.31, 49.33] | 21.23925341 | 0.0 | 5.749511833 | 0.0 | 100.8839799 | 35.14014801 | 17.68187306 | 161.1939649 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2015_Wang | 1046 | null | 177.25 | null | 488.8361956 | 0.0 | 92.20613751 | -6.199604141 | -2.58141056 | -45.15743097 | -47.54558444 | -47.10005842 | -43.70824458 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.27617818 | null |
e9804f693ba633911acaba9a19b938339d60f9e36f1aec49cbf07b0bdaf4e8f0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,046 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'dL', 'dL', 'L', 'P', 'Y'] | 33 | 1047 | -6.96 | -6.96 | Circle | 6 | -2.49e-16 | -2.716753673 | -1.91e-16 | -2.89458429 | -1.7e-16 | -1.135790365 | 5.65e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 156.0 | null | -6.85 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 59.00305902 | 712.4523483 | 0.745098039 | 1.156862745 | 1.607843137 | 0.684210526 | 153.0 | PEPTIDE1047{[dL].[dL].[dL].L.P.Y}$PEPTIDE1047,PEPTIDE1047,1:R1-6:R2$$$ | PEPTIDE1047{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1047,PEPTIDE1047,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1047 | null | null | 6.21e+32 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.3125436 | 0.507966645 | 16.3125436 | 0.29309207 | 1.737066725 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Compound.3 | -6.96 | 2.44360442 | -1.286946541 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.96 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dL', 'dL', 'dL', 'L', 'P', 'Y'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1047 | null | 186.04 | null | 521.3100972 | 0.0 | 94.60777993 | -9.276643065 | -2.655514009 | -52.36769241 | -49.04933642 | -43.10535189 | -49.46333938 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
e11d26c5b13ec5655d80eb8eedae4e0527d59fd1abe329c080cec91986f937d3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,050 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'meL', 'L', 'dP', 'Y'] | 34 | 1051 | -6.12 | -6.12 | Circle | 4 | -2.43e-16 | -2.72740215 | -1.66e-16 | -2.887980707 | -1.68e-16 | -1.136117169 | 3.94e-16 | -0.24928777 | 3.69598801 | 3907.527995 | 139.0 | null | -5.11 | 92.59941163 | 87.04101961 | 25.04101961 | 49.02838586 | 43.50646686 | 12.80936419 | 8.731517706 | 8.731517706 | 5.089924219 | 5.089924219 | 3.165124719 | 3.165124719 | null | null | null | null | 274.5462728 | 27.57950521 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 57.63230046 | 726.4679983 | 0.788461538 | 1.307692308 | 1.903846154 | 0.692307692 | 137.0 | PEPTIDE1051{L.[dL].[meL].L.[dP].Y}$PEPTIDE1051,PEPTIDE1051,1:R1-6:R2$$$ | PEPTIDE1051{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1051,PEPTIDE1051,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 1051 | null | null | 3.71e+35 | 8.391326645 | 19.0709996 | 11.94513776 | 396.3723808 | null | 16.61834109 | 0.507966645 | 16.61834109 | 0.29309207 | 1.759462558 | 0.29309207 | -7.216317499 | -0.507966645 | 2.8899 | 198.6466 | 726.96 | Circle | 6 | 6 | null | 5 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 5 | 13 | 0 | 20 | 0 | 2 | 2 | 290 | Compound.7 | -6.12 | 2.414148107 | -1.209316574 | 36.14788107 | 41.85686664 | 5.647368313 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 84.27126363 | 13.70758556 | null | -6.12 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)NC1=O | 117.6566373 | 35.44307838 | 1.431199657 | 31.03907287 | 23.57583074 | 135.5329661 | 13.47268658 | 29.73312632 | 0 | 5.749511833 | [['PAMPA'], ['PAMPA']] | [2465, 7460] | [['-5.66'], ['-5.04']] | ['2020_Hosono', '2023_Ghosh'] | ['L', 'dL', 'meL', 'L', 'dP', 'Y'] | [0.8193999999999995, 0.8193999999999995, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 20.31, 29.1, 20.31, 49.33] | 21.23925341 | 0.0 | 5.749511833 | 0.0 | 101.3629471 | 35.14014801 | 23.57583074 | 176.7493755 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2015_Wang | 1051 | null | 177.25 | null | 541.5543657 | 0.0 | 92.97508135 | -6.790174686 | -2.68864394 | -53.47695327 | -50.00606017 | -43.82110635 | -56.49650863 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.246301583 | null |
01f4fcd1c72c090747504cf9eb300b5f5b692977278a5c42c4f7e9f85f0a7dd0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,051 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'L', 'L', 'dP', 'meY'] | 34 | 1052 | -5.89 | -5.89 | Circle | 2 | -2.49e-16 | -2.717835587 | -1.96e-16 | -2.891341914 | -1.87e-16 | -1.135790596 | 1.75e-16 | -0.24928777 | 3.692778648 | 3907.527995 | 129.0 | null | -5.04 | 92.59941163 | 87.04101961 | 25.04101961 | 49.02838586 | 43.50646686 | 12.80936419 | 8.731517706 | 8.731517706 | 5.089924219 | 5.089924219 | 3.165124719 | 3.165124719 | null | null | null | null | 274.5462728 | 27.57950521 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 57.63230046 | 726.4679983 | 0.788461538 | 1.25 | 1.711538462 | 0.692307692 | 130.0 | PEPTIDE1052{L.[dL].L.L.[dP].[meY]}$PEPTIDE1052,PEPTIDE1052,1:R1-6:R2$$$ | PEPTIDE1052{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1052,PEPTIDE1052,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 1052 | null | null | 1.6799999999999998e+35 | 8.391326645 | 19.0709996 | 11.94513776 | 396.3723808 | null | 16.48282422 | 0.507966645 | 16.48282422 | 0.29309207 | 1.801929765 | 0.29309207 | -7.001859679 | -0.507966645 | 2.8899 | 198.6466 | 726.96 | Circle | 6 | 6 | null | 5 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 5 | 13 | 0 | 20 | 0 | 2 | 2 | 290 | Compound.8 | -5.89 | 2.425870326 | -1.211413275 | 36.14788107 | 41.85686664 | 5.647368313 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 84.27126363 | 13.70758556 | null | -5.89 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O | 117.6566373 | 35.44307838 | 1.431199657 | 31.03907287 | 23.57583074 | 135.5329661 | 13.47268658 | 29.73312632 | 0 | 5.749511833 | [['PAMPA']] | [2462] | [['-6.00']] | ['2020_Hosono'] | ['L', 'dL', 'L', 'L', 'dP', 'meY'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 40.540000000000006] | 21.23925341 | 0.0 | 5.749511833 | 0.0 | 101.3629471 | 35.14014801 | 23.57583074 | 176.7493755 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2015_Wang | 1052 | null | 177.25 | null | 541.2788244 | 0.0 | 93.28670293 | -7.099577474 | -2.783291787 | -53.31915495 | -50.25704318 | -43.89105631 | -55.96540366 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.246301583 | null |
30ae299420fb3242852509c5a828a8f3ed0f7cc16967659da1d0356eb1682f2f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,052 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Y'] | 37 | 1053 | -6.02 | -6.02 | Circle | 3 | -2.89e-16 | -2.735939938 | -1.88e-16 | -2.880919277 | -1.82e-16 | -1.136361867 | 8.58e-17 | -0.24928777 | 3.793416499 | 4014.47427 | 130.0 | null | -4.97 | 95.09941163 | 89.54101961 | 25.54101961 | 50.23971072 | 44.78286006 | 13.03297098 | 8.955124504 | 8.955124504 | 5.303272864 | 5.303272864 | 3.293848191 | 3.293848191 | null | null | null | null | 281.1121961 | 26.16766313 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.773584906 | 1.301886792 | 1.886792453 | 0.7 | 129.0 | PEPTIDE1053{L.[Me_dL].[meL].L.[dP].Y}$PEPTIDE1053,PEPTIDE1053,1:R1-6:R2$$$ | PEPTIDE1053{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1053,PEPTIDE1053,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1053 | null | null | 5.17e+37 | 8.475622976 | 19.25048022 | 11.91836383 | 405.6991788 | null | 16.93500776 | 0.507966645 | 16.93500776 | 0.29309207 | 1.792592489 | 0.29309207 | -7.437739309 | -0.507966645 | 3.2321 | 203.2739 | 740.987 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 4 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Compound.9 | -6.02 | 2.232457916 | -1.100832651 | 35.73797744 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 95.35936619 | 13.70758556 | null | -6.02 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 120.3570709 | 35.44307838 | 1.431199657 | 30.62916925 | 23.57583074 | 135.5329661 | 20.44851348 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'Me_dL', 'meL', 'L', 'dP', 'Y'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.2386837 | 35.14014801 | 23.57583074 | 180.8616512 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1053 | null | 168.46 | null | 562.0201898 | 0.0 | 91.19694882 | -4.158119696 | -2.742347644 | -54.5778778 | -51.02169289 | -44.52191198 | -63.69518863 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.285786761 | null |
5d40a525c008db5be44f6ca8613ed9df417cf021fe509ef2cbd9112dc411a971 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,053 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'L', 'L', 'dP', 'meY'] | 37 | 1054 | -5.82 | -5.82 | Circle | 4 | -2.4e-16 | -2.72743424 | -2.17e-16 | -2.883657404 | -1.66e-16 | -1.136098931 | -5.24e-17 | -0.24928777 | 3.787937187 | 4014.47427 | 110.0 | null | -5.11 | 95.09941163 | 89.54101961 | 25.54101961 | 50.23971072 | 44.78286006 | 13.03297098 | 8.955124504 | 8.955124504 | 5.303272864 | 5.303272864 | 3.293848191 | 3.293848191 | null | null | null | null | 281.1121961 | 26.16766313 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.773584906 | 1.283018868 | 1.867924528 | 0.7 | 111.0 | PEPTIDE1054{L.[Me_dL].L.L.[dP].[meY]}$PEPTIDE1054,PEPTIDE1054,1:R1-6:R2$$$ | PEPTIDE1054{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1054,PEPTIDE1054,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1054 | null | null | 2.61e+37 | 8.475622976 | 19.25048022 | 11.91836383 | 405.6991788 | null | 16.74278565 | 0.507966645 | 16.74278565 | 0.29309207 | 1.835059696 | 0.29309207 | -7.288318013 | -0.507966645 | 3.2321 | 203.2739 | 740.987 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 4 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Compound.10 | -5.82 | 2.310222674 | -1.124169933 | 35.73797744 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 95.35936619 | 13.70758556 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O | 120.3570709 | 35.44307838 | 1.431199657 | 30.62916925 | 23.57583074 | 135.5329661 | 20.44851348 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'Me_dL', 'L', 'L', 'dP', 'meY'] | [0.8193999999999995, 1.1616, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 29.1, 29.1, 20.31, 40.540000000000006] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.2386837 | 35.14014801 | 23.57583074 | 180.8616512 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1054 | null | 168.46 | null | 561.6262056 | 0.0 | 91.60353568 | -4.562487762 | -2.836995491 | -54.42007948 | -51.2726759 | -44.59186194 | -63.04564074 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.285786761 | null |
f913298f64b450f93d54b7ab0440d4b03296d1a724fc991e70e565fae332db54 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,054 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'meL', 'L', 'dP', 'meY'] | 36 | 1055 | -5.88 | -5.88 | Circle | 7 | -2.96e-16 | -2.728072097 | -1.97e-16 | -2.88396879 | -1.5e-16 | -1.136117273 | 1.8e-16 | -0.24928777 | 3.785135789 | 4014.47427 | 136.0 | null | -4.95 | 95.09941163 | 89.54101961 | 25.54101961 | 50.23971072 | 44.78286006 | 13.03297098 | 8.955124504 | 8.955124504 | 5.303272864 | 5.303272864 | 3.293848191 | 3.293848191 | null | null | null | null | 281.1121961 | 26.16766313 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.773584906 | 1.283018868 | 1.867924528 | 0.7 | 122.0 | PEPTIDE1055{L.[dL].[meL].L.[dP].[meY]}$PEPTIDE1055,PEPTIDE1055,1:R1-6:R2$$$ | PEPTIDE1055{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1055,PEPTIDE1055,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1055 | null | null | 5.94e+36 | 8.475622976 | 19.25048022 | 11.91836383 | 405.6991788 | null | 16.6909995 | 0.507966645 | 16.6909995 | 0.29309207 | 1.824325598 | 0.29309207 | -7.271792705 | -0.507966645 | 3.2321 | 203.2739 | 740.987 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 4 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Compound.11 | -5.88 | 2.329352554 | -1.124134653 | 35.73797744 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 95.35936619 | 13.70758556 | null | -5.88 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)NC1=O | 120.3570709 | 35.44307838 | 1.431199657 | 30.62916925 | 23.57583074 | 135.5329661 | 20.44851348 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dL', 'meL', 'L', 'dP', 'meY'] | [0.8193999999999995, 0.8193999999999995, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 29.1, 20.31, 29.1, 20.31, 40.540000000000006] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.2386837 | 35.14014801 | 23.57583074 | 180.8616512 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1055 | null | 168.46 | null | 561.6041457 | 0.0 | 91.59098782 | -4.550092565 | -2.816421718 | -54.42841582 | -51.21376693 | -44.60681077 | -63.07962568 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.285786761 | null |
202c98b348f1ab06f6d47539a8cdaed8ec322dd14c6fb9885869abefead2e219 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,055 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | 39 | 1056 | -6.24 | -6.24 | Circle | 9 | -2.73e-16 | -2.736564284 | -2.23e-16 | -2.876464008 | -1.04e-16 | -1.136362017 | 1.69e-16 | -0.24928777 | 3.881438201 | 4121.809889 | 111.0 | null | -4.8 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 124.0 | PEPTIDE1056{L.[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE1056,PEPTIDE1056,1:R1-6:R2$$$ | PEPTIDE1056{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1056,PEPTIDE1056,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1056 | null | null | 5.2000000000000006e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.00766616 | 0.507966645 | 17.00766616 | 0.29309207 | 1.857455529 | 0.29309207 | -7.503943013 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | Compound.12 | -6.24 | 2.143539337 | -1.009728356 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -6.24 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['RRCK'], ['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA'], ['PAMPA', 'RRCK']] | [25, 32, 980, 999, 1018, 1027, 1030, 1827, 2328] | [['-5.31'], ['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.40'], ['-5.52', '-4.88']] | ['2011_White', '2012_Rand', '2015_Bockus_1', '2015_Hewitt', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2016_Hickey', '2018_Naylor'] | ['L', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | [0.8193999999999995, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Wang | 25 | null | 159.67 | null | 582.2023772 | 0.0 | 89.70782057 | -1.813002853 | -2.870125422 | -55.52934034 | -52.22939965 | -45.30761639 | -70.41071309 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
3337f8b977c02c501b41e3f81b6531d47173bb929a5cd098ac7440de84cdf90a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,056 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'Me_dL', 'dL', 'dL', 'P', 'Y'] | 38 | 1057 | -5.42 | -5.42 | Circle | 9 | -2.27e-16 | -2.732447301 | -2.05e-16 | -2.882014852 | -1.38e-16 | -1.136234601 | 3.63e-16 | -0.24928777 | 3.792734017 | 4014.47427 | 142.0 | null | -4.66 | 95.09941163 | 89.54101961 | 25.54101961 | 50.23971072 | 44.78286006 | 13.03297098 | 8.955124504 | 8.955124504 | 5.303272864 | 5.303272864 | 3.293848191 | 3.293848191 | null | null | null | null | 281.1121961 | 26.16766313 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.773584906 | 1.320754717 | 1.924528302 | 0.7 | 144.0 | PEPTIDE1057{[meL].[Me_dL].[dL].[dL].P.Y}$PEPTIDE1057,PEPTIDE1057,1:R1-6:R2$$$ | PEPTIDE1057{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1057,PEPTIDE1057,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1057 | null | null | 1.66e+37 | 8.475622976 | 19.25048022 | 11.91836383 | 405.6991788 | null | 16.92678449 | 0.507966645 | 16.92678449 | 0.29309207 | 1.82390036 | 0.29309207 | -7.347539479 | -0.507966645 | 3.2321 | 203.2739 | 740.987 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 4 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Compound.13 | -5.42 | 2.267619658 | -1.110898198 | 35.73797744 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 95.35936619 | 13.70758556 | null | -5.42 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 120.3570709 | 35.44307838 | 1.431199657 | 30.62916925 | 23.57583074 | 135.5329661 | 20.44851348 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['meL', 'Me_dL', 'dL', 'dL', 'P', 'Y'] | [1.1616, 1.1616, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 29.1, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.2386837 | 35.14014801 | 23.57583074 | 180.8616512 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1057 | null | 168.46 | null | 561.9070691 | 0.0 | 91.36794257 | -4.327881028 | -2.809132679 | -54.50521644 | -51.20257205 | -44.53264047 | -63.39756901 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.285786761 | null |
2232ce41007c206c62630966f466458b7e623e20ff3abd00dd95625c4ab6504c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,057 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'meL', 'dL', 'dP', 'P', 'Y'] | 36 | 1058 | -5.95 | -5.95 | Circle | 3 | -1.66e-16 | -2.730827707 | -2.37e-16 | -2.869307227 | -6.58e-17 | -1.136158925 | 6.33e-16 | -0.249287768 | 3.054008638 | 3923.258795 | 118.0 | null | -5.26 | 90.59941163 | 85.04101961 | 25.04101961 | 48.20103559 | 42.80925326 | 13.00657778 | 9.0405347 | 9.0405347 | 5.621826607 | 5.621826607 | 3.553897686 | 3.553897686 | null | null | null | null | 273.9743351 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 60.37381757 | 724.4523483 | 0.788461538 | 1.346153846 | 1.961538462 | 0.692307692 | 119.0 | PEPTIDE1058{[meL].[meL].[dL].[dP].P.Y}$PEPTIDE1058,PEPTIDE1058,1:R1-6:R2$$$ | PEPTIDE1058{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1058,PEPTIDE1058,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 1058 | null | null | 8.950000000000001e+34 | 8.543423 | 17.5727021 | 9.628151798 | 392.8604384 | null | 16.89160408 | 0.507966645 | 16.89160408 | 0.29309207 | 1.774790855 | 0.29309207 | -7.257338546 | -0.507966645 | 2.6922 | 196.6232 | 724.944 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 17 | 0 | 3 | 3 | 288 | Compound.14 | -5.95 | 3.327146737 | -1.37426386 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 79.94063627 | 97.74395021 | 13.70758556 | null | -5.95 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 114.8329532 | 35.44307838 | 1.431199657 | 30.21926563 | 17.68187306 | 128.2021067 | 26.94537317 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['meL', 'meL', 'dL', 'dP', 'P', 'Y'] | [1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 124.6354531 | 35.14014801 | 17.68187306 | 169.4185162 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1058 | null | 159.67 | null | 529.2540094 | 0.0 | 89.01053409 | -1.295076053 | -2.73502923 | -47.20729535 | -49.69882007 | -48.62334859 | -57.45497419 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.371992764 | null |
82d397c75e97f462aa758266cc5f692a003a8b64bdf3b420d4c6ae9e5d3e2fbe | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,058 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'Me_dL', 'dL', 'meL', 'P', 'Y'] | 41 | 1059 | -5.73 | -5.73 | Circle | 9 | -2.66e-16 | -2.736094497 | -2.07e-16 | -2.876089459 | -1.06e-16 | -1.136302468 | 6.72e-16 | -0.24928777 | 3.881415757 | 4121.809889 | 115.0 | null | -4.79 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 122.0 | PEPTIDE1059{[Me_dL].[Me_dL].[dL].[meL].P.Y}$PEPTIDE1059,PEPTIDE1059,1:R1-6:R2$$$ | PEPTIDE1059{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1059,PEPTIDE1059,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1059 | null | null | 4.01e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.01387127 | 0.507966645 | 17.01387127 | 0.29309207 | 1.849212151 | 0.29309207 | -7.446790117 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | Compound.15 | -5.73 | 2.171762006 | -1.001668158 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -5.73 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N1C | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'Me_dL', 'dL', 'meL', 'P', 'Y'] | [1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1059 | null | 159.67 | null | 582.3472718 | 0.0 | 89.57603494 | -1.682192564 | -2.847585388 | -55.5776245 | -52.17493208 | -45.29217036 | -70.59880187 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
bcb6a4f586ab3484343c5d4580b1f7d9ea649d20ddd1ff50658b4d6af648710d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,059 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'Me_dL', 'L', 'Me_dL', 'P', 'Y'] | 42 | 1060 | -7.0 | -7 | Circle | 2 | -2.45e-16 | -2.736094497 | -2.59e-16 | -2.876089459 | -8.74e-17 | -1.136302468 | 3.23e-16 | -0.24928777 | 3.881415757 | 4121.809889 | 111.0 | null | -4.83 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 116.0 | PEPTIDE1060{[Me_dL].[Me_dL].L.[Me_dL].P.Y}$PEPTIDE1060,PEPTIDE1060,1:R1-6:R2$$$ | PEPTIDE1060{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1060,PEPTIDE1060,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1060 | null | null | 3.36e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.01387127 | 0.507966645 | 17.01387127 | 0.29309207 | 1.849212151 | 0.29309207 | -7.446790117 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | Compound.16 | -7.0 | 2.171762006 | -1.001668158 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -7.0 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'Me_dL', 'L', 'Me_dL', 'P', 'Y'] | [1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1060 | null | 159.67 | null | 582.3472718 | 0.0 | 89.57603494 | -1.682192564 | -2.847585388 | -55.5776245 | -52.17493208 | -45.29217036 | -70.59880187 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
6b143609980ffb488680deb87526d8bc1964482ba6156fff395c9c9ea350b94e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,060 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | 41 | 1061 | -5.82 | -5.82 | Circle | 4 | -2.84e-16 | -2.741033101 | -2.22e-16 | -2.871047609 | -9.83e-17 | -1.13644722 | 2.67e-16 | -0.24928777 | 3.977368607 | 4229.526449 | 99.0 | null | -4.8 | 100.0994116 | 94.54101961 | 26.54101961 | 52.66236046 | 47.33564646 | 13.48018458 | 9.402338099 | 9.402338099 | 5.729970153 | 5.729970153 | 3.551295137 | 3.551295137 | null | null | null | null | 294.2440426 | 23.34397898 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 69.96912747 | 768.5149485 | 0.745454545 | 1.218181818 | 1.727272727 | 0.714285714 | 98.0 | PEPTIDE1061{[meL].[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE1061,PEPTIDE1061,1:R1-6:R2$$$ | PEPTIDE1061{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1061,PEPTIDE1061,1:R1-6:R2$$$ | -4.16 | 55 | 700.497 | 1061 | null | null | 3.24e+40 | 8.648487777 | 19.62111529 | 11.44329861 | 424.3527747 | null | 17.22973293 | 0.507966645 | 17.22973293 | 0.29309207 | 1.911159233 | 0.29309207 | -7.629368183 | -0.507966645 | 3.9165 | 212.5285 | 769.041 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 2 | 13 | 0 | 23 | 0 | 2 | 2 | 308 | Compound.17 | -5.82 | 1.985069724 | -0.900355784 | 34.9181702 | 41.85686664 | 1.411842078 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 117.5355713 | 13.70758556 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C1=O | 125.7579381 | 35.44307838 | 1.431199657 | 29.80936201 | 23.57583074 | 135.5329661 | 34.40016729 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['meL', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | [1.1616, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 5.309813353 | 0.0 | 5.749511833 | 0.0 | 136.990157 | 35.14014801 | 23.57583074 | 189.0862025 | 24.16967483 | 1.411842078 | 0.0 | 0 | 2015_Wang | 1061 | null | 150.88 | null | 602.967633 | 0.0 | 87.74108101 | 1.008738916 | -2.970040388 | -56.56593985 | -53.36700256 | -46.03409935 | -77.7803708 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 5 | 1 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.366631993 | null |
056cae8dbccb4ea133847f78b0ea3a1610c6e1e42af9b8f7cae46e8f528d096c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,061 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'L', 'dL', 'dP', 'P', 'Y'] | 34 | 1062 | -6.54 | -6.54 | Circle | 6 | -2.25e-16 | -2.7190719 | -1.51e-16 | -2.878221538 | -5.47e-17 | -1.135771872 | 9.28e-16 | -0.249287768 | 2.973015634 | 3816.692077 | 139.0 | null | -5.98 | 88.09941163 | 82.54101961 | 24.54101961 | 46.98971072 | 41.53286006 | 12.78297098 | 8.816927902 | 8.816927902 | 5.408477962 | 5.408477962 | 3.425174213 | 3.425174213 | null | null | null | null | 267.4084118 | 23.42614602 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 56.2615419 | 710.4366982 | 0.803921569 | 1.37254902 | 2.0 | 0.684210526 | 137.0 | PEPTIDE1062{[meL].L.[dL].[dP].P.Y}$PEPTIDE1062,PEPTIDE1062,1:R1-6:R2$$$ | PEPTIDE1062{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1062,PEPTIDE1062,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1062 | null | null | 2.92e+33 | 8.463428819 | 17.37144488 | 10.00482973 | 383.5336404 | null | 16.55045326 | 0.507966645 | 16.55045326 | 0.29309207 | 1.741660924 | 0.29309207 | -7.037971467 | -0.507966645 | 2.35 | 191.9959 | 710.917 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 7 | 4 | 13 | 0 | 16 | 0 | 3 | 3 | 282 | Compound.18 | -6.54 | 3.502535242 | -1.497458919 | 35.73797744 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 79.94063627 | 86.65584764 | 13.70758556 | null | -6.54 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O | 112.1325196 | 35.44307838 | 1.431199657 | 30.62916925 | 17.68187306 | 128.2021067 | 19.96954627 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['meL', 'L', 'dL', 'dP', 'P', 'Y'] | [1.1616, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.2794999999999998, 0.7215999999999996] | [20.31, 29.1, 29.1, 20.31, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 112.7597165 | 35.14014801 | 17.68187306 | 165.3062405 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1062 | null | 168.46 | null | 508.863183 | 0.0 | 90.77750835 | -3.915972774 | -2.681325526 | -46.15350409 | -48.68318735 | -47.86706775 | -50.33963383 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.321324192 | null |
122e7dabeb53fb392ebf1d8c3dde39b353e31ec998a658b33970f2e605a9cc51 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,062 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'Me_dL', 'L', 'dL', 'P', 'Y'] | 39 | 1063 | -6.17 | -6.17 | Circle | 2 | -2.17e-16 | -2.732447301 | -1.93e-16 | -2.882014852 | -1.59e-16 | -1.136234601 | 1.99e-16 | -0.24928777 | 3.792734017 | 4014.47427 | 137.0 | null | -4.93 | 95.09941163 | 89.54101961 | 25.54101961 | 50.23971072 | 44.78286006 | 13.03297098 | 8.955124504 | 8.955124504 | 5.303272864 | 5.303272864 | 3.293848191 | 3.293848191 | null | null | null | null | 281.1121961 | 26.16766313 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 61.74457613 | 740.4836484 | 0.773584906 | 1.320754717 | 1.924528302 | 0.7 | 136.0 | PEPTIDE1063{[Me_dL].[Me_dL].L.[dL].P.Y}$PEPTIDE1063,PEPTIDE1063,1:R1-6:R2$$$ | PEPTIDE1063{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1063,PEPTIDE1063,1:R1-6:R2$$$ | -4.16 | 53 | 676.475 | 1063 | null | null | 5.1e+36 | 8.475622976 | 19.25048022 | 11.91836383 | 405.6991788 | null | 16.92678449 | 0.507966645 | 16.92678449 | 0.29309207 | 1.82390036 | 0.29309207 | -7.347539479 | -0.507966645 | 3.2321 | 203.2739 | 740.987 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 4 | 13 | 0 | 21 | 0 | 2 | 2 | 296 | Compound.19 | -6.17 | 2.267619658 | -1.110898198 | 35.73797744 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 95.35936619 | 13.70758556 | null | -6.17 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O | 120.3570709 | 35.44307838 | 1.431199657 | 30.62916925 | 23.57583074 | 135.5329661 | 20.44851348 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'Me_dL', 'L', 'dL', 'P', 'Y'] | [1.1616, 1.1616, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 29.1, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.2386837 | 35.14014801 | 23.57583074 | 180.8616512 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1063 | null | 168.46 | null | 561.9070691 | 0.0 | 91.36794257 | -4.327881028 | -2.809132679 | -54.50521644 | -51.20257205 | -44.53264047 | -63.39756901 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.285786761 | null |
f3c49ab13c6d96050bb7a691f8303f3b8873bf483a7d1abd1ac6894e16bcf3f5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,063 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'L', 'L', 'L', 'P', 'Y'] | 31 | 1064 | -6.23 | -6.23 | Circle | 7 | -2.06e-16 | -2.716753673 | -1.33e-16 | -2.89458429 | -2.12e-16 | -1.135790365 | 4.33e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 155.0 | null | -6.43 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 59.00305902 | 712.4523483 | 0.745098039 | 1.156862745 | 1.607843137 | 0.684210526 | 171.0 | PEPTIDE1064{[dL].L.L.L.P.Y}$PEPTIDE1064,PEPTIDE1064,1:R1-6:R2$$$ | PEPTIDE1064{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1064,PEPTIDE1064,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1064 | null | null | 3.8799999999999997e+33 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.3125436 | 0.507966645 | 16.3125436 | 0.29309207 | 1.737066725 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Compound.20 | -6.23 | 2.44360442 | -1.286946541 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.23 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['dL', 'L', 'L', 'L', 'P', 'Y'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1064 | null | 186.04 | null | 521.3100972 | 0.0 | 94.60777993 | -9.276643065 | -2.655514009 | -52.36769241 | -49.04933642 | -43.10535189 | -49.46333938 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
0643c24a0027d4e6eea2c9bd6240ca50e3985d10a3bfe2a893f1fa7c6e05bfae | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,064 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'meL', 'L', 'meL', 'P', 'Y'] | 38 | 1065 | -5.64 | -5.64 | Circle | 1 | -2.45e-16 | -2.736094497 | -2.59e-16 | -2.876089459 | -8.74e-17 | -1.136302468 | 3.23e-16 | -0.24928777 | 3.881415757 | 4121.809889 | 125.0 | null | -4.86 | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.516621508 | 5.516621508 | 3.422571664 | 3.422571664 | null | null | null | null | 287.6781193 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 754.4992985 | 0.759259259 | 1.259259259 | 1.814814815 | 0.707317073 | 130.0 | PEPTIDE1065{[Me_dL].[meL].L.[meL].P.Y}$PEPTIDE1065,PEPTIDE1065,1:R1-6:R2$$$ | PEPTIDE1065{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1065,PEPTIDE1065,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 1065 | null | null | 3.36e+38 | 8.561382025 | 19.43396197 | 11.42697649 | 415.0259768 | null | 17.01387127 | 0.507966645 | 17.01387127 | 0.29309207 | 1.849212151 | 0.29309207 | -7.446790117 | -0.507966645 | 3.5743 | 207.9012 | 755.014 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 22 | 0 | 2 | 2 | 302 | Compound.21 | -5.64 | 2.171762006 | -1.001668158 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 106.4474688 | 13.70758556 | null | -5.64 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C1=O | 123.0575045 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 135.5329661 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'meL', 'L', 'meL', 'P', 'Y'] | [1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1065 | null | 159.67 | null | 582.3472718 | 0.0 | 89.57603494 | -1.682192564 | -2.847585388 | -55.5776245 | -52.17493208 | -45.29217036 | -70.59880187 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.329549016 | null |
a03cb61fc1929c1a35bd43986cacef4772cc296fcc2807ad80d3e6da900eadb9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,065 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'L', 'dL', 'dP', 'Y'] | 33 | 1066 | -6.96 | -6.96 | Circle | 3 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 165.0 | null | -6.23 | 90.09941163 | 84.54101961 | 24.54101961 | 47.81706099 | 42.23007366 | 12.58575739 | 8.507910908 | 8.507910908 | 4.876575574 | 4.876575574 | 3.036401246 | 3.036401246 | null | null | null | null | 267.9803495 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 59.00305902 | 712.4523483 | 0.745098039 | 1.156862745 | 1.607843137 | 0.684210526 | 163.0 | PEPTIDE1066{L.[dL].L.[dL].[dP].Y}$PEPTIDE1066,PEPTIDE1066,1:R1-6:R2$$$ | PEPTIDE1066{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1066,PEPTIDE1066,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 1066 | null | null | 2.9e+34 | 8.308622705 | 18.89589014 | 12.53381155 | 387.0455828 | null | 16.3125436 | 0.507966645 | 16.3125436 | 0.29309207 | 1.737066725 | 0.29309207 | -6.935655976 | -0.507966645 | 2.5477 | 194.0193 | 712.933 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Compound.22 | -6.96 | 2.44360442 | -1.286946541 | 36.55778469 | 41.85686664 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 13.70758556 | null | -6.96 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O | 114.9562037 | 35.44307838 | 1.431199657 | 31.4489765 | 23.57583074 | 135.5329661 | 6.496859684 | 29.73312632 | 0 | 5.749511833 | [['PAMPA']] | [9] | [['-8.10']] | ['2006_Rezai_1'] | ['L', 'dL', 'L', 'dL', 'dP', 'Y'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.48721045 | 35.14014801 | 23.57583074 | 172.6370999 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Wang | 9 | null | 186.04 | null | 521.3100972 | 0.0 | 94.60777993 | -9.276643065 | -2.655514009 | -52.36769241 | -49.04933642 | -43.10535189 | -49.46333938 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.215270438 | null |
f4f1c4bb65494a4d2db33d4c1b08181cdb795553d60480737e6089b29ef8fe59 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,066 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'dL', 'dL', 'P', 'Ala(indol-2-yl)'] | 47 | 1067 | -5.48 | -5.48 | Circle | 5 | -1.44e-16 | -2.716677804 | -1.35e-16 | -2.894664082 | -8.77e-17 | -1.13579037 | 1.01e-15 | -0.24928777 | 2.959643732 | 4128.299868 | 144.0 | null | -5.02 | 92.12435565 | 86.57998491 | 25.57998491 | 49.18973979 | 43.51212841 | 13.32884684 | 9.112803757 | 9.112803757 | 5.402628796 | 5.402628796 | 3.464182106 | 3.464182106 | null | null | null | null | 284.2836611 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 54.87142577 | 735.4683327 | 0.735849057 | 1.188679245 | 1.716981132 | 0.65 | 145.0 | PEPTIDE1067{L.[dL].[dL].[dL].P.[Ala(indol-2-yl)]}$PEPTIDE1067,PEPTIDE1067,1:R1-6:R2$$$ | PEPTIDE1067{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1067,PEPTIDE1067,1:R1-6:R2$$$ | -4.42 | 53 | 674.483 | 1067 | null | null | 7.5400000000000005e+34 | 8.677285707 | 18.5600289 | 11.53290532 | 399.5185309 | null | 16.39474856 | 0.358312614 | 16.39474856 | 0.245339625 | 0.912351013 | 0.245339625 | -6.944928202 | -0.358312614 | 3.3234 | 204.2112 | 735.971 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 6 | 6 | 13 | 0 | 18 | 0 | 2 | 2 | 292 | Compound.23 | -5.48 | 3.218238627 | 2.14644061 | 36.42597977 | 36.10735481 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 72.94239306 | 79.28444178 | 84.39378977 | 15.07834412 | null | -5.48 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O | 112.6299962 | 46.34600331 | 0.0 | 36.42597977 | 23.57583074 | 135.5329661 | 6.496859684 | 35.90602153 | 0 | 0.0 | null | null | null | null | ['L', 'dL', 'dL', 'dL', 'P', 'Ala(indol-2-yl)'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 87.92420587 | 35.14014801 | 23.57583074 | 174.1383349 | 30.21209354 | 8.47105247 | 10.90292493 | 0 | 2015_Wang | 1067 | null | 181.6 | null | 533.9210118 | 0.0 | 94.30324149 | -14.81143263 | -4.26701846 | -50.66406877 | -48.95654642 | -43.15970845 | -49.53214522 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.217813258 | null |
6ca1cac28e3690fdfffe8376b77c934e6070a45f37729f9b364ccdf790ac8352 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,067 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'dL', 'dP', 'P', 'Ala(indol-2-yl)'] | 46 | 1068 | -6.72 | -6.72 | Circle | 1 | -1.6e-16 | -2.711757823 | -1.22e-16 | -2.886194497 | -8.48e-18 | -1.135599474 | 1.21e-15 | -0.249287768 | 2.478104452 | 4036.5019 | 142.0 | null | -6.68 | 87.62435565 | 82.07998491 | 25.07998491 | 47.15106466 | 41.53852161 | 13.30245364 | 9.198213954 | 9.198213954 | 5.72118254 | 5.72118254 | 3.7242316 | 3.7242316 | null | null | null | null | 277.1458001 | 24.8379881 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 53.50066721 | 719.4370325 | 0.75 | 1.25 | 1.865384615 | 0.641025641 | 141.0 | PEPTIDE1068{L.L.[dL].[dP].P.[Ala(indol-2-yl)]}$PEPTIDE1068,PEPTIDE1068,1:R1-6:R2$$$ | PEPTIDE1068{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1068,PEPTIDE1068,1:R1-6:R2$$$ | -4.42 | 52 | 662.472 | 1068 | null | null | 2.1900000000000003e+34 | 8.756362481 | 16.94081699 | 9.321307208 | 386.6797905 | null | 16.31186347 | 0.358312614 | 16.31186347 | 0.245559486 | 0.856602789 | 0.245559486 | -6.854727269 | -0.358312614 | 2.7835 | 197.5605 | 719.928 | Circle | 6 | 6 | null | 5 | 13 | null | null | 0 | 3 | 3 | 1 | 1 | 2 | 6 | 5 | 13 | 0 | 14 | 0 | 3 | 3 | 284 | Compound.24 | -6.72 | 4.260064488 | 1.812374255 | 36.01607615 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 59.23860883 | 79.763409 | 86.77837379 | 15.07834412 | null | -6.72 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC1=O | 107.1058784 | 46.34600331 | 0.0 | 36.01607615 | 17.68187306 | 128.2021067 | 12.99371937 | 35.90602153 | 0 | 0.0 | null | null | null | null | ['L', 'L', 'dL', 'dP', 'P', 'Ala(indol-2-yl)'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 29.1, 20.31, 20.31, 44.89] | 21.23925341 | 0.0 | 0.0 | 0.0 | 99.32097529 | 35.14014801 | 17.68187306 | 162.6951999 | 30.21209354 | 7.059210392 | 10.90292493 | 0 | 2015_Wang | 1068 | null | 172.81 | null | 501.3251798 | 0.0 | 91.95917666 | -11.69306922 | -4.137108882 | -43.495056 | -47.44306139 | -47.16227581 | -43.77045184 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.280849949 | null |
38393d1e57687ce77775f12f3a909df09ee32c4ca2a801aa73c61437b8e97316 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,068 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'dL', 'dL', 'L', 'P', 'Ala(indol-2-yl)'] | 47 | 1069 | -6.55 | -6.55 | Circle | 7 | -2.38e-16 | -2.716677804 | -1.47e-16 | -2.894664082 | -1.13e-16 | -1.13579037 | 3.61e-16 | -0.24928777 | 2.959643732 | 4128.299868 | 130.0 | null | -6.44 | 92.12435565 | 86.57998491 | 25.57998491 | 49.18973979 | 43.51212841 | 13.32884684 | 9.112803757 | 9.112803757 | 5.402628796 | 5.402628796 | 3.464182106 | 3.464182106 | null | null | null | null | 284.2836611 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 54.87142577 | 735.4683327 | 0.735849057 | 1.188679245 | 1.716981132 | 0.65 | 131.0 | PEPTIDE1069{[dL].[dL].[dL].L.P.[Ala(indol-2-yl)]}$PEPTIDE1069,PEPTIDE1069,1:R1-6:R2$$$ | PEPTIDE1069{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1069,PEPTIDE1069,1:R1-6:R2$$$ | -4.42 | 53 | 674.483 | 1069 | null | null | 3.2900000000000004e+34 | 8.677285707 | 18.5600289 | 11.53290532 | 399.5185309 | null | 16.39474856 | 0.358312614 | 16.39474856 | 0.245339625 | 0.912351013 | 0.245339625 | -6.944928202 | -0.358312614 | 3.3234 | 204.2112 | 735.971 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 6 | 6 | 13 | 0 | 18 | 0 | 2 | 2 | 292 | Compound.25 | -6.55 | 3.218238627 | 2.14644061 | 36.42597977 | 36.10735481 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 72.94239306 | 79.28444178 | 84.39378977 | 15.07834412 | null | -6.55 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C1=O | 112.6299962 | 46.34600331 | 0.0 | 36.42597977 | 23.57583074 | 135.5329661 | 6.496859684 | 35.90602153 | 0 | 0.0 | null | null | null | null | ['dL', 'dL', 'dL', 'L', 'P', 'Ala(indol-2-yl)'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 87.92420587 | 35.14014801 | 23.57583074 | 174.1383349 | 30.21209354 | 8.47105247 | 10.90292493 | 0 | 2015_Wang | 1069 | null | 181.6 | null | 533.9210118 | 0.0 | 94.30324149 | -14.81143263 | -4.26701846 | -50.66406877 | -48.95654642 | -43.15970845 | -49.53214522 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.217813258 | null |
719db362c66883aaae48c2b60b2f07db914038ddbf5441454e3e3a7affb5f263 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,069 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'dL', 'L', 'dL', 'P', 'Ala(indol-2-yl)'] | 47 | 1070 | -5.6 | -5.6 | Circle | 6 | -1.9e-16 | -2.716677804 | -1.95e-16 | -2.894664082 | -7.29e-17 | -1.13579037 | 9.19e-16 | -0.24928777 | 2.959643732 | 4128.299868 | 151.0 | null | -4.76 | 92.12435565 | 86.57998491 | 25.57998491 | 49.18973979 | 43.51212841 | 13.32884684 | 9.112803757 | 9.112803757 | 5.402628796 | 5.402628796 | 3.464182106 | 3.464182106 | null | null | null | null | 284.2836611 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 54.87142577 | 735.4683327 | 0.735849057 | 1.188679245 | 1.716981132 | 0.65 | 149.0 | PEPTIDE1070{[dL].[dL].L.[dL].P.[Ala(indol-2-yl)]}$PEPTIDE1070,PEPTIDE1070,1:R1-6:R2$$$ | PEPTIDE1070{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1070,PEPTIDE1070,1:R1-6:R2$$$ | -4.42 | 53 | 674.483 | 1070 | null | null | 5.6699999999999995e+35 | 8.677285707 | 18.5600289 | 11.53290532 | 399.5185309 | null | 16.39474856 | 0.358312614 | 16.39474856 | 0.245339625 | 0.912351013 | 0.245339625 | -6.944928202 | -0.358312614 | 3.3234 | 204.2112 | 735.971 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 6 | 6 | 13 | 0 | 18 | 0 | 2 | 2 | 292 | Compound.26 | -5.6 | 3.218238627 | 2.14644061 | 36.42597977 | 36.10735481 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 72.94239306 | 79.28444178 | 84.39378977 | 15.07834412 | null | -5.6 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)NC1=O | 112.6299962 | 46.34600331 | 0.0 | 36.42597977 | 23.57583074 | 135.5329661 | 6.496859684 | 35.90602153 | 0 | 0.0 | null | null | null | null | ['dL', 'dL', 'L', 'dL', 'P', 'Ala(indol-2-yl)'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 87.92420587 | 35.14014801 | 23.57583074 | 174.1383349 | 30.21209354 | 8.47105247 | 10.90292493 | 0 | 2015_Wang | 1070 | null | 181.6 | null | 533.9210118 | 0.0 | 94.30324149 | -14.81143263 | -4.26701846 | -50.66406877 | -48.95654642 | -43.15970845 | -49.53214522 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.217813258 | null |
3588d3a315d8de1c25da1d1f07b8ea238cf95aaaebdd4820ca02cb7dfd66d92d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,070 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'L', 'L', 'dP', 'Ala(indol-2-yl)'] | 46 | 1071 | -5.78 | -5.78 | Circle | 3 | -1.44e-16 | -2.716677804 | -1.35e-16 | -2.894664082 | -8.77e-17 | -1.13579037 | 1.01e-15 | -0.24928777 | 2.959643732 | 4128.299868 | 141.0 | null | -5.23 | 92.12435565 | 86.57998491 | 25.57998491 | 49.18973979 | 43.51212841 | 13.32884684 | 9.112803757 | 9.112803757 | 5.402628796 | 5.402628796 | 3.464182106 | 3.464182106 | null | null | null | null | 284.2836611 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 54.87142577 | 735.4683327 | 0.735849057 | 1.188679245 | 1.716981132 | 0.65 | 140.0 | PEPTIDE1071{L.[dL].L.L.[dP].[Ala(indol-2-yl)]}$PEPTIDE1071,PEPTIDE1071,1:R1-6:R2$$$ | PEPTIDE1071{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1071,PEPTIDE1071,1:R1-6:R2$$$ | -4.42 | 53 | 674.483 | 1071 | null | null | 7.5400000000000005e+34 | 8.677285707 | 18.5600289 | 11.53290532 | 399.5185309 | null | 16.39474856 | 0.358312614 | 16.39474856 | 0.245339625 | 0.912351013 | 0.245339625 | -6.944928202 | -0.358312614 | 3.3234 | 204.2112 | 735.971 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 6 | 6 | 13 | 0 | 18 | 0 | 2 | 2 | 292 | Compound.27 | -5.78 | 3.218238627 | 2.14644061 | 36.42597977 | 36.10735481 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 72.94239306 | 79.28444178 | 84.39378977 | 15.07834412 | null | -5.78 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC1=O | 112.6299962 | 46.34600331 | 0.0 | 36.42597977 | 23.57583074 | 135.5329661 | 6.496859684 | 35.90602153 | 0 | 0.0 | null | null | null | null | ['L', 'dL', 'L', 'L', 'dP', 'Ala(indol-2-yl)'] | [0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 87.92420587 | 35.14014801 | 23.57583074 | 174.1383349 | 30.21209354 | 8.47105247 | 10.90292493 | 0 | 2015_Wang | 1071 | null | 181.6 | null | 533.9210118 | 0.0 | 94.30324149 | -14.81143263 | -4.26701846 | -50.66406877 | -48.95654642 | -43.15970845 | -49.53214522 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.217813258 | null |
c477baefd4f55d16304632402b5966dcb0912b8123d2bc896719e9460d5fb56b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,071 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['I', 'dL', 'I', 'I', 'dP', 'Ala(indol-2-yl)'] | 46 | 1072 | -6.39 | -6.39 | Circle | 8 | -1.39e-16 | -2.724992786 | -1.08e-16 | -2.906858151 | -1.56e-16 | -1.133306899 | 4.82e-16 | -0.249285187 | 3.004593675 | 4176.299868 | 162.0 | null | -5.51 | 92.12435565 | 86.57998491 | 25.57998491 | 49.18973979 | 43.51212841 | 13.32884684 | 9.112803757 | 9.112803757 | 5.757833895 | 5.757833895 | 3.530831209 | 3.530831209 | null | null | null | null | 284.2836611 | 24.87907162 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 58.98370144 | 735.4683327 | 0.811320755 | 1.396226415 | 2.037735849 | 0.65 | 162.0 | PEPTIDE1072{I.[dL].I.I.[dP].[Ala(indol-2-yl)]}$PEPTIDE1072,PEPTIDE1072,1:R1-6:R2$$$ | PEPTIDE1072{<a href="/monomers/I/">I</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1072,PEPTIDE1072,1:R1-6:R2$$$ | -4.42 | 53 | 674.483 | 1072 | null | null | 2.4200000000000002e+34 | 8.677285707 | 18.5600289 | 10.17174471 | 399.5185309 | null | 16.51991414 | 0.358312614 | 16.51991414 | 0.245606838 | 0.924654456 | 0.245606838 | -7.044825233 | -0.358312614 | 3.3234 | 204.2112 | 735.971 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 6 | 6 | 13 | 0 | 18 | 0 | 2 | 2 | 292 | Compound.28 | -6.39 | 3.328363333 | 2.192960874 | 36.42597977 | 36.10735481 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 92.06116777 | 60.16566708 | 84.39378977 | 15.07834412 | null | -6.39 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC1=O | 112.6299962 | 46.34600331 | 0.0 | 36.42597977 | 23.57583074 | 135.5329661 | 6.496859684 | 35.90602153 | 0 | 0.0 | null | null | null | null | ['I', 'dL', 'I', 'I', 'dP', 'Ala(indol-2-yl)'] | [0.8193999999999999, 0.8193999999999995, 0.8193999999999999, 0.8193999999999999, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 87.92420587 | 35.14014801 | 23.57583074 | 174.1383349 | 30.21209354 | 8.47105247 | 10.90292493 | 0 | 2015_Wang | 1072 | null | 181.6 | null | 535.8662392 | 0.0 | 94.89173102 | -15.0175591 | -4.298692939 | -52.66214275 | -49.45823012 | -41.76693227 | -50.72107973 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.217813258 | null |
efd2efb23c9530c8b45ca72ebfa4790c715c58137ca86cc80a5c70e24fb990e2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,072 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['F', 'dF', 'F', 'F', 'dP', 'Ala(indol-2-yl)'] | 46 | 1073 | -10.0 | -10 | Circle | 9 | 3.48e-16 | -2.625434043 | 0.047709998 | -2.891156153 | 1.626004236 | -0.998485729 | 10.77117109 | -0.18591429 | 1.779751569 | 5282.189954 | 141.0 | null | -10.0 | 91.98076211 | 84.57998491 | 31.57998491 | 52.89144572 | 43.51212841 | 17.32884684 | 11.61280376 | 11.61280376 | 7.402628796 | 7.402628796 | 4.714182106 | 4.714182106 | null | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | null | 348.9948735 | 34.47438152 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 38.42232309 | 871.4057324 | 0.507692308 | 0.876923077 | 1.338461538 | 0.269230769 | 139.0 | PEPTIDE1073{F.[dF].F.F.[dP].[Ala(indol-2-yl)]}$PEPTIDE1073,PEPTIDE1073,1:R1-6:R2$$$ | PEPTIDE1073{<a href="/monomers/F/">F</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1073,PEPTIDE1073,1:R1-6:R2$$$ | -7.54 | 65 | 818.615 | 1073 | null | null | 1.5200000000000001e+38 | 13.27600405 | 20.76051918 | 11.35088162 | 452.1278384 | null | 16.69293355 | 0.358312614 | 16.69293355 | 0.245675545 | 0.748309671 | 0.245675545 | -6.210174117 | -0.358312614 | 4.1098 | 246.9752 | 872.039 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 5 | 1 | 6 | 6 | 6 | 13 | 0 | 10 | 0 | 2 | 2 | 332 | Compound.29 | -10.0 | 6.059487818 | 10.59488569 | 36.42597977 | 36.10735481 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 138.9756303 | 52.4707174 | 71.5042498 | 42.49351524 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 8 | O=C1N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@H]1Cc1ccccc1 | 101.6639277 | 46.34600331 | 0.0 | 36.42597977 | 0.0 | 80.71782912 | 6.496859684 | 179.0082017 | 0 | 0.0 | null | null | null | null | ['F', 'dF', 'F', 'F', 'dP', 'Ala(indol-2-yl)'] | [1.0159999999999998, 1.0159999999999998, 1.0159999999999998, 1.0159999999999998, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 87.92420587 | 60.63184761 | 0.0 | 105.1192359 | 151.0604677 | 8.47105247 | 10.90292493 | 0 | 2015_Wang | 1073 | null | 181.6 | null | 483.3456862 | 0.0 | 96.70370498 | -12.21400652 | -13.78495469 | -23.83095871 | -84.01533759 | -38.8334335 | -5.537366844 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.120609649 | null |
1689d3a7b5dd374bc6c715ef9008baf0f5d82f97d6545de85d7ba24317261361 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,073 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'Ala(indol-2-yl)', 'L', 'dP', 'Ala(indol-2-yl)'] | 60 | 1074 | -10.0 | -10 | Circle | 7 | 8.65e-18 | -2.7052143 | -6.05e-17 | -2.893904883 | 1.87e-16 | -1.135351009 | 3.5e-15 | -0.249287767 | 2.216767725 | 4771.263022 | 173.0 | null | -10.0 | 94.82050808 | 88.52719851 | 28.52719851 | 52.02584988 | 44.9065556 | 15.27606043 | 10.54682075 | 10.54682075 | 6.530744091 | 6.530744091 | 4.255494002 | 4.255494002 | null | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | null | 316.4718689 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 53.54175073 | 808.4635816 | 0.661016949 | 1.06779661 | 1.559322034 | 0.511111111 | 173.0 | PEPTIDE1074{L.[dL].[Ala(indol-2-yl)].L.[dP].[Ala(indol-2-yl)]}$PEPTIDE1074,PEPTIDE1074,1:R1-6:R2$$$ | PEPTIDE1074{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1074,PEPTIDE1074,1:R1-6:R2$$$ | -5.66 | 59 | 748.545 | 1074 | null | null | 6.52e+38 | 10.43415582 | 18.94262536 | 10.89417084 | 430.0247099 | null | 16.58948492 | 0.358312614 | 16.58948492 | 0.245339627 | 0.890928273 | 0.245339627 | -6.838031892 | -0.358312614 | 4.0013 | 226.7589 | 809.025 | Circle | 6 | 6 | null | 7 | 14 | null | null | 0 | 2 | 2 | 2 | 2 | 4 | 6 | 7 | 14 | 0 | 16 | 0 | 2 | 2 | 316 | Compound.30 | -10.0 | 2.987907845 | 5.996272728 | 41.40298304 | 36.10735481 | 9.882894548 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 77.36586495 | 84.48862082 | 92.38203349 | 21.9321369 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H](CC(C)C)NC1=O | 111.3003211 | 57.24892824 | 0.0 | 41.40298304 | 17.68187306 | 121.8291818 | 6.496859684 | 71.81204307 | 0 | 0.0 | null | null | null | null | ['L', 'dL', 'Ala(indol-2-yl)', 'L', 'dP', 'Ala(indol-2-yl)'] | [0.8193999999999995, 0.8193999999999995, 1.4972999999999996, 0.8193999999999995, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 44.89, 29.1, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 92.90120914 | 41.51307291 | 17.68187306 | 157.0140367 | 60.42418708 | 9.882894548 | 21.80584986 | 0 | 2015_Wang | 1074 | null | 197.39 | null | 534.4103715 | 0.0 | 94.6791177 | -15.81347477 | -8.565899209 | -43.85462251 | -56.90971249 | -42.23157134 | -38.29754219 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 7 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.126470186 | null |
1ca7258114e213c866ecc9e894d52440ce4427465ebd6c3e4e8942c49943ab60 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,074 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'Ala(indol-2-yl)', 'Ala(indol-2-yl)', 'dP', 'Ala(indol-2-yl)'] | 73 | 1075 | -10.0 | -10 | Circle | 9 | 1.75e-16 | -2.702705401 | 1.52e-16 | -2.893465088 | 1.08e-15 | -1.135350559 | 10.29828039 | -0.249287767 | 1.805474102 | 5426.016317 | 169.0 | null | -10.0 | 97.5166605 | 90.4744121 | 31.4744121 | 54.86195996 | 46.30098279 | 17.22327403 | 11.98083775 | 11.98083775 | 7.658859386 | 7.658859386 | 5.046805898 | 5.046805898 | null | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | null | 348.6600767 | 37.21589863 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 43.98752436 | 881.4588306 | 0.6 | 0.969230769 | 1.415384615 | 0.4 | 171.0 | PEPTIDE1075{L.L.[Ala(indol-2-yl)].[Ala(indol-2-yl)].[dP].[Ala(indol-2-yl)]}$PEPTIDE1075,PEPTIDE1075,1:R1-6:R2$$$ | PEPTIDE1075{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1075,PEPTIDE1075,1:R1-6:R2$$$ | -6.9 | 65 | 822.607 | 1075 | null | null | 7.39e+40 | 12.29999078 | 19.45875524 | 10.5643078 | 460.5308888 | null | 16.92701369 | 0.358312614 | 16.92701369 | 0.245735083 | 0.833200743 | 0.245735083 | -6.793624709 | -0.358312614 | 4.6792 | 249.3066 | 882.079 | Circle | 6 | 6 | null | 8 | 15 | null | null | 0 | 2 | 2 | 3 | 3 | 6 | 6 | 8 | 15 | 0 | 14 | 0 | 2 | 2 | 340 | Compound.31 | -10.0 | 2.955695603 | 10.17734202 | 46.37998631 | 36.10735481 | 11.29473663 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 81.78933684 | 89.69279987 | 100.3702772 | 28.78592968 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 8 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC1=O | 109.9706461 | 68.15185317 | 0.0 | 46.37998631 | 11.78791537 | 108.1253976 | 6.496859684 | 107.7180646 | 0 | 0.0 | null | null | null | null | ['L', 'L', 'Ala(indol-2-yl)', 'Ala(indol-2-yl)', 'dP', 'Ala(indol-2-yl)'] | [0.8193999999999995, 0.8193999999999995, 1.4972999999999996, 1.4972999999999996, 0.2794999999999998, 1.4972999999999996] | [29.1, 29.1, 44.89, 44.89, 20.31, 44.89] | 26.54906677 | 0.0 | 0.0 | 0.0 | 97.87821241 | 47.88599781 | 11.78791537 | 139.8897384 | 90.63628061 | 11.29473663 | 32.7087748 | 0 | 2015_Wang | 1075 | null | 213.18 | null | 534.1629337 | 0.0 | 95.32926287 | -16.79095256 | -12.53857536 | -37.25274665 | -64.32920267 | -41.26074464 | -27.31997472 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 8 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.097854632 | null |
59c4cbe58973ae2330c37ab5111f590df094e132023426cde1e5c3a9da4d7499 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,075 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dAla(indol-2-yl)', 'K', 'T', 'F', 'P', 'F'] | 45 | 1076 | -7.1 | -7.1 | Circle | 1 | 7.83e-18 | -2.677563395 | 1.05e-16 | -2.901704359 | 5.1e-16 | -1.086990475 | 10.30559219 | -0.245053434 | 2.156078368 | 4599.828396 | 197.0 | null | -6.03 | 89.33701593 | 82.4354468 | 28.4354468 | 50.0446286 | 41.74253484 | 15.25657778 | 10.1787313 | 10.1787313 | 6.430205079 | 6.430205079 | 4.037257286 | 4.037257286 | null | null | null | null | 308.9651952 | 26.24983018 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 48.16024113 | 806.4115461 | 0.830508475 | 1.440677966 | 2.13559322 | 0.409090909 | 196.0 | PEPTIDE1076{[dAla(indol-2-yl)].K.T.F.P.F}$PEPTIDE1076,PEPTIDE1076,1:R1-6:R2$$$ | PEPTIDE1076{<a href="/monomers/dAla(indol-2-yl)/">[dAla(indol-2-yl)]</a>.<a href="/monomers/K/">K</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/F/">F</a>}$PEPTIDE1076,PEPTIDE1076,1:R1-6:R2$$$ | -6.06 | 59 | 752.533 | 1076 | null | null | 8.59e+34 | 11.39770002 | 20.07372209 | 11.11819262 | 419.2152969 | null | 16.39803044 | 0.390716897 | 16.39803044 | 0.245675558 | 0.827090393 | 0.245675558 | -6.60753199 | -0.390716897 | 1.1342 | 221.2694 | 806.965 | Circle | 6 | 6 | null | 9 | 15 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 8 | 8 | 15 | 0 | 14 | 0 | 2 | 2 | 312 | Compound.32 | -7.1 | 3.884406287 | 6.292462149 | 47.25450493 | 38.93103897 | 8.47105247 | 36.87427803 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 78.5514432 | 73.81134092 | 68.35370989 | 36.23670626 | null | -7.1 | null | null | null | null | null | null | null | null | null | null | 6 | C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O | 106.8549029 | 46.34600331 | 1.431199657 | 36.42597977 | 5.719716976 | 100.0226642 | 12.99371937 | 107.4571116 | 0 | 0.0 | null | null | null | null | ['dAla(indol-2-yl)', 'K', 'T', 'F', 'P', 'F'] | [1.4972999999999996, 0.1629999999999996, -0.1918000000000002, 1.0159999999999998, 0.2794999999999998, 1.0159999999999998] | [44.89, 41.13, 38.33, 29.1, 20.31, 29.1] | 32.26878374 | 0.0 | 0.0 | 0.0 | 107.0410914 | 47.88599781 | 0.0 | 117.2214826 | 90.63628061 | 11.29473663 | 10.90292493 | 0 | 2015_Wang | 1076 | null | 227.85 | null | 480.1886724 | 0.0 | 94.7375496 | -9.282066581 | -10.60381201 | -24.63363739 | -65.8478941 | -51.33340111 | -15.89207749 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.102357844 | null |
48a044be1b16e3c1dd93409a2896949263f807a790d80a7e5e24fda71c32d38f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,077 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'G', 'F', 'L', 'dP', 'Y'] | 31 | 1078 | -8.0 | -8 | Circle | 5 | -4.61e-17 | -2.685539161 | 9.1e-17 | -2.875356095 | 3.2e-16 | -1.133158338 | 10.18170067 | -0.247872587 | 2.624428185 | 3338.691942 | 164.0 | null | -6.57 | 72.56351324 | 66.54101961 | 22.54101961 | 39.99248747 | 33.48007366 | 11.83575739 | 7.896107509 | 7.896107509 | 4.72693774 | 4.72693774 | 2.870539939 | 2.870539939 | null | null | null | null | 239.5476783 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 55.09620096 | 648.3271477 | 0.936170213 | 1.595744681 | 2.276595745 | 0.470588235 | 162.0 | PEPTIDE1078{A.G.F.L.[dP].Y}$PEPTIDE1078,PEPTIDE1078,1:R1-6:R2$$$ | PEPTIDE1078{<a href="/monomers/A/">A</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1078,PEPTIDE1078,1:R1-6:R2$$$ | -4.94 | 47 | 604.409 | 1078 | null | null | 1.32e+23 | 8.940087653 | 16.05709461 | 9.773548027 | 335.9737279 | null | 15.93876206 | 0.507966645 | 15.93876206 | 0.29309207 | 1.514436145 | 0.29309207 | -6.339479526 | -0.507966645 | 0.3034 | 172.5533 | 648.761 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 6 | 13 | 0 | 10 | 0 | 2 | 2 | 252 | Compound.34 | -8.0 | 5.884054641 | 0.566649465 | 36.55778469 | 35.83897418 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 49.39939772 | 28.42899658 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C1=O | 93.02406682 | 35.44307838 | 1.431199657 | 31.4489765 | 5.893957685 | 82.5097632 | 12.99371937 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['A', 'G', 'F', 'L', 'dP', 'Y'] | [-0.2068000000000003, -0.5953000000000002, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.96617767 | 41.51307291 | 5.893957685 | 102.8901792 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1078 | null | 186.04 | null | 378.4773953 | 0.0 | 89.47548525 | -6.196090024 | -4.612672635 | -29.73016217 | -46.28477048 | -27.32662692 | -26.30255833 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260140953 | null |
d2b70b8e3c17f61a8c42ac341588f021224d2a6802ae1b378da3b2b44173e043 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,078 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'G', 'F', 'dL', 'P', 'Y'] | 32 | 1079 | -7.15 | -7.15 | Circle | 4 | -4.61e-17 | -2.685539161 | 9.1e-17 | -2.875356095 | 3.2e-16 | -1.133158338 | 10.18170067 | -0.247872587 | 2.624428185 | 3338.691942 | 161.0 | null | -6.24 | 72.56351324 | 66.54101961 | 22.54101961 | 39.99248747 | 33.48007366 | 11.83575739 | 7.896107509 | 7.896107509 | 4.72693774 | 4.72693774 | 2.870539939 | 2.870539939 | null | null | null | null | 239.5476783 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 55.09620096 | 648.3271477 | 0.936170213 | 1.595744681 | 2.276595745 | 0.470588235 | 161.0 | PEPTIDE1079{[dA].G.F.[dL].P.Y}$PEPTIDE1079,PEPTIDE1079,1:R1-6:R2$$$ | PEPTIDE1079{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1079,PEPTIDE1079,1:R1-6:R2$$$ | -4.94 | 47 | 604.409 | 1079 | null | null | 1.32e+23 | 8.940087653 | 16.05709461 | 9.773548027 | 335.9737279 | null | 15.93876206 | 0.507966645 | 15.93876206 | 0.29309207 | 1.514436145 | 0.29309207 | -6.339479526 | -0.507966645 | 0.3034 | 172.5533 | 648.761 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 6 | 13 | 0 | 10 | 0 | 2 | 2 | 252 | Compound.35 | -7.15 | 5.884054641 | 0.566649465 | 36.55778469 | 35.83897418 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 49.39939772 | 28.42899658 | null | -7.15 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 93.02406682 | 35.44307838 | 1.431199657 | 31.4489765 | 5.893957685 | 82.5097632 | 12.99371937 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['dA', 'G', 'F', 'dL', 'P', 'Y'] | [-0.2068000000000003, -0.5953000000000002, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.96617767 | 41.51307291 | 5.893957685 | 102.8901792 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1079 | null | 186.04 | null | 378.4773953 | 0.0 | 89.47548525 | -6.196090024 | -4.612672635 | -29.73016217 | -46.28477048 | -27.32662692 | -26.30255833 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260140953 | null |
ae8bc13c24b8aa21b7f93aad4691927b902f863e50a460c435e91482ba2ed145 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,079 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'G', 'F', 'dL', 'L', 'Y'] | 32 | 1080 | -7.7 | -7.7 | Circle | 5 | 2.31e-18 | -2.702724253 | 3.46e-17 | -2.893754105 | 1.25e-16 | -1.135350541 | 5.14e-15 | -0.249287767 | 3.27801476 | 3428.010868 | 182.0 | null | -6.14 | 77.06351324 | 71.04101961 | 23.04101961 | 42.03116261 | 35.45368045 | 11.86215059 | 7.810697313 | 7.810697313 | 4.408383997 | 4.408383997 | 2.610490445 | 2.610490445 | null | null | null | null | 246.6855393 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 60.62031871 | 664.3584479 | 0.770833333 | 1.270833333 | 1.8125 | 0.485714286 | 180.0 | PEPTIDE1080{[dA].G.F.[dL].L.Y}$PEPTIDE1080,PEPTIDE1080,1:R1-6:R2$$$ | PEPTIDE1080{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1080,PEPTIDE1080,1:R1-6:R2$$$ | -4.94 | 48 | 616.42 | 1080 | null | null | 1.5e+24 | 8.796025218 | 17.83196593 | 12.01360696 | 348.8124683 | null | 15.82600838 | 0.507966645 | 15.82600838 | 0.29309207 | 1.580341347 | 0.29309207 | -6.532511002 | -0.507966645 | 0.8433 | 179.204 | 664.804 | Circle | 6 | 6 | null | 7 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 7 | 7 | 13 | 0 | 14 | 0 | 1 | 1 | 260 | Compound.36 | -7.7 | 4.228514152 | 0.476858588 | 36.96768831 | 35.83897418 | 8.47105247 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 69.70449942 | 54.59739769 | 47.01481371 | 28.42899658 | null | -7.7 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 98.54818457 | 35.44307838 | 1.431199657 | 31.85888012 | 11.78791537 | 89.84062253 | 6.496859684 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['dA', 'G', 'F', 'dL', 'L', 'Y'] | [-0.2068000000000003, -0.5953000000000002, 1.0159999999999998, 0.8193999999999995, 0.8193999999999995, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 29.1, 49.33] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 78.56940825 | 41.51307291 | 11.78791537 | 114.3333142 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2015_Wang | 1080 | null | 194.83 | null | 410.6231009 | 0.0 | 91.86828163 | -9.270336213 | -4.798482187 | -36.62946207 | -48.11252831 | -23.24406358 | -31.68651012 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.217251387 | null |
778396d73d8cc6650640a734715d42cda14b7871162b7043562462977cf3f013 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,080 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'G', 'dF', 'dL', 'P', 'Y'] | 32 | 1081 | -8.0 | -8 | Circle | 9 | -4.61e-17 | -2.685539161 | 9.1e-17 | -2.875356095 | 3.2e-16 | -1.133158338 | 10.18170067 | -0.247872587 | 2.624428185 | 3338.691942 | 170.0 | null | -6.85 | 72.56351324 | 66.54101961 | 22.54101961 | 39.99248747 | 33.48007366 | 11.83575739 | 7.896107509 | 7.896107509 | 4.72693774 | 4.72693774 | 2.870539939 | 2.870539939 | null | null | < -6.85 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | null | 239.5476783 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 55.09620096 | 648.3271477 | 0.936170213 | 1.595744681 | 2.276595745 | 0.470588235 | 166.0 | PEPTIDE1081{A.G.[dF].[dL].P.Y}$PEPTIDE1081,PEPTIDE1081,1:R1-6:R2$$$ | PEPTIDE1081{<a href="/monomers/A/">A</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1081,PEPTIDE1081,1:R1-6:R2$$$ | -4.94 | 47 | 604.409 | 1081 | null | null | 1.32e+23 | 8.940087653 | 16.05709461 | 9.773548027 | 335.9737279 | null | 15.93876206 | 0.507966645 | 15.93876206 | 0.29309207 | 1.514436145 | 0.29309207 | -6.339479526 | -0.507966645 | 0.3034 | 172.5533 | 648.761 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 6 | 13 | 0 | 10 | 0 | 2 | 2 | 252 | Compound.37 | -8.0 | 5.884054641 | 0.566649465 | 36.55778469 | 35.83897418 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 49.39939772 | 28.42899658 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 93.02406682 | 35.44307838 | 1.431199657 | 31.4489765 | 5.893957685 | 82.5097632 | 12.99371937 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['A', 'G', 'dF', 'dL', 'P', 'Y'] | [-0.2068000000000003, -0.5953000000000002, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.96617767 | 41.51307291 | 5.893957685 | 102.8901792 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1081 | null | 186.04 | null | 378.4773953 | 0.0 | 89.47548525 | -6.196090024 | -4.612672635 | -29.73016217 | -46.28477048 | -27.32662692 | -26.30255833 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260140953 | null |
9f1d762970809d758842987c9c56ba466b29fa9b72eea4b6199a00d51d62b7fc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,081 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'G', 'dF', 'L', 'P', 'Y'] | 32 | 1082 | -8.0 | -8 | Circle | 9 | -4.61e-17 | -2.685539161 | 9.1e-17 | -2.875356095 | 3.2e-16 | -1.133158338 | 10.18170067 | -0.247872587 | 2.624428185 | 3338.691942 | 159.0 | null | -7.05 | 72.56351324 | 66.54101961 | 22.54101961 | 39.99248747 | 33.48007366 | 11.83575739 | 7.896107509 | 7.896107509 | 4.72693774 | 4.72693774 | 2.870539939 | 2.870539939 | null | null | null | null | 239.5476783 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 55.09620096 | 648.3271477 | 0.936170213 | 1.595744681 | 2.276595745 | 0.470588235 | 175.0 | PEPTIDE1082{[dA].G.[dF].L.P.Y}$PEPTIDE1082,PEPTIDE1082,1:R1-6:R2$$$ | PEPTIDE1082{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1082,PEPTIDE1082,1:R1-6:R2$$$ | -4.94 | 47 | 604.409 | 1082 | null | null | 1.32e+23 | 8.940087653 | 16.05709461 | 9.773548027 | 335.9737279 | null | 15.93876206 | 0.507966645 | 15.93876206 | 0.29309207 | 1.514436145 | 0.29309207 | -6.339479526 | -0.507966645 | 0.3034 | 172.5533 | 648.761 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 6 | 13 | 0 | 10 | 0 | 2 | 2 | 252 | Compound.38 | -8.0 | 5.884054641 | 0.566649465 | 36.55778469 | 35.83897418 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 49.39939772 | 28.42899658 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 93.02406682 | 35.44307838 | 1.431199657 | 31.4489765 | 5.893957685 | 82.5097632 | 12.99371937 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['dA', 'G', 'dF', 'L', 'P', 'Y'] | [-0.2068000000000003, -0.5953000000000002, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.96617767 | 41.51307291 | 5.893957685 | 102.8901792 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1082 | null | 186.04 | null | 378.4773953 | 0.0 | 89.47548525 | -6.196090024 | -4.612672635 | -29.73016217 | -46.28477048 | -27.32662692 | -26.30255833 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260140953 | null |
db67b2b41f13c2a1645c26125b624de51812670152bb68ab3c3498264e7812d8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,082 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'G', 'F', 'L', 'P', 'Y'] | 31 | 1083 | -7.52 | -7.52 | Circle | 7 | -4.61e-17 | -2.685539161 | 9.1e-17 | -2.875356095 | 3.2e-16 | -1.133158338 | 10.18170067 | -0.247872587 | 2.624428185 | 3338.691942 | 166.0 | null | -6.85 | 72.56351324 | 66.54101961 | 22.54101961 | 39.99248747 | 33.48007366 | 11.83575739 | 7.896107509 | 7.896107509 | 4.72693774 | 4.72693774 | 2.870539939 | 2.870539939 | null | null | < -6.85 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | null | 239.5476783 | 15.07210859 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 55.09620096 | 648.3271477 | 0.936170213 | 1.595744681 | 2.276595745 | 0.470588235 | 163.0 | PEPTIDE1083{[dA].G.F.L.P.Y}$PEPTIDE1083,PEPTIDE1083,1:R1-6:R2$$$ | PEPTIDE1083{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1083,PEPTIDE1083,1:R1-6:R2$$$ | -4.94 | 47 | 604.409 | 1083 | null | null | 1.32e+23 | 8.940087653 | 16.05709461 | 9.773548027 | 335.9737279 | null | 15.93876206 | 0.507966645 | 15.93876206 | 0.29309207 | 1.514436145 | 0.29309207 | -6.339479526 | -0.507966645 | 0.3034 | 172.5533 | 648.761 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 6 | 13 | 0 | 10 | 0 | 2 | 2 | 252 | Compound.39 | -7.52 | 5.884054641 | 0.566649465 | 36.55778469 | 35.83897418 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 49.39939772 | 28.42899658 | null | -7.52 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 93.02406682 | 35.44307838 | 1.431199657 | 31.4489765 | 5.893957685 | 82.5097632 | 12.99371937 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['dA', 'G', 'F', 'L', 'P', 'Y'] | [-0.2068000000000003, -0.5953000000000002, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [29.1, 29.1, 29.1, 29.1, 20.31, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.96617767 | 41.51307291 | 5.893957685 | 102.8901792 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1083 | null | 186.04 | null | 378.4773953 | 0.0 | 89.47548525 | -6.196090024 | -4.612672635 | -29.73016217 | -46.28477048 | -27.32662692 | -26.30255833 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.260140953 | null |
48a4896c172343dad0b99a72c686cf5849d8bd2c01930d4370b5cfc849795cb7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,083 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'Sar', 'meF', 'L', 'dP', 'meY'] | 37 | 1084 | -6.46 | -6.46 | Circle | 1 | -1.01e-16 | -2.690633802 | -6.67e-17 | -2.859920186 | 2.54e-16 | -1.133181747 | 4.85e-15 | -0.248420485 | 2.829350869 | 3654.378554 | 119.0 | null | -5.97 | 80.06351324 | 74.04101961 | 24.04101961 | 43.62646207 | 37.30925326 | 12.50657778 | 8.566927902 | 8.566927902 | 5.311081975 | 5.311081975 | 3.200808658 | 3.200808658 | null | null | null | null | 259.2454481 | 15.11942764 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 53.56110831 | 690.3740979 | 0.94 | 1.62 | 2.26 | 0.513513514 | 118.0 | PEPTIDE1084{A.[Sar].[meF].L.[dP].[meY]}$PEPTIDE1084,PEPTIDE1084,1:R1-6:R2$$$ | PEPTIDE1084{<a href="/monomers/A/">A</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1084,PEPTIDE1084,1:R1-6:R2$$$ | -4.94 | 50 | 640.442 | 1084 | null | null | 4.21e+27 | 9.096962306 | 16.64379193 | 9.186652108 | 363.9541218 | null | 16.3143689 | 0.507966645 | 16.3143689 | 0.29309207 | 1.63482495 | 0.29309207 | -6.630359038 | -0.507966645 | 1.33 | 186.4352 | 690.842 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 3 | 13 | 0 | 13 | 0 | 2 | 2 | 270 | Compound.40 | -6.46 | 5.620116894 | 0.402274435 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 82.66370543 | 28.42899658 | null | -6.46 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CN(C)C(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C1=O | 101.1253676 | 35.44307838 | 1.431199657 | 30.21926563 | 5.893957685 | 82.5097632 | 33.92120007 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['A', 'Sar', 'meF', 'L', 'dP', 'meY'] | [-0.2068000000000003, -0.2531000000000001, 1.3581999999999996, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.5933876 | 41.51307291 | 5.893957685 | 115.2270062 | 54.38176837 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1084 | null | 159.67 | null | 435.3237406 | 0.0 | 86.53782417 | -0.694748099 | -5.053054796 | -32.00150613 | -49.68750933 | -28.75324543 | -44.42150103 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.412619442 | null |
4ccc136d5b8787e3456512747ebd68978d28465408c0674b17adec0117e6959b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,084 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'G', 'meF', 'meL', 'dP', 'meY'] | 37 | 1085 | -6.8 | -6.8 | Circle | 8 | -1.04e-16 | -2.707013798 | -4.57e-17 | -2.857659655 | 1.15e-16 | -1.133942038 | 6.26e-15 | -0.248418529 | 2.851262985 | 3654.378554 | 118.0 | null | -7.0 | 80.06351324 | 74.04101961 | 24.04101961 | 43.62646207 | 37.30925326 | 12.50657778 | 8.566927902 | 8.566927902 | 5.366983674 | 5.366983674 | 3.228759508 | 3.228759508 | null | null | null | null | 259.2454481 | 18.50212275 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 54.97295039 | 690.3740979 | 0.92 | 1.6 | 2.26 | 0.513513514 | 133.0 | PEPTIDE1085{A.G.[meF].[meL].[dP].[meY]}$PEPTIDE1085,PEPTIDE1085,1:R1-6:R2$$$ | PEPTIDE1085{<a href="/monomers/A/">A</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE1085,PEPTIDE1085,1:R1-6:R2$$$ | -4.94 | 50 | 640.442 | 1085 | null | null | 4.4800000000000005e+27 | 9.096962306 | 16.64379193 | 8.988156405 | 363.9541218 | null | 16.55837717 | 0.507966645 | 16.55837717 | 0.29309207 | 1.62700681 | 0.29309207 | -6.850613668 | -0.507966645 | 1.33 | 186.4352 | 690.842 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 3 | 13 | 0 | 13 | 0 | 2 | 2 | 270 | Compound.41 | -6.8 | 5.360058463 | 0.456253698 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 82.66370543 | 28.42899658 | null | -6.8 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N1C | 101.1253676 | 35.44307838 | 1.431199657 | 30.21926563 | 5.893957685 | 82.5097632 | 33.92120007 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['A', 'G', 'meF', 'meL', 'dP', 'meY'] | [-0.2068000000000003, -0.5953000000000002, 1.3581999999999996, 1.1616, 0.2794999999999998, 1.0637999999999996] | [29.1, 29.1, 20.31, 20.31, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.5933876 | 41.51307291 | 5.893957685 | 115.2270062 | 54.38176837 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1085 | null | 159.67 | null | 436.480703 | 0.0 | 86.12775526 | -0.284820805 | -5.072855727 | -32.10905473 | -49.93816352 | -29.06266629 | -44.8908972 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.412619442 | null |
616b457cf84eac4b96d8094108910eb4dd3575ec9d1ae4e8771bb033503a8e3d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,085 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'Sar', 'F', 'Me_dL', 'P', 'Y'] | 40 | 1086 | -7.15 | -7.15 | Circle | 6 | -1.01e-16 | -2.70342208 | -2.92e-17 | -2.858788636 | 1.53e-16 | -1.133952674 | 5.24e-15 | -0.248399903 | 2.82959372 | 3654.378554 | 142.0 | null | -6.2 | 80.06351324 | 74.04101961 | 24.04101961 | 43.62646207 | 37.30925326 | 12.50657778 | 8.566927902 | 8.566927902 | 5.311081975 | 5.311081975 | 3.200808658 | 3.200808658 | null | null | null | null | 259.2454481 | 16.4901862 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 52.19034976 | 690.3740979 | 0.94 | 1.62 | 2.26 | 0.513513514 | 139.0 | PEPTIDE1086{[Me_dA].[Sar].F.[Me_dL].P.Y}$PEPTIDE1086,PEPTIDE1086,1:R1-6:R2$$$ | PEPTIDE1086{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1086,PEPTIDE1086,1:R1-6:R2$$$ | -4.94 | 50 | 640.442 | 1086 | null | null | 1.2e+29 | 9.096962306 | 16.64379193 | 9.186652108 | 363.9541218 | null | 16.41517391 | 0.507966645 | 16.41517391 | 0.29309207 | 1.626581571 | 0.29309207 | -6.74761677 | -0.507966645 | 1.33 | 186.4352 | 690.842 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 3 | 13 | 0 | 13 | 0 | 2 | 2 | 270 | Compound.42 | -7.15 | 5.518098345 | 0.424903692 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 82.66370543 | 28.42899658 | null | -7.15 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N(C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 101.1253676 | 35.44307838 | 1.431199657 | 30.21926563 | 5.893957685 | 82.5097632 | 33.92120007 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'Sar', 'F', 'Me_dL', 'P', 'Y'] | [0.1353999999999999, -0.2531000000000001, 1.0159999999999998, 1.1616, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.5933876 | 41.51307291 | 5.893957685 | 115.2270062 | 54.38176837 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1086 | null | 159.67 | null | 435.4306981 | 0.0 | 86.36800454 | -0.525903802 | -5.007974729 | -32.04979029 | -49.6274837 | -28.69301634 | -44.64453381 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.412619442 | null |
95acd0832a0280c45c9eb364b605a82c36ec00e3c85bbb689277939f249a0ce5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,086 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'Sar', 'F', 'Me_dL', 'meL', 'Y'] | 42 | 1087 | -6.03 | -6.03 | Circle | 2 | -9.64e-17 | -2.726892962 | -7.57e-17 | -2.872208263 | 6.39e-17 | -1.136005416 | 1.63e-15 | -0.249287767 | 3.639713013 | 3851.336812 | 131.0 | null | -5.32 | 87.06351324 | 81.04101961 | 25.04101961 | 46.87646207 | 40.55925326 | 12.75657778 | 8.705124504 | 8.705124504 | 5.205876877 | 5.205876877 | 3.069482636 | 3.069482636 | null | null | null | null | 272.9492324 | 19.23170331 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 57.67338398 | 720.4210481 | 0.807692308 | 1.384615385 | 1.961538462 | 0.538461538 | 126.0 | PEPTIDE1087{[Me_dA].[Sar].F.[Me_dL].[meL].Y}$PEPTIDE1087,PEPTIDE1087,1:R1-6:R2$$$ | PEPTIDE1087{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1087,PEPTIDE1087,1:R1-6:R2$$$ | -4.94 | 52 | 664.464 | 1087 | null | null | 1.32e+30 | 9.045342108 | 18.52063625 | 11.02845795 | 386.1196602 | null | 16.77679522 | 0.507966645 | 16.77679522 | 0.29309207 | 1.730939482 | 0.29309207 | -7.117376549 | -0.507966645 | 2.2121 | 197.7132 | 720.912 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 7 | 3 | 13 | 0 | 18 | 0 | 1 | 1 | 284 | Compound.43 | -6.03 | 3.915676411 | 0.831047767 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 69.70449942 | 54.59739769 | 91.36722398 | 28.42899658 | null | -6.03 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N(C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 109.3499189 | 35.44307838 | 1.431199657 | 30.21926563 | 11.78791537 | 89.84062253 | 34.40016729 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'Sar', 'F', 'Me_dL', 'meL', 'Y'] | [0.1353999999999999, -0.2531000000000001, 1.0159999999999998, 1.1616, 1.1616, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 126.0723548 | 41.51307291 | 11.78791537 | 130.7824168 | 54.38176837 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1087 | null | 159.67 | null | 488.1591629 | 0.0 | 87.00182588 | -0.987068213 | -5.312351024 | -40.11493432 | -52.64622565 | -24.96214305 | -57.38826652 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.377329729 | null |
500df4ed58951ed1610d4145cab178d09cdf392dbd25172315c628c900ba3428 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,087 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meA', 'Sar', 'dF', 'dL', 'P', 'Y'] | 36 | 1088 | -7.52 | -7.52 | Circle | 3 | -6.05e-17 | -2.686416627 | 3.01e-18 | -2.866804751 | 1.29e-16 | -1.133178509 | 10.09799485 | -0.248257172 | 2.750471034 | 3548.72213 | 136.0 | null | -6.85 | 77.56351324 | 71.54101961 | 23.54101961 | 42.41513721 | 36.03286006 | 12.28297098 | 8.343321105 | 8.343321105 | 5.09773333 | 5.09773333 | 3.072085185 | 3.072085185 | null | null | < -6.85 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | null | 252.6795249 | 15.16051116 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 50.8195912 | 676.3584479 | 0.93877551 | 1.653061224 | 2.326530612 | 0.5 | 150.0 | PEPTIDE1088{[meA].[Sar].[dF].[dL].P.Y}$PEPTIDE1088,PEPTIDE1088,1:R1-6:R2$$$ | PEPTIDE1088{<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1088,PEPTIDE1088,1:R1-6:R2$$$ | -4.94 | 49 | 628.431 | 1088 | null | null | 8.37e+25 | 9.04059312 | 16.4448029 | 9.577994645 | 354.6273238 | null | 16.09850724 | 0.507966645 | 16.09850724 | 0.29309207 | 1.60126978 | 0.29309207 | -6.461158437 | -0.507966645 | 0.9878 | 181.8079 | 676.815 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 4 | 13 | 0 | 12 | 0 | 2 | 2 | 264 | Compound.44 | -7.52 | 5.931517273 | 0.708321116 | 35.73797744 | 35.83897418 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 71.57560286 | 28.42899658 | null | -7.52 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 98.424934 | 35.44307838 | 1.431199657 | 30.62916925 | 5.893957685 | 82.5097632 | 26.94537317 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['meA', 'Sar', 'dF', 'dL', 'P', 'Y'] | [0.1353999999999999, -0.2531000000000001, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 29.1, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.7176509 | 41.51307291 | 5.893957685 | 111.1147305 | 54.38176837 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1088 | null | 168.46 | null | 415.7424913 | 0.0 | 87.69351598 | -2.705196087 | -4.869607054 | -31.20953748 | -48.41150575 | -28.06091486 | -38.17924609 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.353954304 | null |
4d29812353da30edb6fc67142d8bb2971bd1d8c051f9206909dd6ad94cd42050 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,088 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'Sar', 'dF', 'L', 'P', 'Y'] | 37 | 1089 | -6.85 | -6.85 | Circle | 3 | -6.05e-17 | -2.686416627 | 3.01e-18 | -2.866804751 | 1.29e-16 | -1.133178509 | 10.09799485 | -0.248257172 | 2.750471034 | 3548.72213 | 140.0 | null | -6.85 | 77.56351324 | 71.54101961 | 23.54101961 | 42.41513721 | 36.03286006 | 12.28297098 | 8.343321105 | 8.343321105 | 5.09773333 | 5.09773333 | 3.072085185 | 3.072085185 | null | null | < -6.85 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | null | 252.6795249 | 15.16051116 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 50.8195912 | 676.3584479 | 0.93877551 | 1.653061224 | 2.326530612 | 0.5 | 141.0 | PEPTIDE1089{[Me_dA].[Sar].[dF].L.P.Y}$PEPTIDE1089,PEPTIDE1089,1:R1-6:R2$$$ | PEPTIDE1089{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/dF/">[dF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1089,PEPTIDE1089,1:R1-6:R2$$$ | -4.94 | 49 | 628.431 | 1089 | null | null | 8.37e+25 | 9.04059312 | 16.4448029 | 9.577994645 | 354.6273238 | null | 16.09850724 | 0.507966645 | 16.09850724 | 0.29309207 | 1.60126978 | 0.29309207 | -6.461158437 | -0.507966645 | 0.9878 | 181.8079 | 676.815 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 4 | 13 | 0 | 12 | 0 | 2 | 2 | 264 | Compound.45 | -6.85 | 5.931517273 | 0.708321116 | 35.73797744 | 35.83897418 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 71.57560286 | 28.42899658 | null | -6.85 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 98.424934 | 35.44307838 | 1.431199657 | 30.62916925 | 5.893957685 | 82.5097632 | 26.94537317 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'Sar', 'dF', 'L', 'P', 'Y'] | [0.1353999999999999, -0.2531000000000001, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 29.1, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.7176509 | 41.51307291 | 5.893957685 | 111.1147305 | 54.38176837 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1089 | null | 168.46 | null | 415.7424913 | 0.0 | 87.69351598 | -2.705196087 | -4.869607054 | -31.20953748 | -48.41150575 | -28.06091486 | -38.17924609 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.353954304 | null |
0053585e2ca314bea7278353785ba9317ce1cf6cc3a78817ff3aebb0d694e0a2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,089 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dA', 'Sar', 'F', 'meL', 'P', 'Y'] | 38 | 1090 | -10.0 | -10 | Circle | 6 | -1.01e-16 | -2.70342208 | -2.92e-17 | -2.858788636 | 1.53e-16 | -1.133952674 | 5.24e-15 | -0.248399903 | 2.82959372 | 3654.378554 | 142.0 | null | -6.85 | 80.06351324 | 74.04101961 | 24.04101961 | 43.62646207 | 37.30925326 | 12.50657778 | 8.566927902 | 8.566927902 | 5.311081975 | 5.311081975 | 3.200808658 | 3.200808658 | null | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | < -6.85 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | null | 259.2454481 | 16.4901862 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 52.19034976 | 690.3740979 | 0.94 | 1.62 | 2.26 | 0.513513514 | 143.0 | PEPTIDE1090{[Me_dA].[Sar].F.[meL].P.Y}$PEPTIDE1090,PEPTIDE1090,1:R1-6:R2$$$ | PEPTIDE1090{<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1090,PEPTIDE1090,1:R1-6:R2$$$ | -4.94 | 50 | 640.442 | 1090 | null | null | 1.2e+29 | 9.096962306 | 16.64379193 | 9.186652108 | 363.9541218 | null | 16.41517391 | 0.507966645 | 16.41517391 | 0.29309207 | 1.626581571 | 0.29309207 | -6.74761677 | -0.507966645 | 1.33 | 186.4352 | 690.842 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 3 | 13 | 0 | 13 | 0 | 2 | 2 | 270 | Compound.46 | -10.0 | 5.518098345 | 0.424903692 | 35.32807382 | 35.83897418 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 55.07636491 | 82.66370543 | 28.42899658 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@H](C)C(=O)N(C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N1C | 101.1253676 | 35.44307838 | 1.431199657 | 30.21926563 | 5.893957685 | 82.5097632 | 33.92120007 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Me_dA', 'Sar', 'F', 'meL', 'P', 'Y'] | [0.1353999999999999, -0.2531000000000001, 1.0159999999999998, 1.1616, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 20.31, 20.31, 49.33] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.5933876 | 41.51307291 | 5.893957685 | 115.2270062 | 54.38176837 | 2.823684157 | 0.0 | 0 | 2015_Wang | 1090 | null | 159.67 | null | 435.4306981 | 0.0 | 86.36800454 | -0.525903802 | -5.007974729 | -32.04979029 | -49.6274837 | -28.69301634 | -44.64453381 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.412619442 | null |
6db31f8f27c059032b981024d69b691667de4e616b5137f4ede4328e330cf5ed | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,090 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'Sar', 'F', 'L', 'P', 'Y'] | 34 | 1091 | -7.0 | -7 | Circle | 6 | -1.13e-16 | -2.705635439 | -2.51e-17 | -2.870012686 | 5.62e-17 | -1.134999589 | 2.44e-15 | -0.249287762 | 2.876362592 | 3865.945805 | 142.0 | null | -7.0 | 85.06351324 | 79.04101961 | 25.04101961 | 46.16513721 | 39.78286006 | 13.03297098 | 8.843321105 | 8.843321105 | 5.34113503 | 5.34113503 | 3.299854952 | 3.299854952 | null | null | null | null | 271.7982996 | 20.64354539 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 53.56110831 | 718.4053981 | 0.865384615 | 1.538461538 | 2.211538462 | 0.538461538 | 139.0 | PEPTIDE1091{[meL].[Sar].F.L.P.Y}$PEPTIDE1091,PEPTIDE1091,1:R1-6:R2$$$ | PEPTIDE1091{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1091,PEPTIDE1091,1:R1-6:R2$$$ | -4.94 | 52 | 664.464 | 1091 | null | null | 1.08e+32 | 9.220026026 | 18.0101692 | 10.54933008 | 382.1519732 | null | 16.42904544 | 0.507966645 | 16.42904544 | 0.29309207 | 1.672053232 | 0.29309207 | -6.763652162 | -0.507966645 | 2.014 | 195.5889 | 718.896 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 4 | 13 | 0 | 15 | 0 | 2 | 2 | 282 | Compound.47 | -7.0 | 4.503470284 | 0.38449095 | 35.73797744 | 35.83897418 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 69.70449942 | 60.49135537 | 79.8001542 | 28.42899658 | null | -7.0 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 106.6494853 | 35.44307838 | 1.431199657 | 30.62916925 | 11.78791537 | 95.73458022 | 26.94537317 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['meL', 'Sar', 'F', 'L', 'P', 'Y'] | [1.1616, -0.2531000000000001, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 29.1, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.7176509 | 41.51307291 | 11.78791537 | 132.5640989 | 54.38176837 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1091 | null | 168.46 | null | 472.135508 | 0.0 | 89.33468125 | -3.102308994 | -5.146590072 | -38.64000489 | -50.86107522 | -35.22977051 | -44.74043954 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.324005354 | null |
8f63695029ccc8f021729771376afadf6b48a3cf6116102f66599535cbae9acd | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,091 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'Me_dL', 'F', 'L', 'P', 'Y'] | 36 | 1092 | -6.39 | -6.39 | Circle | 1 | -2.16e-16 | -2.727276694 | -9.91e-17 | -2.88070412 | -1.37e-17 | -1.136006004 | 1.12e-15 | -0.249287767 | 3.094685581 | 4298.755177 | 133.0 | null | -4.92 | 95.06351324 | 89.04101961 | 27.04101961 | 51.16513721 | 44.78286006 | 14.03297098 | 9.580124504 | 9.580124504 | 5.803272864 | 5.803272864 | 3.606348191 | 3.606348191 | null | null | null | null | 297.2899992 | 26.16766313 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 59.00305902 | 774.4679983 | 0.75 | 1.321428571 | 1.964285714 | 0.581395349 | 151.0 | PEPTIDE1092{[meL].[Me_dL].F.L.P.Y}$PEPTIDE1092,PEPTIDE1092,1:R1-6:R2$$$ | PEPTIDE1092{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1092,PEPTIDE1092,1:R1-6:R2$$$ | -4.94 | 56 | 712.508 | 1092 | null | null | 4.71e+37 | 9.4994261 | 19.7737409 | 11.54777809 | 418.8515056 | null | 16.99199483 | 0.507966645 | 16.99199483 | 0.29309207 | 1.804916868 | 0.29309207 | -7.250078608 | -0.507966645 | 3.4287 | 213.9649 | 775.004 | Circle | 6 | 6 | null | 4 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 4 | 13 | 0 | 19 | 0 | 2 | 2 | 306 | Compound.48 | -6.39 | 2.692964274 | 0.347228546 | 35.73797744 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 83.40828366 | 72.75823796 | 92.1369812 | 20.56137834 | null | -6.39 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C1=O | 117.6155538 | 35.44307838 | 1.431199657 | 30.62916925 | 17.68187306 | 121.8291818 | 20.44851348 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['meL', 'Me_dL', 'F', 'L', 'P', 'Y'] | [1.1616, 1.1616, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, 0.7215999999999996] | [20.31, 20.31, 29.1, 29.1, 20.31, 49.33] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 113.2386837 | 41.51307291 | 17.68187306 | 163.6068765 | 54.38176837 | 4.235526235 | 0.0 | 0 | 2015_Wang | 1092 | null | 168.46 | null | 549.784193 | 0.0 | 92.07120887 | -3.838190952 | -5.548437106 | -47.42840515 | -61.12311105 | -43.45603266 | -51.71122494 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 3 | 3 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.287042606 | null |
e1c318f36d9645d26e60756da77a19aeb53b038b8812478c0ff7fca5f6da8d6e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,092 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['R', 'dR', 'R', 'K', 'dP', 'Ala(indol-2-yl)'] | 46 | 1093 | -10.0 | -10 | Circle | 8 | 2.79e-18 | -2.694408248 | -1.02e-16 | -2.895653313 | 1.23e-16 | -1.086970577 | 1.96e-15 | -0.189728494 | 2.970734068 | 4760.071646 | 348.0 | null | -6.85 | 102.5191787 | 95.05212087 | 30.05212087 | 56.29135851 | 46.93000712 | 15.48573521 | 9.920427549 | 9.920427549 | 5.906440693 | 5.906440693 | 3.604284655 | 3.604284655 | null | permeability values could not be determined due to poor sample solubility (permeability was set to -10 by CycPeptMPDB) | < -6.85 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | null | 320.4317283 | 28.99134729 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 16.20692507 | 60.9296293 | 879.5303728 | 0.761904762 | 1.26984127 | 1.80952381 | 0.575 | 336.0 | PEPTIDE1093{R.[dR].R.K.[dP].[Ala(indol-2-yl)]}$PEPTIDE1093,PEPTIDE1093,1:R1-6:R2$$$ | PEPTIDE1093{<a href="/monomers/R/">R</a>.<a href="/monomers/dR/">[dR]</a>.<a href="/monomers/R/">R</a>.<a href="/monomers/K/">K</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>}$PEPTIDE1093,PEPTIDE1093,1:R1-6:R2$$$ | -6.65 | 63 | 814.553 | 1093 | null | null | 1.36e+42 | 11.16445665 | 24.70595281 | 15.64414091 | 458.0164081 | null | 16.6250579 | 0.370160438 | 16.6250579 | 0.245328999 | 0.942765312 | 0.245328999 | -7.01362882 | -0.370160438 | -2.94219 | 236.749 | 880.073 | Circle | 6 | 6 | null | 20 | 23 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 10 | 16 | 23 | 0 | 19 | 0 | 2 | 2 | 346 | Compound.49 | -10.0 | -3.78455582 | 9.45347716 | 75.23428773 | 38.93103897 | 43.29182112 | 35.44307838 | 0.0 | 0.0 | 44.97414817 | 0.0 | 0.0 | 0.0 | 18.12725612 | 94.07009523 | 90.17678326 | 15.07834412 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 4 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC1=O | 118.6881997 | 64.22466701 | 16.20692507 | 52.35541983 | 22.8788679 | 112.5824536 | 32.48429842 | 35.90602153 | 0 | 0.0 | null | null | null | null | ['R', 'dR', 'R', 'K', 'dP', 'Ala(indol-2-yl)'] | [-0.9634299999999985, -0.9634299999999985, -0.9634299999999985, 0.1629999999999996, 0.2794999999999998, 1.4972999999999996] | [91.0, 91.0, 91.0, 41.13, 20.31, 44.89] | 65.35737473 | 0.0 | 0.0 | 0.0 | 131.7903083 | 35.14014801 | 16.20692507 | 137.4802369 | 30.21209354 | 28.23684157 | 10.90292493 | 0 | 2015_Wang | 1093 | null | 393.32 | null | 572.7244046 | 0.0 | 95.89452041 | -12.82647397 | -9.664887088 | -34.13628867 | -49.58405552 | -73.62390717 | -27.69997929 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 12 | 4 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.040543699 | null |
d86a4ce3841c38013bd09b610f0e3a1b2526b46a739b77473cf975117094a69b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,093 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dA', 'A', 'meA', 'A', 'meA', 'A'] | 35 | 1094 | -8.0 | -8 | Circle | 8 | -6.43e-17 | -2.64135625 | -9.36e-17 | -2.869780413 | 1.39e-18 | -1.014939906 | 1.29e-15 | -0.246794976 | 5.395693454 | 1958.372713 | 153.0 | null | -6.85 | 53.92820323 | 49.13277132 | 15.13277132 | 28.31495458 | 24.14409442 | 7.35524004 | 5.040590162 | 5.040590162 | 2.922246851 | 2.922246851 | 1.415452459 | 1.415452459 | null | < -8 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | < -6.85 (limit of detection issues prevented quantification of the absolute value of the apparent permeabilities) | null | 157.6525126 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 46.770125 | 454.2539828 | 0.59375 | 0.9375 | 1.28125 | 0.7 | 152.0 | PEPTIDE1094{[dA].A.[meA].A.[meA].A}$PEPTIDE1094,PEPTIDE1094,1:R1-6:R2$$$ | PEPTIDE1094{<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1094,PEPTIDE1094,1:R1-6:R2$$$ | -3.18 | 32 | 420.256 | 1094 | null | null | 1400000000000.0 | 5.652132883 | 10.91393459 | 6.408766604 | 235.3567923 | null | 14.39684202 | 0.342816103 | 14.39684202 | 0.244773808 | 1.899860348 | 0.244773808 | -5.60464976 | -0.342816103 | -2.2874 | 114.8828 | 454.528 | Circle | 6 | 6 | null | 4 | 12 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 4 | 12 | 0 | 8 | 0 | 1 | 1 | 180 | Compound.50 | -8.0 | 7.333603184 | -1.27190492 | 31.03907287 | 36.10735481 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 0.0 | 41.1113527 | 46.84985915 | 8.224551337 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)NC1=O | 75.5373481 | 35.44307838 | 0.0 | 31.03907287 | 0.0 | 77.21870751 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | ['dA', 'A', 'meA', 'A', 'meA', 'A'] | [-0.2068000000000003, -0.2068000000000003, 0.1353999999999999, -0.2068000000000003, 0.1353999999999999, -0.2068000000000003] | [29.1, 29.1, 20.31, 29.1, 20.31, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 95.30190645 | 28.7672231 | 0.0 | 82.23410939 | 0.0 | 5.647368313 | 0.0 | 0 | 2015_Wang | 1094 | null | 157.02 | null | 272.7485202 | 0.0 | 81.42657979 | -7.747353753 | 0.0 | -21.46412505 | -33.01052083 | 0.0 | -40.45310033 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.32276337 | null |
3517100f45ab33a7dde3279b676f572bf7f184f302940c3f6fed47bbab0bd228 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,094 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'F', 'F', 'Ala(indol-2-yl)', 'V', 'L'] | 44 | 1095 | -6.43 | -6.43 | Circle | 2 | 1.48e-17 | -2.697190548 | 1.37e-16 | -2.896702837 | 4.66e-16 | -1.133162814 | 10.14851734 | -0.249251049 | 2.188416388 | 4586.120518 | 154.0 | null | -6.62 | 89.55255888 | 83.07998491 | 28.07998491 | 49.79059275 | 42.26212841 | 15.07884684 | 10.23780376 | 10.23780376 | 6.396030496 | 6.396030496 | 4.052197624 | 4.052197624 | null | null | null | null | 310.2663424 | 27.62058873 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 48.01763299 | 789.4213825 | 0.724137931 | 1.275862069 | 1.896551724 | 0.422222222 | 154.0 | PEPTIDE1095{P.F.F.[Ala(indol-2-yl)].V.L}$PEPTIDE1095,PEPTIDE1095,1:R1-6:R2$$$ | PEPTIDE1095{<a href="/monomers/P/">P</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1095,PEPTIDE1095,1:R1-6:R2$$$ | -5.98 | 58 | 734.538 | 1095 | null | null | 4.87e+35 | 10.79096092 | 18.97528463 | 10.49446752 | 416.6483015 | null | 16.45206917 | 0.358312614 | 16.45206917 | 0.245339627 | 0.837052858 | 0.245339627 | -6.677389305 | -0.358312614 | 3.3265 | 220.9762 | 789.978 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 6 | 6 | 13 | 0 | 13 | 0 | 2 | 2 | 306 | Compound.51 | -6.43 | 4.481741018 | 5.227732949 | 36.42597977 | 36.10735481 | 8.47105247 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 105.9590117 | 59.50465469 | 75.20750267 | 28.78592968 | null | -6.43 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 104.4054448 | 46.34600331 | 0.0 | 36.42597977 | 11.78791537 | 101.7524727 | 6.496859684 | 107.4571116 | 0 | 0.0 | null | null | null | null | ['P', 'F', 'F', 'Ala(indol-2-yl)', 'V', 'L'] | [0.2794999999999998, 1.0159999999999998, 1.0159999999999998, 1.4972999999999996, 0.4292999999999995, 0.8193999999999995] | [20.31, 29.1, 29.1, 44.89, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 87.92420587 | 47.88599781 | 11.78791537 | 130.5143434 | 90.63628061 | 8.47105247 | 10.90292493 | 0 | 2015_Wang | 1095 | null | 181.6 | null | 490.5775163 | 0.0 | 94.95860045 | -13.21450126 | -9.107927261 | -36.924018 | -66.33865787 | -34.36850449 | -27.49917455 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.151407504 | null |
85bd42c75951b69a531de8ee3debbdf2ec2e993cab3a7e70a6912da45e0787a2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,096 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'G', 'L', 'V', 'I', 'Y'] | 30 | 1097 | -10.0 | -10 | Circle | 5 | -1.27e-16 | -2.709209637 | -9.12e-17 | -2.899072439 | -2.59e-17 | -1.133191663 | 1.6e-15 | -0.249284425 | 3.361348992 | 3282.017098 | 165.0 | null | -6.96 | 77.59941163 | 72.04101961 | 22.04101961 | 41.56706099 | 35.98007366 | 11.33575739 | 7.646107509 | 7.646107509 | 4.582142838 | 4.582142838 | 2.743090742 | 2.743090742 | null | null | null | null | 236.115725 | 17.17244771 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 56.42587599 | 642.3740979 | 1.0 | 1.739130435 | 2.413043478 | 0.636363636 | 165.0 | PEPTIDE1097{P.G.L.V.I.Y}$PEPTIDE1097,PEPTIDE1097,1:R1-6:R2$$$ | PEPTIDE1097{<a href="/monomers/P/">P</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE1097,PEPTIDE1097,1:R1-6:R2$$$ | -4.16 | 46 | 592.398 | 1097 | null | null | 3.46e+24 | 7.92477872 | 16.41542156 | 9.669066363 | 341.1711673 | null | 15.9979404 | 0.507966645 | 15.9979404 | 0.29309207 | 1.637117902 | 0.29309207 | -6.681157736 | -0.507966645 | 0.7429 | 171.0263 | 642.798 | Circle | 6 | 6 | null | 6 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 6 | 13 | 0 | 14 | 0 | 2 | 2 | 254 | Compound.53 | -10.0 | 4.507705087 | -1.381794704 | 36.55778469 | 35.83897418 | 7.059210392 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 59.56911502 | 54.44893667 | 58.10481694 | 21.5752038 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 101.2486182 | 35.44307838 | 1.431199657 | 31.4489765 | 17.68187306 | 103.0654396 | 12.99371937 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['P', 'G', 'L', 'V', 'I', 'Y'] | [0.2794999999999998, -0.5953000000000002, 0.8193999999999995, 0.4292999999999995, 0.8193999999999999, 0.7215999999999996] | [20.31, 29.1, 29.1, 29.1, 29.1, 49.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 89.96617767 | 35.14014801 | 17.68187306 | 132.4798803 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1097 | null | 186.04 | null | 428.4949975 | 0.0 | 91.08323495 | -7.846202704 | -2.517055127 | -44.10927723 | -39.94331171 | -28.03365975 | -43.37872589 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.253251627 | null |
2b58c84be395d2f511a22538763cd386e72645323c5de4a4541f7cf50404fbae | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,097 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['G', 'T', 'F', 'L', 'Y', 'V'] | 30 | 1098 | -7.4 | -7.4 | Circle | 4 | 3.62e-19 | -2.688382704 | 1.45e-16 | -2.905964242 | 3.7e-17 | -1.133270327 | 10.08401803 | -0.249251191 | 3.336444367 | 3454.210448 | 203.0 | null | -6.96 | 77.77062002 | 71.4492679 | 23.4492679 | 42.59182278 | 35.56605289 | 12.06627473 | 8.014821458 | 8.014821458 | 4.616861979 | 4.616861979 | 2.72140006 | 2.72140006 | null | null | null | null | 246.3926324 | 18.58428979 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 52.37404143 | 680.3533625 | 0.795918367 | 1.408163265 | 2.020408163 | 0.485714286 | 204.0 | PEPTIDE1098{G.T.F.L.Y.V}$PEPTIDE1098,PEPTIDE1098,1:R1-6:R2$$$ | PEPTIDE1098{<a href="/monomers/G/">G</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/V/">V</a>}$PEPTIDE1098,PEPTIDE1098,1:R1-6:R2$$$ | -4.98 | 49 | 632.419 | 1098 | null | null | 1.3599999999999998e+25 | 9.216167444 | 17.96753799 | 11.89186105 | 353.6933723 | null | 15.92623805 | 0.507966645 | 15.92623805 | 0.29309207 | 1.623883287 | 0.29309207 | -6.502818524 | -0.507966645 | -0.1859 | 180.5938 | 680.803 | Circle | 6 | 6 | null | 8 | 14 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 8 | 14 | 0 | 15 | 0 | 1 | 1 | 266 | Compound.54 | -7.4 | 3.817700588 | 1.547236887 | 42.0764965 | 35.83897418 | 8.47105247 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 69.70449942 | 48.22447279 | 44.27329659 | 35.87977317 | null | -7.4 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 102.2862342 | 35.44307838 | 2.862399314 | 31.85888012 | 11.78791537 | 89.54771566 | 6.496859684 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['G', 'T', 'F', 'L', 'Y', 'V'] | [-0.5953000000000002, -0.1918000000000002, 1.0159999999999998, 0.8193999999999995, 0.7215999999999996, 0.4292999999999995] | [29.1, 38.33, 29.1, 29.1, 49.33, 29.1] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 91.18943413 | 41.51307291 | 11.78791537 | 106.5896307 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2015_Wang | 1098 | null | 215.06 | null | 411.0937631 | 0.0 | 92.62515194 | -5.786392544 | -4.957456927 | -37.0723731 | -48.94464985 | -22.87094149 | -31.83710113 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.186714123 | null |
61d072418e2034d1fa575469c707b93f5354af26b03fafc1f79a7e64ebf724ca | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,098 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['G', 'V', 'G', 'F', 'Y', 'I'] | 30 | 1099 | -8.0 | -8 | Circle | 4 | -3.15e-19 | -2.689033073 | 8.72e-17 | -2.894030567 | 1.99e-16 | -1.12571884 | 10.12961398 | -0.249273412 | 3.188980494 | 3225.418054 | 190.0 | null | -7.22 | 72.06351324 | 66.04101961 | 22.04101961 | 39.53116261 | 32.95368045 | 11.36215059 | 7.448893914 | 7.448893914 | 4.357352961 | 4.357352961 | 2.516998858 | 2.516998858 | null | null | null | null | 233.9396895 | 21.23740433 | 14.38361155 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 53.76652592 | 636.3271477 | 0.826086957 | 1.413043478 | 2.02173913 | 0.454545455 | 186.0 | PEPTIDE1099{G.V.G.F.Y.I}$PEPTIDE1099,PEPTIDE1099,1:R1-6:R2$$$ | PEPTIDE1099{<a href="/monomers/G/">G</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/I/">I</a>}$PEPTIDE1099,PEPTIDE1099,1:R1-6:R2$$$ | -4.94 | 46 | 592.398 | 1099 | null | null | 6.67e+21 | 8.693677174 | 16.94356399 | 10.60011242 | 330.4627021 | null | 15.67609944 | 0.507966645 | 15.67609944 | 0.29309207 | 1.541652655 | 0.29309207 | -6.249325297 | -0.507966645 | 0.0647 | 169.992 | 636.75 | Circle | 6 | 6 | null | 7 | 13 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 7 | 7 | 13 | 0 | 12 | 0 | 1 | 1 | 248 | Compound.55 | -8.0 | 5.276725957 | 1.137136946 | 36.96768831 | 29.82108171 | 8.47105247 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 76.07742432 | 34.99965577 | 40.16102093 | 36.29661482 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC1=O | 93.06515034 | 35.44307838 | 1.431199657 | 31.85888012 | 11.78791537 | 70.59791305 | 12.99371937 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['G', 'V', 'G', 'F', 'Y', 'I'] | [-0.5953000000000002, 0.4292999999999995, -0.5953000000000002, 1.0159999999999998, 0.7215999999999996, 0.8193999999999999] | [29.1, 29.1, 29.1, 29.1, 49.33, 29.1] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 79.04837547 | 41.51307291 | 11.78791537 | 95.62546293 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2015_Wang | 1099 | null | 194.83 | null | 373.9198984 | 0.0 | 90.33356861 | -8.569736814 | -4.697111654 | -35.76351409 | -41.01950531 | -16.24945478 | -31.70414433 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.223282856 | null |
1dfd2da86180b8f681d8b8fd843b81c4b50278d402334514a0139480f8fab4f4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,099 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['G', 'T', 'F', 'L', 'Y', 'A'] | 30 | 1100 | -7.7 | -7.7 | Circle | 2 | 2.77e-17 | -2.685440268 | 9.55e-17 | -2.9011687 | 1.6e-16 | -1.133197304 | 10.20053862 | -0.248218633 | 3.226058248 | 3251.366879 | 199.0 | null | -6.34 | 72.77062002 | 66.4492679 | 22.4492679 | 40.09182278 | 33.06605289 | 11.56627473 | 7.639821458 | 7.639821458 | 4.38005858 | 4.38005858 | 2.558565625 | 2.558565625 | null | null | null | null | 233.6467826 | 16.44286715 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 53.82696703 | 652.3220624 | 0.85106383 | 1.468085106 | 2.085106383 | 0.454545455 | 210.0 | PEPTIDE1100{G.T.F.L.Y.A}$PEPTIDE1100,PEPTIDE1100,1:R1-6:R2$$$ | PEPTIDE1100{<a href="/monomers/G/">G</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1100,PEPTIDE1100,1:R1-6:R2$$$ | -4.98 | 47 | 608.397 | 1100 | null | null | 9.7e+21 | 9.126087568 | 17.07993843 | 11.39913835 | 335.3436061 | null | 15.71492003 | 0.507966645 | 15.71492003 | 0.29309207 | 1.552654849 | 0.29309207 | -6.370411116 | -0.507966645 | -0.822 | 171.4298 | 652.749 | Circle | 6 | 6 | null | 8 | 14 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 8 | 14 | 0 | 13 | 0 | 1 | 1 | 254 | Compound.56 | -7.7 | 4.540470642 | 1.545943806 | 42.0764965 | 35.83897418 | 8.47105247 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 49.18240722 | 38.79026237 | 35.87977317 | null | -7.7 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 96.80319998 | 35.44307838 | 2.862399314 | 31.85888012 | 5.893957685 | 82.69582354 | 6.496859684 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['G', 'T', 'F', 'L', 'Y', 'A'] | [-0.5953000000000002, -0.1918000000000002, 1.0159999999999998, 0.8193999999999995, 0.7215999999999996, -0.2068000000000003] | [29.1, 38.33, 29.1, 29.1, 49.33, 29.1] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 91.18943413 | 41.51307291 | 5.893957685 | 94.25470438 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2015_Wang | 1100 | null | 215.06 | null | 374.2326669 | 0.0 | 90.79225302 | -4.963454553 | -4.777107263 | -30.06881316 | -47.17444721 | -22.38012217 | -25.91097557 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.188684909 | null |
cae5e1fc08aac68bace1bf98769bd22293fca64bbb8a4bbf150f60be826b31b2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,100 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'Y', 'N', 'F', 'G', 'L'] | 30 | 1101 | -8.0 | -8 | Circle | 3 | 4.21e-17 | -2.680653999 | 1.23e-16 | -2.891903446 | 2.98e-16 | -1.133201437 | 10.40205357 | -0.24787023 | 3.157225836 | 3290.370646 | 235.0 | null | -7.7 | 72.71821378 | 65.89648149 | 22.89648149 | 40.13522188 | 32.77583859 | 11.78988153 | 7.740849877 | 7.740849877 | 4.390316733 | 4.390316733 | 2.593376886 | 2.593376886 | null | null | null | null | 238.7146941 | 13.70135004 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 55.21945153 | 665.3173113 | 0.916666667 | 1.520833333 | 2.166666667 | 0.424242424 | 233.0 | PEPTIDE1101{A.Y.N.F.G.L}$PEPTIDE1101,PEPTIDE1101,1:R1-6:R2$$$ | PEPTIDE1101{<a href="/monomers/A/">A</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/N/">N</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1101,PEPTIDE1101,1:R1-6:R2$$$ | -5.47 | 48 | 622.404 | 1101 | null | null | 1.71e+21 | 9.574263768 | 17.44770386 | 11.7138889 | 338.6752576 | null | 15.45369461 | 0.507966645 | 15.45369461 | 0.29309207 | 1.539230979 | 0.29309207 | -6.06442032 | -0.507966645 | -1.3274 | 173.5604 | 665.748 | Circle | 6 | 6 | null | 9 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 8 | 8 | 15 | 0 | 12 | 0 | 1 | 1 | 258 | Compound.57 | -8.0 | 5.136763403 | 1.521460875 | 42.68740529 | 35.83897418 | 11.29473663 | 41.35025811 | 1.431199657 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 56.00071519 | 42.3305151 | 37.41950381 | 34.80192148 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC1=O | 96.57109602 | 41.35025811 | 1.431199657 | 31.85888012 | 11.61367466 | 76.1368383 | 6.496859684 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['A', 'Y', 'N', 'F', 'G', 'L'] | [-0.2068000000000003, 0.7215999999999996, -1.3512999999999995, 1.0159999999999998, -0.5953000000000002, 0.8193999999999995] | [29.1, 49.33, 72.19, 29.1, 29.1, 29.1] | 37.5785971 | 0.0 | 5.749511833 | 0.0 | 84.47658798 | 46.30761009 | 5.893957685 | 91.03422005 | 54.38176837 | 11.29473663 | 0.0 | 0 | 2015_Wang | 1101 | null | 237.92 | null | 364.2475729 | 0.0 | 104.1715695 | -8.717800388 | -6.234213146 | -33.10321342 | -46.66187287 | -22.0801739 | -20.95520205 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.167773727 | null |
e95d1ad383c52520f1505b41c07cd5aa7627b9502b34dd39e99b16d25055b17e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,101 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['G', 'T', 'F', 'L', 'Y', 'T'] | 30 | 1102 | -7.7 | -7.7 | Circle | 2 | 3.45e-17 | -2.685966017 | 9.47e-17 | -2.909394833 | 3.78e-16 | -1.133204657 | 10.19662995 | -0.248223584 | 3.296502893 | 3387.245507 | 216.0 | null | -7.4 | 75.9777268 | 69.35751619 | 23.35751619 | 41.90248295 | 34.42842532 | 12.02039888 | 7.968945603 | 7.968945603 | 4.595134862 | 4.595134862 | 2.706459723 | 2.706459723 | null | null | null | null | 239.7268006 | 19.18438426 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 15.32642457 | 53.88740813 | 682.3326271 | 0.775510204 | 1.326530612 | 1.918367347 | 0.470588235 | 216.0 | PEPTIDE1102{G.T.F.L.Y.T}$PEPTIDE1102,PEPTIDE1102,1:R1-6:R2$$$ | PEPTIDE1102{<a href="/monomers/G/">G</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/T/">T</a>}$PEPTIDE1102,PEPTIDE1102,1:R1-6:R2$$$ | -5.02 | 49 | 636.407 | 1102 | null | null | 3.5e+23 | 9.602874141 | 17.93873712 | 11.86981247 | 349.3993932 | null | 15.85846027 | 0.507966645 | 15.85846027 | 0.29309207 | 1.601859012 | 0.29309207 | -6.455596301 | -0.507966645 | -1.4611 | 177.4366 | 682.775 | Circle | 6 | 6 | null | 9 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 9 | 15 | 0 | 15 | 0 | 1 | 1 | 266 | Compound.58 | -7.7 | 3.289221835 | 2.303822104 | 47.18530469 | 35.83897418 | 8.47105247 | 38.30547769 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 49.18240722 | 38.79026237 | 43.33054975 | null | -7.7 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 103.2827667 | 35.44307838 | 4.293598972 | 31.85888012 | 5.893957685 | 88.77584157 | 6.496859684 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['G', 'T', 'F', 'L', 'Y', 'T'] | [-0.5953000000000002, -0.1918000000000002, 1.0159999999999998, 0.8193999999999995, 0.7215999999999996, -0.1918000000000002] | [29.1, 38.33, 29.1, 29.1, 49.33, 38.33] | 31.85888012 | 0.0 | 5.749511833 | 0.0 | 103.80946 | 41.51307291 | 5.893957685 | 95.62546293 | 54.38176837 | 8.47105247 | 0.0 | 0 | 2015_Wang | 1102 | null | 235.29 | null | 392.5806773 | 0.0 | 92.04192497 | -1.740291773 | -4.892158612 | -30.83503954 | -48.29573789 | -28.2141433 | -26.14523118 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.158041931 | null |
a743744120a9bfc1ef1354b65f1a57b3f3d0058cdc7ec39c6045748b139f5588 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,102 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'F', 'F', 'Ala(indol-2-yl)', 'V', 'meL'] | 46 | 1103 | -10.0 | -10 | Circle | 3 | -6.41e-17 | -2.71411945 | -1.31e-18 | -2.891652424 | 3.51e-16 | -1.13393 | 10.10763737 | -0.249251189 | 2.23939652 | 4695.625459 | 152.0 | null | -5.17 | 92.05255888 | 85.57998491 | 28.57998491 | 51.00191762 | 43.53852161 | 15.30245364 | 10.46141055 | 10.46141055 | 6.609379141 | 6.609379141 | 4.180921097 | 4.180921097 | null | 0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB) | null | null | 316.8322657 | 26.20874666 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 52.12990866 | 803.4370325 | 0.762711864 | 1.338983051 | 1.949152542 | 0.434782609 | 152.0 | PEPTIDE1103{P.F.F.[Ala(indol-2-yl)].V.[meL]}$PEPTIDE1103,PEPTIDE1103,1:R1-6:R2$$$ | PEPTIDE1103{<a href="/monomers/P/">P</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Ala(indol-2-yl)/">[Ala(indol-2-yl)]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE1103,PEPTIDE1103,1:R1-6:R2$$$ | -5.98 | 59 | 746.549 | 1103 | null | null | 1.5199999999999999e+37 | 10.84510329 | 19.18164734 | 10.55978988 | 425.9750995 | null | 16.71355056 | 0.358312614 | 16.71355056 | 0.245555444 | 0.873933023 | 0.245555444 | -6.963847639 | -0.358312614 | 3.6687 | 225.6035 | 804.005 | Circle | 6 | 6 | null | 5 | 13 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 6 | 5 | 13 | 0 | 14 | 0 | 2 | 2 | 312 | Compound.59 | -10.0 | 4.287126501 | 5.283685001 | 36.01607615 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 105.9590117 | 59.50465469 | 86.29560524 | 28.78592968 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@H]1C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)N[C@@H](C(C)C)C(=O)N1C | 107.1058784 | 46.34600331 | 0.0 | 36.01607615 | 11.78791537 | 101.7524727 | 13.47268658 | 107.4571116 | 0 | 0.0 | null | null | null | null | ['P', 'F', 'F', 'Ala(indol-2-yl)', 'V', 'meL'] | [0.2794999999999998, 1.0159999999999998, 1.0159999999999998, 1.4972999999999996, 0.4292999999999995, 1.1616] | [20.31, 29.1, 29.1, 44.89, 29.1, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 99.7999425 | 47.88599781 | 11.78791537 | 134.6266191 | 90.63628061 | 7.059210392 | 10.90292493 | 0 | 2015_Wang | 1103 | null | 172.81 | null | 510.7802657 | 0.0 | 93.48262599 | -10.95916738 | -9.271666314 | -37.90145902 | -67.63607784 | -34.96553437 | -34.19565346 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.172905762 | null |
f0a1ad282a13e09df98f6f4468a9582305f7326e111574959b53a7412437e974 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,103 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'F', 'F', 'Me_Ala(indol-2-yl)', 'V', 'L'] | 47 | 1104 | -10.0 | -10 | Circle | 7 | -7.27e-17 | -2.698927623 | -3.95e-17 | -2.889773647 | 2.6e-16 | -1.133172103 | 10.1137275 | -0.249251149 | 2.245929197 | 4695.625459 | 138.0 | null | -5.77 | 92.05255888 | 85.57998491 | 28.57998491 | 51.00191762 | 43.53852161 | 15.30245364 | 10.46141055 | 10.46141055 | 6.609379141 | 6.609379141 | 4.180921097 | 4.180921097 | null | 0 (x 10^-6 cm/s) is the value described in the original paper (permeability was set to -10 by CycPeptMPDB) | null | null | 316.8322657 | 27.57950521 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 50.7591501 | 803.4370325 | 0.762711864 | 1.406779661 | 2.084745763 | 0.434782609 | 120.0 | PEPTIDE1104{P.F.F.[Me_Ala(indol-2-yl)].V.L}$PEPTIDE1104,PEPTIDE1104,1:R1-6:R2$$$ | PEPTIDE1104{<a href="/monomers/P/">P</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/Me_Ala(indol-2-yl)/">[Me_Ala(indol-2-yl)]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1104,PEPTIDE1104,1:R1-6:R2$$$ | -5.98 | 59 | 746.549 | 1104 | null | null | 1.3e+37 | 10.84510329 | 19.18164734 | 10.55978988 | 425.9750995 | null | 16.92644417 | 0.358312488 | 16.92644417 | 0.245429032 | 0.916559661 | 0.245429032 | -6.743593009 | -0.358312488 | 3.6687 | 225.6035 | 804.005 | Circle | 6 | 6 | null | 5 | 13 | null | null | 0 | 2 | 2 | 3 | 1 | 4 | 6 | 5 | 13 | 0 | 14 | 0 | 2 | 2 | 312 | Compound.60 | -10.0 | 4.407223116 | 5.300553013 | 36.01607615 | 36.10735481 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 105.9590117 | 59.50465469 | 86.29560524 | 28.78592968 | null | -10.0 | null | null | null | null | null | null | null | null | null | null | 6 | CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O | 107.1058784 | 46.34600331 | 0.0 | 36.01607615 | 11.78791537 | 101.7524727 | 13.47268658 | 107.4571116 | 0 | 0.0 | null | null | null | null | ['P', 'F', 'F', 'Me_Ala(indol-2-yl)', 'V', 'L'] | [0.2794999999999998, 1.0159999999999998, 1.0159999999999998, 1.8394999999999997, 0.4292999999999995, 0.8193999999999995] | [20.31, 29.1, 29.1, 36.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 99.7999425 | 47.88599781 | 11.78791537 | 134.6266191 | 90.63628061 | 7.059210392 | 10.90292493 | 0 | 2015_Wang | 1104 | null | 172.81 | null | 510.7991433 | 0.0 | 93.78102104 | -11.34145574 | -9.469043097 | -37.72284292 | -68.06733754 | -34.97005948 | -33.67609226 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.172905762 | null |
31a4d093ea97c6fe759c6d6b21fe043f869084dd6414bde032424bb15d6544b7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,104 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'T', 'F', 'L', 'Y', 'T'] | 32 | 1105 | -7.7 | -7.7 | Circle | 4 | -1.55e-17 | -2.686473262 | 8.7e-17 | -2.905522094 | 3.49e-16 | -1.133215507 | 10.12801778 | -0.248364528 | 3.370105845 | 3492.256887 | 208.0 | null | -6.77 | 78.4777268 | 71.85751619 | 23.85751619 | 43.11380782 | 35.70481853 | 12.24400568 | 8.192552401 | 8.192552401 | 4.752581807 | 4.752581807 | 2.807232346 | 2.807232346 | null | null | null | null | 246.2927239 | 19.95504835 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 15.32642457 | 51.02264045 | 696.3482771 | 0.82 | 1.4 | 2.0 | 0.485714286 | 208.0 | PEPTIDE1105{[Sar].T.F.L.Y.T}$PEPTIDE1105,PEPTIDE1105,1:R1-6:R2$$$ | PEPTIDE1105{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/T/">T</a>}$PEPTIDE1105,PEPTIDE1105,1:R1-6:R2$$$ | -5.02 | 50 | 648.418 | 1105 | null | null | 2.92e+25 | 9.644185844 | 18.10913728 | 11.5503657 | 358.7261912 | null | 15.94554705 | 0.507966645 | 15.94554705 | 0.29309207 | 1.634988943 | 0.29309207 | -6.511071508 | -0.507966645 | -1.1189 | 182.0639 | 696.802 | Circle | 6 | 6 | null | 8 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 8 | 15 | 0 | 16 | 0 | 1 | 1 | 272 | Compound.61 | -7.7 | 3.320527216 | 2.346891285 | 46.77540107 | 35.83897418 | 7.059210392 | 38.30547769 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 49.18240722 | 49.87836494 | 43.33054975 | null | -7.7 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 105.9832003 | 35.44307838 | 4.293598972 | 31.4489765 | 5.893957685 | 88.77584157 | 13.47268658 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Sar', 'T', 'F', 'L', 'Y', 'T'] | [-0.2531000000000001, -0.1918000000000002, 1.0159999999999998, 0.8193999999999995, 0.7215999999999996, -0.1918000000000002] | [20.31, 38.33, 29.1, 29.1, 49.33, 38.33] | 26.54906677 | 0.0 | 5.749511833 | 0.0 | 115.6851966 | 41.51307291 | 5.893957685 | 99.7377386 | 54.38176837 | 7.059210392 | 0.0 | 0 | 2015_Wang | 1105 | null | 226.5 | null | 411.0383188 | 0.0 | 91.17949327 | -0.008569487 | -4.984315025 | -31.56113687 | -49.17414605 | -28.65879754 | -32.08084709 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.167108431 | null |
5d82bbfa4428991c21e3375a1b1680e6f7d838137def32816a49729decf0948c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,105 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Sar', 'meT', 'F', 'L', 'Y', 'T'] | 34 | 1106 | -8.0 | -8 | Circle | 7 | -5.98e-17 | -2.68792789 | 1.21e-17 | -2.900761595 | 1.45e-16 | -1.133228994 | 10.088001 | -0.24847521 | 3.4490717 | 3597.697955 | 189.0 | null | -7.0 | 80.9777268 | 74.35751619 | 24.35751619 | 44.32513268 | 36.98121173 | 12.46761248 | 8.416159199 | 8.416159199 | 4.965930452 | 4.965930452 | 2.930826742 | 2.930826742 | null | null | null | null | 252.8586472 | 19.31387035 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 15.32642457 | 49.56971485 | 710.3639272 | 0.843137255 | 1.450980392 | 2.039215686 | 0.5 | 188.0 | PEPTIDE1106{[Sar].[meT].F.L.Y.T}$PEPTIDE1106,PEPTIDE1106,1:R1-6:R2$$$ | PEPTIDE1106{<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meT/">[meT]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Y/">Y</a>.<a href="/monomers/T/">T</a>}$PEPTIDE1106,PEPTIDE1106,1:R1-6:R2$$$ | -5.02 | 51 | 660.429 | 1106 | null | null | 3.45e+27 | 9.69020576 | 18.2845182 | 11.50585297 | 368.0529892 | null | 16.01820545 | 0.507966645 | 16.01820545 | 0.29309207 | 1.657384776 | 0.29309207 | -6.577275212 | -0.507966645 | -0.7767 | 186.6912 | 710.829 | Circle | 6 | 6 | null | 7 | 15 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 9 | 7 | 15 | 0 | 17 | 0 | 1 | 1 | 278 | Compound.62 | -8.0 | 3.335612874 | 2.409080266 | 46.36549745 | 35.83897418 | 5.647368313 | 38.30547769 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 56.00071519 | 49.18240722 | 60.96646751 | 43.33054975 | null | -8.0 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)CN(C)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 108.6836339 | 35.44307838 | 4.293598972 | 31.03907287 | 5.893957685 | 88.77584157 | 20.44851348 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['Sar', 'meT', 'F', 'L', 'Y', 'T'] | [-0.2531000000000001, -0.5037, 1.0159999999999998, 0.8193999999999995, 0.7215999999999996, -0.1918000000000002] | [20.31, 40.54, 29.1, 29.1, 49.33, 38.33] | 21.23925341 | 0.0 | 5.749511833 | 0.0 | 127.5609333 | 41.51307291 | 5.893957685 | 103.8500143 | 54.38176837 | 5.647368313 | 0.0 | 0 | 2015_Wang | 1106 | null | 217.71 | null | 429.9574468 | 0.0 | 90.06810221 | 1.98288767 | -5.082307996 | -32.28310699 | -50.15139418 | -29.15657679 | -38.33505072 | 0.0 | 1.0 | 2015 | null | null | null | null | null | null | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 2 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.182701334 | null |
fcd47f7f44fb2d9331a5ee5eb5fee51c53a64dd1c26507a9c2beca6095a06b28 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,106 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meL', 'L', 'Me_dA', 'meA', 'L', 'meL', 'L', 'Me_dA', 'meA'] | 66 | 1107 | -4.61 | -4.61 | Circle | 8 | -3.49e-16 | -2.728399786 | -3.82e-16 | -2.879137292 | -2e-16 | -1.136035012 | 1.22e-16 | -0.249287769 | 8.056896225 | 5523.723165 | 149.0 | null | null | 141.5470054 | 133.5546189 | 35.55461886 | 72.9217906 | 66.14387258 | 17.35501819 | 11.9972684 | 11.9972684 | 6.899751335 | 6.899751335 | 3.882629628 | 3.882629628 | null | null | null | null | 394.9759646 | 35.80405655 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 98.69461604 | 1046.746739 | 0.364864865 | 0.594594595 | 0.837837838 | 0.814814815 | 149.0 | PEPTIDE1107{L.[meL].L.[Me_dA].[meA].L.[meL].L.[Me_dA].[meA]}$PEPTIDE1107,PEPTIDE1107,1:R1-10:R2$$$ | PEPTIDE1107{<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="... | -5.3 | 74 | 948.654 | 1107 | null | null | 4.09e+62 | 11.33086003 | 29.70170603 | 19.12350297 | 581.3683592 | -4.61 | 17.17209346 | 0.342505861 | 17.17209346 | 0.245081229 | 3.053443206 | 0.245081229 | -7.888909966 | -0.342505861 | 3.2574 | 286.4968 | 1047.438 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 34 | 0 | 1 | 1 | 424 | Compd.1 | null | -3.763004094 | -1.28729143 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 82.22270541 | 101.008864 | 156.9986801 | 13.70758556 | null | -4.61 | null | null | null | null | null | null | null | null | null | null | 1 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C1=O | 182.4440444 | 59.07179729 | 0.0 | 50.6387118 | 35.36374611 | 208.046748 | 41.8549614 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'meL', 'L', 'Me_dA', 'meA', 'L', 'meL', 'L', 'Me_dA', 'meA'] | [0.8193999999999995, 1.1616, 0.8193999999999995, 0.1353999999999999, 0.1353999999999999, 0.8193999999999995, 1.1616, 0.8193999999999995, 0.1353999999999999, 0.1353999999999999] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 47.94537184 | 35.36374611 | 276.7191276 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1107 | null | 238.26 | null | 865.3474947 | 0.0 | 150.0330779 | -13.23042846 | 0.0 | -91.98980182 | -76.1895328 | -43.55864202 | -138.7455008 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.222693994 | null |
511e80fa1266866872113a91df6ee70cccfa9ee1d56555f23c2c6fb9ea2efcee | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,107 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'Me_dA', 'meA', 'L', 'meA', 'L', 'Me_dA', 'meA'] | 66 | 1108 | -5.18 | -5.18 | Circle | 6 | -2.92e-16 | -2.709243512 | -2.76e-16 | -2.873251441 | -1.71e-16 | -1.134773862 | 3.75e-16 | -0.249287763 | 7.472075526 | 4890.707656 | 165.0 | null | null | 126.5470054 | 118.5546189 | 32.55461886 | 65.4217906 | 58.64387258 | 15.85501819 | 10.9972684 | 10.9972684 | 6.412947936 | 6.412947936 | 3.427090094 | 3.427090094 | null | null | null | null | 356.7384152 | 30.32102232 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 87.72854759 | 962.652839 | 0.382352941 | 0.573529412 | 0.75 | 0.791666667 | 167.0 | PEPTIDE1108{L.[meA].L.[Me_dA].[meA].L.[meA].L.[Me_dA].[meA]}$PEPTIDE1108,PEPTIDE1108,1:R1-10:R2$$$ | PEPTIDE1108{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="... | -5.3 | 68 | 876.588 | 1108 | null | null | 4.39e+53 | 10.7948331 | 26.45471443 | 16.44411546 | 526.3190606 | -5.18 | 16.52978587 | 0.342505863 | 16.52978587 | 0.245071284 | 2.867612705 | 0.245071284 | -7.348603193 | -0.342505863 | 1.205 | 258.9348 | 963.276 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 28 | 0 | 1 | 1 | 388 | Compd.2 | null | -1.680818375 | -1.327279835 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 54.81513694 | 90.17888305 | 140.5495774 | 13.70758556 | null | -5.18 | null | null | null | null | null | null | null | null | null | null | 1 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 165.9949418 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 181.5971139 | 41.8549614 | 0.0 | 0 | 0.0 | [['PAMPA']] | [7214] | [['-4.00']] | ['2021_Wang'] | ['L', 'meA', 'L', 'Me_dA', 'meA', 'L', 'meA', 'L', 'Me_dA', 'meA'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.1353999999999999, 0.1353999999999999, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.1353999999999999, 0.1353999999999999] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 47.94537184 | 23.57583074 | 233.8203909 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1108 | null | 238.26 | null | 746.4849842 | 0.0 | 146.0908258 | -12.16625514 | 0.0 | -74.27655045 | -71.89254624 | -27.5813661 | -122.4924255 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.271384869 | null |
15ed386bad104930908bf1a3f6853207a903e742982cf2cdacf592651b9ca96f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,108 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'meA', 'A', 'Me_dA', 'meA', 'A', 'meA', 'A', 'Me_dA', 'meA'] | 66 | 1109 | -6.12 | -6.12 | Circle | 7 | -1.51e-16 | -2.657364653 | -1.51e-16 | -2.86046545 | -1.57e-17 | -1.018343044 | 1.06e-15 | -0.246798979 | 6.354499019 | 3635.996583 | 182.0 | null | null | 96.54700538 | 88.55461886 | 26.55461886 | 50.4217906 | 43.64387258 | 12.85501819 | 8.997268397 | 8.997268397 | 5.439341138 | 5.439341138 | 2.627814426 | 2.627814426 | null | null | null | null | 280.2633163 | 0.0 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 85.15136457 | 794.4650382 | 0.339285714 | 0.535714286 | 0.714285714 | 0.722222222 | 176.0 | PEPTIDE1109{A.[meA].A.[Me_dA].[meA].A.[meA].A.[Me_dA].[meA]}$PEPTIDE1109,PEPTIDE1109,1:R1-10:R2$$$ | PEPTIDE1109{<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="... | -5.3 | 56 | 732.456 | 1109 | null | null | 4.4e+36 | 9.859908954 | 20.03657947 | 11.3744764 | 416.2204632 | -6.12 | 15.42829442 | 0.34280165 | 15.42829442 | 0.244989426 | 2.398406879 | 0.244989426 | -6.419738747 | -0.34280165 | -2.8998 | 203.8108 | 794.952 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 16 | 0 | 1 | 1 | 316 | Compd.3 | null | 2.403231247 | -0.989821233 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 0.0 | 68.51892117 | 107.6513721 | 13.70758556 | null | -6.12 | null | null | null | null | null | null | null | null | null | null | 1 | C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C1=O | 133.0967364 | 59.07179729 | 0.0 | 50.6387118 | 0.0 | 128.6978459 | 41.8549614 | 0.0 | 0 | 0.0 | null | null | null | null | ['A', 'meA', 'A', 'Me_dA', 'meA', 'A', 'meA', 'A', 'Me_dA', 'meA'] | [-0.2068000000000003, 0.1353999999999999, -0.2068000000000003, 0.1353999999999999, 0.1353999999999999, -0.2068000000000003, 0.1353999999999999, -0.2068000000000003, 0.1353999999999999, 0.1353999999999999] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 47.94537184 | 0.0 | 148.0229174 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1109 | null | 238.26 | null | 518.5873165 | 0.0 | 138.0836689 | -9.915255793 | 0.0 | -42.45248567 | -63.29857311 | 0.0 | -91.8380041 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.195236864 | null |
ae280dabf06306befe8e56279f178065c10233756b70812555ff2f0547b28278 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,109 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meL', 'L', 'Sar', 'P', 'L', 'meL', 'L', 'Sar', 'P'] | 58 | 1110 | -4.73 | -4.73 | Circle | 6 | -3.38e-16 | -2.724853115 | -3.48e-16 | -2.869913989 | -1.82e-16 | -1.13603079 | 4.08e-16 | -0.249287769 | 4.029187179 | 5545.483817 | 174.0 | null | null | 137.5470054 | 129.5546189 | 35.55461886 | 71.4217906 | 64.64387258 | 17.85501819 | 12.2472684 | 12.2472684 | 7.159492661 | 7.159492661 | 4.38747256 | 4.38747256 | null | null | null | null | 393.0600957 | 38.54557366 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 90.47006471 | 1042.715439 | 0.472972973 | 0.77027027 | 1.067567568 | 0.814814815 | 179.0 | PEPTIDE1110{L.[meL].L.[Sar].P.L.[meL].L.[Sar].P}$PEPTIDE1110,PEPTIDE1110,1:R1-10:R2$$$ | PEPTIDE1110{<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/P/">... | -5.3 | 74 | 948.654 | 1110 | null | null | 1.32e+62 | 11.60771873 | 28.55613651 | 17.93508104 | 573.7368149 | -4.73 | 17.12365493 | 0.342496432 | 17.12365493 | 0.24508123 | 2.676445436 | 0.24508123 | -7.747735197 | -0.342496432 | 2.7686 | 282.3128 | 1043.406 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 28 | 0 | 3 | 3 | 420 | Compd.4 | null | -2.408108703 | -1.201296266 | 50.6387118 | 48.14313975 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 82.22270541 | 99.09299513 | 147.8161944 | 29.44282204 | null | -4.73 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 35.36374611 | 194.0950942 | 53.89074634 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'meL', 'L', 'Sar', 'P', 'L', 'meL', 'L', 'Sar', 'P'] | [0.8193999999999995, 1.1616, 0.8193999999999995, -0.2531000000000001, 0.2794999999999998, 0.8193999999999995, 1.1616, 0.8193999999999995, -0.2531000000000001, 0.2794999999999998] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 47.94537184 | 35.36374611 | 269.3202245 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1110 | null | 238.26 | null | 834.4391121 | 0.0 | 150.115157 | -12.64520394 | 0.0 | -89.22965148 | -59.62757256 | -67.48147679 | -123.9036977 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.223101115 | null |
e0c54584959944802c83934d233bbb48133f85fb17fcc3b36b54a49ecfe72aed | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,110 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'Sar', 'P', 'L', 'meA', 'L', 'Sar', 'P'] | 58 | 1111 | -6.22 | -6.22 | Circle | 6 | -2.69e-16 | -2.701972724 | -2.5e-16 | -2.862202735 | -1.15e-16 | -1.134764706 | 5.99e-16 | -0.249287763 | 3.739717965 | 4912.343487 | 188.0 | null | null | 122.5470054 | 114.5546189 | 32.55461886 | 63.9217906 | 57.14387258 | 16.35501819 | 11.2472684 | 11.2472684 | 6.672689262 | 6.672689262 | 3.931933027 | 3.931933027 | null | null | null | null | 354.8225463 | 33.06253944 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 79.50399626 | 958.6215388 | 0.529411765 | 0.852941176 | 1.147058824 | 0.791666667 | 168.0 | PEPTIDE1111{L.[meA].L.[Sar].P.L.[meA].L.[Sar].P}$PEPTIDE1111,PEPTIDE1111,1:R1-10:R2$$$ | PEPTIDE1111{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/P/">... | -5.3 | 68 | 876.588 | 1111 | null | null | 2.1100000000000002e+52 | 11.09117713 | 25.34910254 | 15.35450837 | 518.6875162 | -6.22 | 16.46859462 | 0.342506018 | 16.46859462 | 0.245071165 | 2.490614935 | 0.245071165 | -7.17297464 | -0.342506018 | 0.7162 | 254.7508 | 959.244 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 22 | 0 | 3 | 3 | 384 | Compd.5 | null | -0.203807636 | -1.320517344 | 50.6387118 | 48.14313975 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 54.81513694 | 88.26301419 | 131.3670917 | 29.44282204 | null | -6.22 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)CN(C)C1=O | 160.5119075 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 167.6454601 | 53.89074634 | 0.0 | 0 | 0.0 | [['PAMPA']] | [7197] | [['-6.70']] | ['2021_Wang'] | ['L', 'meA', 'L', 'Sar', 'P', 'L', 'meA', 'L', 'Sar', 'P'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, -0.2531000000000001, 0.2794999999999998, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, -0.2531000000000001, 0.2794999999999998] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 47.94537184 | 23.57583074 | 226.4214878 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1111 | null | 238.26 | null | 716.1543699 | 0.0 | 146.1729049 | -11.58103062 | 0.0 | -71.71378127 | -55.90678144 | -50.79475346 | -108.1642613 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.26605717 | null |
7550af891f282938de8b7e069e5f584ab260e006a131d39dddcd44d5c93bd385 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,111 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'meA', 'A', 'Sar', 'P', 'A', 'meA', 'A', 'Sar', 'P'] | 58 | 1112 | -6.17 | -6.17 | Circle | 4 | -1.28e-16 | -2.631622163 | -1.07e-16 | -2.846853469 | 1.23e-18 | -1.013317097 | 3.05e-15 | -0.246795453 | 3.191412208 | 3681.250089 | 193.0 | null | null | 92.54700538 | 84.55461886 | 26.55461886 | 48.9217906 | 42.14387258 | 13.35501819 | 9.247268397 | 9.247268397 | 5.699082465 | 5.699082465 | 3.132657359 | 3.132657359 | null | null | null | null | 278.3474475 | 0.0 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 79.66833035 | 790.4337381 | 0.517857143 | 0.875 | 1.196428571 | 0.722222222 | 191.0 | PEPTIDE1112{A.[meA].A.[Sar].P.A.[meA].A.[Sar].P}$PEPTIDE1112,PEPTIDE1112,1:R1-10:R2$$$ | PEPTIDE1112{<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/P/">... | -5.3 | 56 | 732.456 | 1112 | null | null | 4.42e+35 | 10.21940228 | 19.03114186 | 10.50569606 | 408.5889189 | -6.17 | 15.21324896 | 0.342801805 | 15.21324896 | 0.24477381 | 2.058250831 | 0.24477381 | -6.175437351 | -0.342801805 | -3.3886 | 199.6268 | 790.92 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 10 | 0 | 3 | 3 | 312 | Compd.6 | null | 4.057737415 | -1.117371876 | 50.6387118 | 48.14313975 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 0.0 | 66.60305231 | 98.46888633 | 29.44282204 | null | -6.17 | null | null | null | null | null | null | null | null | null | null | 3 | C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN(C)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN(C)C1=O | 127.6137022 | 59.07179729 | 0.0 | 50.6387118 | 0.0 | 114.7461921 | 53.89074634 | 0.0 | 0 | 0.0 | null | null | null | null | ['A', 'meA', 'A', 'Sar', 'P', 'A', 'meA', 'A', 'Sar', 'P'] | [-0.2068000000000003, 0.1353999999999999, -0.2068000000000003, -0.2531000000000001, 0.2794999999999998, -0.2068000000000003, 0.1353999999999999, -0.2068000000000003, -0.2531000000000001, 0.2794999999999998] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 47.94537184 | 0.0 | 140.6240143 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1112 | null | 238.26 | null | 489.6371656 | 0.0 | 138.1657479 | -9.330031269 | 0.0 | -40.36403193 | -48.68852952 | -21.61599443 | -78.63765973 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.189935091 | null |
9ba45151a4752cc185b0dedcae4cf27e49a8daef28066484933c39811278d296 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,112 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'Me_dF', 'P', 'L', 'meA', 'L', 'Me_dF', 'P'] | 62 | 1113 | -5.82 | -5.82 | Circle | 2 | -2.7e-16 | -2.706384144 | -1.86e-16 | -2.870299798 | -7.69e-17 | -1.134761032 | 9.74e-16 | -0.249287763 | 2.854377628 | 6338.388858 | 179.0 | null | null | 142.4752086 | 133.5546189 | 39.55461886 | 75.77264356 | 67.14387258 | 20.35501819 | 13.97087519 | 13.97087519 | 8.596964931 | 8.596964931 | 5.225821205 | 5.225821205 | null | null | null | null | 438.1615517 | 52.25315922 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 76.76247915 | 1138.715439 | 0.487804878 | 0.792682927 | 1.085365854 | 0.64516129 | 179.0 | PEPTIDE1113{L.[meA].L.[Me_dF].P.L.[meA].L.[Me_dF].P}$PEPTIDE1113,PEPTIDE1113,1:R1-10:R2$$$ | PEPTIDE1113{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monom... | -6.86 | 82 | 1044.742 | 1113 | null | null | 1.95e+66 | 13.77785239 | 29.91644905 | 17.11271645 | 618.3912349 | -5.82 | 17.51693264 | 0.34250586 | 17.51693264 | 0.245890408 | 2.111348334 | 0.245890408 | -7.574410015 | -0.34250586 | 3.9388 | 312.8848 | 1139.494 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 10 | 4 | 20 | 0 | 26 | 0 | 3 | 3 | 452 | Compd.7 | null | -1.928981271 | 1.576936616 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 115.239324 | 99.38991717 | 149.5959757 | 27.41517112 | null | -5.82 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 192.4270949 | 40.89702697 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'meA', 'L', 'Me_dF', 'P', 'L', 'meA', 'L', 'Me_dF', 'P'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 1.3581999999999996, 0.2794999999999998, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 1.3581999999999996, 0.2794999999999998] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 189.5472073 | 60.69122164 | 23.57583074 | 253.9974934 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1113 | null | 238.26 | null | 851.8722083 | 0.0 | 154.276768 | -12.35485622 | -6.363965543 | -75.89196771 | -98.75944313 | -66.65503958 | -99.45703752 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.238949867 | null |
48a78229146e20da8795358ff4da463787380c912262827f2044e3c295e03c3c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,113 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'dP', 'meF', 'L', 'meA', 'L', 'dP', 'meF'] | 60 | 1114 | -4.94 | -4.94 | Circle | 9 | -2.39e-16 | -2.705162969 | -1.8e-16 | -2.871068303 | -9.11e-17 | -1.13475013 | 9e-16 | -0.249287762 | 2.854377628 | 6338.388858 | 152.0 | null | null | 142.4752086 | 133.5546189 | 39.55461886 | 75.77264356 | 67.14387258 | 20.35501819 | 13.97087519 | 13.97087519 | 8.596964931 | 8.596964931 | 5.225821205 | 5.225821205 | null | null | null | null | 438.1615517 | 52.25315922 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 76.76247915 | 1138.715439 | 0.487804878 | 0.804878049 | 1.109756098 | 0.64516129 | 154.0 | PEPTIDE1114{L.[meA].L.[dP].[meF].L.[meA].L.[dP].[meF]}$PEPTIDE1114,PEPTIDE1114,1:R1-10:R2$$$ | PEPTIDE1114{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/me... | -6.86 | 82 | 1044.742 | 1114 | null | null | 4.23e+65 | 13.77785239 | 29.91644905 | 17.11271645 | 618.3912349 | -4.94 | 17.30328492 | 0.342505664 | 17.30328492 | 0.245339745 | 2.10410423 | 0.245339745 | -7.558715313 | -0.342505664 | 3.9388 | 312.8848 | 1139.494 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 10 | 4 | 20 | 0 | 26 | 0 | 3 | 3 | 452 | Compd.8 | null | -1.853333742 | 1.56399123 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 115.239324 | 99.38991717 | 149.5959757 | 27.41517112 | null | -4.94 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 192.4270949 | 40.89702697 | 71.55109006 | 0 | 0.0 | [['PAMPA']] | [7196] | [['-5.30']] | ['2021_Wang'] | ['L', 'meA', 'L', 'dP', 'meF', 'L', 'meA', 'L', 'dP', 'meF'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 1.3581999999999996] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 189.5472073 | 60.69122164 | 23.57583074 | 253.9974934 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1114 | null | 238.26 | null | 851.6878329 | 0.0 | 154.3221038 | -12.40019194 | -6.330900416 | -75.88316578 | -98.65722871 | -66.71295117 | -99.35883199 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.238949867 | null |
73d8ad079c997c8bc19cfcace21237d53848140291d18d31027f3977823d7726 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,114 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'dP', 'meA', 'L', 'meA', 'L', 'dP', 'meA'] | 60 | 1115 | -5.19 | -5.19 | Circle | 8 | -2.55e-16 | -2.704413661 | -2.56e-16 | -2.867173516 | -1.17e-16 | -1.134756787 | 6.32e-16 | -0.249287762 | 3.875050346 | 5130.848867 | 189.0 | null | null | 127.5470054 | 119.5546189 | 33.55461886 | 66.4217906 | 59.64387258 | 16.85501819 | 11.72087519 | 11.72087519 | 7.110161532 | 7.110161532 | 4.145281671 | 4.145281671 | null | null | null | null | 367.5683961 | 30.32102232 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 87.72854759 | 986.652839 | 0.471428571 | 0.728571429 | 0.971428571 | 0.8 | 182.0 | PEPTIDE1115{L.[meA].L.[dP].[meA].L.[meA].L.[dP].[meA]}$PEPTIDE1115,PEPTIDE1115,1:R1-10:R2$$$ | PEPTIDE1115{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/me... | -5.3 | 70 | 900.61 | 1115 | null | null | 2.49e+56 | 11.25913616 | 25.70633771 | 14.86909852 | 537.0372825 | -5.19 | 16.75449004 | 0.342505863 | 16.75449004 | 0.245339745 | 2.693306951 | 0.245339745 | -7.316758719 | -0.342505863 | 1.4932 | 263.9408 | 987.298 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 24 | 0 | 3 | 3 | 396 | Compd.9 | null | -1.070698121 | -1.607988597 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 54.81513694 | 101.9667984 | 139.591643 | 13.70758556 | null | -5.19 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 165.9949418 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 193.3850293 | 40.89702697 | 0.0 | 0 | 0.0 | [['PAMPA']] | [7194] | [['-4.60']] | ['2021_Wang'] | ['L', 'meA', 'L', 'dP', 'meA', 'L', 'meA', 'L', 'dP', 'meA'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 189.5472073 | 47.94537184 | 23.57583074 | 245.6083062 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1115 | null | 238.26 | null | 756.7624861 | 0.0 | 148.2762966 | -12.00907835 | 0.0 | -73.646909 | -71.30946002 | -52.0862834 | -109.3203852 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.27353762 | null |
4ddb5a458976535676bb02faacea66176a426836bab15fb2f5bc94d255a4b5ce | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,115 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'dP', 'meV', 'L', 'meA', 'L', 'dP', 'meV'] | 60 | 1116 | -5.22 | -5.22 | Circle | 1 | -3.29e-16 | -2.716049884 | -3.32e-16 | -2.876122563 | -2.11e-16 | -1.134773561 | 2.22e-16 | -0.249287762 | 4.097033674 | 5542.464267 | 165.0 | null | null | 137.5470054 | 129.5546189 | 35.55461886 | 71.4217906 | 64.64387258 | 17.85501819 | 12.47087519 | 12.47087519 | 7.583768329 | 7.583768329 | 4.582753941 | 4.582753941 | null | null | null | null | 393.0600957 | 44.02860789 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 84.98703048 | 1042.715439 | 0.472972973 | 0.783783784 | 1.067567568 | 0.814814815 | 148.0 | PEPTIDE1116{L.[meA].L.[dP].[meV].L.[meA].L.[dP].[meV]}$PEPTIDE1116,PEPTIDE1116,1:R1-10:R2$$$ | PEPTIDE1116{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/me... | -5.3 | 74 | 948.654 | 1116 | null | null | 2.1599999999999997e+62 | 11.60771873 | 27.47558659 | 15.8679704 | 573.7368149 | -5.22 | 17.05868127 | 0.342505664 | 17.05868127 | 0.245339745 | 2.86323042 | 0.245339745 | -7.625420942 | -0.342505664 | 2.7654 | 282.2688 | 1043.406 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 10 | 4 | 20 | 0 | 28 | 0 | 3 | 3 | 420 | Compd.10 | null | -2.423184605 | -1.518033962 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 82.22270541 | 100.0509296 | 150.5577115 | 13.70758556 | null | -5.22 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 35.36374611 | 207.0888135 | 40.89702697 | 0.0 | 0 | 0.0 | [['PAMPA']] | [7211] | [['-4.40']] | ['2021_Wang'] | ['L', 'meA', 'L', 'dP', 'meV', 'L', 'meA', 'L', 'dP', 'meV'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.7715000000000001, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.2794999999999998, 0.7715000000000001] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 189.5472073 | 47.94537184 | 35.36374611 | 270.2781589 | 0.0 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1116 | null | 238.26 | null | 837.3260112 | 0.0 | 151.3179234 | -12.74860579 | 0.0 | -90.79152645 | -74.609122 | -53.8555511 | -124.9724626 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.249738554 | null |
55120ef30498fda474c5b91b3a61ad7e5b9f0edb2f58722b392d81ee56f14459 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,116 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meF', 'L', 'dP', 'meA', 'L', 'meF', 'L', 'dP', 'meA'] | 60 | 1117 | -5.65 | -5.65 | Circle | 2 | -2.54e-16 | -2.705776838 | -2.19e-16 | -2.872406895 | -5.37e-17 | -1.134735954 | 1.26e-15 | -0.249287762 | 2.854377628 | 6338.388858 | 151.0 | null | null | 142.4752086 | 133.5546189 | 39.55461886 | 75.77264356 | 67.14387258 | 20.35501819 | 13.97087519 | 13.97087519 | 8.596964931 | 8.596964931 | 5.225821205 | 5.225821205 | null | null | null | null | 438.1615517 | 52.25315922 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 76.76247915 | 1138.715439 | 0.487804878 | 0.804878049 | 1.109756098 | 0.64516129 | 150.0 | PEPTIDE1117{L.[meF].L.[dP].[meA].L.[meF].L.[dP].[meA]}$PEPTIDE1117,PEPTIDE1117,1:R1-10:R2$$$ | PEPTIDE1117{<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/me... | -6.86 | 82 | 1044.742 | 1117 | null | null | 9.09e+65 | 13.77785239 | 29.91644905 | 17.11271645 | 618.3912349 | -5.65 | 17.39441927 | 0.34250586 | 17.39441927 | 0.245339748 | 2.121343624 | 0.245339748 | -7.558715313 | -0.34250586 | 3.9388 | 312.8848 | 1139.494 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 10 | 4 | 20 | 0 | 26 | 0 | 3 | 3 | 452 | Compd.11 | null | -1.902623744 | 1.564152527 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 115.239324 | 99.38991717 | 149.5959757 | 27.41517112 | null | -5.65 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 192.4270949 | 40.89702697 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'meF', 'L', 'dP', 'meA', 'L', 'meF', 'L', 'dP', 'meA'] | [0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999, 0.8193999999999995, 1.3581999999999996, 0.8193999999999995, 0.2794999999999998, 0.1353999999999999] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 189.5472073 | 60.69122164 | 23.57583074 | 253.9974934 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1117 | null | 238.26 | null | 852.0678534 | 0.0 | 154.3419727 | -12.42006088 | -6.407313192 | -75.94836804 | -98.89475658 | -66.78743747 | -99.28522332 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.238949867 | null |
6729ce21316eb5d2b81755f00ec95fdceb8600284ece48afba96757236ceec2c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,117 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'Me_dF', 'meA', 'L', 'meA', 'L', 'Me_dF', 'meA'] | 66 | 1118 | -5.35 | -5.35 | Circle | 8 | -2.72e-16 | -2.710206743 | -2.19e-16 | -2.876650925 | -8.49e-17 | -1.134767449 | 5.76e-16 | -0.249287763 | 4.144634099 | 6091.976528 | 175.0 | null | null | 141.4752086 | 132.5546189 | 38.55461886 | 74.77264356 | 66.14387258 | 19.35501819 | 13.2472684 | 13.2472684 | 7.899751335 | 7.899751335 | 4.507629628 | 4.507629628 | null | null | null | null | 427.3315708 | 38.54557366 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 90.47006471 | 1114.715439 | 0.4125 | 0.65 | 0.875 | 0.633333333 | 163.0 | PEPTIDE1118{L.[meA].L.[Me_dF].[meA].L.[meA].L.[Me_dF].[meA]}$PEPTIDE1118,PEPTIDE1118,1:R1-10:R2$$$ | PEPTIDE1118{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dF/">[Me_dF]</a>.<a href="... | -6.86 | 80 | 1020.72 | 1118 | null | null | 3.95e+63 | 13.30499083 | 30.65038689 | 18.60874539 | 607.673013 | -5.35 | 17.31741074 | 0.342505863 | 17.31741074 | 0.245621951 | 2.123116545 | 0.245621951 | -7.590559786 | -0.342505863 | 3.6506 | 307.8788 | 1115.472 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 10 | 4 | 20 | 0 | 30 | 0 | 1 | 1 | 444 | Compd.12 | null | -2.253444405 | 2.168084096 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 115.239324 | 87.6020018 | 150.5539101 | 27.41517112 | null | -5.35 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 180.6391795 | 41.8549614 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'meA', 'L', 'Me_dF', 'meA', 'L', 'meA', 'L', 'Me_dF', 'meA'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 1.3581999999999996, 0.1353999999999999, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 1.3581999999999996, 0.1353999999999999] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 60.69122164 | 23.57583074 | 242.2095781 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1118 | null | 238.26 | null | 841.4717812 | 0.0 | 152.1302591 | -12.55099479 | -6.418235526 | -76.51280722 | -99.50526334 | -41.56584585 | -112.8822269 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.240803165 | null |
d9499ddefb60767941e56b4ca725d7fd4751645bc08e46870772e385020b67d6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,118 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'Me_dA', 'meF', 'L', 'meA', 'L', 'Me_dA', 'meF'] | 66 | 1119 | -6.25 | -6.25 | Circle | 4 | -2.72e-16 | -2.710040903 | -2.27e-16 | -2.877032476 | -1.02e-16 | -1.134768609 | 9.19e-16 | -0.249287763 | 4.144634099 | 6091.976528 | 153.0 | null | null | 141.4752086 | 132.5546189 | 38.55461886 | 74.77264356 | 66.14387258 | 19.35501819 | 13.2472684 | 13.2472684 | 7.899751335 | 7.899751335 | 4.507629628 | 4.507629628 | null | null | null | null | 427.3315708 | 38.54557366 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 90.47006471 | 1114.715439 | 0.4125 | 0.675 | 0.925 | 0.633333333 | 152.0 | PEPTIDE1119{L.[meA].L.[Me_dA].[meF].L.[meA].L.[Me_dA].[meF]}$PEPTIDE1119,PEPTIDE1119,1:R1-10:R2$$$ | PEPTIDE1119{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dA/">[Me_dA]</a>.<a href="... | -6.86 | 80 | 1020.72 | 1119 | null | null | 2.6199999999999997e+63 | 13.30499083 | 30.65038689 | 18.60874539 | 607.673013 | -6.25 | 17.18345766 | 0.342505863 | 17.18345766 | 0.245071284 | 2.114002296 | 0.245071284 | -7.572461678 | -0.342505863 | 3.6506 | 307.8788 | 1115.472 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 10 | 4 | 20 | 0 | 30 | 0 | 1 | 1 | 444 | Compd.13 | null | -2.186195162 | 2.159242106 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 115.239324 | 87.6020018 | 150.5539101 | 27.41517112 | null | -6.25 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 176.9610102 | 59.07179729 | 0.0 | 50.6387118 | 23.57583074 | 180.6391795 | 41.8549614 | 71.55109006 | 0 | 0.0 | [['PAMPA']] | [7198] | [['-5.90']] | ['2021_Wang'] | ['L', 'meA', 'L', 'Me_dA', 'meF', 'L', 'meA', 'L', 'Me_dA', 'meF'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.1353999999999999, 1.3581999999999996, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 0.1353999999999999, 1.3581999999999996] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 60.69122164 | 23.57583074 | 242.2095781 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1119 | null | 238.26 | null | 841.2232219 | 0.0 | 152.136633 | -12.55736873 | -6.372012213 | -76.51280722 | -99.37188278 | -41.47831458 | -112.9008028 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.240803165 | null |
99cba17ea3557c97734d2ba870e9b8d5908d1db21a8770142829751cc62cc755 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,119 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'meA', 'L', 'Me_dL', 'meF', 'L', 'meA', 'L', 'Me_dL', 'meF'] | 66 | 1120 | -6.3 | -6.3 | Circle | 8 | -3.77e-16 | -2.728118365 | -3.36e-16 | -2.8813156 | -1.79e-16 | -1.135788273 | 4.21e-16 | -0.249287767 | 4.440369567 | 6743.754978 | 182.0 | null | null | 156.4752086 | 147.5546189 | 41.55461886 | 82.27264356 | 73.64387258 | 20.85501819 | 14.2472684 | 14.2472684 | 8.386554734 | 8.386554734 | 4.963169161 | 4.963169161 | null | null | null | null | 465.5691202 | 49.51164211 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 95.95309893 | 1198.80934 | 0.38372093 | 0.639534884 | 0.906976744 | 0.666666667 | 180.0 | PEPTIDE1120{L.[meA].L.[Me_dL].[meF].L.[meA].L.[Me_dL].[meF]}$PEPTIDE1120,PEPTIDE1120,1:R1-10:R2$$$ | PEPTIDE1120{<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="... | -6.86 | 86 | 1092.786 | 1120 | null | null | 5.680000000000001e+72 | 13.7977925 | 33.88615059 | 21.22907845 | 662.7223117 | -6.3 | 17.92744891 | 0.342505861 | 17.92744891 | 0.245308006 | 2.256331115 | 0.245308006 | -8.122328017 | -0.342505861 | 5.703 | 335.4408 | 1199.634 | Circle | 10 | 10 | null | 4 | 20 | null | null | 0 | 1 | 1 | 2 | 0 | 2 | 10 | 4 | 20 | 0 | 36 | 0 | 1 | 1 | 480 | Compd.14 | null | -4.382029666 | 2.340676062 | 50.6387118 | 60.17892468 | 5.647368313 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 142.6468925 | 98.43198274 | 167.0030128 | 27.41517112 | null | -6.3 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C1=O | 193.4101129 | 59.07179729 | 0.0 | 50.6387118 | 35.36374611 | 207.0888135 | 41.8549614 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'meA', 'L', 'Me_dL', 'meF', 'L', 'meA', 'L', 'Me_dL', 'meF'] | [0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996, 0.8193999999999995, 0.1353999999999999, 0.8193999999999995, 1.1616, 1.3581999999999996] | [29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 20.31, 20.31] | 21.23925341 | 0.0 | 0.0 | 0.0 | 190.5051418 | 60.69122164 | 35.36374611 | 285.1083148 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2016_Fouché | 1120 | null | 238.26 | null | 963.0690984 | 0.0 | 155.87944 | -13.42209694 | -6.816836974 | -94.43703916 | -105.3639582 | -58.33949625 | -128.9024443 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 6 | 4 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.159924056 | null |
0f7dcf2b25de2812a77fe89e832935e435e9132e8839224bacb6470ee095e026 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,120 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'A', 'L', 'dP', 'F', 'L', 'A', 'L', 'dP', 'F'] | 52 | 1121 | -6.2 | -6.2 | Circle | 9 | -1.83e-16 | -2.694883841 | -1.46e-16 | -2.884740073 | -1.14e-16 | -1.13472557 | 1.32e-15 | -0.249287762 | 2.673844678 | 5905.490025 | 203.0 | null | null | 132.4752086 | 123.5546189 | 37.55461886 | 70.9273441 | 62.03829977 | 19.460591 | 13.076448 | 13.076448 | 7.743570351 | 7.743570351 | 4.766829014 | 4.766829014 | null | null | null | null | 411.8978586 | 52.41749331 | 47.94537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 65.7964107 | 1082.652839 | 0.474358974 | 0.782051282 | 1.115384615 | 0.620689655 | 188.0 | PEPTIDE1121{L.A.L.[dP].F.L.A.L.[dP].F}$PEPTIDE1121,PEPTIDE1121,1:R1-10:R2$$$ | PEPTIDE1121{<a href="/monomers/L/">L</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/F/">F</a>}$PEPTIDE11... | -6.86 | 78 | 996.698 | 1121 | null | null | 4.47e+60 | 13.47841007 | 29.20930529 | 18.10991986 | 581.084043 | -6.2 | 16.85879486 | 0.342806523 | 16.85879486 | 0.245339623 | 1.976065084 | 0.245339623 | -7.187692074 | -0.342806523 | 2.57 | 294.3756 | 1083.386 | Circle | 10 | 10 | null | 8 | 20 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 10 | 8 | 20 | 0 | 22 | 0 | 3 | 3 | 428 | Compd.15 | null | -1.48029182 | 1.147128595 | 52.27832629 | 60.17892468 | 11.29473663 | 59.07179729 | 0.0 | 0.0 | 47.94537184 | 0.0 | 0.0 | 0.0 | 115.239324 | 99.38991717 | 105.2435654 | 27.41517112 | null | -6.2 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O | 166.1592758 | 59.07179729 | 0.0 | 52.27832629 | 23.57583074 | 192.4270949 | 12.99371937 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['L', 'A', 'L', 'dP', 'F', 'L', 'A', 'L', 'dP', 'F'] | [0.8193999999999995, -0.2068000000000003, 0.8193999999999995, 0.2794999999999998, 1.0159999999999998, 0.8193999999999995, -0.2068000000000003, 0.8193999999999995, 0.2794999999999998, 1.0159999999999998] | [29.1, 29.1, 29.1, 20.31, 29.1, 29.1, 29.1, 29.1, 20.31, 29.1] | 42.47850683 | 0.0 | 0.0 | 0.0 | 142.0442608 | 60.69122164 | 23.57583074 | 237.5483907 | 60.42418708 | 11.29473663 | 0.0 | 0 | 2016_Fouché | 1121 | null | 273.42 | null | 768.7957574 | 0.0 | 160.8382035 | -22.6449006 | -5.885060356 | -71.93737939 | -93.16425172 | -63.8119775 | -70.52372463 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 10 | 0 | 0 | 0 | 2 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.153969169 | null |
cfff82a806fd66a096b87ce7ce1c0036ef612fc082bae05644d8c3c33e190814 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,121 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono35', 'G', 'L', 'G'] | 25 | 1122 | -5.81 | -5.81 | Circle | 9 | 1.85e-17 | -2.677187934 | 6.51e-17 | -2.841019878 | 3.28e-16 | -1.133160237 | 10.14528799 | -0.249183158 | 2.500618717 | 2805.340098 | 144.0 | null | null | 62.93627492 | 58.17173662 | 19.17173662 | 34.51333188 | 29.37048762 | 10.08163324 | 6.645438639 | 6.645438639 | 4.069207717 | 4.069207717 | 2.555262868 | 2.555262868 | null | null | null | null | 199.2012824 | 23.2904244 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 10.19736362 | 53.92879305 | 553.3012673 | 1.125 | 1.825 | 2.55 | 0.571428571 | 136.0 | PEPTIDE1122{[Mono35].G.L.G}$PEPTIDE1122,PEPTIDE1122,1:R1-4:R2$$$ | PEPTIDE1122{<a href="/monomers/Mono35/">[Mono35]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>}$PEPTIDE1122,PEPTIDE1122,1:R1-4:R2$$$ | -3.8 | 40 | 514.352 | 1122 | null | null | 1740000000000000.0 | 7.334666832 | 13.51190926 | 7.436049741 | 288.6092029 | null | 14.79153854 | 0.421285783 | 14.79153854 | 0.242523001 | 1.356992526 | 0.242523001 | -5.741424495 | -0.421285783 | 1.162 | 145.4928 | 553.664 | Circle | 4 | 4 | null | 4 | 12 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 8 | 4 | 12 | 0 | 8 | 0 | 1 | 1 | 216 | Compound.1 | -5.81 | 8.710431363 | 1.710622242 | 25.65640435 | 12.03578494 | 5.647368313 | 35.41016676 | 0.0 | 0.0 | 24.07805847 | 0.0 | 0.0 | 10.19736362 | 50.76776989 | 43.44596847 | 36.52961314 | 42.84936554 | null | -5.81 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@@H]1c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN21 | 77.21921745 | 23.62871892 | 0.0 | 36.33652676 | 5.893957685 | 76.49187073 | 19.49057905 | 47.55699287 | 0 | 0.0 | [['PAMPA']] | [7378] | [['-7.75']] | ['2022_Saunders'] | ['Mono35', 'G', 'L', 'G'] | [2.6872000000000007, -0.5953000000000002, 0.8193999999999995, -0.5953000000000002] | [71.26, 29.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 70.25235625 | 25.55107364 | 5.893957685 | 123.4046097 | 34.62924448 | 5.647368313 | 0.0 | 0 | 2016_Frost | 1122 | null | 158.56 | null | 336.8459783 | 0.0 | 56.85122032 | -0.991365978 | -1.934756238 | -23.90992495 | -29.28764397 | -25.20616571 | -29.86734182 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.429453954 | null |
98b116aae0795ca3020505761c00c24b82d210ac951bf7566ee0ceb320ab129c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,122 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono35', 'G', 'L', 'A'] | 25 | 1123 | -5.96 | -5.96 | Circle | 5 | -1.71e-17 | -2.680429979 | 3.64e-17 | -2.851477972 | 1.74e-16 | -1.133204695 | 2.46e-15 | -0.249183777 | 2.57304052 | 2911.575891 | 155.0 | null | null | 65.43627492 | 60.67173662 | 19.67173662 | 35.76333188 | 30.62048762 | 10.33163324 | 6.882242038 | 6.882242038 | 4.232042152 | 4.232042152 | 2.63398634 | 2.63398634 | null | null | null | null | 205.5742073 | 21.23740433 | 4.794537184 | 0 | 0 | 0 | 0 | 0 | 0 | 10.19736362 | 53.92879305 | 567.3169174 | 1.146341463 | 1.951219512 | 2.707317073 | 0.586206897 | 146.0 | PEPTIDE1123{[Mono35].G.L.A}$PEPTIDE1123,PEPTIDE1123,1:R1-4:R2$$$ | PEPTIDE1123{<a href="/monomers/Mono35/">[Mono35]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1123,PEPTIDE1123,1:R1-4:R2$$$ | -3.8 | 41 | 526.363 | 1123 | null | null | 5640000000000000.0 | 7.39346502 | 13.70887574 | 7.690471589 | 297.7840861 | null | 15.01047866 | 0.421285781 | 15.01047866 | 0.24272728 | 1.402137154 | 0.24272728 | -5.903924495 | -0.421285781 | 1.5505 | 150.0878 | 567.691 | Circle | 4 | 4 | null | 4 | 12 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 8 | 4 | 12 | 0 | 9 | 0 | 1 | 1 | 222 | Compound.8 | -5.96 | 8.169384409 | 1.061922208 | 25.65640435 | 18.05367741 | 5.647368313 | 35.41016676 | 0.0 | 0.0 | 24.07805847 | 0.0 | 0.0 | 10.19736362 | 50.76776989 | 50.29786058 | 40.64188881 | 34.9817473 | null | -5.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@@H]1c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]2CCCN21 | 79.96073456 | 23.62871892 | 0.0 | 36.33652676 | 5.893957685 | 89.36165532 | 12.99371937 | 47.55699287 | 0 | 0.0 | null | null | null | null | ['Mono35', 'G', 'L', 'A'] | [2.6872000000000007, -0.5953000000000002, 0.8193999999999995, -0.2068000000000003] | [71.26, 29.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 69.77338904 | 25.55107364 | 5.893957685 | 132.9980189 | 34.62924448 | 5.647368313 | 0.0 | 0 | 2016_Frost | 1123 | null | 158.56 | null | 355.2687305 | 0.0 | 57.81070805 | -1.418734529 | -2.014475625 | -24.67277594 | -35.54874888 | -25.59354402 | -30.08115955 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.423694527 | null |
376f790fc5ea629c9322350e945a011f510851f968218a062ef7d1d5dfc64226 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,123 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono35', 'A', 'L', 'G'] | 25 | 1124 | -5.42 | -5.42 | Circle | 7 | -1.15e-18 | -2.680810483 | 1.75e-17 | -2.853595906 | 1.79e-16 | -1.133205023 | 5.77e-15 | -0.249183777 | 2.563461284 | 2911.575891 | 127.0 | null | null | 65.43627492 | 60.67173662 | 19.67173662 | 35.76333188 | 30.62048762 | 10.33163324 | 6.882242038 | 6.882242038 | 4.232042152 | 4.232042152 | 2.63398634 | 2.63398634 | null | null | null | null | 205.5742073 | 18.49588722 | 4.794537184 | 0 | 0 | 0 | 0 | 0 | 0 | 10.19736362 | 56.67031016 | 567.3169174 | 1.146341463 | 1.951219512 | 2.707317073 | 0.586206897 | 139.0 | PEPTIDE1124{[Mono35].A.L.G}$PEPTIDE1124,PEPTIDE1124,1:R1-4:R2$$$ | PEPTIDE1124{<a href="/monomers/Mono35/">[Mono35]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>}$PEPTIDE1124,PEPTIDE1124,1:R1-4:R2$$$ | -3.8 | 41 | 526.363 | 1124 | null | null | 5640000000000000.0 | 7.39346502 | 13.70887574 | 7.690471589 | 297.7840861 | null | 15.10820521 | 0.421285783 | 15.10820521 | 0.242523201 | 1.376946165 | 0.242523201 | -5.903924495 | -0.421285783 | 1.5505 | 150.0878 | 567.691 | Circle | 4 | 4 | null | 4 | 12 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 8 | 4 | 12 | 0 | 9 | 0 | 1 | 1 | 222 | Compound.9 | -5.42 | 8.136791992 | 1.044511829 | 25.65640435 | 18.05367741 | 5.647368313 | 35.41016676 | 0.0 | 0.0 | 24.07805847 | 0.0 | 0.0 | 10.19736362 | 50.76776989 | 50.29786058 | 40.64188881 | 34.9817473 | null | -5.42 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@@H]1c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN21 | 79.96073456 | 23.62871892 | 0.0 | 36.33652676 | 5.893957685 | 89.36165532 | 12.99371937 | 47.55699287 | 0 | 0.0 | null | null | null | null | ['Mono35', 'A', 'L', 'G'] | [2.6872000000000007, -0.2068000000000003, 0.8193999999999995, -0.5953000000000002] | [71.26, 29.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 69.77338904 | 25.55107364 | 5.893957685 | 132.9980189 | 34.62924448 | 5.647368313 | 0.0 | 0 | 2016_Frost | 1124 | null | 158.56 | null | 355.2248497 | 0.0 | 57.82012258 | -1.389589345 | -1.963587297 | -24.64676026 | -35.49218806 | -25.67708821 | -30.12575912 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.423694527 | null |
c6045f004a70366bf8b19beebfadca47cf6553e1cfc57d1195fed7818a91cfe1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,124 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono35', 'A', 'L', 'A'] | 25 | 1125 | -5.47 | -5.47 | Circle | 2 | -6.1e-17 | -2.683870246 | 2.78e-19 | -2.861382178 | 1.1e-16 | -1.133248681 | 2.51e-15 | -0.249184408 | 2.635003754 | 3018.315364 | 133.0 | null | null | 67.93627492 | 63.17173662 | 20.17173662 | 37.01333188 | 31.87048762 | 10.58163324 | 7.119045437 | 7.119045437 | 4.394876587 | 4.394876587 | 2.712709813 | 2.712709813 | null | null | null | null | 211.9471322 | 13.01908852 | 14.38361155 | 0 | 0 | 0 | 0 | 0 | 0 | 10.19736362 | 55.2995516 | 581.3325675 | 1.047619048 | 1.738095238 | 2.428571429 | 0.6 | 133.0 | PEPTIDE1125{[Mono35].A.L.A}$PEPTIDE1125,PEPTIDE1125,1:R1-4:R2$$$ | PEPTIDE1125{<a href="/monomers/Mono35/">[Mono35]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1125,PEPTIDE1125,1:R1-4:R2$$$ | -3.8 | 42 | 538.374 | 1125 | null | null | 2.37e+18 | 7.456328953 | 13.9096649 | 7.52591479 | 306.9589692 | null | 15.18086361 | 0.421285781 | 15.18086361 | 0.24272748 | 1.422090793 | 0.24272748 | -6.066424495 | -0.421285781 | 1.939 | 154.6828 | 581.718 | Circle | 4 | 4 | null | 4 | 12 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 8 | 4 | 12 | 0 | 10 | 0 | 1 | 1 | 228 | Compound.10 | -5.47 | 7.599819004 | 0.905891525 | 25.65640435 | 24.07156987 | 5.647368313 | 35.41016676 | 0.0 | 0.0 | 24.07805847 | 0.0 | 0.0 | 10.19736362 | 50.76776989 | 57.1497527 | 44.75416447 | 27.11412905 | null | -5.47 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@@H]1c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN21 | 82.70225168 | 23.62871892 | 0.0 | 36.33652676 | 5.893957685 | 102.2314399 | 6.496859684 | 47.55699287 | 0 | 0.0 | null | null | null | null | ['Mono35', 'A', 'L', 'A'] | [2.6872000000000007, -0.2068000000000003, 0.8193999999999995, -0.2068000000000003] | [71.26, 29.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 69.29442182 | 25.55107364 | 5.893957685 | 142.5914282 | 34.62924448 | 5.647368313 | 0.0 | 0 | 2016_Frost | 1125 | null | 158.56 | null | 373.7800093 | 0.0 | 58.7796103 | -1.816957896 | -2.043306685 | -25.40961125 | -41.91388325 | -26.06446652 | -30.31139397 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.417087862 | null |
221f280590aff1dd995fe756124153d63b682571cdbc11a6bbc1ed1635839c46 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,125 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono35', 'F', 'L', 'L'] | 25 | 1126 | -4.89 | -4.89 | Circle | 2 | -6.75e-17 | -2.702269999 | -1.63e-17 | -2.873537276 | 2.78e-16 | -1.135352649 | 2.75e-15 | -0.249287767 | 2.463192553 | 3923.012974 | 140.0 | null | null | 82.90037653 | 77.67173662 | 24.67173662 | 45.43875836 | 39.37048762 | 13.08163324 | 8.744045437 | 8.744045437 | 5.381679986 | 5.381679986 | 3.424847647 | 3.424847647 | null | null | null | null | 266.3624847 | 24.8379881 | 19.17814874 | 0 | 0 | 0 | 0 | 0 | 0 | 10.19736362 | 52.3937004 | 699.4108178 | 0.823529412 | 1.333333333 | 1.901960784 | 0.538461538 | 156.0 | PEPTIDE1126{[Mono35].F.L.L}$PEPTIDE1126,PEPTIDE1126,1:R1-4:R2$$$ | PEPTIDE1126{<a href="/monomers/Mono35/">[Mono35]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>}$PEPTIDE1126,PEPTIDE1126,1:R1-4:R2$$$ | -4.58 | 51 | 646.473 | 1126 | null | null | 5.4e+30 | 8.953448276 | 17.56970811 | 10.02524142 | 375.1605947 | null | 16.12183566 | 0.421285781 | 16.12183566 | 0.243073119 | 1.557961805 | 0.243073119 | -6.58021011 | -0.421285781 | 4.188 | 192.9358 | 699.897 | Circle | 4 | 4 | null | 4 | 12 | null | null | 0 | 2 | 2 | 2 | 1 | 3 | 8 | 4 | 12 | 0 | 14 | 0 | 1 | 1 | 274 | Compound.11 | -4.89 | 5.195630954 | 2.548540763 | 25.65640435 | 24.07156987 | 5.647368313 | 35.41016676 | 0.0 | 0.0 | 24.07805847 | 0.0 | 0.0 | 10.19736362 | 94.68364766 | 61.27630255 | 57.98088216 | 33.96792184 | null | -4.89 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@@H]1c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN21 | 96.40983724 | 23.62871892 | 0.0 | 36.33652676 | 11.78791537 | 114.9772897 | 6.496859684 | 83.3325379 | 0 | 0.0 | null | null | null | null | ['Mono35', 'F', 'L', 'L'] | [2.6872000000000007, 1.0159999999999998, 0.8193999999999995, 0.8193999999999995] | [71.26, 29.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 69.29442182 | 31.92399854 | 11.78791537 | 168.2353901 | 64.84133801 | 5.647368313 | 0.0 | 0 | 2016_Frost | 1126 | null | 158.56 | null | 473.2340637 | 0.0 | 62.65003226 | -2.976124854 | -4.72536341 | -33.48021315 | -55.27862679 | -39.26389311 | -31.40987463 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.2590529 | null |
ba82cccc6ce5961fa3e293a511269f6e1cdf80b8789006e26609a5def76a7933 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,126 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono36', 'G', 'L', 'G'] | 25 | 1127 | -5.27 | -5.27 | Circle | 6 | -2.74e-17 | -2.676994908 | 1.14e-16 | -2.841127731 | 1.4e-15 | -1.133154384 | 10.31170547 | -0.245508086 | 2.218516221 | 3276.670417 | 144.0 | null | null | 67.90037653 | 62.67173662 | 21.67173662 | 37.93875836 | 31.87048762 | 11.58163324 | 7.645438639 | 7.645438639 | 4.694207717 | 4.694207717 | 2.986164567 | 2.986164567 | null | null | null | null | 228.1249353 | 23.97892145 | 4.794537184 | 0 | 0 | 0 | 0 | 0 | 0 | 10.19736362 | 51.18727594 | 615.3169174 | 0.955555556 | 1.555555556 | 2.222222222 | 0.454545455 | 143.0 | PEPTIDE1127{[Mono36].G.L.G}$PEPTIDE1127,PEPTIDE1127,1:R1-4:R2$$$ | PEPTIDE1127{<a href="/monomers/Mono36/">[Mono36]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>}$PEPTIDE1127,PEPTIDE1127,1:R1-4:R2$$$ | -4.58 | 45 | 574.407 | 1127 | null | null | 4.14e+20 | 8.60816167 | 14.93426359 | 8.534853065 | 320.111296 | null | 15.14688402 | 0.421272237 | 15.14688402 | 0.242523001 | 1.377378516 | 0.242523001 | -5.778897546 | -0.421272237 | 1.9947 | 165.3478 | 615.735 | Circle | 4 | 4 | null | 4 | 12 | null | null | 0 | 2 | 2 | 2 | 1 | 3 | 8 | 4 | 12 | 0 | 8 | 0 | 1 | 1 | 238 | Compound.23 | -5.27 | 8.015053489 | 3.228170416 | 25.65640435 | 12.03578494 | 5.647368313 | 35.41016676 | 0.0 | 0.0 | 24.07805847 | 0.0 | 0.0 | 10.19736362 | 74.12797131 | 49.00941996 | 32.41733747 | 49.70315832 | null | -5.27 | null | null | null | null | null | null | null | null | null | null | 5 | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2[C@H](Cc2ccccc2)c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 79.96073456 | 23.62871892 | 0.0 | 36.33652676 | 5.893957685 | 69.63997861 | 19.49057905 | 83.3325379 | 0 | 0.0 | null | null | null | null | ['Mono36', 'G', 'L', 'G'] | [3.5199000000000025, -0.5953000000000002, 0.8193999999999995, -0.5953000000000002] | [71.26, 29.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 70.25235625 | 31.92399854 | 5.893957685 | 118.4847613 | 64.84133801 | 5.647368313 | 0.0 | 0 | 2016_Frost | 1127 | null | 158.56 | null | 360.889772 | 0.0 | 57.78979654 | -0.80251974 | -3.993395594 | -24.06704723 | -37.86330852 | -25.30977829 | -25.39351915 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.327893778 | null |
da726d754a4142eb2378b9c0f2f2893fadcbcd161ce83ed8824d93c411d99912 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,127 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Mono37', 'G', 'L', 'G'] | 25 | 1128 | -5.27 | -5.27 | Circle | 5 | -9.22e-17 | -2.695217847 | -5.95e-17 | -2.8412324 | 1.17e-16 | -1.136499468 | 3.87e-15 | -0.249287755 | 2.590906258 | 3003.825139 | 133.0 | null | null | 67.93627492 | 63.17173662 | 20.17173662 | 37.01333188 | 31.87048762 | 10.58163324 | 7.020438639 | 7.020438639 | 4.194207717 | 4.194207717 | 2.673664567 | 2.673664567 | null | null | null | null | 211.9471322 | 23.97892145 | 4.794537184 | 0 | 0 | 0 | 0 | 0 | 0 | 10.19736362 | 53.92879305 | 581.3325675 | 1.023809524 | 1.666666667 | 2.380952381 | 0.6 | 145.0 | PEPTIDE1128{[Mono37].G.L.G}$PEPTIDE1128,PEPTIDE1128,1:R1-4:R2$$$ | PEPTIDE1128{<a href="/monomers/Mono37/">[Mono37]</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>}$PEPTIDE1128,PEPTIDE1128,1:R1-4:R2$$$ | -3.8 | 42 | 538.374 | 1128 | null | null | 2.32e+19 | 7.456328953 | 14.39176675 | 8.370891935 | 306.9589692 | null | 15.05687419 | 0.421285381 | 15.05687419 | 0.242523001 | 1.414654644 | 0.242523001 | -5.822477257 | -0.421285381 | 1.7981 | 154.6568 | 581.718 | Circle | 4 | 4 | null | 4 | 12 | null | null | 0 | 2 | 2 | 1 | 1 | 2 | 8 | 4 | 12 | 0 | 10 | 0 | 1 | 1 | 228 | Compound.27 | -5.27 | 7.612369861 | 1.326062312 | 25.65640435 | 12.03578494 | 5.647368313 | 35.41016676 | 0.0 | 0.0 | 24.07805847 | 0.0 | 0.0 | 10.19736362 | 57.61966201 | 49.33992615 | 42.01264736 | 42.84936554 | null | -5.27 | null | null | null | null | null | null | null | null | null | null | 4 | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2[C@H](CC(C)C)c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 82.70225168 | 23.62871892 | 0.0 | 36.33652676 | 11.78791537 | 83.34376285 | 19.49057905 | 47.55699287 | 0 | 0.0 | null | null | null | null | ['Mono37', 'G', 'L', 'G'] | [3.3233000000000024, -0.5953000000000002, 0.8193999999999995, -0.5953000000000002] | [71.26, 29.1, 29.1, 29.1] | 21.23925341 | 0.0 | 0.0 | 0.0 | 70.25235625 | 25.55107364 | 11.78791537 | 135.739536 | 34.62924448 | 5.647368313 | 0.0 | 0 | 2016_Frost | 1128 | null | 158.56 | null | 373.7225795 | 0.0 | 57.29878822 | -1.37225358 | -2.025045494 | -30.09986846 | -30.55538003 | -26.37890956 | -35.58991059 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.402062058 | null |
4dc36cad774e0750b4d9f229b329b304cb7ccc131f2c265055a3add56ad7dedb | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,128 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'G', 'L', 'G', 'F', 'A'] | 30 | 1129 | -6.89 | -6.89 | Circle | 7 | -5.21e-17 | -2.677055551 | -2.09e-17 | -2.866339667 | 5.15e-17 | -1.133157931 | 10.13172971 | -0.247865746 | 2.931360151 | 2631.703396 | 141.0 | null | null | 61.89230485 | 56.63277132 | 18.63277132 | 33.52905619 | 28.36770122 | 9.631633242 | 6.330179965 | 6.330179965 | 3.718639533 | 3.718639533 | 2.228466513 | 2.228466513 | null | null | null | null | 198.1710825 | 28.7672231 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 52.29424275 | 542.2852829 | 1.025641026 | 1.692307692 | 2.358974359 | 0.555555556 | 138.0 | PEPTIDE1129{P.G.L.G.F.A}$PEPTIDE1129,PEPTIDE1129,1:R1-6:R2$$$ | PEPTIDE1129{<a href="/monomers/P/">P</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1129,PEPTIDE1129,1:R1-6:R2$$$ | -3.96 | 39 | 504.333 | 1129 | null | null | 439000000000000.0 | 7.210369975 | 13.72129346 | 8.520634176 | 281.2409646 | null | 14.89564761 | 0.345252298 | 14.89564761 | 0.245042272 | 1.448978389 | 0.245042272 | -5.782274324 | -0.345252298 | -1.0135 | 141.8215 | 542.637 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 5 | 12 | 0 | 7 | 0 | 2 | 2 | 212 | Compound.28 | -6.89 | 7.830980629 | 0.109115577 | 31.4489765 | 24.07156987 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 43.91587777 | 37.428076 | 40.28495571 | 30.8135806 | null | -6.89 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 81.06146585 | 35.44307838 | 0.0 | 31.4489765 | 5.893957685 | 70.11894583 | 19.49057905 | 35.77554503 | 0 | 0.0 | [['PAMPA']] | [7377] | [['-8.00']] | ['2022_Saunders'] | ['P', 'G', 'L', 'G', 'F', 'A'] | [0.2794999999999998, -0.5953000000000002, 0.8193999999999995, -0.5953000000000002, 1.0159999999999998, -0.2068000000000003] | [20.31, 29.1, 29.1, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 83.90513703 | 35.14014801 | 5.893957685 | 90.4729349 | 30.21209354 | 7.059210392 | 0.0 | 0 | 2016_Frost | 1129 | null | 165.81 | null | 317.4005497 | 0.0 | 85.60244122 | -9.573532928 | -2.163614853 | -26.50336601 | -30.89869171 | -20.58627217 | -30.5275132 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.326908428 | null |
07ec760f0fb417c44d610f5e4fbc40911e67eb1004abdc0a251dcfb979eb4e9f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,129 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'G', 'L', 'A', 'F', 'A'] | 30 | 1130 | -8.06 | -8.06 | Circle | 9 | -1.05e-16 | -2.680512192 | -1.5e-17 | -2.87644393 | 2.48e-17 | -1.133202482 | 4.82e-15 | -0.248213957 | 3.025131472 | 2737.011219 | 142.0 | null | null | 64.39230485 | 59.13277132 | 19.13277132 | 34.77905619 | 29.61770122 | 9.881633242 | 6.566983364 | 6.566983364 | 3.881473968 | 3.881473968 | 2.307189986 | 2.307189986 | null | null | null | null | 204.5440074 | 25.34344448 | 4.794537184 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 53.6650013 | 556.300933 | 1.0 | 1.7 | 2.4 | 0.571428571 | 140.0 | PEPTIDE1130{P.G.L.A.F.A}$PEPTIDE1130,PEPTIDE1130,1:R1-6:R2$$$ | PEPTIDE1130{<a href="/monomers/P/">P</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1130,PEPTIDE1130,1:R1-6:R2$$$ | -3.96 | 40 | 516.344 | 1130 | null | null | 1420000000000000.0 | 7.265716628 | 13.90312795 | 8.268021884 | 290.4158477 | null | 15.06592822 | 0.345245826 | 15.06592822 | 0.245042272 | 1.494123017 | 0.245042272 | -5.944774324 | -0.345245826 | -0.625 | 146.4165 | 556.664 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 5 | 12 | 0 | 8 | 0 | 2 | 2 | 218 | Compound.29 | -8.06 | 7.216938874 | -0.519003868 | 31.4489765 | 30.08946234 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 43.91587777 | 44.27996812 | 44.39723138 | 22.94596236 | null | -8.06 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O | 83.80298296 | 35.44307838 | 0.0 | 31.4489765 | 5.893957685 | 82.98873042 | 12.99371937 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['P', 'G', 'L', 'A', 'F', 'A'] | [0.2794999999999998, -0.5953000000000002, 0.8193999999999995, -0.2068000000000003, 1.0159999999999998, -0.2068000000000003] | [20.31, 29.1, 29.1, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 83.42616982 | 35.14014801 | 5.893957685 | 100.0663441 | 30.21209354 | 7.059210392 | 0.0 | 0 | 2016_Frost | 1130 | null | 165.81 | null | 335.6834483 | 0.0 | 86.81929634 | -10.03229616 | -2.243334241 | -27.25505767 | -37.33635463 | -20.91817527 | -30.71752664 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.331409597 | null |
2bc7ba52943f630df715248619a2ab8eb2b2e893fdc4bb4f664c7f9b0fa81c85 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,130 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['P', 'A', 'L', 'G', 'F', 'A'] | 30 | 1131 | -7.13 | -7.13 | Circle | 3 | -1.07e-16 | -2.68037631 | -4.09e-17 | -2.872621718 | 4.32e-17 | -1.133202658 | 3.53e-15 | -0.248213961 | 3.008373675 | 2737.011219 | 150.0 | null | null | 64.39230485 | 59.13277132 | 19.13277132 | 34.77905619 | 29.61770122 | 9.881633242 | 6.566983364 | 6.566983364 | 3.881473968 | 3.881473968 | 2.307189986 | 2.307189986 | null | null | null | null | 204.5440074 | 30.13798166 | 0.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 53.6650013 | 556.300933 | 1.0 | 1.725 | 2.425 | 0.571428571 | 168.0 | PEPTIDE1131{P.A.L.G.F.A}$PEPTIDE1131,PEPTIDE1131,1:R1-6:R2$$$ | PEPTIDE1131{<a href="/monomers/P/">P</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/A/">A</a>}$PEPTIDE1131,PEPTIDE1131,1:R1-6:R2$$$ | -3.96 | 40 | 516.344 | 1131 | null | null | 1420000000000000.0 | 7.265716628 | 13.90312795 | 8.268021884 | 290.4158477 | null | 14.97125191 | 0.345252297 | 14.97125191 | 0.245042273 | 1.468932028 | 0.245042273 | -5.944774324 | -0.345252297 | -0.625 | 146.4165 | 556.664 | Circle | 6 | 6 | null | 5 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 5 | 12 | 0 | 8 | 0 | 2 | 2 | 218 | Compound.30 | -7.13 | 7.243038488 | -0.477128265 | 31.4489765 | 30.08946234 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 43.91587777 | 44.27996812 | 44.39723138 | 22.94596236 | null | -7.13 | null | null | null | null | null | null | null | null | null | null | 3 | CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O | 83.80298296 | 35.44307838 | 0.0 | 31.4489765 | 5.893957685 | 82.98873042 | 12.99371937 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['P', 'A', 'L', 'G', 'F', 'A'] | [0.2794999999999998, -0.2068000000000003, 0.8193999999999995, -0.5953000000000002, 1.0159999999999998, -0.2068000000000003] | [20.31, 29.1, 29.1, 29.1, 29.1, 29.1] | 26.54906677 | 0.0 | 0.0 | 0.0 | 83.42616982 | 35.14014801 | 5.893957685 | 100.0663441 | 30.21209354 | 7.059210392 | 0.0 | 0 | 2016_Frost | 1131 | null | 165.81 | null | 335.5219576 | 0.0 | 86.7766697 | -9.989669518 | -2.192445912 | -27.25505767 | -37.10098366 | -20.97689953 | -30.78357103 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 1 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.331409597 | null |
bdac63a00587f498402145592fcc5cc8af428ace12f8843d054ad8f7a4ca8a5d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,133 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 48 | 1134 | -7.13 | -7.13 | Circle | 3 | -2.11e-16 | -2.708683348 | -2.71e-16 | -2.858800972 | -1.08e-16 | -1.13399394 | 2.66e-16 | -0.249290788 | 4.389546159 | 3030.153614 | 121.0 | null | null | 77.63531001 | 72.54101961 | 20.54101961 | 40.44471109 | 36.10512912 | 10.21070193 | 6.678731301 | 6.678731301 | 4.067163449 | 4.067163449 | 2.416245797 | 2.416245797 | null | null | null | null | 221.1819446 | 8.906812853 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 67.2493363 | 608.389748 | 1.11627907 | 1.953488372 | 2.651162791 | 0.8 | 119.0 | PEPTIDE1134{A.[MeOEt_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1134,PEPTIDE1134,1:R1-6:R2$$$ | PEPTIDE1134{<a href="/monomers/A/">A</a>.<a href="/monomers/MeOEt_Gly/">[MeOEt_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1134,PEPTIDE1134,1:R1-6:R2$$$ | -3.22 | 43 | 556.365 | 1134 | null | null | 1.89e+24 | 6.949789521 | 17.1688393 | 9.903920648 | 328.7072262 | null | 15.94349693 | 0.38285076 | 15.94349693 | 0.24533557 | 2.213340879 | 0.24533557 | -6.8217451 | -0.38285076 | 0.3673 | 160.5184 | 608.781 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 2 | 13 | 0 | 16 | 0 | 2 | 2 | 244 | 1.1-01 | -7.13 | 5.665494679 | -2.166938702 | 34.95612858 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 33.30152615 | 45.08944153 | 81.48090788 | 40.11408295 | null | -7.13 | null | null | null | null | null | null | null | null | 91.58 | null | 2 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 104.865698 | 35.44307838 | 0.0 | 30.21926563 | 5.893957685 | 96.56857987 | 53.05706302 | 0.0 | 0 | 0.0 | null | null | null | null | ['A', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 29.54, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 132.1713502 | 33.50408606 | 5.893957685 | 141.0349378 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1134 | null | 148.67 | 0.9 | 442.702374 | 0.0 | 83.69756082 | -4.92528685 | 0.0 | -31.23799322 | -25.78000667 | -35.03109181 | -67.32095145 | -4.604604778 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.384217931 | null |
9a8a690f02c83a03fe412b7516260bb1df9e6423cb4f48945f35b1141ea0a194 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,134 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 49 | 1135 | -5.32 | -5.32 | Circle | 5 | -2.19e-16 | -2.712751427 | -2.27e-16 | -2.856639015 | -8.68e-17 | -1.137428392 | 2.44e-16 | -0.249292215 | 4.455194748 | 3225.568886 | 107.0 | null | null | 81.92820323 | 77.13277132 | 21.13277132 | 42.48760431 | 38.44688083 | 10.55245364 | 6.849607156 | 6.849607156 | 4.151390566 | 4.151390566 | 2.462883027 | 2.462883027 | null | null | null | null | 233.5556737 | 8.906812853 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 72.73237052 | 620.4261335 | 1.0 | 1.795454545 | 2.5 | 0.8125 | 109.0 | PEPTIDE1135{A.[pentyl_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1135,PEPTIDE1135,1:R1-6:R2$$$ | PEPTIDE1135{<a href="/monomers/A/">A</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1135,PEPTIDE1135,1:R1-6:R2$$$ | -3.18 | 44 | 564.388 | 1135 | null | null | 2.99e+28 | 6.76425848 | 17.94965655 | 10.18944427 | 341.9434472 | null | 16.03655372 | 0.343043686 | 16.03655372 | 0.24533557 | 2.249129098 | 0.24533557 | -6.93465665 | -0.343043686 | 1.9111 | 168.1674 | 620.836 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 6 | 2 | 12 | 0 | 17 | 0 | 2 | 2 | 250 | 1.1-02 | -5.32 | 5.425821061 | -1.611010695 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 52.89926807 | 51.46236643 | 89.52129954 | 23.95978782 | null | -5.32 | null | null | null | null | null | null | null | null | 85.76 | null | 2 | CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](C)C1=O | 105.6118693 | 35.44307838 | 0.0 | 30.21926563 | 5.893957685 | 122.5392467 | 39.46012532 | 0.0 | 0 | 0.0 | [['PAMPA']] | [1570] | [['-5.40']] | ['2016_Furukawa'] | ['A', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 118.5744125 | 28.7672231 | 5.893957685 | 172.4886388 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1135 | null | 139.44 | 44.47 | 475.4747899 | 0.0 | 84.24502861 | -5.071121734 | 0.0 | -31.90662645 | -26.19209253 | -52.11639603 | -67.9335818 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.357979447 | null |
4467b77d2e92d03ca39c85ab38124801755bb32eca2a53586e8ac32e80200de8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,135 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 45 | 1136 | -5.45 | -5.45 | Circle | 4 | -1.68e-16 | -2.707625176 | -1.43e-16 | -2.852326423 | 6.93e-18 | -1.133977343 | 7.94e-16 | -0.249290788 | 3.424201429 | 3373.563941 | 114.0 | null | null | 79.39230485 | 74.13277132 | 22.13277132 | 42.16303079 | 37.19688083 | 11.30245364 | 7.474607156 | 7.474607156 | 4.582292265 | 4.582292265 | 2.765485576 | 2.765485576 | null | null | null | null | 243.3605519 | 13.06017204 | 23.97268592 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 63.09597711 | 640.3948334 | 1.065217391 | 1.869565217 | 2.565217391 | 0.647058824 | 115.0 | PEPTIDE1136{A.[Bn_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1136,PEPTIDE1136,1:R1-6:R2$$$ | PEPTIDE1136{<a href="/monomers/A/">A</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1136,PEPTIDE1136,1:R1-6:R2$$$ | -3.96 | 46 | 588.41 | 1136 | null | null | 3.96e+26 | 7.676674189 | 17.09432322 | 9.525757621 | 345.9208909 | null | 16.0546478 | 0.343043481 | 16.0546478 | 0.24533557 | 1.647846844 | 0.24533557 | -6.791464646 | -0.343043481 | 1.9211 | 173.9214 | 640.826 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 2 | 12 | 0 | 14 | 0 | 2 | 2 | 254 | 1.1-03 | -5.45 | 6.486142951 | -0.20471419 | 30.21926563 | 30.56842956 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 63.51361969 | 50.65289302 | 74.44295542 | 27.05823803 | null | -5.45 | null | null | null | null | null | null | null | null | 84.14 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 100.1288351 | 35.44307838 | 0.0 | 30.21926563 | 5.893957685 | 103.0654396 | 32.96326564 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['A', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 112.0775528 | 35.26408279 | 5.893957685 | 146.5983893 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1136 | null | 139.44 | 35.4 | 446.162102 | 0.0 | 85.13316537 | -4.822450257 | -2.469941575 | -30.89280988 | -35.44252735 | -34.97273262 | -61.19480573 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.445379418 | null |
7d04cb3de46330a61cee266cc71236a87a0a30f9ff9bd9e67f4266c2fe7ae1e8 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,136 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 50 | 1137 | -5.04 | -5.04 | Circle | 9 | -2.42e-16 | -2.818844864 | -2.64e-16 | -2.862690432 | -1.27e-16 | -1.169212213 | 6.04e-17 | -0.249290788 | 3.484834734 | 3420.751541 | 113.0 | null | null | 84.92820323 | 80.13277132 | 22.13277132 | 44.23760431 | 40.19688083 | 11.30245364 | 7.474607156 | 7.474607156 | 4.582292265 | 4.582292265 | 2.765485576 | 2.765485576 | null | null | null | null | 245.3435891 | 15.11942764 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 64.46673566 | 646.4417836 | 0.97826087 | 1.782608696 | 2.47826087 | 0.823529412 | 112.0 | PEPTIDE1137{A.[cHexCH2_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1137,PEPTIDE1137,1:R1-6:R2$$$ | PEPTIDE1137{<a href="/monomers/A/">A</a>.<a href="/monomers/cHexCH2_Gly/">[cHexCH2_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1137,PEPTIDE1137,1:R1-6:R2$$$ | -3.18 | 46 | 588.41 | 1137 | null | null | 1.07e+29 | 7.083689572 | 17.65770127 | 9.90918233 | 356.4774413 | null | 16.17057569 | 0.343043685 | 16.17057569 | 0.24533557 | 2.26867338 | 0.24533557 | -7.012663757 | -0.343043685 | 2.3012 | 175.2174 | 646.874 | Circle | 6 | 6 | null | 2 | 12 | null | null | 1 | 2 | 3 | 0 | 0 | 0 | 6 | 2 | 12 | 0 | 14 | 1 | 2 | 3 | 260 | 1.1-04 | -5.04 | 4.573333568 | -1.605730427 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 52.42030086 | 63.72924901 | 92.26281665 | 23.95978782 | null | -5.04 | null | null | null | null | null | null | null | null | 74.7 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 108.3533864 | 35.44307838 | 0.0 | 30.21926563 | 11.78791537 | 128.4332044 | 39.46012532 | 0.0 | 0 | 0.0 | [['PAMPA']] | [1571] | [['-5.05']] | ['2016_Furukawa'] | ['A', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 118.5744125 | 28.7672231 | 11.78791537 | 181.1241136 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1137 | null | 139.44 | 67.17 | 500.653346 | 0.0 | 85.13839081 | -5.150500063 | 0.0 | -38.49645565 | -26.47615871 | -62.64521238 | -64.02341004 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.415131346 | null |
ecff509b732c1b9f27d34c309ec761566f816bddd8696cd1d30894c4ebf3d11e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,137 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly'] | 45 | 1138 | -7.27 | -7.27 | Circle | 2 | -1.73e-16 | -2.768309761 | -3.17e-16 | -2.865249142 | -5.09e-17 | -1.133986355 | 4e-16 | -0.249290788 | 3.466426532 | 3337.203829 | 136.0 | null | null | 83.13531001 | 78.04101961 | 22.04101961 | 43.44471109 | 39.10512912 | 11.21070193 | 7.405793374 | 7.405793374 | 4.53641641 | 4.53641641 | 2.725344203 | 2.725344203 | null | null | null | null | 239.3427849 | 12.37791053 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 64.46673566 | 648.4210481 | 1.043478261 | 1.847826087 | 2.543478261 | 0.818181818 | 138.0 | PEPTIDE1138{A.[Mono38].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1138,PEPTIDE1138,1:R1-6:R2$$$ | PEPTIDE1138{<a href="/monomers/A/">A</a>.<a href="/monomers/Mono38/">[Mono38]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1138,PEPTIDE1138,1:R1-6:R2$$$ | -3.22 | 46 | 592.398 | 1138 | null | null | 2.72e+29 | 7.352396904 | 17.62869873 | 9.889380372 | 352.4161034 | null | 16.13128205 | 0.381428301 | 16.13128205 | 0.24533557 | 2.25523588 | 0.24533557 | -6.973180286 | -0.381428301 | 1.1475 | 172.1854 | 648.846 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 7 | 2 | 13 | 0 | 14 | 0 | 3 | 3 | 260 | 1.1-05 | -7.27 | 4.719524174 | -2.429623442 | 34.95612858 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 33.30152615 | 63.72924901 | 97.1562358 | 29.44282204 | null | -7.27 | null | null | null | null | null | null | null | null | 96.32 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 110.3487322 | 35.44307838 | 0.0 | 30.21926563 | 11.78791537 | 109.3144297 | 52.57809581 | 0.0 | 0 | 0.0 | [['PAMPA']] | [1572] | [['-6.76']] | ['2016_Furukawa'] | ['A', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 131.692383 | 33.50408606 | 11.78791537 | 159.2638218 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1138 | null | 148.67 | 0.67 | 485.9354159 | 0.0 | 84.9710119 | -5.098399882 | 0.0 | -38.10378267 | -26.33243346 | -46.46780599 | -73.6540058 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.401258966 | null |
9bc73e521dd6eb1edfdc593cac2b811c7cb330a929f54335dfc35fb3b0560263 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,138 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 48 | 1139 | -5.55 | -5.55 | Circle | 6 | -2.27e-16 | -2.71283446 | -2.35e-16 | -2.863913305 | -1.51e-16 | -1.134995374 | 1.65e-16 | -0.249291269 | 4.587639044 | 3339.891602 | 123.0 | null | null | 85.13531001 | 80.04101961 | 22.04101961 | 44.19471109 | 39.85512912 | 10.96070193 | 7.178731301 | 7.178731301 | 4.310565148 | 4.310565148 | 2.616064714 | 2.616064714 | null | null | null | null | 240.3007193 | 5.483034225 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 74.10312908 | 650.4366982 | 1.0 | 1.782608696 | 2.47826087 | 0.818181818 | 133.0 | PEPTIDE1139{L.[MeOEt_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1139,PEPTIDE1139,1:R1-6:R2$$$ | PEPTIDE1139{<a href="/monomers/L/">L</a>.<a href="/monomers/MeOEt_Gly/">[MeOEt_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1139,PEPTIDE1139,1:R1-6:R2$$$ | -3.22 | 46 | 592.398 | 1139 | null | null | 5.57e+29 | 7.208630391 | 18.8079511 | 10.94663314 | 356.2318755 | null | 16.11519889 | 0.38285076 | 16.11519889 | 0.24533557 | 2.313237573 | 0.24533557 | -6.998899217 | -0.38285076 | 1.3935 | 174.2994 | 650.862 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 7 | 2 | 13 | 0 | 19 | 0 | 2 | 2 | 262 | 1.1-06 | -5.55 | 4.549020404 | -2.114185142 | 34.95612858 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 47.00531039 | 50.50443199 | 89.70545922 | 40.11408295 | null | -5.55 | null | null | null | null | null | null | null | null | 86.7 | null | 2 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 113.0902494 | 35.44307838 | 0.0 | 30.21926563 | 11.78791537 | 109.7933969 | 53.05706302 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [0.8193999999999995, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 29.54, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 132.1713502 | 33.50408606 | 11.78791537 | 162.4843062 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1139 | null | 148.67 | 29.37 | 498.5507529 | 0.0 | 85.35529721 | -5.336845657 | 0.0 | -38.64157504 | -26.96296684 | -42.13093464 | -74.80196904 | -4.781758895 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.343481327 | null |
5bba8662f64e4b667a61a0e0c9113bf11b3f4d57c2290e2add8163cc7a791c28 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,139 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 57 | 1140 | -7.4 | -7.4 | Circle | 2 | -2.3e-16 | -2.70881753 | -2.22e-16 | -2.856889629 | 1.65e-17 | -1.133980563 | 1.37e-15 | -0.249290788 | 3.420589488 | 3460.807561 | 142.0 | null | null | 81.02206136 | 75.57998491 | 22.57998491 | 42.98551043 | 37.89409442 | 11.49966723 | 7.560017353 | 7.560017353 | 4.618399063 | 4.618399063 | 2.748989825 | 2.748989825 | null | null | null | null | 243.9520111 | 8.265634859 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 64.46673566 | 655.4057324 | 1.14893617 | 2.0 | 2.744680851 | 0.676470588 | 145.0 | PEPTIDE1140{A.[3-pyridylethyl_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1140,PEPTIDE1140,1:R1-6:R2$$$ | PEPTIDE1140{<a href="/monomers/A/">A</a>.<a href="/monomers/3-pyridylethyl_Gly/">[3-pyridylethyl_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1140,PEPTIDE1140,1:R1-6:R2$$$ | -4.03 | 47 | 602.417 | 1140 | null | null | 1.4200000000000001e+28 | 7.886005507 | 17.76656669 | 10.22725271 | 352.9104515 | null | 16.0829407 | 0.343043685 | 16.0829407 | 0.24533557 | 1.55553126 | 0.24533557 | -6.848030928 | -0.343043685 | 1.3586 | 176.5834 | 655.841 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 0 | 1 | 1 | 7 | 2 | 13 | 0 | 15 | 0 | 2 | 2 | 260 | 1.1-07 | -7.4 | 6.322411724 | 0.316595671 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 0.0 | 0.0 | 0.0 | 39.34394486 | 63.06823663 | 92.27178007 | 29.44282204 | null | -7.4 | null | null | null | null | null | null | null | null | 96.99 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 101.4995936 | 35.44307838 | 0.0 | 35.20324415 | 5.893957685 | 102.9415048 | 39.46012532 | 29.99407933 | 0 | 0.0 | null | null | null | null | ['A', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 33.2, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 123.558391 | 35.14014801 | 5.893957685 | 147.9691479 | 24.43062784 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1140 | null | 152.33 | 0.5 | 455.2785713 | 0.0 | 88.01613598 | -4.909064321 | -2.296079951 | -31.28097758 | -29.668743 | -44.01830005 | -62.03820908 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.407671902 | null |
34d85d4e7f41109edc21b1434bce558e3030da768ba3b7152988641343bf2a28 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,140 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 49 | 1141 | -4.94 | -4.94 | Circle | 3 | -2.75e-16 | -2.719689333 | -2.53e-16 | -2.861435829 | -1.46e-16 | -1.137475796 | 7.15e-17 | -0.249292234 | 4.674156083 | 3537.747111 | 105.0 | null | null | 89.42820323 | 84.63277132 | 22.63277132 | 46.23760431 | 42.19688083 | 11.30245364 | 7.349607156 | 7.349607156 | 4.394792265 | 4.394792265 | 2.662701944 | 2.662701944 | null | null | null | null | 252.6744484 | 12.37791053 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 72.691287 | 662.4730837 | 0.893617021 | 1.638297872 | 2.340425532 | 0.828571429 | 100.0 | PEPTIDE1141{L.[pentyl_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1141,PEPTIDE1141,1:R1-6:R2$$$ | PEPTIDE1141{<a href="/monomers/L/">L</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1141,PEPTIDE1141,1:R1-6:R2$$$ | -3.18 | 47 | 600.421 | 1141 | null | null | 4.53e+32 | 7.041424903 | 19.59551665 | 11.78176106 | 369.4680965 | null | 16.36075478 | 0.342747898 | 16.36075478 | 0.24533557 | 2.349025792 | 0.24533557 | -7.111810767 | -0.342747898 | 2.9373 | 181.9484 | 662.917 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 0 | 0 | 0 | 6 | 2 | 12 | 0 | 20 | 0 | 2 | 2 | 268 | 1.1-08 | -4.94 | 4.256391839 | -1.495190937 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.60305231 | 56.8773569 | 97.74585087 | 23.95978782 | null | -4.94 | null | null | null | null | null | null | null | null | 28.68 | null | 2 | CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](CC(C)C)C1=O | 113.8364206 | 35.44307838 | 0.0 | 30.21926563 | 11.78791537 | 135.7640637 | 39.46012532 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [0.8193999999999995, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 118.5744125 | 28.7672231 | 11.78791537 | 193.9380072 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1141 | null | 139.44 | 75.83 | 531.9872357 | 0.0 | 85.902765 | -5.482680541 | 0.0 | -39.42311981 | -27.3750527 | -60.00340928 | -75.35573834 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.308374513 | null |
483bfb8db149f81740959142f79c891e677b3042e6ca71ff181300acac57267a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,141 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 47 | 1142 | -5.16 | -5.16 | Circle | 8 | -2.5e-16 | -2.710073785 | -1.88e-16 | -2.856752962 | -7.19e-17 | -1.13398257 | 5.2e-16 | -0.249290788 | 3.432002177 | 3594.502109 | 126.0 | null | null | 84.39230485 | 79.13277132 | 23.13277132 | 44.66303079 | 39.69688083 | 11.80245364 | 7.724607156 | 7.724607156 | 4.713890566 | 4.713890566 | 2.806633027 | 2.806633027 | null | null | null | null | 256.1064017 | 13.74866908 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 63.09597711 | 668.4261335 | 1.041666667 | 1.854166667 | 2.5625 | 0.666666667 | 126.0 | PEPTIDE1142{A.[PhPr_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1142,PEPTIDE1142,1:R1-6:R2$$$ | PEPTIDE1142{<a href="/monomers/A/">A</a>.<a href="/monomers/PhPr_Gly/">[PhPr_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1142,PEPTIDE1142,1:R1-6:R2$$$ | -3.96 | 48 | 612.432 | 1142 | null | null | 2.95e+30 | 7.835215318 | 18.54791218 | 10.52025116 | 364.2706572 | null | 16.14726592 | 0.343043686 | 16.14726592 | 0.24533557 | 1.548997574 | 0.24533557 | -6.926195534 | -0.343043686 | 2.3537 | 183.4054 | 668.88 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 2 | 12 | 0 | 16 | 0 | 2 | 2 | 266 | 1.1-09 | -5.16 | 5.920879145 | -0.086848259 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 63.51361969 | 63.39874282 | 82.66750676 | 30.8135806 | null | -5.16 | null | null | null | null | null | null | null | null | 77.1 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2ccccc2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 105.6118693 | 35.44307838 | 0.0 | 30.21926563 | 5.893957685 | 109.3144297 | 39.46012532 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['A', 'PhPr_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 1.7498999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 118.5744125 | 35.14014801 | 5.893957685 | 158.4543484 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1142 | null | 139.44 | 57.43 | 482.4283443 | 0.0 | 85.2075145 | -5.018489715 | -2.266013268 | -31.76689015 | -35.26890047 | -46.33522863 | -62.98033659 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.392717355 | null |
3aed74b6a2c104c805979668f246b95d3a6536cb1a7392f1b458c82e4f92606e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,142 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'Mono39', 'meL', 'Nle', 'dP', 'Et_Gly'] | 45 | 1143 | -5.46 | -5.46 | Circle | 1 | -1.44e-16 | -2.708420654 | -1.3e-16 | -2.859024249 | -2.16e-17 | -1.13398192 | 1.43e-15 | -0.249290788 | 3.387266886 | 3506.307955 | 131.0 | null | null | 82.59941163 | 77.04101961 | 23.04101961 | 43.88615733 | 38.60512912 | 11.71070193 | 7.632855447 | 7.632855447 | 4.646287594 | 4.646287594 | 2.756838906 | 2.756838906 | null | null | null | null | 250.1055975 | 8.265634859 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 65.83749422 | 670.4053981 | 1.083333333 | 1.895833333 | 2.604166667 | 0.657142857 | 115.0 | PEPTIDE1143{A.[Mono39].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1143,PEPTIDE1143,1:R1-6:R2$$$ | PEPTIDE1143{<a href="/monomers/A/">A</a>.<a href="/monomers/Mono39/">[Mono39]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1143,PEPTIDE1143,1:R1-6:R2$$$ | -4.16 | 48 | 616.42 | 1143 | null | null | 8.71e+29 | 8.071612888 | 18.40123862 | 10.41914066 | 360.2093193 | null | 16.09170807 | 0.491752534 | 16.09170807 | 0.24533557 | 1.453812389 | 0.24533557 | -6.868759191 | -0.491752534 | 1.7999 | 180.5794 | 670.852 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 2 | 13 | 0 | 16 | 0 | 2 | 2 | 266 | 1.1-10 | -5.46 | 5.532916393 | -0.565739712 | 34.95612858 | 36.38006695 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 51.42878228 | 57.17427894 | 67.94609573 | 42.79347451 | null | -5.46 | null | null | null | null | null | null | null | null | 73.21 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOc2ccccc2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 107.6072151 | 35.44307838 | 0.0 | 30.21926563 | 5.893957685 | 96.56857987 | 46.01911056 | 30.21209354 | 0 | 5.749511833 | null | null | null | null | ['A', 'Mono39', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 1.1960999999999995, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31] | 15.35648966 | 0.0 | 5.749511833 | 0.0 | 125.1333977 | 28.7672231 | 5.893957685 | 143.7764549 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1143 | null | 148.67 | 34.97 | 467.1294969 | 0.0 | 84.95020449 | -4.943571305 | 0.0 | -33.50887844 | -34.37805906 | -35.20760964 | -67.79158296 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.385858746 | null |
c34b938496c8fafdb16ea3e074810acf2243edf3f35c275cb20013e63c062bf2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,143 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'Mono40', 'meL', 'Nle', 'dP', 'Et_Gly'] | 45 | 1144 | -7.33 | -7.33 | Circle | 4 | -1.74e-16 | -2.709944264 | -1.7e-16 | -2.856744668 | 7.55e-18 | -1.133990737 | 7.3e-16 | -0.249290788 | 3.416993076 | 3575.729816 | 144.0 | null | null | 84.44471109 | 79.02719851 | 23.02719851 | 44.5361517 | 39.56770122 | 11.67327403 | 7.735017353 | 7.735017353 | 4.693399063 | 4.693399063 | 2.805936426 | 2.805936426 | null | null | null | null | 249.8977284 | 11.00715197 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.098681808 | 65.83749422 | 672.4322815 | 1.104166667 | 1.958333333 | 2.666666667 | 0.735294118 | 139.0 | PEPTIDE1144{A.[Mono40].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1144,PEPTIDE1144,1:R1-6:R2$$$ | PEPTIDE1144{<a href="/monomers/A/">A</a>.<a href="/monomers/Mono40/">[Mono40]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1144,PEPTIDE1144,1:R1-6:R2$$$ | -3.97 | 48 | 616.424 | 1144 | null | null | 6e+29 | 7.831331433 | 17.97474004 | 10.26342583 | 363.2428327 | null | 16.13689945 | 0.343043686 | 16.13689945 | 0.24533557 | 0.661073169 | 0.24533557 | -6.929371485 | -0.343043686 | 1.0872 | 180.1714 | 672.872 | Circle | 6 | 6 | null | 2 | 14 | null | null | 0 | 2 | 2 | 0 | 1 | 1 | 8 | 2 | 14 | 0 | 17 | 0 | 2 | 2 | 268 | 1.1-11 | -7.33 | 6.223523103 | 0.677483301 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 33.44902604 | 0.0 | 5.098681808 | 0.0 | 33.30152615 | 63.39874282 | 99.92850454 | 32.87420014 | null | -7.33 | null | null | null | null | null | null | null | null | 90.45 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCc2cnn(C)c2)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 105.6118693 | 35.44307838 | 0.0 | 39.99975037 | 12.86978459 | 109.3144297 | 39.46012532 | 17.90924191 | 0 | 0.0 | null | null | null | null | ['A', 'Mono40', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 0.4833999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 38.13, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 128.3548972 | 42.11597491 | 5.893957685 | 158.4543484 | 12.34579042 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1144 | null | 157.26 | 0.57 | 479.9227316 | 0.0 | 85.10904962 | -2.0889627 | -2.275156787 | -31.79336951 | -26.17152441 | -50.51910977 | -66.93365806 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 6 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.376870148 | null |
3bac6508cd7a109b2afb6024861b6a46adf14d701a3cfae8e2bcfd2512fd3990 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,144 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'Mono41', 'meL', 'Nle', 'dP', 'Et_Gly'] | 45 | 1145 | -8.28 | -8.28 | Circle | 9 | -2.22e-16 | -2.71104486 | -1.93e-16 | -2.858532261 | -6.71e-17 | -1.133986454 | 9.09e-16 | -0.249290788 | 3.416152351 | 3511.387229 | 139.0 | null | null | 85.58290377 | 79.9882332 | 22.9882332 | 44.76431331 | 40.07182536 | 11.67739817 | 7.713776715 | 7.713776715 | 4.73432399 | 4.73432399 | 2.807300589 | 2.807300589 | null | null | null | null | 250.5045904 | 13.06017204 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 69.94976989 | 675.4319472 | 0.9375 | 1.75 | 2.4375 | 0.794117647 | 126.0 | PEPTIDE1145{A.[Mono41].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1145,PEPTIDE1145,1:R1-6:R2$$$ | PEPTIDE1145{<a href="/monomers/A/">A</a>.<a href="/monomers/Mono41/">[Mono41]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1145,PEPTIDE1145,1:R1-6:R2$$$ | -3.71 | 48 | 618.416 | 1145 | null | null | 2.11e+30 | 7.77972592 | 18.16224873 | 10.14788047 | 364.9938265 | null | 16.13664397 | 0.343043686 | 16.13664397 | 0.24533557 | 1.639862283 | 0.24533557 | -6.993778168 | -0.343043686 | 0.7334 | 179.0734 | 675.872 | Circle | 6 | 6 | null | 2 | 14 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 7 | 2 | 14 | 0 | 16 | 0 | 3 | 3 | 270 | 1.1-12 | -8.28 | 4.84721156 | -1.812440542 | 35.11917536 | 24.07156987 | 2.823684157 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 33.30152615 | 57.83529133 | 110.2587024 | 23.95978782 | null | -8.28 | null | null | null | null | null | null | null | null | 98.34 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCCN2CCCC2=O)C(=O)[C@H](C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 111.777165 | 41.35025811 | 0.0 | 35.11917536 | 5.893957685 | 115.6873546 | 52.45384469 | 0.0 | 0 | 0.0 | null | null | null | null | ['A', 'Mono41', 'meL', 'Nle', 'dP', 'Et_Gly'] | [-0.2068000000000003, 0.1295999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 40.620000000000005, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 142.3752213 | 33.56176029 | 5.893957685 | 167.0075053 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1145 | null | 159.75 | 0.07 | 488.6564313 | 0.0 | 96.88940704 | -5.135224673 | 0.0 | -35.28346906 | -26.40648136 | -50.92172709 | -74.38226949 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 2 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.345526166 | null |
8bd1974a92a79230cd1d1baeb8d84150dbf8cef5d9fcd867eb12d64e64037b30 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,145 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 45 | 1146 | -4.99 | -4.99 | Circle | 1 | -2.57e-16 | -2.710816654 | -1.74e-16 | -2.856314477 | -8.7e-17 | -1.13499538 | 4.93e-16 | -0.249291269 | 3.579113968 | 3688.11172 | 91.0 | null | null | 86.89230485 | 81.63277132 | 23.63277132 | 45.91303079 | 40.94688083 | 12.05245364 | 7.974607156 | 7.974607156 | 4.825693964 | 4.825693964 | 2.965304493 | 2.965304493 | null | null | null | null | 262.4793266 | 17.86094475 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 61.72521855 | 682.4417836 | 0.959183673 | 1.714285714 | 2.408163265 | 0.675675676 | 89.0 | PEPTIDE1146{L.[Bn_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1146,PEPTIDE1146,1:R1-6:R2$$$ | PEPTIDE1146{<a href="/monomers/L/">L</a>.<a href="/monomers/Bn_Gly/">[Bn_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1146,PEPTIDE1146,1:R1-6:R2$$$ | -3.96 | 49 | 624.443 | 1146 | null | null | 8.569999999999999e+31 | 7.917418039 | 18.70586115 | 11.02048322 | 373.4455403 | null | 16.41399808 | 0.342747693 | 16.41399808 | 0.24542719 | 1.76989689 | 0.24542719 | -6.968618763 | -0.342747693 | 2.9473 | 187.7024 | 682.907 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 2 | 12 | 0 | 17 | 0 | 2 | 2 | 272 | 1.1-13 | -4.99 | 5.303920079 | -0.090543746 | 30.21926563 | 30.56842956 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 77.21740393 | 56.06788349 | 82.66750676 | 27.05823803 | null | -4.99 | null | null | null | null | null | null | null | null | 24.72 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(Cc2ccccc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 108.3533864 | 35.44307838 | 0.0 | 30.21926563 | 11.78791537 | 116.2902566 | 32.96326564 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['L', 'Bn_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [0.8193999999999995, 1.3173, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 112.0775528 | 35.26408279 | 11.78791537 | 168.0477577 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1146 | null | 139.44 | 71.33 | 502.4637376 | 0.0 | 86.79090175 | -5.234009063 | -2.679387043 | -38.26611125 | -37.38006438 | -42.0287328 | -68.41633486 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.389356462 | null |
d68455e67130b1279bf1ec3b4569eadff8547eb24fdbeaaf163ef2c5efe7540c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,146 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['F', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 48 | 1147 | -5.4 | -5.4 | Circle | 2 | -2.13e-16 | -2.708830135 | -1.57e-16 | -2.862584949 | -2.28e-17 | -1.133994347 | 5.95e-16 | -0.249290788 | 3.517266292 | 3617.114906 | 127.0 | null | null | 85.09941163 | 79.54101961 | 23.54101961 | 45.12013757 | 39.85512912 | 11.96070193 | 7.803731301 | 7.803731301 | 4.810565148 | 4.810565148 | 2.928564714 | 2.928564714 | null | null | null | null | 256.4785224 | 15.11942764 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 61.72521855 | 684.4210481 | 1.06122449 | 1.87755102 | 2.591836735 | 0.666666667 | 129.0 | PEPTIDE1147{F.[MeOEt_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1147,PEPTIDE1147,1:R1-6:R2$$$ | PEPTIDE1147{<a href="/monomers/F/">F</a>.<a href="/monomers/MeOEt_Gly/">[MeOEt_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1147,PEPTIDE1147,1:R1-6:R2$$$ | -4.0 | 49 | 628.431 | 1147 | null | null | 8.88e+29 | 8.21189556 | 19.25585799 | 11.0 | 369.3842024 | null | 16.21353039 | 0.38285076 | 16.21353039 | 0.245541619 | 1.71290362 | 0.245541619 | -6.934962895 | -0.38285076 | 1.5901 | 184.9904 | 684.879 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 2 | 13 | 0 | 17 | 0 | 2 | 2 | 272 | 1.1-14 | -5.4 | 5.379871296 | -0.372730927 | 34.95612858 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 63.51361969 | 43.8010009 | 86.48307422 | 46.96787573 | null | -5.4 | null | null | null | null | null | null | null | null | 77.03 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCOC)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 110.3487322 | 35.44307838 | 0.0 | 30.21926563 | 5.893957685 | 96.08961265 | 53.05706302 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['F', 'MeOEt_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [1.0159999999999998, -0.2364999999999999, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 29.54, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 132.1713502 | 39.87701096 | 5.893957685 | 145.2295314 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1147 | null | 148.67 | 38.53 | 486.541792 | 0.0 | 86.23500673 | -5.042581501 | -2.590568264 | -31.9670947 | -36.58376209 | -41.2157571 | -63.15921255 | -4.717822572 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.359859833 | null |
b2a544ed120594762b2024e99b78f4c5a09077dbe94e8f06213b99f2d762a2b1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,147 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 50 | 1148 | -5.17 | -5.17 | Circle | 9 | -3.15e-16 | -2.819792366 | -3.27e-16 | -2.868021805 | -2.19e-16 | -1.169211555 | -1.43e-16 | -0.249291269 | 3.655876976 | 3735.649959 | 102.0 | null | null | 92.42820323 | 87.63277132 | 23.63277132 | 47.98760431 | 43.94688083 | 12.05245364 | 7.974607156 | 7.974607156 | 4.825693964 | 4.825693964 | 2.965304493 | 2.965304493 | null | null | null | null | 264.4623638 | 19.23170331 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 68.57901133 | 688.4887338 | 0.87755102 | 1.632653061 | 2.326530612 | 0.837837838 | 103.0 | PEPTIDE1148{L.[cHexCH2_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1148,PEPTIDE1148,1:R1-6:R2$$$ | PEPTIDE1148{<a href="/monomers/L/">L</a>.<a href="/monomers/cHexCH2_Gly/">[cHexCH2_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1148,PEPTIDE1148,1:R1-6:R2$$$ | -3.18 | 49 | 624.443 | 1148 | null | null | 5.1699999999999996e+33 | 7.361389772 | 19.2754114 | 11.42269661 | 384.0020906 | null | 16.70170968 | 0.342747897 | 16.70170968 | 0.24533557 | 2.368570074 | 0.24533557 | -7.189817874 | -0.342747897 | 3.3274 | 188.9984 | 688.955 | Circle | 6 | 6 | null | 2 | 12 | null | null | 1 | 2 | 3 | 0 | 0 | 0 | 6 | 2 | 12 | 0 | 17 | 1 | 2 | 3 | 278 | 1.1-15 | -5.17 | 3.315072231 | -1.484454157 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.12408509 | 69.14423948 | 100.487368 | 23.95978782 | null | -5.17 | null | null | null | null | null | null | null | null | 12.04 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCCCC2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 116.5779377 | 35.44307838 | 0.0 | 30.21926563 | 17.68187306 | 141.6580214 | 39.46012532 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'cHexCH2_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [0.8193999999999995, 1.6973999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 118.5744125 | 28.7672231 | 17.68187306 | 202.573482 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1148 | null | 139.44 | 56.8 | 557.7629466 | 0.0 | 86.79612719 | -5.56205887 | 0.0 | -46.35079704 | -27.65911888 | -70.90773259 | -71.32936638 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.361274685 | null |
23c79f79577fee59aceeb7bfc8bc5864061cd3e5ff052efe8bf5699822c2be0a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,148 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly'] | 45 | 1149 | -5.75 | -5.75 | Circle | 6 | -2.33e-16 | -2.77145303 | -2.96e-16 | -2.87060752 | -1.71e-16 | -1.135006389 | 2.52e-16 | -0.249291269 | 3.632643163 | 3651.13597 | 124.0 | null | null | 90.63531001 | 85.54101961 | 23.54101961 | 47.19471109 | 42.85512912 | 11.96070193 | 7.905793374 | 7.905793374 | 4.77981811 | 4.77981811 | 2.92516312 | 2.92516312 | null | null | null | null | 258.4615596 | 19.23170331 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 65.83749422 | 690.4679983 | 0.93877551 | 1.693877551 | 2.387755102 | 0.833333333 | 125.0 | PEPTIDE1149{L.[Mono38].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1149,PEPTIDE1149,1:R1-6:R2$$$ | PEPTIDE1149{<a href="/monomers/L/">L</a>.<a href="/monomers/Mono38/">[Mono38]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1149,PEPTIDE1149,1:R1-6:R2$$$ | -3.22 | 49 | 628.431 | 1149 | null | null | 8.379999999999999e+33 | 7.617237801 | 19.24610161 | 11.40194194 | 379.9407527 | null | 16.61717071 | 0.381428301 | 16.61717071 | 0.24533557 | 2.355132574 | 0.24533557 | -7.150334403 | -0.381428301 | 2.1737 | 185.9664 | 690.927 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 3 | 3 | 0 | 0 | 0 | 7 | 2 | 13 | 0 | 17 | 0 | 3 | 3 | 278 | 1.1-16 | -5.75 | 3.473334697 | -2.292376098 | 34.95612858 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 47.00531039 | 69.14423948 | 105.3807871 | 29.44282204 | null | -5.75 | null | null | null | null | null | null | null | null | 88.67 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CC2CCOCC2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 118.5732836 | 35.44307838 | 0.0 | 30.21926563 | 17.68187306 | 122.5392467 | 52.57809581 | 0.0 | 0 | 0.0 | null | null | null | null | ['L', 'Mono38', 'meL', 'Nle', 'dP', 'Et_Gly'] | [0.8193999999999995, 0.5436999999999996, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 29.540000000000003, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 131.692383 | 33.50408606 | 17.68187306 | 180.7131902 | 0.0 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1149 | null | 148.67 | 19.73 | 542.7888146 | 0.0 | 86.62874828 | -5.509958689 | 0.0 | -45.91864059 | -27.51539363 | -54.17905401 | -81.29451602 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.357169737 | null |
3906830c5bb1deb1d55c9da986c20a2b5b039caa026bb6b437eaec88f1eec8ef | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,149 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['F', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 49 | 1150 | -5.1 | -5.1 | Circle | 8 | -2.53e-16 | -2.713038844 | -1.91e-16 | -2.860155092 | -1.13e-16 | -1.137418874 | 4.65e-16 | -0.249292215 | 3.582344821 | 3817.160683 | 116.0 | null | null | 89.39230485 | 84.13277132 | 24.13277132 | 47.16303079 | 42.19688083 | 12.30245364 | 7.974607156 | 7.974607156 | 4.894792265 | 4.894792265 | 2.975201944 | 2.975201944 | null | null | null | null | 268.8522515 | 19.27278683 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 0.0 | 63.05489358 | 696.4574336 | 0.96 | 1.74 | 2.46 | 0.684210526 | 116.0 | PEPTIDE1150{F.[pentyl_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1150,PEPTIDE1150,1:R1-6:R2$$$ | PEPTIDE1150{<a href="/monomers/F/">F</a>.<a href="/monomers/pentyl_Gly/">[pentyl_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1150,PEPTIDE1150,1:R1-6:R2$$$ | -3.96 | 50 | 636.454 | 1150 | null | null | 7.13e+33 | 8.001343729 | 20.02990425 | 11.28094112 | 382.6204234 | null | 16.49033087 | 0.342506689 | 16.49033087 | 0.245461161 | 1.769435934 | 0.245461161 | -7.047874444 | -0.342506689 | 3.1339 | 192.6394 | 696.934 | Circle | 6 | 6 | null | 2 | 12 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 6 | 2 | 12 | 0 | 18 | 0 | 2 | 2 | 278 | 1.1-17 | -5.1 | 5.079571656 | 0.207263588 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 83.11136161 | 50.1739258 | 94.52346588 | 30.8135806 | null | -5.1 | null | null | null | null | null | null | null | null | 17.3 | null | 3 | CCCCCN1CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N2CCC[C@@H]2C(=O)N(CC)CC(=O)N[C@@H](Cc2ccccc2)C1=O | 111.0949035 | 35.44307838 | 0.0 | 30.21926563 | 5.893957685 | 122.0602795 | 39.46012532 | 35.77554503 | 0 | 0.0 | [['PAMPA']] | [1574] | [['-5.04']] | ['2016_Furukawa'] | ['F', 'pentyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [1.0159999999999998, 1.3073, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 20.31, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 118.5744125 | 35.14014801 | 5.893957685 | 176.6832324 | 30.21209354 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1150 | null | 139.44 | 62.47 | 519.9795768 | 0.0 | 86.78247452 | -5.188416385 | -2.682861169 | -32.63572792 | -37.33851616 | -58.84279137 | -63.5737383 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.322328146 | null |
77426a41fa392fbf4db12bdb99bc01fa848651552f879b4acfd892280416de72 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1,150 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | 57 | 1151 | -6.14 | -6.14 | Circle | 2 | -2.07e-16 | -2.713096076 | -2.03e-16 | -2.861739709 | -4.71e-17 | -1.134995472 | 4.56e-16 | -0.249291269 | 3.582405586 | 3776.127344 | 135.0 | null | null | 88.52206136 | 83.07998491 | 24.07998491 | 46.73551043 | 41.64409442 | 12.24966723 | 8.060017353 | 8.060017353 | 4.861800762 | 4.861800762 | 2.948808742 | 2.948808742 | null | null | null | null | 263.0707858 | 17.86094475 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.983978521 | 63.09597711 | 697.4526826 | 1.04 | 1.84 | 2.58 | 0.702702703 | 133.0 | PEPTIDE1151{L.[3-pyridylethyl_Gly].[meL].[Nle].[dP].[Et_Gly]}$PEPTIDE1151,PEPTIDE1151,1:R1-6:R2$$$ | PEPTIDE1151{<a href="/monomers/L/">L</a>.<a href="/monomers/3-pyridylethyl_Gly/">[3-pyridylethyl_Gly]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Nle/">[Nle]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Et_Gly/">[Et_Gly]</a>}$PEPTIDE1151,PEPTIDE1151,1:R1-6:R2$$$ | -4.03 | 50 | 638.45 | 1151 | null | null | 1.3799999999999998e+33 | 8.124493345 | 19.38542028 | 11.24490877 | 380.4351009 | null | 16.46033868 | 0.342747897 | 16.46033868 | 0.24533557 | 1.660243831 | 0.24533557 | -7.025185045 | -0.342747897 | 2.3848 | 190.3644 | 697.922 | Circle | 6 | 6 | null | 2 | 13 | null | null | 0 | 2 | 2 | 0 | 1 | 1 | 7 | 2 | 13 | 0 | 18 | 0 | 2 | 2 | 278 | 1.1-18 | -6.14 | 5.082186728 | 0.463117875 | 30.21926563 | 24.07156987 | 2.823684157 | 35.44307838 | 0.0 | 0.0 | 33.75120163 | 0.0 | 0.0 | 0.0 | 53.0477291 | 68.4832271 | 100.4963314 | 29.44282204 | null | -6.14 | null | null | null | null | null | null | null | null | 86.62 | null | 3 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(CCc2cccnc2)C(=O)[C@H](CC(C)C)NC(=O)CN(CC)C(=O)[C@H]2CCCN2C1=O | 109.724145 | 35.44307838 | 0.0 | 35.20324415 | 11.78791537 | 116.1663218 | 39.46012532 | 29.99407933 | 0 | 0.0 | null | null | null | null | ['L', '3-pyridylethyl_Gly', 'meL', 'Nle', 'dP', 'Et_Gly'] | [0.8193999999999995, 0.7547999999999998, 1.1616, 0.9635, 0.2794999999999998, 0.1369999999999998] | [29.1, 33.2, 20.31, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 0.0 | 0.0 | 123.558391 | 35.14014801 | 11.78791537 | 169.4185162 | 24.43062784 | 2.823684157 | 0.0 | 0 | 2016_Furukawa | 1151 | null | 152.33 | 8.6 | 511.7440151 | 0.0 | 89.64043572 | -5.320623128 | -2.468350398 | -38.71084522 | -31.11774617 | -51.65540627 | -69.27814626 | 0.0 | 1.0 | 2016 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.360417366 | null |
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