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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
e35fe58093c95be4a2d07472356b67cec6bc2062ba3b073e62cb726c3e190907 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 334 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 335 | null | null | null | 7 | -1.09e-16 | -2.550572547 | -3.16e-17 | -2.749120393 | 5.55e-16 | -0.976105025 | 10.16894776 | -0.244062398 | 3.8917726 | 689.8230398 | null | [*]N[C@@H](Cc1cccc(Cl)c1)C([*])=O |$_R1;;;;;;;;;;;;_R2;$| | null | 20.11880215 | 18.23342636 | 6.989355305 | 11.02350269 | 9.037533573 | 3.46828445 | 1.876454506 | 2.254418979 | 1.046370799 | 1.235353036 | 0.578058179 | 0.719794857 | 3-chloro-L-phenylalanine | null | null | null | 65.69442942 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 28.09112609 | 197.0607417 | 2.153846154 | 3.0 | 3.692307692 | 0.3 | null | null | null | -0.86 | 13 | 185.569 | 335 | H-Phe(3-Cl)-OH | (2S)-2-amino-3-(3-chlorophenyl)propanoic acid | 94063.0856 | 2.585321375 | 4.997000012 | 3.167786817 | 99.82352472 | null | 11.62134905 | 0.310518297 | 11.62134905 | 0.136726302 | 0.70799178 | 0.136726302 | -3.691306847 | -0.310518297 | 1.6694 | 54.0677 | 197.665 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 3 | 0 | 5 | 0 | 0 | 0 | 70 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 23.68577731 | 30.99704071 | 11.87642609 | 12.87168525 | null | null | PEPTIDE | 2761492 | H | OH | - | null | null | null | null | null | 1 | null | 21.28472338 | 17.86315205 | 0.0 | 5.309813353 | 0.0 | 12.39081737 | 6.9758269 | 34.75575964 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 11.60093989 | 19.25593153 | 11.16746209 | 0.0 | 20.64179561 | 24.16967483 | 6.434475392 | 0.0 | 0 | null | null | Phe(3-Cl) | 29.1 | null | 90.40784382 | 5.65564076 | 11.62134905 | -1.453298375 | -1.129074074 | 0.0 | -7.438235111 | -5.663376795 | -3.473071499 | 0.0 | 1.2 | null | null | CN[C@H](C=O)Cc1cccc(Cl)c1 | [7921, 7933, 8008, 8009, 8010, 8011, 8012, 8014, 8034, 8039, 8072, 8073, 8074, 8075, 8076, 8077, 8078, 8079, 8080, 8081, 8082, 8083, 8084, 8369, 8370, 8371, 8372, 8373, 8374, 8375, 8376] | ['31', '0', '0', '0', '0', '0'] | 31 | [0, 0, 0, 0, 1, 15, 14, 1, 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 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.744522252 | N[C@@H](Cc1cccc(Cl)c1)C(=O)O |
6bae24d4747eac902c8943b151664bf44df5ed8098e1aaf307eabd32950c044f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 335 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 336 | null | null | null | 3 | 4.46e-18 | -2.550004712 | 1.08e-16 | -2.749241252 | 7.36e-16 | -0.976107508 | 10.16520921 | -0.244062436 | 3.8917726 | 689.8230398 | null | [*]N[C@@H](Cc1cccc(F)c1)C([*])=O |$_R1;;;;;;;;;;;;_R2;$| | null | 20.11880215 | 18.23342636 | 6.233426359 | 11.02350269 | 9.037533573 | 3.090319977 | 1.876454506 | 1.876454506 | 1.046370799 | 1.046370799 | 0.578058179 | 0.578058179 | 3-fluoro-L-phenylalanine | null | null | null | 66.48901695 | 9.184952232 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 16.4901862 | 181.0902922 | 2.153846154 | 3.0 | 3.692307692 | 0.3 | null | null | null | -1.22 | 13 | 169.114 | 336 | H-Phe(3-F)-OH | (2S)-2-amino-3-(3-fluorophenyl)propanoic acid | 94063.0856 | 2.42080112 | 4.720060902 | 2.951371503 | 93.6857939 | null | 13.87712077 | 0.310518291 | 13.87712077 | 0.136726309 | 0.787356859 | 0.136726309 | -3.799331538 | -0.310518291 | 1.1551 | 49.0157 | 181.21 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 3 | 0 | 5 | 0 | 0 | 0 | 70 | null | null | null | null | 10.10435054 | 14.86203364 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 4.390415048 | 0.0 | 0.0 | 12.08483742 | 30.99704071 | 6.853792781 | 12.87168525 | null | null | PEPTIDE | 716315 | H | OH | - | null | null | null | null | null | 1 | null | 25.67513843 | 6.262212162 | 0.0 | 5.309813353 | 0.0 | 12.39081737 | 6.9758269 | 35.55034716 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 4.390415048 | 0.0 | 0.0 | 19.25593153 | 11.16746209 | 5.817220841 | 20.64179561 | 24.16967483 | 1.411842078 | 0.0 | 0 | null | null | Phe(3-F) | 29.1 | null | 102.9742981 | 0.0 | 11.56058516 | -0.787356859 | -1.37212963 | -1.717528817 | -8.809068445 | -5.89829743 | -3.533835388 | 0.0 | 1.2 | null | null | CN[C@H](C=O)Cc1cccc(F)c1 | [7928] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 1, 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 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.705969331 | N[C@@H](Cc1cccc(F)c1)C(=O)O |
b561f58c38d25b9b33e12ad22fa30d9d94e06e3b06070c1b3bfbb7a0ca5c6434 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 336 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 337 | null | null | null | 8 | -5.06e-17 | -2.550912294 | 6.56e-17 | -2.749159693 | 2.71e-16 | -0.976106182 | 10.17059959 | -0.244062285 | 3.8917726 | 689.8230398 | null | [*]N[C@@H](Cc1ccc(Cl)cc1)C([*])=O |$_R1;;;;;;;;;;;;_R2;$| | null | 20.11880215 | 18.23342636 | 6.989355305 | 11.02350269 | 9.037533573 | 3.46828445 | 1.876454506 | 2.254418979 | 1.046370799 | 1.235353036 | 0.5544354 | 0.648926518 | 4-chloro-L-phenylalanine | null | null | null | 65.69442942 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 28.09112609 | 197.0607417 | 2.0 | 2.692307692 | 3.230769231 | 0.3 | null | null | null | -0.86 | 13 | 185.569 | 337 | H-Phe(4-Cl)-OH | (2S)-2-amino-3-(4-chlorophenyl)propanoic acid | 94063.0856 | 2.585321375 | 4.997000012 | 3.167786817 | 99.82352472 | null | 11.6184341 | 0.310518303 | 11.6184341 | 0.136726295 | 0.638072602 | 0.136726295 | -3.697857615 | -0.310518303 | 1.6694 | 54.0677 | 197.665 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 3 | 0 | 5 | 0 | 0 | 0 | 70 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 23.68577731 | 30.99704071 | 11.87642609 | 12.87168525 | null | null | PEPTIDE | 736190 | H | OH | - | null | null | null | null | null | 1 | null | 21.28472338 | 17.86315205 | 0.0 | 5.309813353 | 0.0 | 12.39081737 | 6.9758269 | 34.75575964 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 11.60093989 | 19.25593153 | 11.16746209 | 0.0 | 20.64179561 | 24.16967483 | 6.434475392 | 0.0 | 0 | null | null | Phe(4-Cl) | 29.1 | null | 90.4987713 | 5.596461553 | 11.6184341 | -1.350316082 | -1.149074074 | 0.0 | -7.532019873 | -5.678492693 | -3.475986451 | 0.0 | 1.2 | null | null | CN[C@H](C=O)Cc1ccc(Cl)cc1 | [8017, 8018] | ['2', '0', '0', '0', '0', '0'] | 2 | [0, 0, 0, 0, 0, 1, 0, 1, 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 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.744522252 | N[C@@H](Cc1ccc(Cl)cc1)C(=O)O |
d3d96054d4d5be5ed5255a47153f0b035bec6605e26b4387badcdb724bbdb111 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 337 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 338 | null | null | null | 3 | -0.195228995 | -2.588022086 | -0.10262387 | -2.737514562 | -0.000608852 | -1.050218018 | -7.39e-16 | -0.246520982 | 5.878975662 | 331.3057236 | null | C[C@H](CN[*])C([*])=O |$;;;;_R1;;_R2;$| | null | 15.15470054 | 14.35546189 | 3.355461886 | 7.598076211 | 6.848551336 | 1.401337741 | 0.70066887 | 0.70066887 | 0.269767171 | 0.269767171 | 0.078723473 | 0.078723473 | N.D | null | null | null | 37.7905619 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 15.11942764 | 101.084064 | 2.714285714 | 3.571428571 | 4.0 | 0.8 | null | null | null | -0.37 | 7 | 90.061 | 338 | H-bAib(R)-OH | (2R)-3-amino-2-methylpropanoic acid | 2252.274701 | 0.75988141 | 3.807619893 | 3.460665815 | 59.4231359 | null | 10.9759212 | 0.319056206 | 10.9759212 | 0.123561141 | 0.758125 | 0.123561141 | -3.698263889 | -0.319056206 | 0.0408 | 29.1547 | 101.149 | null | null | null | Backbone | 1 | 2 | null | X | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 5 | 0 | 0 | 0 | 42 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 6.851892117 | 6.9758269 | 24.72764438 | 0.0 | null | null | PEPTIDE | 5459822 | H | OH | - | null | null | null | null | null | 0 | null | 19.91396482 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 6.851892117 | 13.47268658 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.73489875 | 4.794537184 | 5.893957685 | 20.55947768 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Mono113 | 29.1 | null | 76.94562972 | 0.0 | 10.9759212 | -0.758125 | 0.0 | -3.698263889 | 0.0 | -2.130555556 | -10.66793981 | 0.0 | 1.2 | null | null | CNC[C@@H](C)C=O | [8036, 8037, 8038, 8039, 8040] | ['5', '0', '0', '0', '0', '0'] | 5 | [0, 0, 0, 0, 0, 0, 3, 0, 2, 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 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.508461426 | C[C@H](CN)C(=O)O |
f4626c185a914f572894cf314880872f0e69c9bcfeef5dc7ef7123548157bdcc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 338 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 339 | null | null | null | 2 | -3.24e-16 | -2.639846378 | -0.032378789 | -2.79316206 | -9.1e-17 | -1.108046993 | -1.09e-15 | -0.246758412 | 6.726893154 | 593.2699362 | null | CC(C)(O)COC[C@H](N[*])C([*])=O |$;;;;;;;;;_R1;;_R2;$| | null | 24.0689141 | 22.67195847 | 5.671958467 | 12.36584316 | 10.86917206 | 2.513710176 | 1.549844705 | 1.549844705 | 0.550943376 | 0.550943376 | 0.212194059 | 0.212194059 | N.D | null | null | null | 56.98855042 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 9.845671145 | 23.40442008 | 175.1208434 | 2.25 | 3.083333333 | 3.583333333 | 0.875 | null | null | null | -0.45 | 12 | 158.092 | 339 | N.D | (2S)-2-amino-3-(2-hydroxy-2-methylpropoxy)propanoic acid | 214186.3717 | 1.693728117 | 5.240595172 | 6.272355742 | 96.94223449 | null | 11.53390243 | 0.388067961 | 11.53390243 | 0.210946094 | 1.000671296 | 0.210946094 | -4.341189059 | -0.388067961 | -0.4392 | 46.0285 | 175.228 | null | null | null | Backbone | 2 | 4 | null | S | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 2 | 4 | 0 | 10 | 0 | 0 | 0 | 72 | null | null | null | null | 19.95002168 | 9.044812797 | 0.0 | 1.431199657 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 20.67961113 | 12.33682701 | 31.59070655 | null | null | PEPTIDE | 142490730 | H | OH | - | null | null | null | null | null | 0 | null | 36.61342875 | 6.262212162 | 1.431199657 | 5.309813353 | 0.0 | 25.32272751 | 20.09379739 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 44.51496068 | 9.531400138 | 0.0 | 34.26516258 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Ser(tBuOH) | 58.56 | null | 128.3334019 | 0.0 | 11.53390243 | 2.671448531 | -4.195263487 | 0.0 | -4.136061508 | -2.412422052 | -20.37833912 | 0.0 | 1.2 | null | null | CN[C@H](C=O)COCC(C)(C)O | [7979, 7980, 7981, 7982, 7983, 7984, 7985, 7986, 7987, 7988, 8066] | ['10', '1', '0', '0', '0', '0'] | 11 | [0, 0, 0, 0, 0, 0, 0, 4, 6, 1, 0, 0, 0, 0] | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.537314698 | CC(C)(O)COC[C@H](N)C(=O)O |
7f1c1cd04419639586e075a80f63b0046551813299a455475c5005fc3fb741b7 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 340 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 341 | null | null | null | 9 | -0.12941763 | -2.669637368 | -0.102798295 | -2.723996452 | -1.98e-16 | -1.094062608 | -1.15e-15 | -0.248522767 | 6.596414683 | 487.0314853 | null | CCN([*])CCCC([*])=O |$;;;_R1;;;;;_R2;$| | null | 20.15470054 | 19.35546189 | 4.355461886 | 10.05940108 | 9.374944538 | 1.874944538 | 0.911079067 | 0.911079067 | 0.393039533 | 0.393039533 | 0.137318917 | 0.137318917 | N.D | null | null | null | 50.72941008 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 20.56137834 | 129.1153641 | 2.0 | 2.888888889 | 3.444444444 | 0.857142857 | null | null | null | -0.37 | 9 | 114.083 | 341 | N.D | 4-(ethylamino)butanoic acid | 23462.04985 | 0.981049145 | 5.761061599 | 5.501919994 | 77.92481699 | null | 10.99868115 | 0.30662926 | 10.99868115 | 0.11953911 | 0.943680556 | 0.11953911 | -4.1425 | -0.30662926 | 0.9172 | 38.469 | 129.203 | null | null | null | Backbone | 0 | 2 | null | X | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 7 | 0 | 0 | 0 | 54 | null | null | null | null | 9.694446915 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 6.851892117 | 26.34247117 | 25.56354469 | 0.0 | null | null | PEPTIDE | 13082753 | H | OH | - | null | null | null | null | null | 0 | null | 25.35591553 | 6.262212162 | 0.0 | 4.899909731 | 0.0 | 19.59774192 | 19.96954627 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 31.13166816 | 4.794537184 | 0.0 | 40.15912026 | 0.0 | 0.0 | 0.0 | 0 | null | null | Mono114 | 20.31 | null | 108.9884024 | 0.0 | 10.05500059 | 0.0 | 0.0 | 0.0 | 0.0 | -10.1872893 | -15.68944704 | 0.0 | 1.2 | null | null | CCN(C)CCCC=O | [7974, 7975] | ['2', '0', '0', '0', '0', '0'] | 2 | [0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.406113631 | CCNCCCC(=O)O |
232188c9cc3f02f78df8124dad95cf51bbf2aca1aa22773c93efcc56dabf1801 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 341 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 342 | null | null | null | 1 | -2.28e-16 | -2.600183393 | -0.046798363 | -2.765835826 | -5.66e-16 | -1.03777097 | -3.36e-16 | -0.244124407 | 3.960705573 | 467.1072985 | null | [*]NC1(C([*])=O)CCCC1 |$_R1;;;;_R2;;;;;$| | null | 18.15470054 | 17.35546189 | 4.355461886 | 9.348076211 | 8.598551336 | 2.151337741 | 1.424275668 | 1.424275668 | 0.864714116 | 0.864714116 | 0.404406208 | 0.404406208 | Cycloleucine | null | null | null | 49.57847727 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 17.86094475 | 127.099714 | 2.0 | 2.666666667 | 3.111111111 | 0.857142857 | null | null | null | -0.37 | 9 | 114.083 | 342 | H-Ac5c-OH | 1-aminocyclopentane-1-carboxylic acid | 16291.46313 | 1.07385794 | 2.479660165 | 1.129932955 | 73.95712998 | null | 11.70458333 | 0.30825785 | 11.70458333 | 0.139516654 | 0.807546296 | 0.139516654 | -3.821180556 | -0.30825785 | 0.7175 | 36.3227 | 127.187 | null | null | null | Backbone | 1 | 2 | null | X | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 3 | 1 | 0 | 1 | 52 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 12.7458498 | 19.7216767 | 15.07834412 | 5.538925252 | null | null | PEPTIDE | 2901 | H | OH | - | null | null | null | null | null | 1 | null | 22.65548194 | 6.262212162 | 0.0 | 5.309813353 | 0.0 | 31.03062486 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 18.77696431 | 4.794537184 | 0.0 | 41.94080228 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Ac5c | 29.1 | null | 96.87618056 | 0.0 | 11.70458333 | -0.807546296 | -3.821180556 | 0.0 | 0.0 | -17.19599537 | -3.589375 | 0.0 | 1.2 | null | null | CNC1(C=O)CCCC1 | [8093, 8094, 8095, 8096, 8097, 8098, 8099, 8100, 8101, 8102, 8103, 8104, 8105, 8106, 8107, 8108, 8109, 8347, 8348, 8349, 8350, 8351, 8352, 8353, 8354, 8355, 8356, 8357, 8358, 8359, 8360, 8361, 8362, 8363, 8364, 8365, 8366, 8367, 8368, 8377, 8378, 8379, 8380, 8381, 8382] | ['45', '0', '0', '0', '0', '0'] | 45 | [0, 0, 0, 0, 0, 0, 5, 26, 14, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.55359914 | NC1(C(=O)O)CCCC1 |
a8b3fee2ecb7656a86ab2414461335e0f47cf092ee11403e2b99d296e5cd0750 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 342 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 343 | null | null | null | 5 | 2.78e-17 | -2.600690298 | 0.4192 | -2.751113615 | 1.529588366 | -1.002564668 | 11.87369633 | -0.24407277 | 4.017234368 | 872.4216794 | null | [*]N[C@@H](CCc1cc(F)c(C(F)(F)F)c(F)c1)C([*])=O |$_R1;;;;;;;;;;;;;;;;;;_R2;$| | null | 25.11880215 | 20.74528425 | 8.745284251 | 13.48482756 | 10.29346252 | 4.346248923 | 2.938195811 | 2.938195811 | 1.706326391 | 1.706326391 | 0.981462346 | 0.981462346 | N.D | null | null | null | 78.33407529 | 26.74661242 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 16.4901862 | 281.0839051 | 1.631578947 | 2.210526316 | 2.631578947 | 0.416666667 | null | null | null | -1.5 | 19 | 269.128 | 343 | N.D | (2S)-2-amino-4-[3,5-difluoro-4-(trifluoromethyl)phenyl]butanoic acid | 950006.3891 | 5.474719908 | 6.096309112 | 3.986354496 | 123.0778197 | null | 14.11215624 | 0.421556689 | 14.11215624 | 0.421556689 | 1.086112056 | 0.31078356 | -5.778182779 | -0.31078356 | 2.7031 | 58.5927 | 281.224 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 7 | 0 | 6 | 0 | 0 | 0 | 106 | null | null | null | null | 10.10435054 | 26.24270597 | 0.0 | 0.0 | 0.0 | 6.176298517 | 0.0 | 8.780830095 | 13.17124514 | 0.0 | 0.0 | 37.36996561 | 9.595309893 | 10.13016814 | null | null | PEPTIDE | 168451630 | H | OH | - | null | null | null | null | null | 1 | null | 43.23679862 | 6.262212162 | 0.0 | 5.309813353 | 0.0 | 24.94004079 | 6.9758269 | 34.84618208 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 21.95207524 | 0.0 | 0.0 | 19.25593153 | 17.3437606 | 11.63444168 | 32.578172 | 12.08483742 | 1.411842078 | 0.0 | 0 | null | null | Hph(4-CF3,3,5-diF) | 29.1 | null | 156.0238477 | 0.0 | 11.63795799 | -1.086112056 | -4.779405287 | -5.468506315 | -8.591108277 | -17.00663509 | -3.813371948 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CCc1cc(F)c(C(F)(F)F)c(F)c1 | [] | ['0', '0', '0', '0', '0', '0'] | 0 | [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 | 1 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.663881678 | N[C@@H](CCc1cc(F)c(C(F)(F)F)c(F)c1)C(=O)O |
6f8e385c51cc4ebae885721a5e86d0eac210d12666a8489239609c1c07083587 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 343 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 344 | null | null | null | 7 | -0.015931404 | -2.602767009 | -1.04e-16 | -2.751066074 | -1.65e-16 | -1.00260969 | -4.87e-16 | -0.246122469 | 4.017234368 | 857.5640015 | null | Cc1ccc(CC[C@H](N[*])C([*])=O)cc1 |$;;;;;;;;;_R1;;_R2;;;$| | null | 25.11880215 | 23.85546189 | 6.855461886 | 13.48482756 | 11.84855134 | 3.401337741 | 2.062472269 | 2.062472269 | 1.139379681 | 1.139379681 | 0.572988991 | 0.572988991 | 4-methyl-L-homophe | null | null | null | 79.46006462 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 23.34397898 | 191.1310142 | 1.857142857 | 2.642857143 | 3.214285714 | 0.416666667 | null | null | null | -1.15 | 14 | 174.138 | 344 | H-hPhe(4-Me)-OH | (2S)-2-amino-4-(4-methylphenyl)butanoic acid | 950006.3891 | 2.02512184 | 5.552892854 | 3.30389136 | 109.2749952 | null | 11.78641223 | 0.31078356 | 11.78641223 | 0.136397055 | 0.902362056 | 0.136397055 | -4.11015625 | -0.31078356 | 1.71452 | 58.4117 | 191.274 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 2 | 0 | 7 | 0 | 0 | 0 | 76 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 29.73312632 | 32.13702031 | 13.70758556 | 12.87168525 | null | null | PEPTIDE | 72208743 | H | OH | - | null | null | null | null | null | 1 | null | 28.13851616 | 6.262212162 | 0.0 | 5.309813353 | 0.0 | 25.61563439 | 6.9758269 | 35.29657781 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 11.16746209 | 6.851892117 | 39.43196478 | 24.16967483 | 1.411842078 | 0.0 | 0 | null | null | Hph(4-Me) | 29.1 | null | 129.8515806 | 0.0 | 11.78641223 | -0.902362056 | -2.48773862 | 0.0 | -9.199387834 | -10.31373718 | -6.818100488 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CCc1ccc(C)cc1 | [8089] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 1, 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 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.717864692 | Cc1ccc(CC[C@H](N)C(=O)O)cc1 |
81b72eeb0ee49e9146fad0be2a5c8e72fe54773fafb312a4ffbe002986762c28 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 344 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 345 | null | null | null | 5 | -6.59e-17 | -2.549844507 | 1.68e-16 | -2.749054695 | 1.889285305 | -0.976101245 | 11.10300873 | -0.244052767 | 3.8917726 | 692.788842 | null | [*]N[C@@H](Cc1cc(Cl)cc(Cl)c1)C([*])=O |$_R1;;;;;;;;;;;;;_R2;$| | null | 20.11880215 | 17.61139083 | 8.123248724 | 11.02350269 | 8.726515809 | 4.03523116 | 2.065436742 | 2.821365688 | 1.140861918 | 1.518826391 | 0.666783661 | 1.093114158 | 3,5-dichloro-L-phenylalanine | null | null | null | 64.67464403 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 38.32130742 | 231.0217693 | 1.857142857 | 2.5 | 3.0 | 0.3 | null | null | null | -0.57 | 14 | 221.022 | 345 | N.D | (2S)-2-amino-3-(3,5-dichlorophenyl)propanoic acid | 94063.0856 | 3.47673297 | 5.34525976 | 3.293587806 | 108.7218204 | null | 11.63523794 | 0.310518291 | 11.63523794 | 0.136726309 | 0.66276396 | 0.136726309 | -3.666615489 | -0.310518291 | 2.3228 | 59.0777 | 232.11 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 4 | 0 | 5 | 0 | 0 | 0 | 76 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 23.20187978 | 37.03945942 | 16.89905941 | 11.50092669 | null | null | PEPTIDE | 185308 | H | OH | - | null | null | null | null | null | 1 | null | 19.91396482 | 29.46409194 | 0.0 | 5.309813353 | 0.0 | 12.39081737 | 6.9758269 | 33.73597424 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 23.20187978 | 19.25593153 | 11.16746209 | 0.0 | 19.27103705 | 18.12725612 | 11.45710871 | 0.0 | 0 | null | null | Phe(3,5-diCl) | 29.1 | null | 83.10147744 | 11.38239263 | 11.63523794 | -2.069353269 | -1.073518519 | 0.0 | -6.268484072 | -5.60968065 | -3.459182611 | 0.0 | 1.2 | null | null | CN[C@H](C=O)Cc1cc(Cl)cc(Cl)c1 | [] | ['0', '0', '0', '0', '0', '0'] | 0 | [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 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.806881692 | N[C@@H](Cc1cc(Cl)cc(Cl)c1)C(=O)O |
9264e8ed21a7146053b9f881c45eeeee2cd81fac4df9ab18714f68fb2d7d05b6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 345 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 346 | null | null | null | 2 | -2.96e-17 | -2.601784012 | 0.262187846 | -2.751037117 | 1.527839209 | -1.002565389 | 11.41674114 | -0.244082831 | 4.017234368 | 874.190266 | null | [*]N[C@@H](CCc1ccc(C(F)(F)F)c(Cl)c1)C([*])=O |$_R1;;;;;;;;;;;;;;;;;_R2;$| | null | 25.11880215 | 21.36731978 | 9.123248724 | 13.48482756 | 10.60448028 | 4.53523116 | 2.749213575 | 3.127178048 | 1.564589713 | 1.848063068 | 0.839165435 | 1.08804497 | N.D | null | null | null | 77.76468562 | 17.96578233 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 29.46188464 | 279.0637764 | 1.833333333 | 2.555555556 | 3.111111111 | 0.416666667 | null | null | null | -1.07 | 18 | 266.585 | 346 | N.D | (2S)-2-amino-4-[3-chloro-4-(trifluoromethyl)phenyl]butanoic acid | 950006.3891 | 4.795954741 | 6.200832413 | 3.994747501 | 126.4549857 | null | 13.13153614 | 0.417342355 | 13.13153614 | 0.417342355 | 0.978473167 | 0.31078356 | -5.347627223 | -0.31078356 | 3.0783 | 63.6867 | 279.689 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 6 | 0 | 6 | 0 | 0 | 0 | 100 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 6.176298517 | 0.0 | 0.0 | 13.17124514 | 0.0 | 17.6433586 | 37.36996561 | 9.595309893 | 22.0870115 | null | null | PEPTIDE | 168435889 | H | OH | - | null | null | null | null | null | 1 | null | 35.82672708 | 17.86315205 | 0.0 | 5.309813353 | 0.0 | 24.94004079 | 6.9758269 | 34.27679242 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 13.17124514 | 0.0 | 11.60093989 | 19.25593153 | 17.3437606 | 0.0 | 33.94893056 | 18.12725612 | 6.434475392 | 0.0 | 0 | null | null | Hph(4-CF3,3-Cl) | 29.1 | null | 137.8816774 | 5.440095812 | 11.723006 | -2.553004102 | -3.583417632 | 0.0 | -9.150728655 | -16.00152707 | -3.728323937 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CCc1ccc(C(F)(F)F)c(Cl)c1 | [] | ['0', '0', '0', '0', '0', '0'] | 0 | [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 | 1 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.839447965 | N[C@@H](CCc1ccc(C(F)(F)F)c(Cl)c1)C(=O)O |
f0d8fdd88c6c8c5e36a47442ba0f0a3fd33715498253de310b4f64b7fb8c3643 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 346 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 347 | null | null | null | 8 | -0.01531282 | -2.613722113 | -1.79e-16 | -2.73394515 | -4.76e-17 | -1.024797115 | -3.52e-16 | -0.246382866 | 4.155348696 | 838.0542265 | null | Cc1ccc(C[C@@H](C([*])=O)N(C)[*])cc1 |$;;;;;;;;_R2;;;;_R1;;$| | null | 25.11880215 | 23.85546189 | 6.855461886 | 13.44615242 | 11.87494454 | 3.374944538 | 2.161079067 | 2.161079067 | 1.18868308 | 1.18868308 | 0.620462463 | 0.620462463 | N-methyl-4-methyl-L-phenylalanine | null | null | null | 79.65306299 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 23.30289545 | 191.1310142 | 1.714285714 | 2.428571429 | 2.928571429 | 0.416666667 | null | null | null | -1.15 | 14 | 174.138 | 347 | Me-Phe(4-Me)-OH | (2S)-2-(methylamino)-3-(4-methylphenyl)propanoic acid | 797111.6564 | 2.02512184 | 4.913353556 | 2.962644147 | 109.4269101 | null | 12.03042312 | 0.301613353 | 12.03042312 | 0.136936033 | 0.841149731 | 0.136936033 | -4.101707176 | -0.301613353 | 1.66662 | 58.422 | 191.274 | null | null | null | Backbone | 0 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 0 | 2 | 0 | 7 | 0 | 0 | 0 | 76 | null | null | null | null | 4.794537184 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 29.73312632 | 32.73992231 | 15.07834412 | 12.87168525 | null | null | PEPTIDE | 66806119 | H | OH | - | null | null | null | null | null | 1 | null | 28.09743264 | 6.262212162 | 0.0 | 4.899909731 | 0.0 | 19.24270949 | 13.9516538 | 35.29657781 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 31.13166816 | 11.16746209 | 6.851892117 | 34.42979844 | 24.16967483 | 0.0 | 0.0 | 0 | null | null | Me_Phe(4-Me) | 20.31 | null | 129.7548276 | 0.0 | 11.18927339 | 0.0 | -2.53895416 | 0.0 | -9.351696783 | -6.28861115 | -10.8481722 | 0.0 | 1.2 | null | null | Cc1ccc(C[C@@H](C=O)N(C)C)cc1 | [8105, 8106, 8107] | ['3', '0', '0', '0', '0', '0'] | 3 | [0, 0, 0, 0, 0, 0, 0, 1, 2, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.674639938 | CN[C@@H](Cc1ccc(C)cc1)C(=O)O |
41f09a2a98cd570b52e138b5305a1ce93a12458c1eb991b89e777f334cd7fe10 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 347 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 348 | null | null | null | 8 | -2.98e-16 | -2.639236113 | -2.59e-16 | -2.751117399 | -1.92e-16 | -1.094529636 | -2.68e-16 | -0.247177126 | 4.427903716 | 1090.208533 | null | CC(C)(C)c1ccc(CC[C@H](N[*])C([*])=O)cc1 |$;;;;;;;;;;;;_R1;;_R2;;;$| | null | 32.61880215 | 31.35546189 | 8.355461886 | 17.23482756 | 15.59855134 | 4.151337741 | 2.812472269 | 2.812472269 | 1.514379681 | 1.514379681 | 0.760488991 | 0.760488991 | 4-tert-butyl-L-homophe | null | null | null | 98.57883932 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 31.56853031 | 233.1779644 | 1.647058824 | 2.352941176 | 2.882352941 | 0.533333333 | null | null | null | -1.15 | 17 | 210.171 | 348 | H-hPhe(4-tBu)-OH | (2S)-2-amino-4-(4-tert-butylphenyl)butanoic acid | 32267859.31 | 2.315795084 | 5.966547712 | 4.310780824 | 136.7996446 | null | 12.00438743 | 0.31078356 | 12.00438743 | 0.136397055 | 1.013002552 | 0.136397055 | -4.351041667 | -0.31078356 | 2.7036 | 72.3747 | 233.355 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 2 | 0 | 6 | 0 | 0 | 0 | 94 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 44.72535118 | 36.26357016 | 21.9321369 | 12.87168525 | null | null | PEPTIDE | 11287784 | H | OH | - | null | null | null | null | null | 1 | null | 36.3630675 | 6.262212162 | 0.0 | 5.309813353 | 0.0 | 44.73440909 | 6.9758269 | 35.29657781 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 16.58245255 | 0.0 | 68.21219247 | 24.16967483 | 1.411842078 | 0.0 | 0 | null | null | Hph(4-tBu) | 29.1 | null | 180.3318284 | 0.0 | 12.00438743 | -1.013002552 | -7.503166297 | 0.0 | -11.15841561 | -10.98780839 | -16.00715629 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CCc1ccc(C(C)(C)C)cc1 | [8097] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 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 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.792264271 | CC(C)(C)c1ccc(CC[C@H](N)C(=O)O)cc1 |
95ba93d4c1373ce66674bdff679eec64e0d65876f55a3c44deafd1a87b4f322c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 348 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 349 | null | null | null | 1 | -1.2e-18 | -2.601559121 | 3.66e-17 | -2.751005764 | 1.52777932 | -1.002563628 | 10.46563333 | -0.244082464 | 3.923242332 | 781.6501274 | null | [*]N[C@@H](CCc1ccc(Cl)c(Cl)c1)C([*])=O |$_R1;;;;;;;;;;;;;;_R2;$| | null | 22.61880215 | 20.11139083 | 8.623248724 | 12.27350269 | 9.976515809 | 4.28523116 | 2.190436742 | 2.946365688 | 1.239076203 | 1.902754962 | 0.628602889 | 0.864830684 | 3,4-dichloro-L-homophe | null | null | null | 71.04756893 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 41.06282453 | 245.0374194 | 1.866666667 | 2.666666667 | 3.333333333 | 0.363636364 | null | null | null | -0.57 | 15 | 233.033 | 349 | N.D | (2S)-2-amino-4-(3,4-dichlorophenyl)butanoic acid | 320157.4329 | 3.459128864 | 6.108964474 | 3.820534549 | 117.8967036 | null | 11.71918828 | 0.31078356 | 11.71918828 | 0.136397055 | 0.587877666 | 0.136397055 | -3.968073665 | -0.31078356 | 2.7129 | 63.6947 | 246.137 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 4 | 0 | 6 | 0 | 0 | 0 | 82 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 29.24429849 | 37.36996561 | 9.595309893 | 21.54619332 | null | null | PEPTIDE | 72208939 | H | OH | - | null | null | null | null | null | 1 | null | 22.65548194 | 29.46409194 | 0.0 | 5.309813353 | 0.0 | 18.76374227 | 6.9758269 | 33.73597424 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 23.20187978 | 19.25593153 | 11.16746209 | 0.0 | 28.38547907 | 18.12725612 | 11.45710871 | 0.0 | 0 | null | null | Hph(3,4-diCl) | 29.1 | null | 99.49942217 | 11.3937264 | 11.71918828 | -2.126605363 | -1.186373299 | 0.0 | -6.913473639 | -9.907415981 | -3.589579677 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CCc1ccc(Cl)c(Cl)c1 | [] | ['0', '0', '0', '0', '0', '0'] | 0 | [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 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.809097424 | N[C@@H](CCc1ccc(Cl)c(Cl)c1)C(=O)O |
c2c3332be59dd250c37140d9cc0578ce9260605afd3a800f1c2119f7e93b2079 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 349 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 350 | null | null | null | 6 | -0.194101728 | -2.829051044 | -0.10262838 | -2.773431763 | -0.00060784 | -1.180523881 | -2.38e-15 | -0.244225201 | 4.228739763 | 812.147923 | null | [*]N[C@@H](CCC1CCCCC1)C([*])=O |$_R1;;;;;;;;;;;;_R2;$| | null | 28.15470054 | 27.35546189 | 6.355461886 | 14.34807621 | 13.59855134 | 3.151337741 | 1.812472269 | 1.812472269 | 1.014379681 | 1.014379681 | 0.510488991 | 0.510488991 | N.D | null | null | null | 75.07017688 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 28.8270132 | 183.1623143 | 2.0 | 2.769230769 | 3.384615385 | 0.909090909 | null | null | null | -0.37 | 13 | 162.127 | 350 | H-Abu(cHex)-OH | (2S)-2-amino-4-cyclohexylbutanoic acid | 2285482.267 | 1.510459362 | 6.139847601 | 3.899848989 | 110.6566624 | null | 11.91877023 | 0.310793132 | 11.91877023 | 0.136385151 | 1.131895668 | 0.136385151 | -4.770625 | -0.310793132 | 2.1338 | 54.7207 | 183.295 | null | null | null | Backbone | 1 | 2 | null | F | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 6 | 1 | 0 | 1 | 76 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 31.86462451 | 25.61563439 | 24.67365401 | 7.388651025 | null | null | PEPTIDE | 22839041 | H | OH | - | null | null | null | null | null | 1 | null | 33.62155039 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 50.62836678 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 72.02564543 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Hch | 29.1 | null | 163.9672169 | 0.0 | 11.91877023 | -1.131895668 | 0.0 | -4.688064059 | -4.446573838 | -33.56627947 | -3.886507464 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CCC1CCCCC1 | [8090] | ['1', '0', '0', '0', '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 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.661536162 | N[C@@H](CCC1CCCCC1)C(=O)O |
92df6bccc1dfcadb9cf4053dd9647548491c38f72c3d91b9751d74f46c915413 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 350 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 351 | null | null | null | 3 | 3.04e-17 | -2.54929896 | 1.02e-16 | -2.749172884 | 1.519882381 | -0.976103642 | 11.09394229 | -0.244052805 | 3.8917726 | 694.788842 | null | [*]N[C@@H](Cc1cc(F)cc(Cl)c1)C([*])=O |$_R1;;;;;;;;;;;;;_R2;$| | null | 20.11880215 | 17.61139083 | 7.367319778 | 11.02350269 | 8.726515809 | 3.657266687 | 2.065436742 | 2.443401215 | 1.140861918 | 1.329844154 | 0.666783661 | 0.844234624 | N.D | null | null | null | 65.46923156 | 9.184952232 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 26.72036753 | 215.0513199 | 2.071428571 | 2.857142857 | 3.5 | 0.3 | null | null | null | -0.93 | 14 | 204.567 | 351 | N.D | (2S)-2-amino-3-(3-chloro-5-fluorophenyl)propanoic acid | 94063.0856 | 3.28653262 | 5.076161953 | 3.086776433 | 102.5840896 | null | 13.91267633 | 0.310518286 | 13.91267633 | 0.136726317 | 0.76921627 | 0.136726317 | -3.77464018 | -0.310518286 | 1.8085 | 54.0257 | 215.655 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 4 | 0 | 5 | 0 | 0 | 0 | 76 | null | null | null | null | 10.10435054 | 14.86203364 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 4.390415048 | 0.0 | 0.0 | 11.60093989 | 37.03945942 | 11.87642609 | 11.50092669 | null | null | PEPTIDE | 66815479 | H | OH | - | null | null | null | null | null | 1 | null | 24.30437987 | 17.86315205 | 0.0 | 5.309813353 | 0.0 | 12.39081737 | 6.9758269 | 34.53056177 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 4.390415048 | 0.0 | 11.60093989 | 19.25593153 | 11.16746209 | 5.817220841 | 19.27103705 | 18.12725612 | 6.434475392 | 0.0 | 0 | null | null | Phe(3-Cl,5-F) | 29.1 | null | 95.8590428 | 5.53564076 | 11.57447405 | -1.702022865 | -1.316574074 | -1.661973262 | -7.39626185 | -5.844601285 | -3.519946499 | 0.0 | 1.2 | null | null | CN[C@H](C=O)Cc1cc(F)cc(Cl)c1 | [] | ['0', '0', '0', '0', '0', '0'] | 0 | [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 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.776627094 | N[C@@H](Cc1cc(F)cc(Cl)c1)C(=O)O |
1387d8398e2593e207bff29406555f90b241dfb787cedd03e0e1be11392b1666 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 351 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 352 | null | null | null | 9 | -0.108985261 | -2.678868724 | -0.101933573 | -2.759470681 | -3.15e-16 | -1.03777097 | -8.6e-16 | -0.244322203 | 4.197338886 | 620.5196561 | null | CN([*])[C@H](C([*])=O)C1CCCC1 |$;;_R1;;;_R2;;;;;;$| | null | 23.15470054 | 22.35546189 | 5.355461886 | 11.80940108 | 11.12494454 | 2.624944538 | 1.661079067 | 1.661079067 | 0.994584779 | 0.994584779 | 0.545629681 | 0.545629681 | N-methyl-2-cyclopentyl-L-glycine | null | null | null | 62.51732545 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 23.30289545 | 155.1310142 | 1.909090909 | 2.545454545 | 3.0 | 0.888888889 | null | null | null | -0.37 | 11 | 138.105 | 352 | Me-Gly(cPent)-OH | (2S)-2-cyclopentyl-2-(methylamino)acetic acid | 170622.6512 | 1.291290836 | 3.860612094 | 2.02717324 | 92.45881106 | null | 12.02958475 | 0.301614713 | 12.02958475 | 0.136879437 | 0.997546296 | 0.136879437 | -4.395138889 | -0.301614713 | 1.3057 | 45.497 | 155.241 | null | null | null | Backbone | 0 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 5 | 1 | 0 | 1 | 64 | null | null | null | null | 4.794537184 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 12.7458498 | 32.59146129 | 20.56137834 | 7.388651025 | null | null | PEPTIDE | 23589229 | H | OH | - | null | null | null | null | null | 1 | null | 28.09743264 | 6.262212162 | 0.0 | 4.899909731 | 5.893957685 | 31.50959207 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 31.13166816 | 4.794537184 | 5.893957685 | 48.79459506 | 0.0 | 0.0 | 0.0 | 0 | null | null | Me_Gly(cPent) | 20.31 | null | 129.9042682 | 0.0 | 11.03203845 | 0.0 | 0.0 | -4.331712963 | -4.395138889 | -18.61012661 | -7.932661565 | 0.0 | 1.2 | null | null | CN(C)[C@H](C=O)C1CCCC1 | [8107, 8108, 8109, 8347, 8348, 8349, 8350, 8354] | ['8', '0', '0', '0', '0', '0'] | 8 | [0, 0, 0, 0, 0, 0, 0, 2, 6, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.572587221 | CN[C@H](C(=O)O)C1CCCC1 |
cfc510e97ac69fdc88c5ab759eaa92baee63b3a286dfefd0e469a158a7b03c67 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 352 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 353 | null | null | null | 5 | -2.68e-17 | -2.551428316 | 0.114140096 | -2.749317147 | 1.107 | -0.976108482 | 11.17628625 | -0.244062767 | 4.062935684 | 807.7216312 | null | [*]N[C@@H](Cc1cccc(C(F)(F)F)c1)C([*])=O |$_R1;;;;;;;;;;;;;;;_R2;$| | null | 22.61880215 | 19.4893553 | 7.489355305 | 12.23482756 | 9.665498046 | 3.71828445 | 2.435231338 | 2.435231338 | 1.360353036 | 1.360353036 | 0.742676518 | 0.742676518 | 3-trifluoromethyl-L-phenylalanine | null | null | null | 72.41154612 | 17.96578233 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 16.4901862 | 231.0870987 | 1.875 | 2.625 | 3.1875 | 0.363636364 | null | null | null | -1.36 | 16 | 219.121 | 353 | H-Phe(3-CF3)-OH | (2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid | 277248.5153 | 3.837968239 | 5.115512289 | 3.341182435 | 108.3818068 | null | 13.19706129 | 0.415919487 | 13.19706129 | 0.415919487 | 0.930851757 | 0.310518302 | -5.455519534 | -0.310518302 | 2.0348 | 54.0597 | 231.217 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 5 | 0 | 5 | 0 | 0 | 0 | 88 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 6.176298517 | 0.0 | 0.0 | 13.17124514 | 0.0 | 18.12725612 | 24.954622 | 6.853792781 | 18.43513674 | null | null | PEPTIDE | 2777600 | H | OH | - | null | null | null | null | null | 1 | null | 34.45596852 | 6.262212162 | 0.0 | 5.309813353 | 0.0 | 18.56711589 | 6.9758269 | 35.29657781 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 13.17124514 | 0.0 | 0.0 | 19.25593153 | 17.3437606 | 0.0 | 26.2052471 | 24.16967483 | 1.411842078 | 0.0 | 0 | null | null | Phe(3-CF3) | 29.1 | null | 128.8094361 | 0.0 | 11.62901687 | -0.930851757 | -3.851394558 | 0.0 | -10.50573653 | -11.80543686 | -3.678366638 | 0.0 | 1.2 | null | null | CN[C@H](C=O)Cc1cccc(C(F)(F)F)c1 | [8085] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 1, 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 | 1 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.803235709 | N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O |
3337678d5c5e210889fc3b382d343c073848728b0fea5541134e59785830f709 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 353 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 354 | null | null | null | 3 | -0.015312171 | -2.650540117 | -9.2e-17 | -2.75658917 | -8.26e-17 | -1.072940091 | -2.72e-16 | -0.24868303 | 4.258470907 | 943.3638572 | null | CCN([*])[C@@H](Cc1ccc(C)cc1)C([*])=O |$;;;_R1;;;;;;;;;;;_R2;$| | null | 27.61880215 | 26.35546189 | 7.355461886 | 14.69615242 | 13.12494454 | 3.624944538 | 2.272882466 | 2.272882466 | 1.300486479 | 1.300486479 | 0.676364163 | 0.676364163 | N-ethyl-4-methyl-L-phenylalanine | null | null | null | 86.0259879 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 26.04441257 | 205.1466642 | 1.733333333 | 2.533333333 | 3.066666667 | 0.461538462 | null | null | null | -1.15 | 15 | 186.149 | 354 | Et-Phe(4-Me)-OH | (2S)-2-(ethylamino)-3-(4-methylphenyl)propanoic acid | 2751545.456 | 2.119265074 | 5.663219405 | 3.479769566 | 118.6017932 | null | 12.25703877 | 0.301613171 | 12.25703877 | 0.136945891 | 0.986983064 | 0.136945891 | -4.317332176 | -0.301613171 | 2.05672 | 63.039 | 205.301 | null | null | null | Backbone | 0 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 0 | 2 | 0 | 8 | 0 | 0 | 0 | 82 | null | null | null | null | 4.794537184 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 36.58501844 | 32.26095509 | 17.81986123 | 12.87168525 | null | null | PEPTIDE | 168451629 | H | OH | - | null | null | null | null | null | 1 | null | 30.83894975 | 6.262212162 | 0.0 | 4.899909731 | 0.0 | 26.0946016 | 13.47268658 | 35.29657781 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 30.65270095 | 11.16746209 | 6.851892117 | 44.02320767 | 24.16967483 | 0.0 | 0.0 | 0 | null | null | Et_Phe(4-Me) | 20.31 | null | 146.3738884 | 0.0 | 11.27005571 | 0.0 | -2.69257283 | 0.0 | -9.856486639 | -6.578888928 | -15.34932901 | 0.0 | 1.2 | null | null | CCN(C)[C@H](C=O)Cc1ccc(C)cc1 | [8108, 8109] | ['2', '0', '0', '0', '0', '0'] | 2 | [0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.685719974 | CCN[C@@H](Cc1ccc(C)cc1)C(=O)O |
474a6c8a76963b33b87611a8b47214eae94731df716b079f8664f606cceda265 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 354 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 355 | null | null | null | 9 | -1.66e-17 | -2.602238988 | 0.048597064 | -2.75106698 | 1.107 | -1.002581086 | 10.69210985 | -0.244092924 | 4.017234368 | 868.9930134 | null | [*]N[C@@H](CCc1ccc(C(F)(F)F)cc1)C([*])=O |$_R1;;;;;;;;;;;;;;;;_R2;$| | null | 25.11880215 | 21.9893553 | 7.989355305 | 13.48482756 | 10.91549805 | 3.96828445 | 2.560231338 | 2.560231338 | 1.422853036 | 1.422853036 | 0.714725668 | 0.714725668 | 4-trifluoromethyl-L-homophe | null | null | null | 78.78447102 | 17.96578233 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 19.23170331 | 245.1027487 | 1.705882353 | 2.352941176 | 2.823529412 | 0.416666667 | null | null | null | -1.36 | 17 | 231.132 | 355 | H-hPhe(4-CF3)-OH | (2S)-2-amino-4-[4-(trifluoromethyl)phenyl]butanoic acid | 950006.3891 | 3.815597043 | 5.816413911 | 4.185431902 | 117.5566899 | null | 13.09598059 | 0.415909837 | 13.09598059 | 0.415909837 | 0.992362056 | 0.31078356 | -5.403182779 | -0.31078356 | 2.4249 | 58.6767 | 245.244 | null | null | null | Backbone | 1 | 2 | null | F | 0 | 0 | 0 | 1 | 0 | 1 | 2 | 1 | 5 | 0 | 6 | 0 | 0 | 0 | 94 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 6.176298517 | 0.0 | 0.0 | 13.17124514 | 0.0 | 12.08483742 | 37.36996561 | 9.595309893 | 18.43513674 | null | null | PEPTIDE | 51893619 | H | OH | - | null | null | null | null | null | 1 | null | 37.19748564 | 6.262212162 | 0.0 | 5.309813353 | 0.0 | 24.94004079 | 6.9758269 | 35.29657781 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 13.17124514 | 0.0 | 0.0 | 19.25593153 | 17.3437606 | 0.0 | 35.31968911 | 24.16967483 | 1.411842078 | 0.0 | 0 | null | null | Hph(4-CF3) | 29.1 | null | 144.9607505 | 0.0 | 11.71203206 | -0.992362056 | -3.73773862 | 0.0 | -11.15549894 | -16.13121843 | -3.739297874 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CCc1ccc(C(F)(F)F)cc1 | [8088, 8091, 8092, 8093, 8094] | ['5', '0', '0', '0', '0', '0'] | 5 | [0, 0, 0, 0, 0, 1, 2, 2, 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 | 1 | 0 | 0 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.80709296 | N[C@@H](CCc1ccc(C(F)(F)F)cc1)C(=O)O |
cb30c07523b5f936b15c0d999f522d34bb30bfe5696f36209cacf24270a88b0b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 355 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 356 | null | null | null | 1 | -0.154425146 | -2.538660954 | -0.158369941 | -2.633951334 | -3.9e-16 | -1.06797731 | -8.62e-16 | -0.244322203 | 5.022717526 | 137.485298 | null | CN(C)[*] |$;;;_R1$| | null | 11.07735027 | 10.9472136 | 1.947213595 | 5.366025404 | 5.170820393 | 0.670820393 | 0.335410197 | 0.335410197 | 0.0 | 0.0 | 0.0 | 0.0 | C-Terminal dimethylamine | null | null | null | 25.82739043 | 0.0 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 12.33682701 | 59.07349929 | 1.5 | 2.0 | 2.0 | 1.0 | null | null | null | -0.04 | 4 | 50.04 | 356 | N.D | N-methylmethanamine | 161.5068868 | 0.242558361 | 1.297837838 | 1128.96 | 39.87370343 | null | 6.739583333 | 0.312431966 | 6.739583333 | 0.039381679 | 0.4375 | 0.039381679 | -3.15625 | -0.312431966 | 0.1778 | 19.611 | 59.112 | null | null | null | Terminal | 0 | 1 | null | X | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 3 | 0 | 0 | 0 | 26 | null | null | null | null | 4.899909731 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 20.9274807 | 12.33682701 | 0.0 | null | null | PEPTIDE | 674 | H | - | - | null | null | null | null | null | 0 | null | 12.33682701 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 20.9274807 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 25.82739043 | 0.0 | 0.0 | 12.33682701 | 0.0 | 0.0 | 0.0 | 0 | null | null | -nme2 | 3.24 | null | 60.65625 | 0.0 | -0.4375 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | -9.46875 | 0.0 | 1.2 | null | null | CN(C)C | [8106, 8107, 8108, 8109, 8347] | ['5', '0', '0', '0', '0', '0'] | 5 | [0, 0, 0, 0, 0, 0, 0, 1, 4, 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.384462781 | CNC |
8d750b299ba28a08c7b0212b07a50f61062dc4db878dfad3563357a9dd56e3cc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 356 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 357 | null | null | null | 8 | -3.04e-16 | -2.609661691 | -1.58e-16 | -2.755192974 | -5.52e-17 | -1.053890747 | 2.96e-16 | -0.248676699 | 6.970325656 | 682.4315596 | null | CCOC(=O)[C@H](CSCC([*])=O)N(C)[*] |$;;;;;;;;;;_R2;;;;_R1$| | null | 25.64626437 | 23.58020676 | 7.396703338 | 13.14433494 | 11.39556526 | 3.712061846 | 1.583846909 | 2.196219344 | 0.801088025 | 1.281894669 | 0.367969592 | 0.731962304 | N.D | null | null | null | 73.68364953 | 9.589074368 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 4.736862954 | 23.30289545 | 219.0929144 | 1.928571429 | 2.714285714 | 3.285714286 | 0.777777778 | null | null | null | -0.55 | 14 | 202.17 | 357 | N.D | 2-[(2R)-3-ethoxy-2-(methylamino)-3-oxopropyl]sulfanylaceticacid | 436498.8163 | 2.403756042 | 7.817081333 | 5.238188226 | 112.8628196 | null | 12.61547619 | 0.464793759 | 12.61547619 | 0.323686943 | 0.921849254 | 0.323686943 | -4.365509259 | -0.464793759 | 0.4118 | 57.497 | 219.306 | null | null | null | Backbone | 0 | 4 | null | C | 0 | 0 | 0 | 0 | 0 | 0 | 5 | 0 | 5 | 0 | 10 | 0 | 0 | 0 | 82 | null | null | null | null | 9.531400138 | 13.65086319 | 0.0 | 0.0 | 0.0 | 5.969305288 | 9.694446915 | 0.0 | 11.76188495 | 0.0 | 0.0 | 20.80354592 | 29.229775 | 10.67126091 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 0 | null | 37.62883278 | 23.9934024 | 0.0 | 4.899909731 | 0.0 | 12.86978459 | 31.92055281 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 11.76188495 | 55.06987246 | 14.32593732 | 0.0 | 30.15478757 | 0.0 | 0.0 | 0.0 | 0 | null | null | Mono115 | 46.61 | null | 128.9582532 | -0.921849254 | 22.72449308 | 0.0 | -7.563300973 | -2.646662415 | -4.365509259 | -2.093304556 | -15.67545319 | 0.0 | 1.2 | null | null | CCOC(=O)[C@H](CSCC=O)N(C)C | [8113, 8114, 8115, 8116, 8117, 8118, 8119, 8120, 8121, 8122, 8123, 8124, 8125, 8126, 8127, 8128, 8129, 8130, 8131, 8132, 8133, 8134, 8135, 8136, 8137, 8138, 8139, 8140, 8141, 8142, 8143, 8144, 8145, 8146, 8147, 8148, 8149, 8150, 8151, 8152, 8153, 8154, 8155, 8156, 8157, 8158, 8159, 8160, 8161, 8162, 8163, 8164, 8165, 8... | ['234', '0', '0', '0', '0', '0'] | 234 | [27, 0, 2, 8, 20, 30, 50, 34, 42, 20, 1, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.352486853 | CCOC(=O)[C@H](CSCC(=O)O)NC |
cfdb9cdc8fdba507a7aaac88e76840507bad3707697b830698e97978a4eb963b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 357 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 358 | null | null | null | 5 | -0.194016926 | -2.815044944 | -0.102626975 | -2.819436409 | -0.000608142 | -1.163037679 | -6.48e-15 | -0.244151036 | 4.195786664 | 636.0294311 | null | [*]N[C@H](C([*])=O)C1CCCCC1 |$_R1;;;;_R2;;;;;;;$| | null | 23.15470054 | 22.35546189 | 5.355461886 | 11.84807621 | 11.09855134 | 2.651337741 | 1.562472269 | 1.562472269 | 0.945281381 | 0.945281381 | 0.498156208 | 0.498156208 | L-cyclohexylglycine | null | null | null | 62.32432708 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 23.34397898 | 155.1310142 | 2.0 | 2.727272727 | 3.272727273 | 0.888888889 | null | null | null | -0.37 | 11 | 138.105 | 358 | H-Chg-OH | (2S)-2-amino-2-cyclohexylacetic acid | 199431.8355 | 1.291290836 | 4.496153994 | 2.294866398 | 92.30689621 | null | 11.89276502 | 0.310563803 | 11.89276502 | 0.136669743 | 1.036661943 | 0.136669743 | -4.416087963 | -0.310563803 | 1.3536 | 45.4867 | 155.241 | null | null | null | Backbone | 1 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 4 | 1 | 0 | 1 | 64 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 19.1187747 | 25.61563439 | 19.19061979 | 7.388651025 | null | null | PEPTIDE | 736848 | H | OH | - | null | null | null | null | null | 1 | null | 28.13851616 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 37.88251697 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 53.79676141 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Chg | 29.1 | null | 130.4957872 | 0.0 | 11.89276502 | -1.036661943 | 0.0 | -4.416087963 | -4.317013889 | -23.15506177 | -3.797059949 | 0.0 | 1.2 | null | null | CN[C@H](C=O)C1CCCCC1 | [8363, 8396, 8399, 8400, 8402, 8405, 8406, 8414, 8417, 8418, 8426, 8429, 8430, 8432, 8435, 8436] | ['16', '0', '0', '0', '0', '0'] | 16 | [1, 0, 0, 0, 0, 3, 1, 5, 6, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.623300231 | N[C@H](C(=O)O)C1CCCCC1 |
dc84f0ccb18e4b6102089b375c3d047c2594ca24ba639dd6bb43c259c5bb778f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 358 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 359 | null | null | null | 7 | -0.108985075 | -2.821941378 | -0.101933573 | -2.805082 | -8.16e-16 | -1.163776358 | -1.91e-15 | -0.244322203 | 4.368384299 | 703.7679023 | null | CN([*])[C@H](C([*])=O)C1CCCCC1 |$;;_R1;;;_R2;;;;;;;$| | null | 25.65470054 | 24.85546189 | 5.855461886 | 13.05940108 | 12.37494454 | 2.874944538 | 1.786079067 | 1.786079067 | 1.057084779 | 1.057084779 | 0.576879681 | 0.576879681 | N-methyl-L-cyclohexylglycine | null | null | null | 68.89025035 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 26.04441257 | 169.1466642 | 1.75 | 2.416666667 | 2.916666667 | 0.9 | null | null | null | -0.37 | 12 | 150.116 | 359 | Me-Chg-OH | (2S)-2-cyclohexyl-2-(methylamino)acetic acid | 567886.234 | 1.400722969 | 4.605716337 | 2.307508205 | 101.6336942 | null | 12.20943169 | 0.301614713 | 12.20943169 | 0.136879437 | 1.099161943 | 0.136879437 | -4.631712963 | -0.301614713 | 1.6958 | 50.114 | 169.268 | null | null | null | Backbone | 0 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 5 | 1 | 0 | 1 | 70 | null | null | null | null | 4.794537184 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 19.1187747 | 32.59146129 | 23.30289545 | 7.388651025 | null | null | PEPTIDE | 11229045 | H | OH | - | null | null | null | null | null | 1 | null | 30.83894975 | 6.262212162 | 0.0 | 4.899909731 | 5.893957685 | 37.88251697 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 31.13166816 | 4.794537184 | 5.893957685 | 57.90903707 | 0.0 | 0.0 | 0.0 | 0 | null | null | Me_Chg | 20.31 | null | 147.2044064 | 0.0 | 11.11026975 | 0.0 | 0.0 | -4.631712963 | -4.603472222 | -23.99578775 | -8.167036565 | 0.0 | 1.2 | null | null | CN(C)[C@H](C=O)C1CCCCC1 | [8351, 8352, 8353, 8354, 8355, 8356, 8357, 8358, 8359, 8377] | ['10', '0', '0', '0', '0', '0'] | 10 | [0, 0, 0, 0, 0, 0, 3, 7, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.599230512 | CN[C@H](C(=O)O)C1CCCCC1 |
38921d1b437547bab475fc6fcab12d62ad4695830527364c28f8567b262c37eb | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 359 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 360 | null | null | null | 8 | -0.102163171 | -2.717240473 | -0.101576964 | -2.768724121 | -9.06e-16 | -1.136945749 | -9.95e-16 | -0.249153684 | 7.62729103 | 636.8771317 | null | CCN([*])[C@@H](CC(C)C)C([*])=O |$;;;_R1;;;;;;;_R2;$| | null | 25.15470054 | 24.35546189 | 5.355461886 | 12.55940108 | 11.87494454 | 2.374944538 | 1.397882466 | 1.397882466 | 0.675486479 | 0.675486479 | 0.301364163 | 0.301364163 | N-ethyl-L-leucine | null | null | null | 63.47525988 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 26.04441257 | 157.1466642 | 1.909090909 | 2.727272727 | 3.181818182 | 0.888888889 | null | null | null | -0.37 | 11 | 138.105 | 360 | Et-Leu-OH | (2S)-2-(ethylamino)-4-methylpentanoic acid | 258579.0113 | 1.202660764 | 5.302594892 | 4.144917908 | 96.27458322 | null | 12.02116638 | 0.301626157 | 12.02116638 | 0.136614787 | 1.184421296 | 0.136614787 | -4.650462963 | -0.301626157 | 1.5517 | 47.611 | 157.257 | null | null | null | Backbone | 0 | 2 | null | L | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 9 | 0 | 0 | 0 | 66 | null | null | null | null | 4.794537184 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 20.55567635 | 25.73956917 | 23.30289545 | 7.388651025 | null | null | PEPTIDE | 11367161 | H | OH | - | null | null | null | null | null | 0 | null | 30.83894975 | 6.262212162 | 0.0 | 4.899909731 | 5.893957685 | 32.94649372 | 13.47268658 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 30.65270095 | 4.794537184 | 5.893957685 | 52.97301382 | 0.0 | 0.0 | 0.0 | 0 | null | null | Et_Leu | 20.31 | null | 142.0201805 | 0.0 | 10.83674509 | 0.0 | 0.0 | -4.45855017 | -4.624305556 | -7.329282407 | -20.77812075 | 0.0 | 1.2 | null | null | CCN(C)[C@H](C=O)CC(C)C | [8359] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.564298802 | CCN[C@@H](CC(C)C)C(=O)O |
240433c912c7d72580b5d5b4460bb578a0cc7e37755d6fe2fff1148eaca161da | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 360 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 361 | null | null | null | 3 | -0.108469143 | -2.610369501 | -0.037353096 | -2.758494634 | -9.84e-17 | -1.038293051 | -2.37e-16 | -0.246159452 | 6.325593988 | 407.7169268 | null | COC[C@@H](C([*])=O)N(C)[*] |$;;;;;_R2;;;;_R1$| | null | 18.36180732 | 17.26371018 | 4.263710176 | 9.266507858 | 8.283192829 | 1.783192829 | 0.990203212 | 0.990203212 | 0.467987 | 0.467987 | 0.160457718 | 0.160457718 | N,O-dimethyl-L-serine | null | null | null | 44.72860586 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 4.736862954 | 17.81986123 | 131.0946287 | 2.222222222 | 3.0 | 3.444444444 | 0.833333333 | null | null | null | -0.41 | 9 | 118.071 | 361 | Me-Ser(Me)-OH | (2S)-3-methoxy-2-(methylamino)propanoic acid | 9218.997809 | 1.167250376 | 4.4671062 | 3.214245644 | 73.8634791 | null | 11.36682398 | 0.382598769 | 11.36682398 | 0.138961808 | 0.839212963 | 0.138961808 | -3.974305556 | -0.382598769 | -0.2381 | 35.415 | 131.175 | null | null | null | Backbone | 0 | 3 | null | S | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 3 | 0 | 7 | 0 | 0 | 0 | 54 | null | null | null | null | 9.531400138 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 0.0 | 13.9516538 | 15.2625038 | 20.80142905 | null | null | PEPTIDE | 53648134 | H | OH | - | null | null | null | null | null | 0 | null | 27.35126137 | 6.262212162 | 0.0 | 4.899909731 | 0.0 | 6.017892468 | 27.5485915 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 44.72860586 | 9.531400138 | 0.0 | 17.81986123 | 0.0 | 0.0 | 0.0 | 0 | null | null | Me_Ser(Me) | 29.54 | null | 96.03101096 | 0.0 | 10.52761102 | 0.0 | 0.0 | 0.0 | -3.974305556 | -2.297222222 | -11.3569383 | -3.513489229 | 1.2 | null | null | COC[C@@H](C=O)N(C)C | [8357] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 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 | 0.493153649 | CN[C@@H](COC)C(=O)O |
4f0de8c748d624e9ddfb367cb51a4a114f0d23111b7081a3abeeae93558e0dbf | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 361 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 362 | null | null | null | 9 | -0.109334318 | -2.643611176 | -0.037364491 | -2.747366035 | -1.84e-16 | -1.053659358 | -3.4e-16 | -0.246154984 | 6.647887546 | 489.4799363 | null | COCC[C@@H](C([*])=O)N(C)[*] |$;;;;;;_R2;;;;_R1$| | null | 20.86180732 | 19.76371018 | 4.763710176 | 10.51650786 | 9.533192829 | 2.033192829 | 1.115203212 | 1.115203212 | 0.540745153 | 0.540745153 | 0.200913574 | 0.200913574 | N,O-dimethyl-L-homoserine | null | null | null | 51.10153077 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 4.736862954 | 20.56137834 | 145.1102787 | 2.1 | 2.9 | 3.4 | 0.857142857 | null | null | null | -0.41 | 10 | 130.082 | 362 | Me-Hse(Me)-OH | (2S)-4-methoxy-2-(methylamino)butanoic acid | 32373.12102 | 1.271595707 | 5.380708952 | 3.584060984 | 83.03836222 | null | 11.59408305 | 0.384613842 | 11.59408305 | 0.136684569 | 0.941428099 | 0.136684569 | -4.19837963 | -0.384613842 | 0.152 | 40.032 | 145.202 | null | null | null | Backbone | 0 | 3 | null | S | 0 | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 3 | 0 | 8 | 0 | 0 | 0 | 60 | null | null | null | null | 9.531400138 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 0.0 | 20.3245787 | 24.56300615 | 14.24244381 | null | null | PEPTIDE | 88325989 | H | OH | - | null | null | null | null | null | 0 | null | 30.09277848 | 6.262212162 | 0.0 | 4.899909731 | 0.0 | 12.39081737 | 27.5485915 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 44.72860586 | 9.531400138 | 0.0 | 26.93430324 | 0.0 | 0.0 | 0.0 | 0 | null | null | Me_Hse(Me) | 29.54 | null | 112.1288922 | 0.0 | 10.65265495 | 0.0 | 0.0 | 0.0 | -4.196180556 | -6.626373299 | -11.7165625 | -3.575764125 | 1.2 | null | null | COCC[C@@H](C=O)N(C)C | [8356] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 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 | 0.515737685 | CN[C@@H](CCOC)C(=O)O |
6df172b93cee8453a71fcdaa18f0f504262d6a65cb901207f89b615ddcebbf7d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 362 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 363 | null | null | null | 3 | -0.194016349 | -2.515988617 | -0.102627029 | -2.727755133 | -0.000608588 | -0.969997548 | -1.15e-15 | -0.244050351 | 3.450176281 | 401.898698 | null | [*]N[C@H](C([*])=O)C1CC1 |$_R1;;;;_R2;;;;$| | null | 15.65470054 | 14.85546189 | 3.855461886 | 8.098076211 | 7.348551336 | 1.901337741 | 1.187472269 | 1.187472269 | 0.695281381 | 0.695281381 | 0.279406208 | 0.279406208 | L-cyclopropylglycine | null | null | null | 43.20555237 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 15.11942764 | 113.084064 | 2.625 | 3.375 | 3.75 | 0.833333333 | null | null | null | -0.37 | 8 | 102.072 | 363 | H-Gly(cPr)-OH | (2S)-2-amino-2-cyclopropylacetic acid | 5999.155989 | 0.96633094 | 2.266093076 | 1.06808016 | 64.78224686 | null | 11.23020833 | 0.3105638 | 11.23020833 | 0.136669746 | 0.661712963 | 0.136669746 | -3.508680556 | -0.3105638 | 0.1833 | 31.6357 | 113.16 | null | null | null | Backbone | 1 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 4 | 1 | 0 | 1 | 46 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 25.61563439 | 10.96606845 | 7.388651025 | null | null | PEPTIDE | 1501944 | H | OH | - | null | null | null | null | null | 1 | null | 19.91396482 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 18.76374227 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 26.45343536 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Gly(cPr) | 29.1 | null | 79.48759259 | 0.0 | 11.23020833 | -0.661712963 | 0.0 | -3.178587963 | -3.508680556 | -8.078402778 | -3.37375 | 0.0 | 1.2 | null | null | CN[C@H](C=O)C1CC1 | [8364] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 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 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.528985628 | N[C@H](C(=O)O)C1CC1 |
baf503f6087745a3587c5f1b96c2a492d7a068257e8b4fce26a936d3aa602b40 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 363 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 364 | null | null | null | 7 | -0.108985263 | -2.591605185 | -0.101933553 | -2.71412622 | -4.81e-16 | -1.020254632 | -1.02e-18 | -0.244322203 | 3.697785409 | 463.5975235 | null | CN([*])[C@H](C([*])=O)C1CC1 |$;;_R1;;;_R2;;;;$| | null | 18.15470054 | 17.35546189 | 4.355461886 | 9.309401077 | 8.624944538 | 2.124944538 | 1.411079067 | 1.411079067 | 0.807084779 | 0.807084779 | 0.358129681 | 0.358129681 | N-methyl-L-cyclopropylglycine | null | null | null | 49.77147565 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 17.81986123 | 127.099714 | 2.222222222 | 2.888888889 | 3.222222222 | 0.857142857 | null | null | null | -0.37 | 9 | 114.083 | 364 | Me-Gly(cPr)-OH | (2S)-2-cyclopropyl-2-(methylamino)acetic acid | 17061.72227 | 1.07385794 | 2.479660165 | 1.516123665 | 74.10904483 | null | 11.546875 | 0.301614713 | 11.546875 | 0.13687944 | 0.724212963 | 0.13687944 | -3.795138889 | -0.301614713 | 0.5255 | 36.263 | 127.187 | null | null | null | Backbone | 0 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 5 | 1 | 0 | 1 | 52 | null | null | null | null | 4.794537184 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 0.0 | 32.59146129 | 15.07834412 | 7.388651025 | null | null | PEPTIDE | 89042689 | H | OH | - | null | null | null | null | null | 1 | null | 22.61439841 | 6.262212162 | 0.0 | 4.899909731 | 5.893957685 | 18.76374227 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 31.13166816 | 4.794537184 | 5.893957685 | 30.56571103 | 0.0 | 0.0 | 0.0 | 0 | null | null | Me_Gly(cPr) | 20.31 | null | 95.42280093 | 0.0 | 10.82266204 | 0.0 | 0.0 | -3.394212963 | -3.795138889 | -8.569027778 | -7.320416667 | 0.0 | 1.2 | null | null | CN(C)[C@H](C=O)C1CC1 | [8381] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.51520187 | CN[C@H](C(=O)O)C1CC1 |
a25f2878f0be0d17d75ebc705d6390556ee5a92f90ef21c866bd4f652767581f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 364 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 365 | null | null | null | 2 | -0.194016876 | -2.8304371 | -0.102627012 | -2.84310517 | -0.00060844 | -1.151354067 | -2.91e-15 | -0.244085242 | 3.687130586 | 479.1072985 | null | [*]N[C@H](C([*])=O)C1CCC1 |$_R1;;;;_R2;;;;;$| | null | 18.15470054 | 17.35546189 | 4.355461886 | 9.348076211 | 8.598551336 | 2.151337741 | 1.312472269 | 1.312472269 | 0.820281381 | 0.820281381 | 0.373156208 | 0.373156208 | 2-cyclobutyl-L-glycine | null | null | null | 49.57847727 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 17.86094475 | 127.099714 | 2.444444444 | 3.222222222 | 3.777777778 | 0.857142857 | null | null | null | -0.37 | 9 | 114.083 | 365 | H-Gly(cBu)-OH | (2S)-2-amino-2-cyclobutylacetic acid | 16702.29423 | 1.07385794 | 2.968144675 | 1.301816033 | 73.95712998 | null | 11.47156321 | 0.310563802 | 11.47156321 | 0.136669743 | 0.79837963 | 0.136669743 | -3.808680556 | -0.310563802 | 0.5734 | 36.2527 | 127.187 | null | null | null | Backbone | 1 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 4 | 1 | 0 | 1 | 52 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 6.372924901 | 25.61563439 | 13.70758556 | 7.388651025 | null | null | PEPTIDE | 29945860 | H | OH | - | null | null | null | null | null | 1 | null | 22.65548194 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 25.13666717 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 35.56787738 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Gly(cBu) | 29.1 | null | 95.98108985 | 0.0 | 11.47156321 | -0.79837963 | 0.0 | -3.647337963 | -3.808680556 | -12.50477702 | -3.526811224 | 0.0 | 1.2 | null | null | CN[C@H](C=O)C1CCC1 | [8361] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 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 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.561562517 | N[C@H](C(=O)O)C1CCC1 |
c0fcc4cac214e7cfef010eb0c5480f474792687f4d1afb2c9f7ba440d9364950 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 365 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 366 | null | null | null | 6 | -0.108985429 | -2.838415461 | -0.101933572 | -2.828643784 | -5.21e-16 | -1.15277427 | -1.48e-15 | -0.244322203 | 3.90644248 | 543.0608807 | null | CN([*])[C@H](C([*])=O)C1CCC1 |$;;_R1;;;_R2;;;;;$| | null | 20.65470054 | 19.85546189 | 4.855461886 | 10.55940108 | 9.874944538 | 2.374944538 | 1.536079067 | 1.536079067 | 0.932084779 | 0.932084779 | 0.451879681 | 0.451879681 | N-methyl-2-cyclobutyl-L-glycine | null | null | null | 56.14440055 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 20.56137834 | 141.1153641 | 2.1 | 2.8 | 3.3 | 0.875 | null | null | null | -0.37 | 10 | 126.094 | 366 | Me-Gly(cBu)-OH | (2S)-2-cyclobutyl-2-(methylamino)acetic acid | 47484.8582 | 1.182276494 | 3.149583818 | 1.372883352 | 83.28392795 | null | 11.78822988 | 0.301614713 | 11.78822988 | 0.136879437 | 0.86087963 | 0.136879437 | -4.095138889 | -0.301614713 | 0.9156 | 40.88 | 141.214 | null | null | null | Backbone | 0 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 5 | 1 | 0 | 1 | 58 | null | null | null | null | 4.794537184 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 6.372924901 | 32.59146129 | 17.81986123 | 7.388651025 | null | null | PEPTIDE | 96219530 | H | OH | - | null | null | null | null | null | 1 | null | 25.35591553 | 6.262212162 | 0.0 | 4.899909731 | 5.893957685 | 25.13666717 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 31.13166816 | 4.794537184 | 5.893957685 | 39.68015305 | 0.0 | 0.0 | 0.0 | 0 | null | null | Me_Gly(cBu) | 20.31 | null | 112.1947846 | 0.0 | 10.92735025 | 0.0 | 0.0 | -3.862962963 | -4.095138889 | -13.12082719 | -7.626539116 | 0.0 | 1.2 | null | null | CN(C)[C@H](C=O)C1CCC1 | [8378] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.544531551 | CN[C@H](C(=O)O)C1CCC1 |
8233eb8e00eec19231f6822c56531dd501cda1ffc21cd58150a6f229f392d5e3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 366 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 367 | null | null | null | 8 | -0.194016925 | -2.644566925 | -0.102626994 | -2.775660076 | -0.000608291 | -1.03777097 | -4.9e-15 | -0.244118594 | 4.010850902 | 554.5706557 | null | [*]N[C@H](C([*])=O)C1CCCC1 |$_R1;;;;_R2;;;;;;$| | null | 20.65470054 | 19.85546189 | 4.855461886 | 10.59807621 | 9.848551336 | 2.401337741 | 1.437472269 | 1.437472269 | 0.882781381 | 0.882781381 | 0.466906208 | 0.466906208 | L-cyclopentylglycine | null | null | null | 55.95140217 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 20.60246186 | 141.1153641 | 2.2 | 2.9 | 3.4 | 0.875 | null | null | null | -0.37 | 10 | 126.094 | 367 | H-Gly(cPent)-OH | (2S)-2-amino-2-cyclopentylacetic acid | 59941.77142 | 1.182276494 | 3.71450068 | 1.566978157 | 83.13201309 | null | 11.71291808 | 0.310563803 | 11.71291808 | 0.136669743 | 0.935046296 | 0.136669743 | -4.116087963 | -0.310563803 | 0.9635 | 40.8697 | 141.214 | null | null | null | Backbone | 1 | 2 | null | G | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 4 | 1 | 0 | 1 | 58 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 12.7458498 | 25.61563439 | 16.44910267 | 7.388651025 | null | null | PEPTIDE | 10374564 | H | OH | - | null | null | null | null | null | 1 | null | 25.39699905 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 31.50959207 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 44.68231939 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Gly(cPent) | 29.1 | null | 113.4120871 | 0.0 | 11.71291808 | -0.935046296 | 0.0 | -4.116087963 | -4.108680556 | -17.86865127 | -3.679872449 | 0.0 | 1.2 | null | null | CN[C@H](C=O)C1CCCC1 | [8362] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 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 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.593114204 | N[C@H](C(=O)O)C1CCCC1 |
39f16dd2af48c45380f5fbac4919fdd9788c459db696d432f91039865df7d898 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 367 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 368 | null | null | null | 2 | -0.194100796 | -2.579202276 | -0.102628475 | -2.742649827 | -0.00060844 | -0.989283345 | -2.03e-15 | -0.244101813 | 3.559431131 | 483.1072985 | null | [*]N[C@@H](CC1CC1)C([*])=O |$_R1;;;;;;;;_R2;$| | null | 18.15470054 | 17.35546189 | 4.355461886 | 9.348076211 | 8.598551336 | 2.151337741 | 1.312472269 | 1.312472269 | 0.701879681 | 0.701879681 | 0.288439841 | 0.288439841 | L-cyclopropylalanine | null | null | null | 49.57847727 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 17.86094475 | 127.099714 | 2.666666667 | 3.444444444 | 3.888888889 | 0.857142857 | null | null | null | -0.37 | 9 | 114.083 | 368 | H-Ala(cPr)-OH | (2S)-2-amino-3-cyclopropylpropanoic acid | 20604.64373 | 1.07385794 | 2.968144675 | 2.140300725 | 73.95712998 | null | 11.39625142 | 0.310784572 | 11.39625142 | 0.136395797 | 0.809421296 | 0.136395797 | -3.822222222 | -0.310784572 | 0.5734 | 36.2527 | 127.187 | null | null | null | Backbone | 1 | 2 | null | A | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 5 | 1 | 0 | 1 | 52 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 12.7458498 | 19.24270949 | 13.70758556 | 7.388651025 | null | null | PEPTIDE | 6951383 | H | OH | - | null | null | null | null | null | 1 | null | 22.65548194 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 25.13666717 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 35.56787738 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Ala(cPr) | 29.1 | null | 95.53667045 | 0.0 | 11.39625142 | -0.809421296 | 0.0 | -3.337291667 | -3.822222222 | -12.27994756 | -3.517372449 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CC1CC1 | [8365] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 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 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.559384386 | N[C@@H](CC1CC1)C(=O)O |
e75297180de466c43c5bfca084da2ff3dfd4a24d0cab6e7bca34278274e12a43 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 368 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 369 | null | null | null | 3 | -0.194100796 | -2.841854065 | -0.102628456 | -2.806582923 | -0.000608291 | -1.170210615 | -2.71e-15 | -0.244135539 | 3.758299881 | 562.5706557 | null | [*]N[C@@H](CC1CCC1)C([*])=O |$_R1;;;;;;;;;_R2;$| | null | 20.65470054 | 19.85546189 | 4.855461886 | 10.59807621 | 9.848551336 | 2.401337741 | 1.437472269 | 1.437472269 | 0.826879681 | 0.826879681 | 0.382189841 | 0.382189841 | 3-cyclobutyl-L-alanine | null | null | null | 55.95140217 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 20.60246186 | 141.1153641 | 2.5 | 3.3 | 3.9 | 0.875 | null | null | null | -0.37 | 10 | 126.094 | 369 | H-Ala(cBu)-OH | (2S)-2-amino-3-cyclobutylpropanoic acid | 56973.73372 | 1.182276494 | 3.71450068 | 1.805343651 | 83.13201309 | null | 11.57609836 | 0.310784572 | 11.57609836 | 0.136395797 | 0.911036943 | 0.136395797 | -4.103587963 | -0.310784572 | 0.9635 | 40.8697 | 141.214 | null | null | null | Backbone | 1 | 2 | null | A | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 5 | 1 | 0 | 1 | 58 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 19.1187747 | 19.24270949 | 16.44910267 | 7.388651025 | null | null | PEPTIDE | 50999324 | H | OH | - | null | null | null | null | null | 1 | null | 25.39699905 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 31.50959207 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 44.68231939 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Ala(cBu) | 29.1 | null | 112.2734955 | 0.0 | 11.57609836 | -0.911036943 | 0.0 | -3.806041667 | -4.030555556 | -17.05073306 | -3.634559949 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CC1CCC1 | [8366] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 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 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.590813694 | N[C@@H](CC1CCC1)C(=O)O |
801da11cc44142641ce54bd03b3ac0916a2e632e88eb920d7559fd36fc5b5260 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 369 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 370 | null | null | null | 6 | -0.194100792 | -2.674043671 | -0.102628437 | -2.763002849 | -0.000608142 | -1.0444572 | -1.15e-15 | -0.244167414 | 4.041372545 | 640.0294311 | null | [*]N[C@@H](CC1CCCC1)C([*])=O |$_R1;;;;;;;;;;_R2;$| | null | 23.15470054 | 22.35546189 | 5.355461886 | 11.84807621 | 11.09855134 | 2.651337741 | 1.562472269 | 1.562472269 | 0.889379681 | 0.889379681 | 0.475939841 | 0.475939841 | 3-cyclopentane-L-alanine | null | null | null | 62.32432708 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 23.34397898 | 155.1310142 | 2.272727273 | 3.0 | 3.545454545 | 0.888888889 | null | null | null | -0.37 | 11 | 138.105 | 370 | H-Ala(cPent)-OH | (2S)-2-amino-3-cyclopentylpropanoic acid | 203544.2355 | 1.291290836 | 4.496153994 | 2.619308853 | 92.30689621 | null | 11.75594529 | 0.310784572 | 11.75594529 | 0.136395797 | 1.012652589 | 0.136395797 | -4.403587963 | -0.310784572 | 1.3536 | 45.4867 | 155.241 | null | null | null | Backbone | 1 | 2 | null | A | 1 | 0 | 1 | 0 | 0 | 0 | 2 | 1 | 2 | 0 | 5 | 1 | 0 | 1 | 64 | null | null | null | null | 10.10435054 | 9.044812797 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 25.49169961 | 19.24270949 | 19.19061979 | 7.388651025 | null | null | PEPTIDE | 7000137 | H | OH | - | null | null | null | null | null | 1 | null | 28.13851616 | 6.262212162 | 0.0 | 5.309813353 | 5.893957685 | 37.88251697 | 6.9758269 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 19.25593153 | 4.794537184 | 5.893957685 | 53.79676141 | 0.0 | 1.411842078 | 0.0 | 0 | null | null | Ala(cPent) | 29.1 | null | 129.9478205 | 0.0 | 11.75594529 | -1.012652589 | 0.0 | -4.274791667 | -4.238888889 | -22.75901857 | -3.751747449 | 0.0 | 1.2 | null | null | CN[C@H](C=O)CC1CCCC1 | [8367] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 1, 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 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.620882638 | N[C@@H](CC1CCCC1)C(=O)O |
7d37dd319c28f2dffc6059928f3c6df47dd6334a010d0eb0f70508d85ade2c6e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 370 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 371 | null | null | null | 7 | -0.069387539 | -2.647873339 | -4.09e-17 | -2.736858311 | -4.63e-17 | -1.047271735 | 2.49e-16 | -0.244322203 | 6.829826184 | 480.0193529 | null | CN([*])[C@@H](CCC(F)F)C([*])=O |$;;_R1;;;;;;;;_R2;$| | null | 20.15470054 | 18.11139083 | 5.111390832 | 10.05940108 | 8.752909011 | 2.252909011 | 1.296489875 | 1.296489875 | 0.595674198 | 0.595674198 | 0.233507173 | 0.233507173 | N.D | null | null | null | 50.27901435 | 13.57536728 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 17.81986123 | 165.0965205 | 1.818181818 | 2.454545455 | 2.818181818 | 0.857142857 | null | null | null | -0.51 | 11 | 152.079 | 371 | N.D | (2S)-5,5-difluoro-2-(methylamino)pentanoic acid | 22635.38477 | 1.867794113 | 5.181333365 | 4.838144904 | 83.44594679 | null | 13.14202712 | 0.301626502 | 13.14202712 | 0.238259296 | 1.10525463 | 0.238259296 | -5.284322562 | -0.301626502 | 1.1608 | 38.777 | 165.183 | null | null | null | Backbone | 0 | 2 | null | V | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 0 | 4 | 0 | 7 | 0 | 0 | 0 | 66 | null | null | null | null | 4.794537184 | 9.003729275 | 0.0 | 6.401496384 | 0.0 | 0.0 | 4.899909731 | 8.780830095 | 0.0 | 0.0 | 0.0 | 20.3245787 | 20.08051046 | 7.388651025 | null | null | PEPTIDE | 165174483 | H | OH | - | null | null | null | null | null | 0 | null | 31.39522851 | 6.262212162 | 0.0 | 4.899909731 | 0.0 | 25.16523866 | 13.9516538 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 8.780830095 | 0.0 | 0.0 | 37.53316455 | 4.794537184 | 0.0 | 30.56571103 | 0.0 | 0.0 | 0.0 | 0 | null | null | Me_Nva(F2) | 20.31 | null | 118.3053718 | 0.0 | 10.34023148 | 0.0 | 0.0 | 0.0 | -4.433055556 | -17.13804941 | -7.907831633 | 0.0 | 1.2 | null | null | CN(C)[C@H](C=O)CCC(F)F | [8370] | ['1', '0', '0', '0', '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 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 2 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.569625794 | CN[C@@H](CCC(F)F)C(=O)O |
f4188eb6ff234338d98e282b6aa510dfe1f8bb1b4730513feee18fd6013d308d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 371 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 372 | null | null | null | 6 | -0.12689493 | -2.703219386 | -0.034240479 | -2.823341556 | -1.01e-16 | -1.075396306 | -1.68e-16 | -0.24333322 | 3.483104327 | 319.8329599 | null | [*]N1CCOCC1 |$_R1;;;;;;$| | null | 14.78445705 | 14.35546189 | 3.355461886 | 7.573132185 | 7.079068684 | 1.579068684 | 0.865203212 | 0.865203212 | 0.416955963 | 0.416955963 | 0.190397007 | 0.190397007 | C-Terminal morpholineamide | null | null | null | 37.98742649 | 0.0 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 4.736862954 | 15.07834412 | 101.084064 | 1.714285714 | 2.428571429 | 3.0 | 1.0 | null | null | null | -0.08 | 7 | 90.061 | 372 | N.D | morpholine-4-carboxamide | 2317.679428 | 0.755220026 | 2.284554637 | 1.450252015 | 59.52124273 | null | 7.4 | 0.378793176 | 7.4 | 0.059350098 | 0.447916667 | 0.059350098 | -3.3775 | -0.378793176 | -0.0516 | 28.316 | 101.149 | null | null | null | Terminal | 0 | 2 | null | X | 0 | 1 | 1 | 0 | 0 | 0 | 2 | 0 | 2 | 0 | 1 | 0 | 1 | 1 | 42 | null | null | null | null | 9.636772685 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 6.9758269 | 22.58902926 | 18.60100471 | null | null | PEPTIDE | 75088 | H | - | - | null | null | null | null | null | 1 | null | 19.81520707 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 33.08751675 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 37.98742649 | 4.736862954 | 0.0 | 15.07834412 | 0.0 | 0.0 | 0.0 | 0 | null | null | -mor | 12.47 | null | 83.95666667 | 0.0 | -0.447916667 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | -16.75875 | 0.0 | 1.2 | null | null | CN1CCOCC1 | [8349] | ['1', '0', '0', '0', '0', '0'] | 1 | [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 | 1 | 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 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.42388933 | C1COCCN1 |
cf6432a16a3c2f95cd3d0ef58f5641e86a345613433324472beb503e6b5b3b47 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 372 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 373 | null | null | null | 8 | -0.128975552 | -2.773334987 | -0.135173792 | -2.839580785 | -2.31e-16 | -1.107681847 | -1.02e-15 | -0.243281809 | 3.13468477 | 234.027794 | null | [*]N1CCC1 |$_R1;;;;$| | null | 11.57735027 | 11.4472136 | 2.447213595 | 5.866025404 | 5.670820393 | 1.170820393 | 0.684016994 | 0.684016994 | 0.335410197 | 0.335410197 | 0.111803399 | 0.111803399 | C-Terminal azetidine | null | null | null | 26.34247117 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 12.33682701 | 71.07349929 | 2.0 | 2.8 | 3.2 | 1.0 | null | null | null | -0.04 | 5 | 62.051 | 373 | N.D | azetidine | 425.1114035 | 0.399117905 | 0.976756002 | 0.428267195 | 45.23281439 | null | 7.15625 | 0.306270666 | 7.15625 | 0.043093601 | 0.0625 | 0.043093601 | -2.9875 | -0.306270666 | 0.3219 | 22.114 | 71.123 | null | null | null | Terminal | 0 | 1 | null | X | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 1 | 30 | null | null | null | null | 4.899909731 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 26.34247117 | 12.33682701 | 0.0 | null | null | PEPTIDE | 10422 | H | - | - | null | null | null | null | null | 1 | null | 12.33682701 | 0.0 | 0.0 | 4.899909731 | 0.0 | 6.372924901 | 19.96954627 | 0.0 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 24.869456 | 0.0 | 0.0 | 18.70975191 | 0.0 | 0.0 | 0.0 | 0 | null | null | -aze | 3.24 | null | 63.51041667 | 0.0 | -0.0625 | 0.0 | 0.0 | 0.0 | 0.0 | -2.825 | -8.622916667 | 0.0 | 1.2 | null | null | CN1CCC1 | [8348] | ['1', '0', '0', '0', '0', '0'] | 1 | [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 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.397341521 | C1CNC1 |
dfa1e1c7cdb724a1668355321bcb4e3d1c33ace418620fa274b10ba1c9075153 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 373 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 374 | null | null | null | 4 | -7.97e-17 | -2.544606101 | -8.81e-17 | -2.623952572 | 1.1e-16 | -1.040350595 | 1e-15 | -0.244322203 | 3.54875017 | 616.3313838 | null | CN([*])Cc1cn(CC([*])=O)nn1 |$;;_R1;;;;;;;_R2;;;$| | null | 19.30096491 | 17.69710267 | 5.697102672 | 10.44726486 | 8.695764932 | 2.695764932 | 1.622735382 | 1.622735382 | 0.815217822 | 0.815217822 | 0.481283705 | 0.481283705 | N.D | null | null | null | 49.97431827 | 4.794537184 | 0.0 | 4.681802935 | 0.0 | 0 | 0 | 0 | 0 | 10.3120669 | 16.44910267 | 168.101111 | 2.083333333 | 2.916666667 | 3.583333333 | 0.571428571 | null | null | null | -1.23 | 12 | 156.104 | 374 | N.D | 2-[4-(methylaminomethyl)triazol-1-yl]acetic acid | 53704.08451 | 1.982799357 | 3.963016403 | 2.427060713 | 87.83245047 | null | 10.96503984 | 0.303444425 | 10.96503984 | 0.141015311 | 0.035008976 | 0.141015311 | -3.449176312 | -0.303444425 | -0.4614 | 43.477 | 168.2 | null | null | null | Backbone | 0 | 5 | null | X | 0 | 0 | 0 | 0 | 1 | 1 | 5 | 0 | 5 | 0 | 6 | 0 | 0 | 0 | 66 | null | null | null | null | 9.694446915 | 7.632970719 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 4.681802935 | 0.0 | 5.098681808 | 5.213385096 | 13.9516538 | 17.46292813 | 22.47595856 | null | null | PEPTIDE | 81618209 | H | OH | - | null | null | null | null | null | 1 | null | 21.24363986 | 6.262212162 | 0.0 | 19.89377957 | 0.0 | 12.99371937 | 13.9516538 | 11.86682321 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 40.10764553 | 17.78825655 | 0.0 | 22.14303067 | 6.172895211 | 0.0 | 0.0 | 0 | null | null | Mono116 | 51.02 | null | 87.89611639 | 0.0 | 10.47643062 | 6.168018707 | -1.125115741 | 0.0 | 0.0 | -2.985546186 | -13.42990379 | 0.0 | 1.2 | null | null | CN(C)Cc1cn(CC=O)nn1 | [8383, 8384, 8385, 8386, 8387, 8388, 8389, 8390, 8391, 8392, 8393, 8394, 8395, 8396, 8397, 8398, 8399, 8400, 8401, 8402, 8403, 8404, 8405, 8406, 8407, 8408, 8409, 8410, 8411, 8412, 8413, 8414, 8415, 8416, 8417, 8418, 8419, 8420, 8421, 8422, 8423, 8424, 8425, 8426, 8427, 8428, 8429, 8430, 8431, 8432, 8433, 8434, 8435, 8... | ['54', '0', '0', '0', '0', '0'] | 54 | [2, 1, 1, 3, 6, 7, 6, 12, 16, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 4 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.570687083 | CNCc1cn(CC(=O)O)nn1 |
fab4551a56d296f6ed8117e8586a9a73f283c7f0669a228908ef1b36d7d63981 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 374 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 375 | null | null | null | 6 | -1.49e-16 | -2.562033428 | -1.14e-17 | -2.741523047 | -2.37e-17 | -0.994096147 | 6.86e-17 | -0.244152924 | 2.911520158 | 1353.139822 | null | [*]NCc1ccc(CN[C@@H](Cc2ccccc2)C([*])=O)[nH]1 |$_R1;;;;;;;;;;;;;;;;;;_R2;;$| | null | 32.58290377 | 30.74988908 | 9.749889077 | 18.15427097 | 15.38740572 | 5.045764932 | 3.08189946 | 3.08189946 | 1.798396675 | 1.798396675 | 1.061001737 | 1.061001737 | N.D | null | null | null | 108.4904409 | 4.794537184 | 0.0 | 4.97700327 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 28.90918025 | 271.1684623 | 1.5 | 2.25 | 2.95 | 0.3125 | null | null | null | -1.91 | 20 | 250.196 | 375 | N.D | (2S)-2-[[5-(aminomethyl)-1H-pyrrol-2-yl]methylamino]-3-phenylpropanoicacid | 134086623.6 | 3.28738508 | 7.623958979 | 4.329593084 | 148.8271073 | null | 12.43149904 | 0.36014286 | 12.43149904 | 0.165952478 | 0.366631908 | 0.165952478 | -4.150046178 | -0.36014286 | 1.6339 | 80.3941 | 271.364 | null | null | null | Backbone | 3 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 3 | 3 | 4 | 0 | 9 | 0 | 0 | 0 | 106 | null | null | null | null | 20.39116716 | 10.45665488 | 1.411842078 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 30.21209354 | 30.99704071 | 36.71840236 | 16.98396092 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 33.70371743 | 6.262212162 | 0.0 | 15.59662998 | 0.0 | 25.38453674 | 6.9758269 | 59.24823844 | 0 | 0.0 | null | null | null | null | null | null | null | 10.61962671 | 0.0 | 0.0 | 0.0 | 24.2329348 | 24.16118145 | 0.0 | 41.62496149 | 42.29693095 | 4.235526235 | 0.0 | 0 | null | null | Mono117 | 56.92 | null | 166.4463955 | 0.0 | 12.06486713 | -1.537406507 | -4.326301652 | 0.0 | -12.72951886 | -6.332920162 | -11.00178215 | 0.0 | 1.2 | null | null | CNCc1ccc(CN[C@H](C=O)Cc2ccccc2)[nH]1 | [8437, 8438, 8439, 8440] | ['4', '0', '0', '0', '0', '0'] | 4 | [0, 0, 0, 0, 1, 0, 0, 0, 1, 2, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.639691736 | NCc1ccc(CN[C@@H](Cc2ccccc2)C(=O)O)[nH]1 |
638e983fdd71c65e85bb898e119079d77f36da5582b8ad023ebdd796269cb484 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 375 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 376 | null | null | null | 7 | -1.61e-16 | -2.621433282 | -3.78e-17 | -2.72754569 | -7.55e-17 | -0.994115551 | 1.2e-15 | -0.246043206 | 3.110431351 | 1445.082712 | null | CN(Cc1ccc(CN[*])[nH]1)[C@@H](Cc1ccccc1)C([*])=O |$;;;;;;;;;_R1;;;;;;;;;;;_R2;$| | null | 35.08290377 | 33.24988908 | 10.24988908 | 19.36559584 | 16.66379892 | 5.269371729 | 3.305506258 | 3.305506258 | 1.966101774 | 1.966101774 | 1.164725209 | 1.164725209 | N.D | null | null | null | 120.0333675 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 31.60961384 | 285.1841124 | 1.571428571 | 2.380952381 | 3.095238095 | 0.352941176 | null | null | null | -1.91 | 21 | 262.207 | 376 | N.D | (2S)-2-[[5-(aminomethyl)-1H-pyrrol-2-yl]methyl-methylamino]-3-phenylpropanoicacid | 385567099.3 | 3.364573918 | 7.762016009 | 4.547903289 | 158.1539053 | null | 12.74816571 | 0.360136426 | 12.74816571 | 0.165952598 | 0.466631908 | 0.165952598 | -4.436504512 | -0.360136426 | 1.9761 | 85.0214 | 285.391 | null | null | null | Backbone | 2 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 3 | 2 | 4 | 0 | 10 | 0 | 0 | 0 | 112 | null | null | null | null | 15.08135381 | 9.044812797 | 1.411842078 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 30.21209354 | 37.97286761 | 40.83067803 | 16.98396092 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 36.40415102 | 6.262212162 | 0.0 | 15.18672635 | 0.0 | 25.38453674 | 13.9516538 | 59.24823844 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 36.10867143 | 24.16118145 | 0.0 | 45.73723716 | 42.29693095 | 2.823684157 | 0.0 | 0 | null | null | Mono118 | 48.13 | null | 183.9669762 | 0.0 | 11.33955546 | -0.710445528 | -4.719619396 | 0.0 | -13.66780169 | -6.714170162 | -15.66116152 | 0.0 | 1.2 | null | null | CNCc1ccc(CN(C)[C@H](C=O)Cc2ccccc2)[nH]1 | [8441] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.729147738 | CN(Cc1ccc(CN)[nH]1)[C@@H](Cc1ccccc1)C(=O)O |
ccb01bf93a931b393b33bcabc3639783e0dce26e399bc1675cd54263e429b938 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 376 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 377 | null | null | null | 3 | -1.2e-16 | -2.567089406 | -1.02e-16 | -2.743440613 | 2.31e-16 | -0.998979154 | 6.67e-16 | -0.246030444 | 3.072343412 | 1445.082712 | null | Cn1c(CN[*])ccc1CN[C@@H](Cc1ccccc1)C([*])=O |$;;;;;_R1;;;;;;;;;;;;;;;_R2;$| | null | 35.08290377 | 33.24988908 | 10.24988908 | 19.36559584 | 16.66379892 | 5.269371729 | 3.305506258 | 3.305506258 | 2.022003473 | 2.022003473 | 1.166903436 | 1.166903436 | N.D | null | null | null | 120.0333675 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 31.60961384 | 285.1841124 | 1.428571429 | 2.19047619 | 2.857142857 | 0.352941176 | null | null | null | -1.91 | 21 | 262.207 | 377 | N.D | (2S)-2-[[5-(aminomethyl)-1-methylpyrrol-2-yl]methylamino]-3-phenylpropanoicacid | 426199957.5 | 3.364573918 | 7.762016009 | 4.277175995 | 158.1539053 | null | 12.56416686 | 0.349219626 | 12.56416686 | 0.136746434 | 0.429131908 | 0.136746434 | -4.275471348 | -0.349219626 | 1.6443 | 85.0144 | 285.391 | null | null | null | Backbone | 2 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 2 | 4 | 0 | 10 | 0 | 0 | 0 | 112 | null | null | null | null | 19.98126354 | 10.45665488 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 30.21209354 | 30.99704071 | 47.80650493 | 16.98396092 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 36.40415102 | 6.262212162 | 0.0 | 15.18672635 | 6.9758269 | 25.38453674 | 6.9758269 | 59.24823844 | 0 | 0.0 | null | null | null | null | null | null | null | 10.61962671 | 0.0 | 0.0 | 0.0 | 23.82303118 | 31.13700835 | 0.0 | 45.73723716 | 42.29693095 | 2.823684157 | 0.0 | 0 | null | null | Mono119 | 46.06 | null | 183.1419558 | 0.0 | 12.56416686 | -1.737406507 | -4.807831359 | 0.0 | -13.4223434 | -6.511890188 | -15.39331791 | 0.0 | 1.2 | null | null | CNCc1ccc(CN[C@H](C=O)Cc2ccccc2)n1C | [8442, 8443] | ['2', '0', '0', '0', '0', '0'] | 2 | [0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.724960016 | Cn1c(CN)ccc1CN[C@@H](Cc1ccccc1)C(=O)O |
4703a4a29f3f56a52c60ee330820537c03da00a462ed29a0800079395f625bb1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 377 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 378 | null | null | null | 6 | -2.18e-16 | -2.561446237 | -3.84e-17 | -2.741288674 | -6.13e-17 | -0.993700416 | 1.96e-15 | -0.244153024 | 2.911520158 | 1353.139822 | null | [*]NCc1c[nH]c(CN[C@@H](Cc2ccccc2)C([*])=O)c1 |$_R1;;;;;;;;;;;;;;;;;;_R2;;$| | null | 32.58290377 | 30.74988908 | 9.749889077 | 18.15427097 | 15.38740572 | 5.045764932 | 3.095096061 | 3.095096061 | 1.804298375 | 1.804298375 | 1.063952586 | 1.063952586 | N.D | null | null | null | 108.4904409 | 4.794537184 | 0.0 | 4.97700327 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 28.90918025 | 271.1684623 | 1.6 | 2.45 | 3.2 | 0.3125 | null | null | null | -1.91 | 20 | 250.196 | 378 | N.D | (2S)-2-[[4-(aminomethyl)-1H-pyrrol-2-yl]methylamino]-3-phenylpropanoicacid | 134086623.6 | 3.28738508 | 7.623958979 | 4.329593084 | 148.8271073 | null | 12.43149904 | 0.363614676 | 12.43149904 | 0.165641867 | 0.320097044 | 0.165641867 | -4.150046178 | -0.363614676 | 1.6339 | 80.3941 | 271.364 | null | null | null | Backbone | 3 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 3 | 3 | 4 | 0 | 9 | 0 | 0 | 0 | 106 | null | null | null | null | 20.39116716 | 10.45665488 | 1.411842078 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 30.21209354 | 30.51807349 | 37.19736958 | 16.98396092 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 33.70371743 | 6.262212162 | 0.0 | 15.59662998 | 0.0 | 25.38453674 | 6.9758269 | 59.24823844 | 0 | 0.0 | null | null | null | null | null | null | null | 10.61962671 | 0.0 | 0.0 | 0.0 | 24.2329348 | 24.16118145 | 0.0 | 41.49448499 | 42.42740746 | 4.235526235 | 0.0 | 0 | null | null | Mono120 | 56.92 | null | 166.4566355 | 0.0 | 12.11140199 | -1.529906507 | -4.280005356 | 0.0 | -11.4670207 | -7.726267242 | -10.98150437 | 0.0 | 1.2 | null | null | CNCc1c[nH]c(CN[C@H](C=O)Cc2ccccc2)c1 | [8444, 8445] | ['2', '0', '0', '0', '0', '0'] | 2 | [0, 0, 0, 0, 1, 0, 1, 0, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.639691736 | NCc1c[nH]c(CN[C@@H](Cc2ccccc2)C(=O)O)c1 |
2687c1497f600d621c2fedadd1767736eddf555cb0f0b3b9062e8447d4d59a51 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 378 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 379 | null | null | null | 3 | -2.91e-16 | -2.565070259 | -2.03e-18 | -2.742892238 | -9.22e-17 | -0.993691756 | 6.02e-16 | -0.246029918 | 3.064350256 | 1445.082712 | null | Cn1cc(CN[*])cc1CN[C@@H](Cc1ccccc1)C([*])=O |$;;;;;;_R1;;;;;;;;;;;;;;_R2;$| | null | 35.08290377 | 33.24988908 | 10.24988908 | 19.36559584 | 16.66379892 | 5.269371729 | 3.318702859 | 3.318702859 | 1.972003473 | 1.972003473 | 1.172805135 | 1.172805135 | N.D | null | null | null | 115.4662678 | 4.794537184 | 0.0 | 4.567099648 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 31.60961384 | 285.1841124 | 1.523809524 | 2.380952381 | 3.095238095 | 0.352941176 | null | null | null | -1.91 | 21 | 262.207 | 379 | N.D | (2S)-2-[[4-(aminomethyl)-1-methylpyrrol-2-yl]methylamino]-3-phenylpropanoicacid | 417348856.9 | 3.364573918 | 7.762016009 | 4.547903289 | 158.1539053 | null | 12.56416686 | 0.352968829 | 12.56416686 | 0.136746434 | 0.382597044 | 0.136746434 | -4.275471348 | -0.352968829 | 1.6443 | 85.0144 | 285.391 | null | null | null | Backbone | 2 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 2 | 4 | 0 | 10 | 0 | 0 | 0 | 112 | null | null | null | null | 19.98126354 | 10.45665488 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 30.21209354 | 30.51807349 | 48.28547215 | 16.98396092 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 36.40415102 | 6.262212162 | 0.0 | 15.18672635 | 6.9758269 | 25.38453674 | 6.9758269 | 59.24823844 | 0 | 0.0 | null | null | null | null | null | null | null | 10.61962671 | 0.0 | 0.0 | 0.0 | 23.82303118 | 31.13700835 | 0.0 | 45.60676066 | 42.42740746 | 2.823684157 | 0.0 | 0 | null | null | Mono121 | 46.06 | null | 183.001033 | 0.0 | 12.56416686 | -1.70941331 | -4.718826729 | 0.0 | -11.99422025 | -8.113570601 | -15.19583562 | 0.0 | 1.2 | null | null | CNCc1cc(CN[C@H](C=O)Cc2ccccc2)n(C)c1 | [8446] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.724960016 | Cn1cc(CN)cc1CN[C@@H](Cc1ccccc1)C(=O)O |
5259f03057d986b330e6f1d4b4f018929bcc822b974b15b93b87efbc299507b1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 379 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 380 | null | null | null | 1 | -1.34e-16 | -2.554380787 | 1.69e-17 | -2.738914676 | 4.13e-16 | -0.994226603 | 1.45e-15 | -0.244143048 | 2.837188599 | 1305.945014 | null | [*]NCc1ccc(CN[C@@H](Cc2ccccc2)C([*])=O)o1 |$_R1;;;;;;;;;;;;;;;;;;_R2;;$| | null | 31.71266028 | 29.71092377 | 9.710923772 | 17.72675062 | 14.90122682 | 5.006799627 | 3.033192829 | 3.033192829 | 1.76045979 | 1.76045979 | 1.032806177 | 1.032806177 | N.D | null | null | null | 108.6230798 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 31.9144891 | 272.1524779 | 1.45 | 2.2 | 2.9 | 0.3125 | null | null | null | -1.91 | 20 | 252.188 | 380 | N.D | (2S)-2-[[5-(aminomethyl)furan-2-yl]methylamino]-3-phenylpropanoicacid | 95672957.99 | 3.457732177 | 7.623958979 | 4.329593084 | 146.949249 | null | 12.36963679 | 0.463367167 | 12.36963679 | 0.136747247 | 0.631678167 | 0.136747247 | -4.105879512 | -0.463367167 | 1.8988 | 78.3094 | 272.348 | null | null | null | Backbone | 2 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 2 | 4 | 0 | 9 | 0 | 0 | 0 | 106 | null | null | null | null | 19.83131483 | 21.97714971 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 30.21209354 | 30.99704071 | 6.853792781 | 35.46071451 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 36.70902629 | 6.262212162 | 0.0 | 10.61962671 | 0.0 | 25.38453674 | 6.9758269 | 59.38087728 | 0 | 0.0 | null | null | null | null | null | null | null | 10.61962671 | 0.0 | 0.0 | 0.0 | 19.25593153 | 24.16118145 | 0.0 | 41.75760034 | 46.71408189 | 2.823684157 | 0.0 | 0 | null | null | Mono122 | 54.27 | null | 162.1309989 | 0.0 | 12.36963679 | -1.484906507 | -1.381092694 | -2.932997128 | -12.5244115 | -6.271695672 | -10.82219881 | 0.0 | 1.2 | null | null | CNCc1ccc(CN[C@H](C=O)Cc2ccccc2)o1 | [8447, 8448, 8449, 8450] | ['4', '0', '0', '0', '0', '0'] | 4 | [0, 0, 0, 0, 0, 0, 0, 0, 1, 2, 1, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0.720681853 | NCc1ccc(CN[C@@H](Cc2ccccc2)C(=O)O)o1 |
5e4efc9f075ca592940628c214ab3cf3c003dcf8f36ffe47ca92d09a0bce9289 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 380 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 381 | null | null | null | 1 | -9.74e-17 | -2.614596927 | -4.22e-17 | -2.725186652 | 1.59e-16 | -0.994231238 | 1.28e-15 | -0.246043131 | 3.037068367 | 1397.426087 | null | CN(Cc1ccc(CN[*])o1)[C@@H](Cc1ccccc1)C([*])=O |$;;;;;;;;;_R1;;;;;;;;;;;_R2;$| | null | 34.21266028 | 32.21092377 | 10.21092377 | 18.93807548 | 16.17762002 | 5.230406424 | 3.256799627 | 3.256799627 | 1.928164888 | 1.928164888 | 1.134351423 | 1.134351423 | N.D | null | null | null | 115.1890031 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 34.61492269 | 286.1681279 | 1.523809524 | 2.333333333 | 3.047619048 | 0.352941176 | null | null | null | -1.91 | 21 | 264.199 | 381 | N.D | (2S)-2-[[5-(aminomethyl)furan-2-yl]methyl-methylamino]-3-phenylpropanoicacid | 275397377.7 | 3.52634834 | 7.762016009 | 4.547903289 | 156.276047 | null | 12.68630346 | 0.463358969 | 12.68630346 | 0.136958701 | 0.684195528 | 0.136958701 | -4.392337845 | -0.463358969 | 2.241 | 82.9367 | 286.375 | null | null | null | Backbone | 1 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 1 | 4 | 0 | 10 | 0 | 0 | 0 | 112 | null | null | null | null | 14.52150147 | 20.56530763 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 30.21209354 | 37.97286761 | 10.96606845 | 35.46071451 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 39.40945988 | 6.262212162 | 0.0 | 10.20972308 | 0.0 | 25.38453674 | 13.9516538 | 59.38087728 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 31.13166816 | 24.16118145 | 0.0 | 45.86987601 | 46.71408189 | 1.411842078 | 0.0 | 0 | null | null | Mono123 | 45.48 | null | 179.5074128 | 0.0 | 11.77057512 | -0.684195528 | -1.508870472 | -3.198537094 | -13.46269432 | -6.652945672 | -15.43741152 | 0.0 | 1.2 | null | null | CNCc1ccc(CN(C)[C@H](C=O)Cc2ccccc2)o1 | [8451] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0.756011078 | CN(Cc1ccc(CN)o1)[C@@H](Cc1ccccc1)C(=O)O |
845ac0a767c6768e7954ce7071f9afb4182919921d39f9321b492d69c1cb7453 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 381 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 382 | null | null | null | 6 | -1.66e-16 | -2.556673675 | -1.34e-16 | -2.738899794 | 3.46e-16 | -1.040750912 | 2.12e-15 | -0.244322203 | 2.880360668 | 1383.426087 | null | CN([*])Cc1ccc(CN[C@@H](Cc2ccccc2)C([*])=O)o1 |$;;_R1;;;;;;;;;;;;;;;;;_R2;;$| | null | 34.21266028 | 32.21092377 | 10.21092377 | 18.93807548 | 16.17762002 | 5.230406424 | 3.256799627 | 3.256799627 | 1.816361489 | 1.816361489 | 1.0835788 | 1.0835788 | N.D | null | null | null | 115.1890031 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 34.61492269 | 286.1681279 | 1.476190476 | 2.238095238 | 2.952380952 | 0.352941176 | null | null | null | -1.91 | 21 | 264.199 | 382 | N.D | (2S)-2-[[5-(methylaminomethyl)furan-2-yl]methylamino]-3-phenylpropanoicacid | 268871329.2 | 3.52634834 | 7.762016009 | 5.172568844 | 156.276047 | null | 12.4422952 | 0.463359035 | 12.4422952 | 0.136747247 | 0.694178167 | 0.136747247 | -4.172083215 | -0.463359035 | 2.241 | 82.9367 | 286.375 | null | null | null | Backbone | 1 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 1 | 4 | 0 | 10 | 0 | 0 | 0 | 112 | null | null | null | null | 19.42141121 | 20.56530763 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 0.0 | 30.21209354 | 37.97286761 | 10.96606845 | 35.46071451 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 39.40945988 | 6.262212162 | 0.0 | 10.20972308 | 0.0 | 25.38453674 | 13.9516538 | 59.38087728 | 0 | 0.0 | null | null | null | null | null | null | null | 5.309813353 | 0.0 | 0.0 | 0.0 | 31.13166816 | 24.16118145 | 0.0 | 45.86987601 | 46.71408189 | 1.411842078 | 0.0 | 0 | null | null | Mono124 | 45.48 | null | 178.6746597 | 0.0 | 11.74811703 | -0.905745701 | -1.419545403 | -3.198537094 | -12.96754171 | -6.372315507 | -15.22575801 | 0.0 | 1.2 | null | null | CN(C)Cc1ccc(CN[C@H](C=O)Cc2ccccc2)o1 | [8452, 8453, 8454, 8455] | ['4', '0', '0', '0', '0', '0'] | 4 | [0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0.756011078 | CNCc1ccc(CN[C@@H](Cc2ccccc2)C(=O)O)o1 |
e94faf9c7c0dcdaf3acf22cbe4b6d70e49535506e0cc9b133503d6fdc0d8ea29 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 382 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 383 | null | null | null | 7 | -2.13e-16 | -2.614791347 | -2e-16 | -2.725170178 | 2.01e-16 | -1.04077956 | 4.16e-16 | -0.246271463 | 3.072495111 | 1475.834212 | null | CN([*])Cc1ccc(CN(C)[C@@H](Cc2ccccc2)C([*])=O)o1 |$;;_R1;;;;;;;;;;;;;;;;;;_R2;;$| | null | 36.71266028 | 34.71092377 | 10.71092377 | 20.14940035 | 17.45401322 | 5.454013222 | 3.480406424 | 3.480406424 | 1.984066587 | 1.984066587 | 1.185124046 | 1.185124046 | N.D | null | null | null | 121.7549263 | 4.794537184 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 37.31535629 | 300.183778 | 1.272727273 | 2.0 | 2.636363636 | 0.388888889 | null | null | null | -1.91 | 22 | 276.21 | 383 | N.D | (2S)-2-[methyl-[[5-(methylaminomethyl)furan-2-yl]methyl]amino]-3-phenylpropanoicacid | 773878434.3 | 3.601068005 | 7.917345253 | 4.825353758 | 165.6028449 | null | 12.75896186 | 0.463350837 | 12.75896186 | 0.136958701 | 0.746695528 | 0.136958701 | -4.458541549 | -0.463350837 | 2.5832 | 87.564 | 300.402 | null | null | null | Backbone | 0 | 4 | null | F | 0 | 0 | 0 | 1 | 1 | 2 | 4 | 0 | 4 | 0 | 11 | 0 | 0 | 0 | 118 | null | null | null | null | 14.11159785 | 19.15346556 | 0.0 | 0.0 | 0.0 | 0.0 | 4.899909731 | 0.0 | 0.0 | 0.0 | 30.21209354 | 44.94869451 | 15.07834412 | 35.46071451 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 42.10989347 | 6.262212162 | 0.0 | 9.799819462 | 0.0 | 25.38453674 | 20.9274807 | 59.38087728 | 0 | 0.0 | null | null | null | null | null | null | null | 0.0 | 0.0 | 0.0 | 0.0 | 43.00740479 | 24.16118145 | 0.0 | 49.98215168 | 46.71408189 | 0.0 | 0.0 | 0 | null | null | Mono125 | 36.69 | null | 196.1834811 | 0.0 | 11.04402063 | 0.0 | -1.547323181 | -3.46407706 | -13.90582454 | -6.753565507 | -19.97337812 | 0.0 | 1.2 | null | null | CN(C)Cc1ccc(CN(C)[C@H](C=O)Cc2ccccc2)o1 | [8456] | ['1', '0', '0', '0', '0', '0'] | 1 | [0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0.702221674 | CNCc1ccc(CN(C)[C@@H](Cc2ccccc2)C(=O)O)o1 |
bfa3574feab7f1f32a609f3d069124d5eadea8e548e7681ddd0014dc94c043d6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 383 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 384 | null | null | null | 9 | 0.005062628 | -2.488291759 | 0.09915074 | -2.622700467 | 2.563260002 | -0.993705543 | 11.20264696 | -0.24413795 | 2.765239107 | 2033.35512 | null | [*]NCc1cccc(N(Cc2ccccc2[N+](=O)[O-])C(=O)c2cccc(C([*])=O)c2)c1 |$_R1;;;;;;;;;;;;;;;;;;;;;;;;;;;_R2;;;$| | null | 39.77905619 | 35.47463395 | 14.47463395 | 23.00234719 | 18.06225104 | 7.615037449 | 5.032358411 | 5.032358411 | 3.221019413 | 3.221019413 | 2.014733523 | 2.014733523 | N.D | null | null | null | 153.4095753 | 19.70339264 | 0.0 | 0.0 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 28.8270132 | 403.1532062 | 1.266666667 | 2.066666667 | 2.833333333 | 0.130434783 | null | null | null | -3.84 | 30 | 382.27 | 384 | N.D | 3-[[3-(aminomethyl)phenyl]-[(2-nitrophenyl)methyl]carbamoyl]benzoicacid | 16388468424.0 | 6.852282585 | 9.576771611 | 4.763200629 | 203.218455 | null | 14.49034108 | 0.315694113 | 14.49034108 | 0.273894923 | 0.575498394 | 0.273894923 | -4.21035667 | -0.315694113 | 3.9737 | 114.6451 | 403.438 | null | null | null | Backbone | 1 | 7 | null | X | 0 | 0 | 0 | 3 | 0 | 3 | 5 | 1 | 7 | 0 | 9 | 0 | 0 | 0 | 152 | null | null | null | null | 10.20972308 | 9.044812797 | 0.0 | 0.0 | 11.594566 | 0.0 | 19.70339264 | 0.0 | 0.0 | 0.0 | 42.29693095 | 36.70895322 | 41.77081192 | 30.61079052 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 3 | null | 43.33939862 | 23.54416444 | 0.0 | 5.309813353 | 0.0 | 12.99371937 | 11.87573663 | 104.8771487 | 0 | 0.0 | null | null | null | null | null | null | null | 10.20972308 | 11.37477255 | 0.0 | 0.0 | 24.06852984 | 12.99371937 | 10.11431827 | 59.25805146 | 72.50902449 | 1.411842078 | 0.0 | 0 | null | null | Mono126 | 92.55 | null | 170.8461743 | 0.0 | 36.63231054 | 11.40950559 | -9.614731758 | -2.238979631 | -17.3781365 | -1.875025639 | -11.69778359 | 0.0 | 1.2 | null | null | CNCc1cccc(N(Cc2ccccc2[N+](=O)[O-])C(=O)c2cccc(C=O)c2)c1 | [8457, 8459, 8461, 8462, 8464, 8465] | ['6', '0', '0', '0', '0', '0'] | 6 | [1, 0, 0, 0, 2, 0, 0, 0, 2, 1, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 0 | 2 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 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 | 0 | 0 | 1 | 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 | 0.348947316 | NCc1cccc(N(Cc2ccccc2[N+](=O)[O-])C(=O)c2cccc(C(=O)O)c2)c1 |
0827c2a455ea7ebb87e32d5a06f85931ceb52c77b6cc6709011eed9f6f9b72d3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Monomer_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Monomer_All.csv.jsonl | 384 | all | CycPeptMPDB | CycPeptMPDB_Monomer_All | monomer | CycPeptMPDB_Monomer_All | null | null | 385 | null | null | null | 8 | 2.56e-16 | -2.476402339 | 0.080923129 | -2.622019215 | 1.922225191 | -0.993691 | 10.85709204 | -0.244062638 | 2.876538172 | 1274.75798 | null | [*]NCc1cccc(NC(=O)c2cccc(C([*])=O)c2)c1 |$_R1;;;;;;;;;;;;;;;;;_R2;;;$| | null | 28.23760431 | 25.71092377 | 9.710923772 | 16.20491224 | 12.94710267 | 5.052675481 | 3.216231631 | 3.216231631 | 1.933784686 | 1.933784686 | 1.160718365 | 1.160718365 | N.D | null | null | null | 101.6689822 | 9.589074368 | 0.0 | 5.309813353 | 0.0 | 0 | 0 | 0 | 0 | 0.0 | 22.01430394 | 268.1211778 | 1.45 | 2.3 | 3.1 | 0.125 | null | null | null | -2.46 | 20 | 252.188 | 385 | N.D | 3-[[3-(aminomethyl)phenyl]carbamoyl]benzoicacid | 18415459.47 | 4.022128422 | 6.632670417 | 3.522425059 | 139.9666756 | null | 13.05526754 | 0.321987316 | 13.05526754 | 0.25518164 | 0.335292423 | 0.25518164 | -3.463547631 | -0.321987316 | 2.4708 | 78.9884 | 268.316 | null | null | null | Backbone | 2 | 4 | null | X | 0 | 0 | 0 | 2 | 0 | 2 | 3 | 2 | 4 | 0 | 6 | 0 | 0 | 0 | 102 | null | null | null | null | 10.61962671 | 9.044812797 | 1.411842078 | 0.0 | 5.907179729 | 0.0 | 9.589074368 | 0.0 | 0.0 | 0.0 | 24.16967483 | 36.70895322 | 30.16494172 | 10.96606845 | null | null | PEPTIDE | N.D | H | OH | - | null | null | null | null | null | 2 | null | 31.60337831 | 17.85677817 | 0.0 | 5.309813353 | 0.0 | 6.496859684 | 12.28564025 | 65.02970414 | 0 | 0.0 | null | null | null | null | null | null | null | 10.61962671 | 5.687386275 | 0.0 | 0.0 | 19.14521879 | 6.496859684 | 0.0 | 45.47004863 | 48.33934966 | 2.823684157 | 0.0 | 0 | null | null | Mono127 | 58.2 | null | 124.0619381 | 0.0 | 24.6053811 | -0.915001234 | -4.599392172 | -1.731302949 | -9.066539979 | -1.644324081 | -6.877425446 | 0.0 | 1.2 | null | null | CNCc1cccc(NC(=O)c2cccc(C=O)c2)c1 | [8458, 8460, 8463, 8466] | ['4', '0', '0', '0', '0', '0'] | 4 | [1, 0, 0, 0, 0, 0, 1, 1, 1, 0, 0, 0, 0, 0] | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 2 | 0 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 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 | 0.818967516 | NCc1cccc(NC(=O)c2cccc(C(=O)O)c2)c1 |
0aa2f5e3e7305f15d31f3a5379119aef6204afe066d3e102ae53f62a5aafb5c3 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 0 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | 78 | 1 | -6.6 | -6.6 | Circle | 4 | -3.72e-16 | -2.741631859 | -3.95e-16 | -2.890258212 | -2.31e-16 | -1.136047084 | 1.15e-16 | -0.249287767 | 8.516208569 | 6899.875158 | 174.0 | null | null | 161.0635132 | 151.818329 | 40.81832904 | 83.32454392 | 75.13118955 | 19.93408688 | 13.7037587 | 13.7037587 | 8.107632225 | 8.107632225 | 4.665881388 | 4.665881388 | null | null | null | null | 450.1857519 | 44.02860789 | 52.73990902 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.350367 | 1201.841368 | 0.564705882 | 1.082352941 | 1.588235294 | 0.790322581 | 173.0 | PEPTIDE1{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE1,PEPTIDE1,1:R1-11:R2$$$ | PEPTIDE1{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/... | -6.13 | 85 | 1090.747 | 1 | null | null | 4.96e+74 | 13.26598462 | 34.87150528 | 21.65558178 | 664.6651694 | null | 18.025327 | 0.390126486 | 18.025327 | 0.245643649 | 3.146713736 | 0.245643649 | -8.388333089 | -0.390126486 | 3.269 | 328.4446 | 1202.635 | Circle | 11 | 11 | null | 5 | 23 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 12 | 5 | 23 | 0 | 40 | 0 | 1 | 1 | 486 | Cyclosporine A | -6.6 | -6.620415814 | -0.186784244 | 60.64742972 | 60.17892468 | 5.647368313 | 66.41017668 | 0.0 | 0.0 | 52.73990902 | 0.0 | 0.0 | 0.0 | 108.0306331 | 100.0509296 | 173.5698169 | 33.13825605 | null | -6.6 | null | null | null | null | null | null | null | null | null | null | 1 | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 208.7964925 | 64.97897702 | 1.431199657 | 55.53862153 | 41.2577038 | 220.9786581 | 55.32764799 | 12.10414349 | 0 | 0.0 | [['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA', 'RRCK'], ['PAMPA', 'Caco2'], ['PAMPA']] | [22, 932, 981, 1822, 1862, 2356, 7188, 7353] | [['-5.96'], ['-5.01'], ['-5.96'], ['-6.20'], ['-5.25'], ['-6.15', '-5.87'], ['-5.71', '-5.58'], ['-5.72']] | ['2011_White', '2015_Ahlbach', '2015_Bockus_1', '2016_Hickey', '2017_Price', '2018_Naylor', '2021_Lee', '2022_Lee'] | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54] | 21.23925341 | 0.0 | 0.0 | 0.0 | 227.4049437 | 52.73990902 | 41.2577038 | 300.0201224 | 12.10414349 | 5.647368313 | 0.0 | 0 | 2006_Rezai_1 | 1 | null | 278.8 | null | 992.9384945 | 0.0 | 165.6557411 | -9.339386785 | 0.0 | -108.5974979 | -85.82308579 | -51.24993928 | -163.1676591 | 0.0 | 1.0 | 2006 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 11 | 0 | 0 | 0 | 7 | 4 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.147924715 | null |
21ca3f2f1ab4a8aac0f44d6e3d3d1dd2d8ba61dfa4068b270be826d4ae91c668 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 1 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'dL', 'L', 'dL', 'P', 'Y'] | 33 | 2 | -6.2 | -6.2 | Circle | 5 | -2.06e-16 | -2.716753673 | -1.33e-16 | -2.89458429 | -2.12e-16 | -1.135790365 | 4.33e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 163.0 | null | null | 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 | 165.0 | PEPTIDE2{[dL].[dL].L.[dL].P.Y}$PEPTIDE2,PEPTIDE2,1:R1-6:R2$$$ | PEPTIDE2{<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/Y/">Y</a>}$PEPTIDE2,PEPTIDE2,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 2 | 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.1 | -6.2 | 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 | -6.2 | 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 | [['PAMPA', 'Caco2']] | [1048] | [['-5.46', '-4.92']] | ['2015_Wang'] | ['dL', 'dL', 'L', '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 | 2006_Rezai_1 | 2 | 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 | 2006 | 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 |
4f7ed9ab51765b6c1af1ec0530044eeb5308eecf994f53bb44336804ac4cc4e5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 2 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'dL', 'dL', 'dL', 'P', 'Y'] | 34 | 3 | -7.0 | -7 | Circle | 9 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 163.0 | null | null | 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 | 162.0 | PEPTIDE3{[dL].[dL].[dL].[dL].P.Y}$PEPTIDE3,PEPTIDE3,1:R1-6:R2$$$ | PEPTIDE3{<a href="/monomers/dL/">[dL]</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>}$PEPTIDE3,PEPTIDE3,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 3 | 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.2 | -7.0 | 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 | -7.0 | 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 | null | null | null | null | ['dL', '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 | 2006_Rezai_1 | 3 | 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 | 2006 | 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 |
445e123fd4b9d7a60cf9d54c31d0a9ceefd525b6e70fabf8507b43f2482f7d37 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 3 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'L', 'dL', 'P', 'Y'] | 31 | 4 | -7.1 | -7.1 | Circle | 6 | -2.39e-16 | -2.716753673 | -1.73e-16 | -2.89458429 | -2.19e-16 | -1.135790365 | 7.25e-17 | -0.24928777 | 3.600346506 | 3800.979834 | 146.0 | null | null | 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 | 142.0 | PEPTIDE4{L.L.L.[dL].P.Y}$PEPTIDE4,PEPTIDE4,1:R1-6:R2$$$ | PEPTIDE4{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</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>}$PEPTIDE4,PEPTIDE4,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 4 | null | null | 1.1599999999999999e+35 | 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 | -7.1 | 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 | -7.1 | 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](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=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 | null | null | null | null | ['L', 'L', 'L', '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 | 2006_Rezai_1 | 4 | 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 | 2006 | 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 |
9daa7ad045a5c3251e5560ae05827bdb6eb5944f47920fe9cdf21a38d849a365 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 4 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'dL', 'dL', 'P', 'Y'] | 33 | 5 | -7.2 | -7.2 | Circle | 8 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 164.0 | null | null | 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 | 165.0 | PEPTIDE5{L.[dL].[dL].[dL].P.Y}$PEPTIDE5,PEPTIDE5,1:R1-6:R2$$$ | PEPTIDE5{<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>}$PEPTIDE5,PEPTIDE5,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 5 | 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.4 | -7.2 | 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 | -7.2 | 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', 'Caco2']] | [1045] | [['-5.79', '-5.84']] | ['2015_Wang'] | ['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 | 2006_Rezai_1 | 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 | 2006 | 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 |
0315fb69ad72235d638a6e3b72ef1fd1648b8a66ab239b74c4beb3a3e43d10a5 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 5 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'L', 'L', 'dP', 'Y'] | 31 | 6 | -7.3 | -7.3 | Circle | 2 | -2.39e-16 | -2.716753673 | -1.73e-16 | -2.89458429 | -2.19e-16 | -1.135790365 | 7.25e-17 | -0.24928777 | 3.600346506 | 3800.979834 | 158.0 | null | null | 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 | 155.0 | PEPTIDE6{L.L.L.L.[dP].Y}$PEPTIDE6,PEPTIDE6,1:R1-6:R2$$$ | PEPTIDE6{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE6,PEPTIDE6,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 6 | null | null | 1.1599999999999999e+35 | 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.5 | -7.3 | 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 | -7.3 | 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](Cc2ccc(O)cc2)NC(=O)[C@H]2CCCN2C(=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 | null | null | null | null | ['L', 'L', 'L', 'L', '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 | 2006_Rezai_1 | 6 | 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 | 2006 | 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 |
2402c427066a3028772a0bdf55e26c8bb7aa2be222318c872b64068c9b5ef3f2 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 6 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'dL', 'dL', 'dL', 'dP', 'Y'] | 35 | 7 | -7.3 | -7.3 | Circle | 8 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 157.0 | null | null | 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 | 157.0 | PEPTIDE7{[dL].[dL].[dL].[dL].[dP].Y}$PEPTIDE7,PEPTIDE7,1:R1-6:R2$$$ | PEPTIDE7{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE7,PEPTIDE7,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 7 | 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.6 | -7.3 | 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 | -7.3 | 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 | null | null | null | null | ['dL', 'dL', 'dL', '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 | 2006_Rezai_1 | 7 | 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 | 2006 | 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 |
c44bc467cdfa1daa292d9143c99e10061f7bdf71ecdd2600f4022d12272536e6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 7 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'L', 'dL', 'dL', 'P', 'Y'] | 32 | 8 | -7.3 | -7.3 | Circle | 5 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 161.0 | null | null | 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 | 161.0 | PEPTIDE8{L.L.[dL].[dL].P.Y}$PEPTIDE8,PEPTIDE8,1:R1-6:R2$$$ | PEPTIDE8{<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</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>}$PEPTIDE8,PEPTIDE8,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 8 | 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.7 | -7.3 | 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 | -7.3 | 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 | null | null | null | null | ['L', 'L', '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 | 2006_Rezai_1 | 8 | 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 | 2006 | 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 |
9432bf362442b3bf56f965f3454083d71256495c94ca0283798dba9c688c0187 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 8 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'L', 'dL', 'dP', 'Y'] | 33 | 9 | -8.1 | -8.1 | 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 | 150.0 | null | null | 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 | Could not be detected by LC/MS in the acceptor well of the PAMPA assay after 72 h. An upper limit logPe value of -8.1 was set according to the detection limit of the LC/MS. | 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 | 151.0 | PEPTIDE9{L.[dL].L.[dL].[dP].Y}$PEPTIDE9,PEPTIDE9,1:R1-6:R2$$$ | PEPTIDE9{<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>}$PEPTIDE9,PEPTIDE9,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 9 | 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.8 | -8.1 | 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 | -8.1 | 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', 'Caco2']] | [1066] | [['-6.96', '-6.23']] | ['2015_Wang'] | ['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 | 2006_Rezai_1 | 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 | 2006 | 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 |
50de2821f5b3993b16090a345939a61ba859a3b8fc45a07227a152c3b1fb77b0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 9 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'L', 'L', 'dP', 'Y'] | 32 | 10 | -8.1 | -8.1 | Circle | 1 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 153.0 | null | null | 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 | Could not be detected by LC/MS in the acceptor well of the PAMPA assay after 72 h. An upper limit logPe value of -8.1 was set according to the detection limit of the LC/MS. | 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 | 176.0 | PEPTIDE10{L.[dL].L.L.[dP].Y}$PEPTIDE10,PEPTIDE10,1:R1-6:R2$$$ | PEPTIDE10{<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/Y/">Y</a>}$PEPTIDE10,PEPTIDE10,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 10 | 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.9 | -8.1 | 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 | -8.1 | 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 | [['RRCK'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA', 'RRCK'], ['PAMPA'], ['PAMPA', 'Caco2']] | [23, 1017, 1049, 2346, 2456, 7452] | [['-5.74'], ['-6.55', '-5.70'], ['-5.91', '-5.91'], ['-5.64', '-5.87'], ['-6.52'], ['-5.60', '-5.18']] | ['2011_White', '2015_Lewis', '2015_Wang', '2018_Naylor', '2020_Hosono', '2023_Ghosh'] | ['L', 'dL', 'L', 'L', '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 | 2006_Rezai_1 | 10 | 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 | 2006 | 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 |
bbfa6031025a5d81c56509b9cd54a0b968d4f08413a06d1c1eeb21ea0cbf6a75 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 10 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'P', 'dL', 'dL', 'dL', 'L'] | 39 | 11 | -6.47 | -6.47 | Circle | 6 | -2.65e-16 | -2.716332709 | -2.33e-16 | -2.894700287 | -1.53e-16 | -1.135790752 | 2.75e-16 | -0.24928777 | 3.611477828 | 3907.527995 | 136.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.9635076 | 43.52594951 | 12.78988153 | 8.609972981 | 8.609972981 | 4.978637647 | 4.978637647 | 3.087432282 | 3.087432282 | null | null | null | null | 275.018302 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 61.68413503 | 726.4679983 | 0.730769231 | 1.134615385 | 1.538461538 | 0.692307692 | 136.0 | PEPTIDE11{[Tyr(Me)].P.[dL].[dL].[dL].L}$PEPTIDE11,PEPTIDE11,1:R1-6:R2$$$ | PEPTIDE11{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE11,PEPTIDE11,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 11 | null | null | 4.3899999999999996e+35 | 8.391326645 | 19.61322449 | 12.50824557 | 396.4531072 | null | 16.48343483 | 0.496768219 | 16.48343483 | 0.245675543 | 1.95854285 | 0.245675543 | -6.966523322 | -0.496768219 | 2.8507 | 198.9065 | 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 | compd.3 | -6.47 | 2.077576599 | -1.481825677 | 36.18583945 | 41.85686664 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 24.85781369 | 112.2 | -6.47 | null | null | null | null | null | null | null | null | null | null | 3 | COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]3CCCN3C2=O)cc1 | 118.6965342 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 13.53481214 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'P', 'dL', 'dL', 'dL', 'L'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 29.1, 29.1] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 89.98515506 | 35.14014801 | 23.57583074 | 176.7493755 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2006_Rezai_2 | 11 | null | 175.04 | null | 542.3054324 | 0.0 | 94.9692789 | -13.43986031 | -2.783475109 | -52.8543403 | -49.97067358 | -43.3800882 | -49.58221956 | -4.01405427 | 1.0 | 2006 | 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 | 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 | 0.233167164 | null |
0b8d2f33c97b988541623d43d411efcee29da7f08649bf8dc7be06a1b647e985 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 11 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'P', 'dP', 'dL', 'L', 'L'] | 38 | 12 | -7.05 | -7.05 | Circle | 9 | -1.75e-16 | -2.711119352 | -1.51e-16 | -2.886301208 | -1.1e-16 | -1.135601063 | 5.69e-16 | -0.249287768 | 2.902480265 | 3816.692077 | 130.0 | null | null | 88.09941163 | 82.54101961 | 24.54101961 | 46.92483247 | 41.55234271 | 12.76348833 | 8.695383177 | 8.695383177 | 5.29719139 | 5.29719139 | 3.347481777 | 3.347481777 | null | null | null | null | 267.880441 | 17.9431118 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 61.72521855 | 710.4366982 | 0.745098039 | 1.196078431 | 1.68627451 | 0.684210526 | 132.0 | PEPTIDE12{[Tyr(Me)].P.[dP].[dL].L.L}$PEPTIDE12,PEPTIDE12,1:R1-6:R2$$$ | PEPTIDE12{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>}$PEPTIDE12,PEPTIDE12,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 12 | null | null | 3.0399999999999997e+33 | 8.463428819 | 17.85842563 | 10.44532482 | 383.6143668 | null | 16.4565307 | 0.496768219 | 16.4565307 | 0.245675665 | 1.916386776 | 0.245675665 | -6.846776613 | -0.496768219 | 2.3108 | 192.2558 | 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 | compd.25 | -7.05 | 3.141506827 | -1.787185091 | 35.77593583 | 41.85686664 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 79.94063627 | 75.56774507 | 24.85781369 | 150.5 | -7.05 | null | null | null | null | null | null | null | null | null | null | 4 | COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]3CCCN3C(=O)[C@@H]3CCCN3C2=O)cc1 | 113.1724164 | 35.44307838 | 0.0 | 31.03907287 | 17.68187306 | 128.2021067 | 20.03167183 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'P', 'dP', 'dL', 'L', 'L'] | [1.0245999999999995, 0.2794999999999998, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 20.31, 29.1, 29.1, 29.1] | 25.97611637 | 0.0 | 5.749511833 | 0.0 | 101.3819245 | 35.14014801 | 17.68187306 | 165.3062405 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2006_Rezai_2 | 12 | null | 166.25 | null | 509.7826563 | 0.0 | 92.56862691 | -10.37646411 | -2.722514451 | -45.60924115 | -48.50487221 | -47.39434411 | -43.7687156 | -3.975131603 | 1.0 | 2006 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 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 | 0.305423623 | null |
4a1471ab70ac61e8280b64d5205337027abb6a059a29af00cbd9b1b0038f360e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 12 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'P', 'L', 'L', 'dP', 'dL'] | 38 | 13 | -7.27 | -7.27 | Circle | 1 | -2.1e-16 | -2.705003362 | -1.87e-16 | -2.876539618 | -4.12e-17 | -1.135350259 | 1.25e-15 | -0.249287767 | 2.890807946 | 3816.692077 | 120.0 | null | null | 88.09941163 | 82.54101961 | 24.54101961 | 46.92483247 | 41.55234271 | 12.76348833 | 8.695383177 | 8.695383177 | 5.29719139 | 5.29719139 | 3.347481777 | 3.347481777 | null | null | null | null | 267.880441 | 19.35495388 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 60.31337647 | 710.4366982 | 0.745098039 | 1.176470588 | 1.647058824 | 0.684210526 | 119.0 | PEPTIDE13{[Tyr(Me)].P.L.L.[dP].[dL]}$PEPTIDE13,PEPTIDE13,1:R1-6:R2$$$ | PEPTIDE13{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>}$PEPTIDE13,PEPTIDE13,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 13 | null | null | 5.429999999999999e+31 | 8.463428819 | 17.85842563 | 10.44532482 | 383.6143668 | null | 16.40522621 | 0.496768219 | 16.40522621 | 0.245675543 | 1.909433345 | 0.245675543 | -6.767925054 | -0.496768219 | 2.3108 | 192.2558 | 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 | compd.42 | -7.27 | 3.282551839 | -1.72821217 | 35.77593583 | 41.85686664 | 5.647368313 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 79.94063627 | 75.56774507 | 24.85781369 | 119.8 | -7.27 | null | null | null | null | null | null | null | null | null | null | 4 | COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C2=O)cc1 | 113.1724164 | 35.44307838 | 0.0 | 31.03907287 | 17.68187306 | 128.2021067 | 20.03167183 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'P', 'L', 'L', 'dP', 'dL'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 20.31, 29.1] | 25.97611637 | 0.0 | 5.749511833 | 0.0 | 101.3819245 | 35.14014801 | 17.68187306 | 165.3062405 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2006_Rezai_2 | 13 | null | 166.25 | null | 509.7197676 | 0.0 | 92.34056323 | -10.14840042 | -2.709371659 | -45.46579077 | -48.4669216 | -47.55775437 | -43.74320325 | -3.968888724 | 1.0 | 2006 | 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 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 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 | 0.305423623 | null |
0761115c4f16bf25a4805d72dd6e36276c8ecdaf72d8e833d594f5c213e1dc42 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 13 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'P', 'L', 'dL', 'dL', 'dL'] | 39 | 14 | -7.16 | -7.16 | Circle | 9 | -2.65e-16 | -2.716332709 | -2.33e-16 | -2.894700287 | -1.53e-16 | -1.135790752 | 2.75e-16 | -0.24928777 | 3.611477828 | 3907.527995 | 148.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.9635076 | 43.52594951 | 12.78988153 | 8.609972981 | 8.609972981 | 4.978637647 | 4.978637647 | 3.087432282 | 3.087432282 | null | null | null | null | 275.018302 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 61.68413503 | 726.4679983 | 0.730769231 | 1.134615385 | 1.538461538 | 0.692307692 | 151.0 | PEPTIDE14{[Tyr(Me)].P.L.[dL].[dL].[dL]}$PEPTIDE14,PEPTIDE14,1:R1-6:R2$$$ | PEPTIDE14{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>}$PEPTIDE14,PEPTIDE14,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 14 | null | null | 4.3899999999999996e+35 | 8.391326645 | 19.61322449 | 12.50824557 | 396.4531072 | null | 16.48343483 | 0.496768219 | 16.48343483 | 0.245675543 | 1.95854285 | 0.245675543 | -6.966523322 | -0.496768219 | 2.8507 | 198.9065 | 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 | compd.46 | -7.16 | 2.077576599 | -1.481825677 | 36.18583945 | 41.85686664 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 24.85781369 | 170.4 | -7.16 | null | null | null | null | null | null | null | null | null | null | 3 | COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C2=O)cc1 | 118.6965342 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 13.53481214 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'P', 'L', 'dL', 'dL', 'dL'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 29.1, 29.1] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 89.98515506 | 35.14014801 | 23.57583074 | 176.7493755 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2006_Rezai_2 | 14 | null | 175.04 | null | 542.3054324 | 0.0 | 94.9692789 | -13.43986031 | -2.783475109 | -52.8543403 | -49.97067358 | -43.3800882 | -49.58221956 | -4.01405427 | 1.0 | 2006 | 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 | 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 | 0.233167164 | null |
4b4aca725b161f1e49b36ead153d4fbd3863e11bd30ece85bc1ed4dcbf6e1b6d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 14 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'P', 'dL', 'dL', 'dL', 'dL'] | 40 | 15 | -6.52 | -6.52 | Circle | 3 | -2.65e-16 | -2.716332709 | -2.33e-16 | -2.894700287 | -1.53e-16 | -1.135790752 | 2.75e-16 | -0.24928777 | 3.611477828 | 3907.527995 | 131.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.9635076 | 43.52594951 | 12.78988153 | 8.609972981 | 8.609972981 | 4.978637647 | 4.978637647 | 3.087432282 | 3.087432282 | null | null | null | null | 275.018302 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 61.68413503 | 726.4679983 | 0.730769231 | 1.134615385 | 1.538461538 | 0.692307692 | 133.0 | PEPTIDE15{[Tyr(Me)].P.[dL].[dL].[dL].[dL]}$PEPTIDE15,PEPTIDE15,1:R1-6:R2$$$ | PEPTIDE15{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>}$PEPTIDE15,PEPTIDE15,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 15 | null | null | 4.3899999999999996e+35 | 8.391326645 | 19.61322449 | 12.50824557 | 396.4531072 | null | 16.48343483 | 0.496768219 | 16.48343483 | 0.245675543 | 1.95854285 | 0.245675543 | -6.966523322 | -0.496768219 | 2.8507 | 198.9065 | 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 | compd.69 | -6.52 | 2.077576599 | -1.481825677 | 36.18583945 | 41.85686664 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 24.85781369 | 118.1 | -6.52 | null | null | null | null | null | null | null | null | null | null | 3 | COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]3CCCN3C2=O)cc1 | 118.6965342 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 13.53481214 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'P', 'dL', 'dL', 'dL', 'dL'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 29.1, 29.1] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 89.98515506 | 35.14014801 | 23.57583074 | 176.7493755 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2006_Rezai_2 | 15 | null | 175.04 | null | 542.3054324 | 0.0 | 94.9692789 | -13.43986031 | -2.783475109 | -52.8543403 | -49.97067358 | -43.3800882 | -49.58221956 | -4.01405427 | 1.0 | 2006 | 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 | 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 | 0.233167164 | null |
77be523309a146f8eefea4160e6e5159f8051c3657cc8eaa07cb5b990152ff37 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 15 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'P', 'dL', 'L', 'dL', 'dL'] | 39 | 16 | -6.68 | -6.68 | Circle | 1 | -2.65e-16 | -2.716332709 | -2.33e-16 | -2.894700287 | -1.53e-16 | -1.135790752 | 2.75e-16 | -0.24928777 | 3.611477828 | 3907.527995 | 139.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.9635076 | 43.52594951 | 12.78988153 | 8.609972981 | 8.609972981 | 4.978637647 | 4.978637647 | 3.087432282 | 3.087432282 | null | null | null | null | 275.018302 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 61.68413503 | 726.4679983 | 0.730769231 | 1.134615385 | 1.538461538 | 0.692307692 | 137.0 | PEPTIDE16{[Tyr(Me)].P.[dL].L.[dL].[dL]}$PEPTIDE16,PEPTIDE16,1:R1-6:R2$$$ | PEPTIDE16{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>}$PEPTIDE16,PEPTIDE16,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 16 | null | null | 4.3899999999999996e+35 | 8.391326645 | 19.61322449 | 12.50824557 | 396.4531072 | null | 16.48343483 | 0.496768219 | 16.48343483 | 0.245675543 | 1.95854285 | 0.245675543 | -6.966523322 | -0.496768219 | 2.8507 | 198.9065 | 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 | compd.100 | -6.68 | 2.077576599 | -1.481825677 | 36.18583945 | 41.85686664 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 24.85781369 | 116.1 | -6.68 | null | null | null | null | null | null | null | null | null | null | 3 | COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]3CCCN3C2=O)cc1 | 118.6965342 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 13.53481214 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'P', 'dL', 'L', 'dL', 'dL'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 29.1, 29.1] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 89.98515506 | 35.14014801 | 23.57583074 | 176.7493755 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2006_Rezai_2 | 16 | null | 175.04 | null | 542.3054324 | 0.0 | 94.9692789 | -13.43986031 | -2.783475109 | -52.8543403 | -49.97067358 | -43.3800882 | -49.58221956 | -4.01405427 | 1.0 | 2006 | 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 | 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 | 0.233167164 | null |
a457a8b0eb5bbbb4648fb2a86dc108375c0f41cccc19cecbf74fd10265445152 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 16 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'dP', 'L', 'dP', 'dL', 'P', 'dL'] | 45 | 17 | -7.29 | -7.29 | Circle | 7 | -2.39e-16 | -2.692062318 | -2.09e-16 | -2.85979899 | -4.85e-17 | -1.134678724 | 7.45e-16 | -0.249287762 | 2.561696554 | 4447.887347 | 165.0 | null | null | 99.25411216 | 92.89648149 | 27.89648149 | 52.95154147 | 46.92728725 | 14.63843287 | 10.04635613 | 10.04635613 | 6.275071759 | 6.275071759 | 4.009668057 | 4.009668057 | null | null | null | null | 303.9481324 | 26.20874666 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 63.05489358 | 807.489462 | 0.655172414 | 1.034482759 | 1.448275862 | 0.697674419 | 167.0 | PEPTIDE17{[Tyr(Me)].[dP].L.[dP].[dL].P.[dL]}$PEPTIDE17,PEPTIDE17,1:R1-7:R2$$$ | PEPTIDE17{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/dL/">[dL]</a>}$PEPTIDE17,PEPTIDE17,1:R1-7:R2$$$ | -4.69 | 58 | 742.514 | 17 | null | null | 1.61e+40 | 9.751113022 | 19.8424128 | 10.86903183 | 434.1893955 | null | 16.70308791 | 0.496768219 | 16.70308791 | 0.245675543 | 2.004148769 | 0.245675543 | -6.883878203 | -0.496768219 | 2.3018 | 216.9908 | 808.034 | Circle | 7 | 7 | null | 4 | 15 | null | null | 0 | 4 | 4 | 1 | 0 | 1 | 8 | 4 | 15 | 0 | 16 | 0 | 4 | 4 | 320 | compd.112 | -7.29 | 2.205015344 | -1.814303855 | 40.67584556 | 47.87475911 | 5.647368313 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 53.19619012 | 92.68648608 | 90.28915609 | 26.22857225 | 144.5 | -7.29 | null | null | null | null | null | null | null | null | null | null | 5 | COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]3CCCN3C2=O)cc1 | 127.5622635 | 41.35025811 | 0.0 | 35.93898261 | 17.68187306 | 146.965849 | 26.52853151 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'dP', 'L', 'dP', 'dL', 'P', 'dL'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995] | [38.33, 20.31, 29.1, 20.31, 29.1, 20.31, 29.1] | 25.97611637 | 0.0 | 5.749511833 | 0.0 | 124.7037661 | 39.93468519 | 17.68187306 | 187.6474002 | 24.16967483 | 5.647368313 | 0.0 | 0 | 2006_Rezai_2 | 17 | null | 186.56 | null | 579.1352198 | 0.0 | 107.7219904 | -10.5170713 | -2.84889439 | -51.11016694 | -56.54844778 | -60.42273212 | -50.68112799 | -4.062103027 | 1.0 | 2006 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 3 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 3 | 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 | 0.292940333 | null |
2dde4b297adde26c2be6378fc266958eccf4d06bf8cb9b8e3474f92276d5dac6 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 17 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'dP', 'L', 'L', 'dL', 'L'] | 38 | 18 | -6.75 | -6.75 | Circle | 7 | -2.65e-16 | -2.716332709 | -2.33e-16 | -2.894700287 | -1.53e-16 | -1.135790752 | 2.75e-16 | -0.24928777 | 3.611477828 | 3907.527995 | 149.0 | null | null | 92.59941163 | 87.04101961 | 25.04101961 | 48.9635076 | 43.52594951 | 12.78988153 | 8.609972981 | 8.609972981 | 4.978637647 | 4.978637647 | 3.087432282 | 3.087432282 | null | null | null | null | 275.018302 | 23.50831307 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 61.68413503 | 726.4679983 | 0.730769231 | 1.134615385 | 1.538461538 | 0.692307692 | 146.0 | PEPTIDE18{[Tyr(Me)].[dP].L.L.[dL].L}$PEPTIDE18,PEPTIDE18,1:R1-6:R2$$$ | PEPTIDE18{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE18,PEPTIDE18,1:R1-6:R2$$$ | -4.16 | 52 | 664.464 | 18 | null | null | 4.3899999999999996e+35 | 8.391326645 | 19.61322449 | 12.50824557 | 396.4531072 | null | 16.48343483 | 0.496768219 | 16.48343483 | 0.245675543 | 1.95854285 | 0.245675543 | -6.966523322 | -0.496768219 | 2.8507 | 198.9065 | 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 | compd.114 | -6.75 | 2.077576599 | -1.481825677 | 36.18583945 | 41.85686664 | 7.059210392 | 35.44307838 | 0.0 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 73.18316106 | 24.85781369 | 120.5 | -6.75 | null | null | null | null | null | null | null | null | null | null | 3 | COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]3CCCN3C2=O)cc1 | 118.6965342 | 35.44307838 | 0.0 | 31.4489765 | 23.57583074 | 135.5329661 | 13.53481214 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'dP', 'L', 'L', 'dL', 'L'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 29.1, 29.1] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 89.98515506 | 35.14014801 | 23.57583074 | 176.7493755 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2006_Rezai_2 | 18 | null | 175.04 | null | 542.3054324 | 0.0 | 94.9692789 | -13.43986031 | -2.783475109 | -52.8543403 | -49.97067358 | -43.3800882 | -49.58221956 | -4.01405427 | 1.0 | 2006 | 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 | 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 | 0.233167164 | null |
d6730ca42584b796adf9915c014c103592a9ee0d1ad0a13014366768a5545352 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 18 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'dP', 'L', 'dL', 'P', 'L', 'L'] | 43 | 19 | -6.95 | -6.95 | Circle | 3 | -3.01e-16 | -2.705209056 | -1.99e-16 | -2.873729946 | -1.87e-16 | -1.135362845 | 5.94e-16 | -0.249287767 | 3.070896134 | 4540.928344 | 149.0 | null | null | 103.7541122 | 97.39648149 | 28.39648149 | 54.99021661 | 48.90089405 | 14.66482607 | 9.960945938 | 9.960945938 | 5.956518016 | 5.956518016 | 3.749618563 | 3.749618563 | null | null | null | null | 311.0859934 | 30.36210585 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 64.42565214 | 823.5207622 | 0.644067797 | 1.016949153 | 1.440677966 | 0.704545455 | 149.0 | PEPTIDE19{[Tyr(Me)].[dP].L.[dL].P.L.L}$PEPTIDE19,PEPTIDE19,1:R1-7:R2$$$ | PEPTIDE19{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>}$PEPTIDE19,PEPTIDE19,1:R1-7:R2$$$ | -4.69 | 59 | 754.525 | 19 | null | null | 4.81e+42 | 9.674347823 | 21.53143223 | 13.1500677 | 447.0281359 | null | 16.76997724 | 0.496768219 | 16.76997724 | 0.245675543 | 2.049177559 | 0.245675543 | -7.064538361 | -0.496768219 | 2.8417 | 223.6415 | 824.077 | Circle | 7 | 7 | null | 5 | 15 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 8 | 5 | 15 | 0 | 20 | 0 | 3 | 3 | 328 | compd.218 | -6.95 | 1.106486188 | -1.523103453 | 41.08574918 | 47.87475911 | 7.059210392 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 66.89997435 | 92.20751886 | 87.90457208 | 26.22857225 | 148.4 | -6.95 | null | null | null | null | null | null | null | null | null | null | 4 | COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]3CCCN3C2=O)cc1 | 133.0863812 | 41.35025811 | 0.0 | 36.34888623 | 23.57583074 | 154.2967083 | 20.03167183 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'dP', 'L', 'dL', 'P', 'L', 'L'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 20.31, 29.1, 29.1] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 113.3069967 | 39.93468519 | 23.57583074 | 199.0905352 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2006_Rezai_2 | 19 | null | 195.35 | null | 612.0723436 | 0.0 | 110.3581803 | -13.81175133 | -2.916044408 | -58.62225944 | -58.10528939 | -56.30090777 | -56.6541722 | -4.103432769 | 1.0 | 2006 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 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 | 0.224862488 | null |
216bbdd80a5950123e5df23804b8162b5fd6da6d1957d62cf9618e0c09486dce | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 19 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'dP', 'L', 'dP', 'dL', 'dL', 'L'] | 45 | 20 | -7.12 | -7.12 | Circle | 8 | -2.6e-16 | -2.710630719 | -2.48e-16 | -2.88252421 | -1.24e-16 | -1.135612473 | 5.15e-16 | -0.249287769 | 3.07455059 | 4540.928344 | 153.0 | null | null | 103.7541122 | 97.39648149 | 28.39648149 | 54.99021661 | 48.90089405 | 14.66482607 | 9.960945938 | 9.960945938 | 5.956518016 | 5.956518016 | 3.749618563 | 3.749618563 | null | null | null | null | 311.0859934 | 30.36210585 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 64.42565214 | 823.5207622 | 0.644067797 | 1.016949153 | 1.440677966 | 0.704545455 | 155.0 | PEPTIDE20{[Tyr(Me)].[dP].L.[dP].[dL].[dL].L}$PEPTIDE20,PEPTIDE20,1:R1-7:R2$$$ | PEPTIDE20{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>}$PEPTIDE20,PEPTIDE20,1:R1-7:R2$$$ | -4.69 | 59 | 754.525 | 20 | null | null | 7.95e+42 | 9.674347823 | 21.53143223 | 13.1500677 | 447.0281359 | null | 16.78129654 | 0.496768219 | 16.78129654 | 0.245675543 | 2.053258274 | 0.245675543 | -7.142451045 | -0.496768219 | 2.8417 | 223.6415 | 824.077 | Circle | 7 | 7 | null | 5 | 15 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 8 | 5 | 15 | 0 | 20 | 0 | 3 | 3 | 328 | compd.225 | -7.12 | 0.977260284 | -1.562523736 | 41.08574918 | 47.87475911 | 7.059210392 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 66.89997435 | 92.20751886 | 87.90457208 | 26.22857225 | 134.4 | -7.12 | null | null | null | null | null | null | null | null | null | null | 4 | COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]3CCCN3C2=O)cc1 | 133.0863812 | 41.35025811 | 0.0 | 36.34888623 | 23.57583074 | 154.2967083 | 20.03167183 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'dP', 'L', 'dP', 'dL', 'dL', 'L'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 20.31, 29.1, 29.1, 29.1] | 31.28592972 | 0.0 | 5.749511833 | 0.0 | 113.3069967 | 39.93468519 | 23.57583074 | 199.0905352 | 24.16967483 | 7.059210392 | 0.0 | 0 | 2006_Rezai_2 | 20 | null | 195.35 | null | 612.0873539 | 0.0 | 110.43181 | -13.88538098 | -2.922997839 | -58.66678701 | -58.12646929 | -56.24259658 | -56.65099689 | -4.107268573 | 1.0 | 2006 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 2 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 2 | 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 | 0.224862488 | null |
3fa14d0328b006ff581014bb3b6af27ce3ec6d87465753c2f061447487edf23f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 20 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Tyr(Me)', 'dP', 'L', 'L', 'dL', 'L', 'dL'] | 44 | 21 | -6.41 | -6.41 | Circle | 9 | -2.3e-16 | -2.717415601 | -2.53e-16 | -2.890060518 | -2.11e-16 | -1.135865468 | 1.58e-16 | -0.24928777 | 3.840577906 | 4632.249775 | 173.0 | null | null | 108.2541122 | 101.8964815 | 28.89648149 | 57.02889174 | 50.87450085 | 14.69121927 | 9.875535742 | 9.875535742 | 5.637964273 | 5.637964273 | 3.489569068 | 3.489569068 | null | null | null | null | 318.2238543 | 34.51546504 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 4.736862954 | 65.7964107 | 839.5520623 | 0.633333333 | 0.983333333 | 1.333333333 | 0.711111111 | 173.0 | PEPTIDE21{[Tyr(Me)].[dP].L.L.[dL].L.[dL]}$PEPTIDE21,PEPTIDE21,1:R1-7:R2$$$ | PEPTIDE21{<a href="/monomers/Tyr(Me)/">[Tyr(Me)]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>}$PEPTIDE21,PEPTIDE21,1:R1-7:R2$$$ | -4.69 | 60 | 766.536 | 21 | null | null | 1.19e+45 | 9.60744207 | 23.34582607 | 15.40505231 | 459.8668763 | null | 16.81647695 | 0.496768219 | 16.81647695 | 0.245675543 | 2.084118785 | 0.245675543 | -7.263211436 | -0.496768219 | 3.3816 | 230.2922 | 840.12 | Circle | 7 | 7 | null | 6 | 15 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 8 | 6 | 15 | 0 | 24 | 0 | 2 | 2 | 336 | compd.294 | -6.41 | -0.045945569 | -1.280769273 | 41.4956528 | 47.87475911 | 8.47105247 | 41.35025811 | 0.0 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 80.60375859 | 91.72855164 | 85.51998806 | 26.22857225 | 130.1 | -6.41 | null | null | null | null | null | null | null | null | null | null | 3 | COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]3CCCN3C2=O)cc1 | 138.610499 | 41.35025811 | 0.0 | 36.75878985 | 29.46978843 | 161.6275677 | 13.53481214 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Tyr(Me)', 'dP', 'L', 'L', 'dL', 'L', 'dL'] | [1.0245999999999995, 0.2794999999999998, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995, 0.8193999999999995] | [38.33, 20.31, 29.1, 29.1, 29.1, 29.1, 29.1] | 36.59574307 | 0.0 | 5.749511833 | 0.0 | 101.9102273 | 39.93468519 | 29.46978843 | 210.5336702 | 24.16967483 | 8.47105247 | 0.0 | 0 | 2006_Rezai_2 | 21 | null | 204.14 | null | 645.0450037 | 0.0 | 113.2543921 | -17.36645327 | -2.965153913 | -66.35579035 | -59.60862753 | -51.94390071 | -62.75608743 | -4.136715989 | 1.0 | 2006 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 1 | 6 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 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 | 0.173505253 | null |
58436f56b85e37d445cb1b68c91fa9ce31bce5b9699fe98bdfb07f81236d33ed | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 21 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | 78 | 22 | -5.96 | -5.96 | Circle | 4 | -3.72e-16 | -2.741631859 | -3.95e-16 | -2.890258212 | -2.31e-16 | -1.136047084 | 1.15e-16 | -0.249287767 | 8.516208569 | 6899.875158 | 174.0 | null | null | 161.0635132 | 151.818329 | 40.81832904 | 83.32454392 | 75.13118955 | 19.93408688 | 13.7037587 | 13.7037587 | 8.107632225 | 8.107632225 | 4.665881388 | 4.665881388 | null | null | null | null | 450.1857519 | 44.02860789 | 52.73990902 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 108.350367 | 1201.841368 | 0.564705882 | 1.082352941 | 1.588235294 | 0.790322581 | 172.0 | PEPTIDE22{[Abu].[Sar].[meL].V.[meL].A.[dA].[meL].[meL].[meV].[Me_Bmt(E)]}$PEPTIDE22,PEPTIDE22,1:R1-11:R2$$$ | PEPTIDE22{<a href="/monomers/Abu/">[Abu]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/dA/">[dA]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="... | -6.13 | 85 | 1090.747 | 22 | null | null | 4.96e+74 | 13.26598462 | 34.87150528 | 21.65558178 | 664.6651694 | null | 18.025327 | 0.390126486 | 18.025327 | 0.245643649 | 3.146713736 | 0.245643649 | -8.388333089 | -0.390126486 | 3.269 | 328.4446 | 1202.635 | Circle | 11 | 11 | null | 5 | 23 | null | null | 0 | 1 | 1 | 0 | 0 | 0 | 12 | 5 | 23 | 0 | 40 | 0 | 1 | 1 | 486 | Cyclosporine A | null | -6.620415814 | -0.186784244 | 60.64742972 | 60.17892468 | 5.647368313 | 66.41017668 | 0.0 | 0.0 | 52.73990902 | 0.0 | 0.0 | 0.0 | 108.0306331 | 100.0509296 | 173.5698169 | 33.13825605 | null | -5.96 | null | null | null | null | null | -5.96 | null | null | null | null | 1 | C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C | 208.7964925 | 64.97897702 | 1.431199657 | 55.53862153 | 41.2577038 | 220.9786581 | 55.32764799 | 12.10414349 | 0 | 0.0 | [['PAMPA'], ['PAMPA'], ['RRCK'], ['PAMPA'], ['RRCK'], ['PAMPA', 'RRCK'], ['PAMPA', 'Caco2'], ['PAMPA']] | [1, 932, 981, 1822, 1862, 2356, 7188, 7353] | [['-6.60'], ['-5.01'], ['-5.96'], ['-6.20'], ['-5.25'], ['-6.15', '-5.87'], ['-5.71', '-5.58'], ['-5.72']] | ['2006_Rezai_1', '2015_Ahlbach', '2015_Bockus_1', '2016_Hickey', '2017_Price', '2018_Naylor', '2021_Lee', '2022_Lee'] | ['Abu', 'Sar', 'meL', 'V', 'meL', 'A', 'dA', 'meL', 'meL', 'meV', 'Me_Bmt(E)'] | [0.1833, -0.2531000000000001, 1.1616, 0.4292999999999995, 1.1616, -0.2068000000000003, -0.2068000000000003, 1.1616, 1.1616, 0.7715000000000001, 1.7328] | [29.1, 20.31, 20.31, 29.1, 20.31, 29.1, 29.1, 20.31, 20.31, 20.31, 29.54] | 21.23925341 | 0.0 | 0.0 | 0.0 | 227.4049437 | 52.73990902 | 41.2577038 | 300.0201224 | 12.10414349 | 5.647368313 | 0.0 | 0 | 2011_White | 1 | null | 278.8 | null | 992.9384945 | 0.0 | 165.6557411 | -9.339386785 | 0.0 | -108.5974979 | -85.82308579 | -51.24993928 | -163.1676591 | 0.0 | 1.0 | 2011 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 11 | 11 | 0 | 0 | 0 | 7 | 4 | 0 | 0 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.147924715 | null |
101b8ece99bc00b2689b639461a2a41e0962a2c09cd072914832e184ddeed57b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 22 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dL', 'L', 'L', 'dP', 'Y'] | 32 | 23 | -5.74 | -5.74 | Circle | 4 | -1.99e-16 | -2.716753673 | -1.71e-16 | -2.89458429 | -1.1e-16 | -1.135790365 | 5.29e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 173.0 | null | null | 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 | 177.0 | PEPTIDE23{L.[dL].L.L.[dP].Y}$PEPTIDE23,PEPTIDE23,1:R1-6:R2$$$ | PEPTIDE23{<a href="/monomers/L/">L</a>.<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE23,PEPTIDE23,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 23 | 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 | null | 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 | -5.74 | null | null | null | null | null | -5.74 | 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'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA', 'RRCK'], ['PAMPA'], ['PAMPA', 'Caco2']] | [10, 1017, 1049, 2346, 2456, 7452] | [['-8.10'], ['-6.55', '-5.70'], ['-5.91', '-5.91'], ['-5.64', '-5.87'], ['-6.52'], ['-5.60', '-5.18']] | ['2006_Rezai_1', '2015_Lewis', '2015_Wang', '2018_Naylor', '2020_Hosono', '2023_Ghosh'] | ['L', 'dL', 'L', 'L', '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 | 2011_White | 10 | 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 | 2011 | 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 |
cd87a07c355965286e68d6a79227112e2c8217b94cc4facc13081556ff10000b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 23 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['dL', 'L', 'L', 'L', 'dP', 'Y'] | 32 | 24 | -6.3 | -6.3 | Circle | 4 | -2.06e-16 | -2.716753673 | -1.33e-16 | -2.89458429 | -2.12e-16 | -1.135790365 | 4.33e-16 | -0.24928777 | 3.600346506 | 3800.979834 | 171.0 | null | null | 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 | 173.0 | PEPTIDE24{[dL].L.L.L.[dP].Y}$PEPTIDE24,PEPTIDE24,1:R1-6:R2$$$ | PEPTIDE24{<a href="/monomers/dL/">[dL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/Y/">Y</a>}$PEPTIDE24,PEPTIDE24,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 24 | 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.2 | null | 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 | -6.3 | null | null | null | null | null | -6.3 | 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', '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 | 2011_White | 24 | 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 | 2011 | 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 |
df0c4fb1c348e9192afdbb0cc4d9782e51bd4df33beec6e7c99de2855827dbd9 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 24 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | 39 | 25 | -5.31 | -5.31 | 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 | 110.0 | null | null | 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 | 109.0 | PEPTIDE25{L.[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE25,PEPTIDE25,1:R1-6:R2$$$ | PEPTIDE25{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE25,PEPTIDE25,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 25 | 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.3 | null | 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 | -5.31 | null | null | null | null | null | -5.31 | 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 | [['Caco2', 'RRCK'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'RRCK']] | [32, 980, 999, 1018, 1027, 1030, 1056, 1827, 2328] | [['-5.31', '-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40'], ['-5.52', '-4.88']] | ['2012_Rand', '2015_Bockus_1', '2015_Hewitt', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2015_Wang', '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 | 2011_White | 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 | 2011 | 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 |
7a7e6d9c2ee0ce68fa748d376daee03f09b50bd76293ad7533ca54129dae99e4 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 25 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['Me_dL', 'meL', 'L', 'meL', 'dP', 'meY'] | 41 | 26 | -5.39 | -5.39 | Circle | 8 | -2.58e-16 | -2.737372881 | -2.44e-16 | -2.872818749 | -2.2e-16 | -1.136302888 | 1.38e-16 | -0.24928777 | 3.972890541 | 4229.526449 | 105.0 | null | null | 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 | 28.8270132 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 64.48609324 | 768.5149485 | 0.745454545 | 1.236363636 | 1.8 | 0.714285714 | 104.0 | PEPTIDE26{[Me_dL].[meL].L.[meL].[dP].[meY]}$PEPTIDE26,PEPTIDE26,1:R1-6:R2$$$ | PEPTIDE26{<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE26,PEPTIDE26,1:R1-6:R2$$$ | -4.16 | 55 | 700.497 | 26 | null | null | 1.41e+40 | 8.648487777 | 19.62111529 | 11.44329861 | 424.3527747 | null | 17.18826757 | 0.507966645 | 17.18826757 | 0.29309207 | 1.914075191 | 0.29309207 | -7.51299382 | -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.4 | null | 2.05943003 | -0.870888753 | 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 | -5.39 | null | null | null | null | null | -5.39 | 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)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)N(C)C1=O | 125.7579381 | 35.44307838 | 1.431199657 | 29.80936201 | 23.57583074 | 135.5329661 | 34.40016729 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['Me_dL', 'meL', 'L', 'meL', 'dP', 'meY'] | [1.1616, 1.1616, 0.8193999999999995, 1.1616, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 29.1, 20.31, 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 | 2011_White | 26 | null | 150.88 | null | 602.8316642 | 0.0 | 87.8448885 | 0.904942472 | -2.975363166 | -56.52908705 | -53.38263884 | -46.07787478 | -77.61653131 | 0.0 | 1.0 | 2011 | 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 |
b2630136152f8c13d1489966993e525fd3eb0d9956e2cfaa8c66655f4e51bdf1 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 26 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['meL', 'Me_dL', 'meL', 'meL', 'dP', 'meY'] | 43 | 27 | -5.46 | -5.46 | Circle | 3 | -3.07e-16 | -2.74533925 | -2.28e-16 | -2.865312368 | -9.69e-17 | -1.13654423 | 2.95e-16 | -0.24928777 | 4.066452195 | 4337.615893 | 104.0 | null | null | 102.5994116 | 97.04101961 | 27.04101961 | 53.87368532 | 48.61203967 | 13.70379138 | 9.625944897 | 9.625944897 | 5.943318798 | 5.943318798 | 3.680018609 | 3.680018609 | null | null | null | null | 300.8099659 | 28.78592968 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 67.22761035 | 782.5305986 | 0.642857143 | 1.017857143 | 1.392857143 | 0.720930233 | 104.0 | PEPTIDE27{[meL].[Me_dL].[meL].[meL].[dP].[meY]}$PEPTIDE27,PEPTIDE27,1:R1-6:R2$$$ | PEPTIDE27{<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE27,PEPTIDE27,1:R1-6:R2$$$ | -4.16 | 56 | 712.508 | 27 | null | null | 6.9299999999999994e+41 | 8.736836128 | 19.8116457 | 11.02554295 | 433.6795727 | null | 17.3168197 | 0.507966645 | 17.3168197 | 0.29309207 | 1.936471024 | 0.29309207 | -7.72861882 | -0.507966645 | 4.2587 | 217.1558 | 783.068 | Circle | 6 | 6 | null | 1 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 1 | 13 | 0 | 24 | 0 | 2 | 2 | 314 | compound.5 | null | 1.636964227 | -0.65406463 | 34.50826658 | 41.85686664 | 0.0 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 66.89997435 | 79.46166906 | 128.6236739 | 13.70758556 | null | -5.46 | null | null | null | null | null | -5.46 | null | null | null | null | 3 | CC(C)C[C@H]1C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N1C | 128.4583717 | 35.44307838 | 1.431199657 | 29.39945839 | 23.57583074 | 135.5329661 | 41.37599419 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['meL', 'Me_dL', 'meL', 'meL', 'dP', 'meY'] | [1.1616, 1.1616, 1.1616, 1.1616, 0.2794999999999998, 1.0637999999999996] | [20.31, 20.31, 20.31, 20.31, 20.31, 40.540000000000006] | 0.0 | 0.0 | 5.749511833 | 0.0 | 148.8658936 | 35.14014801 | 23.57583074 | 193.1984782 | 24.16967483 | 0.0 | 0.0 | 0 | 2011_White | 27 | null | 142.09 | null | 623.7910935 | 0.0 | 85.64413867 | 3.959462102 | -3.008493096 | -57.63834791 | -54.33936259 | -46.79362923 | -85.36486141 | 0.0 | 1.0 | 2011 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 6 | 0 | 0 | 0 | 5 | 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 | 0.374214335 | null |
7035b3d073b39fdcf72ee51c261d6f05b9812efd948b5e7c33e405eff58e3ebb | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 28 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['S', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | 39 | 29 | -5.72 | -5.72 | Circle | 9 | -2.31e-16 | -2.730851261 | -1.98e-16 | -2.880143986 | -4.77e-17 | -1.136161146 | 9.6e-16 | -0.249287768 | 3.729828197 | 3830.12674 | 136.0 | null | null | 90.80651841 | 84.9492679 | 24.9492679 | 48.26169576 | 42.4216257 | 12.71070193 | 8.780793374 | 8.780793374 | 5.369894392 | 5.369894392 | 3.289229627 | 3.289229627 | null | null | null | null | 268.2664378 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 60.43425867 | 728.4472629 | 0.826923077 | 1.403846154 | 2.019230769 | 0.684210526 | 134.0 | PEPTIDE29{S.[Me_dL].[meL].L.[dP].[meY]}$PEPTIDE29,PEPTIDE29,1:R1-6:R2$$$ | PEPTIDE29{<a href="/monomers/S/">S</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE29,PEPTIDE29,1:R1-6:R2$$$ | -4.2 | 52 | 668.452 | 29 | null | null | 3.1999999999999996e+33 | 8.683902177 | 18.52311617 | 10.44758298 | 392.3822314 | null | 16.7105346 | 0.507966645 | 16.7105346 | 0.29309207 | 1.763494412 | 0.29309207 | -7.23904524 | -0.507966645 | 1.5205 | 195.532 | 728.932 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 8 | 4 | 14 | 0 | 20 | 0 | 2 | 2 | 290 | compound.3L1S | null | 2.466683078 | -0.328400882 | 40.43688201 | 41.85686664 | 2.823684157 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 67.19478647 | 94.11064176 | 23.00808792 | null | -5.72 | null | null | null | null | null | -5.72 | 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](CO)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H]2CCCN2C1=O | 118.5710028 | 35.44307838 | 2.862399314 | 30.21926563 | 17.68187306 | 115.4562569 | 33.98332563 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['S', 'Me_dL', 'meL', 'L', 'dP', 'meY'] | [-1.2344000000000002, 1.1616, 1.1616, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [49.33, 20.31, 20.31, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 138.2134134 | 35.14014801 | 17.68187306 | 155.3019078 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2011_White | 29 | null | 179.9 | null | 524.6749248 | 0.0 | 88.32031767 | 2.178082643 | -2.715569737 | -47.6093829 | -50.1083985 | -37.58924052 | -63.65073344 | 0.0 | 1.0 | 2011 | null | null | null | null | null | null | 0 | 1 | 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 | 0.2956717 | null |
7e4069bbae31cccba7e2119e597f2db53ba52f09ed5472eff5586ca8b76aeb23 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 29 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meS', 'L', 'dP', 'meY'] | 39 | 30 | -5.8 | -5.8 | Circle | 9 | -2.02e-16 | -2.724290328 | -1.39e-16 | -2.879655106 | -2.64e-17 | -1.135773915 | 7.88e-16 | -0.249287767 | 3.736857411 | 3830.12674 | 149.0 | null | null | 90.80651841 | 84.9492679 | 24.9492679 | 48.26169576 | 42.4216257 | 12.71070193 | 8.780793374 | 8.780793374 | 5.369894392 | 5.369894392 | 3.28410055 | 3.28410055 | null | null | null | null | 268.2664378 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 60.43425867 | 728.4472629 | 0.826923077 | 1.384615385 | 1.961538462 | 0.684210526 | 150.0 | PEPTIDE30{L.[Me_dL].[meS].L.[dP].[meY]}$PEPTIDE30,PEPTIDE30,1:R1-6:R2$$$ | PEPTIDE30{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meS/">[meS]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE30,PEPTIDE30,1:R1-6:R2$$$ | -4.2 | 52 | 668.452 | 30 | null | null | 6.659999999999999e+33 | 8.683902177 | 18.52311617 | 10.44758298 | 392.3822314 | null | 16.67111493 | 0.507966645 | 16.67111493 | 0.29309207 | 1.812411351 | 0.29309207 | -7.214880513 | -0.507966645 | 1.5205 | 195.532 | 728.932 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 8 | 4 | 14 | 0 | 20 | 0 | 2 | 2 | 290 | compound.3L3S | null | 2.471176594 | -0.334491507 | 40.43688201 | 41.85686664 | 2.823684157 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 67.19478647 | 94.11064176 | 23.00808792 | null | -5.8 | null | null | null | null | null | -5.8 | 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](CO)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 118.5710028 | 35.44307838 | 2.862399314 | 30.21926563 | 17.68187306 | 115.4562569 | 33.98332563 | 29.73312632 | 0 | 5.749511833 | [['Caco2', 'RRCK']] | [33] | [['-5.48', '-5.81']] | ['2012_Rand'] | ['L', 'Me_dL', 'meS', 'L', 'dP', 'meY'] | [0.8193999999999995, 1.1616, -0.8922000000000003, 0.8193999999999995, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 138.2134134 | 35.14014801 | 17.68187306 | 155.3019078 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2011_White | 30 | null | 179.9 | null | 524.5507247 | 0.0 | 88.37140626 | 2.093825509 | -2.807183717 | -47.46948432 | -50.37374892 | -37.4644677 | -63.40107179 | 0.0 | 1.0 | 2011 | null | null | null | null | null | null | 0 | 1 | 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 | 0.2956717 | null |
d2f16d84db5f5265533adc21b72bb51ba9c53387b774a83205aa6ed903014a1c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 30 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'Me_dL', 'meL', 'S', 'dP', 'meY'] | 39 | 31 | -6.12 | -6.12 | Circle | 9 | -2.32e-16 | -2.733252707 | -2.31e-16 | -2.879117716 | -4.32e-17 | -1.136219945 | 1.09e-15 | -0.249287768 | 3.746855319 | 3830.12674 | 147.0 | null | null | 90.80651841 | 84.9492679 | 24.9492679 | 48.26169576 | 42.4216257 | 12.71070193 | 8.780793374 | 8.780793374 | 5.369894392 | 5.369894392 | 3.289229627 | 3.289229627 | null | null | null | null | 268.2664378 | 20.60246186 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 61.84610075 | 728.4472629 | 0.826923077 | 1.403846154 | 2.019230769 | 0.684210526 | 138.0 | PEPTIDE31{L.[Me_dL].[meL].S.[dP].[meY]}$PEPTIDE31,PEPTIDE31,1:R1-6:R2$$$ | PEPTIDE31{<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/S/">S</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE31,PEPTIDE31,1:R1-6:R2$$$ | -4.2 | 52 | 668.452 | 31 | null | null | 3.5500000000000002e+34 | 8.683902177 | 18.52311617 | 10.44758298 | 392.3822314 | null | 16.76816943 | 0.507966645 | 16.76816943 | 0.29309207 | 1.794513825 | 0.29309207 | -7.345770377 | -0.507966645 | 1.5205 | 195.532 | 728.932 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 8 | 4 | 14 | 0 | 20 | 0 | 2 | 2 | 290 | compound.3L4S | null | 2.399559558 | -0.344588006 | 40.43688201 | 41.85686664 | 2.823684157 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 67.19478647 | 94.11064176 | 23.00808792 | null | -6.12 | null | null | null | null | null | -6.12 | 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](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 118.5710028 | 35.44307838 | 2.862399314 | 30.21926563 | 17.68187306 | 115.4562569 | 33.98332563 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'Me_dL', 'meL', 'S', 'dP', 'meY'] | [0.8193999999999995, 1.1616, 1.1616, -1.2344000000000002, 0.2794999999999998, 1.0637999999999996] | [29.1, 20.31, 20.31, 49.33, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 138.2134134 | 35.14014801 | 17.68187306 | 155.3019078 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2011_White | 31 | null | 179.9 | null | 524.9954217 | 0.0 | 88.32031767 | 2.170142594 | -2.776164305 | -47.70558043 | -50.28014161 | -37.55831308 | -63.66568251 | 0.0 | 1.0 | 2011 | null | null | null | null | null | null | 0 | 1 | 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 | 0.2956717 | null |
5b97ba0acb87b17f56cabb9f003bb16f5139a2e5b9eed822a47e40eb5b7df71c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 31 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meL'] | 39 | 32 | -5.31 | -5.31 | Circle | 2 | -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 | -5.31 | 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 | 112.0 | PEPTIDE32{L.[dP].[meY].L.[Me_dL].[meL]}$PEPTIDE32,PEPTIDE32,1:R1-6:R2$$$ | PEPTIDE32{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meL/">[meL]</a>}$PEPTIDE32,PEPTIDE32,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 32 | 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 | Cpd.1 | null | 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 | -5.31 | null | null | null | null | null | -5.31 | null | null | null | 53.7 | 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'], ['PAMPA', 'RRCK'], ['Caco2'], ['PAMPA', 'MDCK'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'Caco2'], ['PAMPA'], ['PAMPA', 'RRCK']] | [25, 980, 999, 1018, 1027, 1030, 1056, 1827, 2328] | [['-5.31'], ['-5.52', '-5.31'], ['-4.75'], ['-4.50', '-4.96'], ['-4.40', '-4.70'], ['-6.00'], ['-6.24', '-4.80'], ['-6.40'], ['-5.52', '-4.88']] | ['2011_White', '2015_Bockus_1', '2015_Hewitt', '2015_Lewis', '2015_Marelli', '2015_Nielsen', '2015_Wang', '2016_Hickey', '2018_Naylor'] | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meL'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 1.1616] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 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 | 2012 | 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 |
dd113eac7aa3e568eb9cc15dda0e6b1470f6a56b912ac41dcf24816247894743 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 32 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meS'] | 39 | 33 | -5.81 | -5.81 | Circle | 7 | -2.02e-16 | -2.724290328 | -1.39e-16 | -2.879655106 | -2.64e-17 | -1.135773915 | 7.88e-16 | -0.249287767 | 3.736857411 | 3830.12674 | 147.0 | null | -5.48 | 90.80651841 | 84.9492679 | 24.9492679 | 48.26169576 | 42.4216257 | 12.71070193 | 8.780793374 | 8.780793374 | 5.369894392 | 5.369894392 | 3.28410055 | 3.28410055 | null | null | null | null | 268.2664378 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 60.43425867 | 728.4472629 | 0.826923077 | 1.384615385 | 1.961538462 | 0.684210526 | 146.0 | PEPTIDE33{L.[dP].[meY].L.[Me_dL].[meS]}$PEPTIDE33,PEPTIDE33,1:R1-6:R2$$$ | PEPTIDE33{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meS/">[meS]</a>}$PEPTIDE33,PEPTIDE33,1:R1-6:R2$$$ | -4.2 | 52 | 668.452 | 33 | null | null | 6.659999999999999e+33 | 8.683902177 | 18.52311617 | 10.44758298 | 392.3822314 | null | 16.67111493 | 0.507966645 | 16.67111493 | 0.29309207 | 1.812411351 | 0.29309207 | -7.214880513 | -0.507966645 | 1.5205 | 195.532 | 728.932 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 8 | 4 | 14 | 0 | 20 | 0 | 2 | 2 | 290 | Cpd.2 | null | 2.471176594 | -0.334491507 | 40.43688201 | 41.85686664 | 2.823684157 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 67.19478647 | 94.11064176 | 23.00808792 | null | -5.81 | null | null | null | null | null | -5.81 | null | null | null | 84.3 | 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](CO)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 118.5710028 | 35.44307838 | 2.862399314 | 30.21926563 | 17.68187306 | 115.4562569 | 33.98332563 | 29.73312632 | 0 | 5.749511833 | [['RRCK']] | [30] | [['-5.80']] | ['2011_White'] | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meS'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, -0.8922000000000003] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 138.2134134 | 35.14014801 | 17.68187306 | 155.3019078 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 30 | null | 179.9 | null | 524.5507247 | 0.0 | 88.37140626 | 2.093825509 | -2.807183717 | -47.46948432 | -50.37374892 | -37.4644677 | -63.40107179 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 1 | 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 | 0.2956717 | null |
e9842b08195ec9033524779e469a3b64d6b5ddb38eb8ec31d0e438dd5810d250 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 33 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meT'] | 39 | 34 | -5.33 | -5.33 | Circle | 8 | -2.17e-16 | -2.726963671 | -1.93e-16 | -2.885141617 | -4.05e-17 | -1.135775036 | 7.97e-16 | -0.249287767 | 3.801902988 | 3940.782947 | 131.0 | null | null | 93.30651841 | 87.4492679 | 25.4492679 | 49.51169576 | 43.6716257 | 12.96070193 | 9.007855447 | 9.007855447 | 5.488296091 | 5.488296091 | 3.393468618 | 3.393468618 | null | null | null | null | 274.6393627 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 63.17577579 | 742.4629129 | 0.830188679 | 1.433962264 | 2.018867925 | 0.692307692 | 127.0 | PEPTIDE34{L.[dP].[meY].L.[Me_dL].[meT]}$PEPTIDE34,PEPTIDE34,1:R1-6:R2$$$ | PEPTIDE34{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meT/">[meT]</a>}$PEPTIDE34,PEPTIDE34,1:R1-6:R2$$$ | -4.2 | 53 | 680.463 | 34 | null | null | 1.77e+36 | 8.763092903 | 18.7118362 | 10.92516072 | 401.5571145 | null | 16.77741123 | 0.507966645 | 16.77741123 | 0.29309207 | 1.83029977 | 0.29309207 | -7.340305683 | -0.507966645 | 1.909 | 200.127 | 742.959 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 8 | 4 | 14 | 0 | 21 | 0 | 2 | 2 | 296 | Cpd.3 | null | 2.179377855 | -0.424740742 | 40.43688201 | 41.85686664 | 2.823684157 | 36.87427803 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 74.04667859 | 98.22291743 | 21.15836214 | null | -5.33 | null | null | null | null | null | -5.33 | null | null | null | 64.2 | 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]([C@@H](C)O)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 121.3125199 | 35.44307838 | 2.862399314 | 30.21926563 | 17.68187306 | 128.3881671 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meT'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, -0.5037] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 40.54] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 137.7344462 | 35.14014801 | 17.68187306 | 164.8953171 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 34 | null | 179.9 | null | 543.8765373 | 0.0 | 89.0141107 | 2.091470711 | -2.832495509 | -48.21667883 | -51.16869033 | -44.22484669 | -63.78940737 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 1 | 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 | 0.296424734 | null |
a9288fa10a4d99baa300fc3380544d300e59cb255fc7facfe561b965d4263ece | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 34 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meI'] | 39 | 35 | -5.49 | -5.49 | Circle | 6 | -2.2e-16 | -2.740985206 | -2.16e-16 | -2.881260457 | -1.23e-16 | -1.135822616 | 2.1e-16 | -0.249287767 | 3.900394288 | 4137.809889 | 122.0 | null | null | 97.59941163 | 92.04101961 | 26.04101961 | 51.45103559 | 46.05925326 | 13.25657778 | 9.178731301 | 9.178731301 | 5.635023208 | 5.635023208 | 3.472738882 | 3.472738882 | null | null | null | null | 287.6781193 | 23.3850625 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 67.22761035 | 754.4992985 | 0.833333333 | 1.444444444 | 2.037037037 | 0.707317073 | 125.0 | PEPTIDE35{L.[dP].[meY].L.[Me_dL].[meI]}$PEPTIDE35,PEPTIDE35,1:R1-6:R2$$$ | PEPTIDE35{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meI/">[meI]</a>}$PEPTIDE35,PEPTIDE35,1:R1-6:R2$$$ | -4.16 | 54 | 688.486 | 35 | null | null | 7.08e+38 | 8.561382025 | 19.43396197 | 10.96458139 | 415.0259768 | null | 17.0640012 | 0.507966645 | 17.0640012 | 0.29309207 | 1.859217191 | 0.29309207 | -7.530117545 | -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 | Cpd.4 | null | 2.268960155 | -1.03695678 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 73.27289926 | 73.08874416 | 106.4474688 | 13.70758556 | null | -5.49 | null | null | null | null | null | -5.49 | null | null | null | 39.7 | 3 | CC[C@H](C)[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[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 | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meI'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 1.1616] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 184.9739269 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 35 | null | 159.67 | null | 582.9562158 | 0.0 | 89.8693333 | -1.838897063 | -2.87304138 | -56.2891894 | -52.38837164 | -44.75533726 | -70.93071237 | 0.0 | 1.0 | 2012 | 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 |
54802b692d2daa0f624835a75d605bf481ed4bb70328c1e7166c1d2c83f5087f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 35 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meA'] | 39 | 36 | -5.26 | -5.26 | Circle | 4 | -2.34e-16 | -2.724613892 | -1.49e-16 | -2.872098063 | -9.5e-17 | -1.135778192 | 5.74e-16 | -0.249287767 | 3.716350761 | 3801.960284 | 108.0 | null | null | 90.09941163 | 84.54101961 | 24.54101961 | 47.70103559 | 42.30925326 | 12.50657778 | 8.678731301 | 8.678731301 | 5.273219809 | 5.273219809 | 3.194801897 | 3.194801897 | null | null | null | null | 268.5593446 | 22.01430394 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 60.37381757 | 712.4523483 | 0.843137255 | 1.431372549 | 2.019607843 | 0.684210526 | 110.0 | PEPTIDE36{L.[dP].[meY].L.[Me_dL].[meA]}$PEPTIDE36,PEPTIDE36,1:R1-6:R2$$$ | PEPTIDE36{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meA/">[meA]</a>}$PEPTIDE36,PEPTIDE36,1:R1-6:R2$$$ | -4.16 | 51 | 652.453 | 36 | null | null | 4.0900000000000003e+34 | 8.308622705 | 17.85842563 | 10.44532482 | 387.5013274 | null | 16.63259641 | 0.507966645 | 16.63259641 | 0.29309207 | 1.807313596 | 0.29309207 | -7.180016567 | -0.507966645 | 2.5481 | 194.1202 | 712.933 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 19 | 0 | 2 | 2 | 284 | Cpd.5 | null | 3.426665978 | -1.110082476 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 74.04667859 | 98.22291743 | 13.70758556 | null | -5.26 | null | null | null | null | null | -5.26 | null | null | null | 47.1 | 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](C)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 114.8329532 | 35.44307838 | 1.431199657 | 30.21926563 | 17.68187306 | 122.308149 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['PAMPA', 'RRCK']] | [2326] | [['-5.03', '-5.19']] | ['2018_Naylor'] | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meA'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 0.1353999999999999] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 17.68187306 | 163.5245585 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 36 | null | 159.67 | null | 524.0940749 | 0.0 | 88.10273269 | -1.451476877 | -2.800021964 | -47.27036256 | -50.16251942 | -37.35027257 | -63.16215421 | 0.0 | 1.0 | 2012 | 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 | 0.373767819 | null |
cd1af86d8017154b31a57021c666ed224e4688d6c88ce033b89d5238d94b082b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 36 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meY'] | 39 | 37 | -5.89 | -5.89 | Circle | 2 | -2.19e-16 | -2.725288373 | -1.18e-16 | -2.875466587 | 4.21e-17 | -1.135770192 | 1.32e-15 | -0.249287767 | 3.172134112 | 4430.286058 | 149.0 | null | null | 98.27062002 | 91.9492679 | 27.9492679 | 52.91446687 | 46.1716257 | 14.46070193 | 10.00785545 | 10.00785545 | 6.118683581 | 6.118683581 | 3.7861027 | 3.7861027 | null | null | null | null | 303.5630156 | 27.49733817 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 60.43425867 | 804.478563 | 0.706896552 | 1.155172414 | 1.620689655 | 0.590909091 | 151.0 | PEPTIDE37{L.[dP].[meY].L.[Me_dL].[meY]}$PEPTIDE37,PEPTIDE37,1:R1-6:R2$$$ | PEPTIDE37{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meY/">[meY]</a>}$PEPTIDE37,PEPTIDE37,1:R1-6:R2$$$ | -5.14 | 58 | 740.518 | 37 | null | null | 6.57e+39 | 9.895634293 | 20.01897068 | 11.49902975 | 433.0592076 | null | 17.14669089 | 0.507966645 | 17.14669089 | 0.29309207 | 1.841957729 | 0.29309207 | -7.385867472 | -0.507966645 | 3.4765 | 220.257 | 805.03 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 8 | 4 | 14 | 0 | 21 | 0 | 2 | 2 | 318 | Cpd.6 | null | 2.020150332 | 0.614043843 | 40.43688201 | 47.60637848 | 2.823684157 | 35.44307838 | 2.862399314 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 65.28102753 | 84.84307538 | 103.2250838 | 19.19061979 | null | -5.89 | null | null | null | null | null | -5.89 | null | null | null | 72.6 | 4 | 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](Cc2ccc(O)cc2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 124.054037 | 35.44307838 | 2.862399314 | 30.21926563 | 17.68187306 | 121.8291818 | 27.42434039 | 59.46625264 | 0 | 11.49902367 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meY'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 1.0637999999999996] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 40.540000000000006] | 10.61962671 | 0.0 | 11.49902367 | 0.0 | 131.6544282 | 41.51307291 | 17.68187306 | 166.3483936 | 48.33934966 | 2.823684157 | 0.0 | 0 | 2012_Rand | 37 | null | 179.9 | null | 570.0708857 | 0.0 | 90.75669923 | 2.393632159 | -5.769081422 | -50.2769808 | -60.93772943 | -44.32658705 | -58.41083843 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 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 | 2 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.282071745 | null |
79d4152f01b809f4ce6499e250771ecbd468214ef5f125db0bb3040467f0089a | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 37 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meF'] | 39 | 38 | -5.24 | -5.24 | Circle | 9 | -1.9e-16 | -2.725300562 | -1.5e-16 | -2.875470907 | -2.62e-17 | -1.135770193 | 1.04e-15 | -0.249287767 | 3.166188156 | 4407.133439 | 134.0 | null | null | 97.56351324 | 91.54101961 | 27.54101961 | 52.37646207 | 46.05925326 | 14.25657778 | 9.803731301 | 9.803731301 | 6.016621508 | 6.016621508 | 3.735071664 | 3.735071664 | null | null | null | null | 303.8559225 | 27.49733817 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 60.37381757 | 788.4836484 | 0.736842105 | 1.245614035 | 1.789473684 | 0.590909091 | 131.0 | PEPTIDE38{L.[dP].[meY].L.[Me_dL].[meF]}$PEPTIDE38,PEPTIDE38,1:R1-6:R2$$$ | PEPTIDE38{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meF/">[meF]</a>}$PEPTIDE38,PEPTIDE38,1:R1-6:R2$$$ | -4.94 | 57 | 724.519 | 38 | null | null | 1.36e+39 | 9.57489518 | 19.96325386 | 11.57059312 | 428.1783036 | null | 17.11516196 | 0.507966645 | 17.11516196 | 0.29309207 | 1.838472037 | 0.29309207 | -7.369875736 | -0.507966645 | 3.7709 | 218.5922 | 789.031 | Circle | 6 | 6 | null | 3 | 13 | null | null | 0 | 2 | 2 | 2 | 0 | 2 | 7 | 3 | 13 | 0 | 20 | 0 | 2 | 2 | 312 | Cpd.7 | null | 2.557118151 | 0.476675462 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 83.40828366 | 72.75823796 | 103.2250838 | 20.56137834 | null | -5.24 | null | null | null | null | null | -5.24 | null | null | null | 59.8 | 4 | 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](Cc2ccccc2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 120.3159874 | 35.44307838 | 1.431199657 | 30.21926563 | 17.68187306 | 121.8291818 | 27.42434039 | 65.50867135 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meF'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 1.3581999999999996] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 41.51307291 | 17.68187306 | 167.7191521 | 54.38176837 | 2.823684157 | 0.0 | 0 | 2012_Rand | 38 | null | 159.67 | null | 570.0347239 | 0.0 | 90.65248509 | -1.564710995 | -5.731884849 | -48.29663594 | -62.55551816 | -44.23100858 | -58.30745049 | 0.0 | 1.0 | 2012 | 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 | 0.330803581 | null |
8da52a4e82486cdc8b6ddcb9cd45464ea5544266f72daaedd6cb0ef8f35b0367 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 38 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meW'] | 39 | 39 | -6.66 | -6.66 | Circle | 8 | -1.5e-16 | -2.725052187 | -9.66e-17 | -2.875352851 | 7.83e-17 | -1.135770168 | 1.48e-15 | -0.249287767 | 2.71900369 | 4815.826682 | 131.0 | null | null | 100.295564 | 93.9882332 | 28.9882332 | 54.28714567 | 47.45368045 | 15.20379138 | 10.6259449 | 10.6259449 | 6.713835104 | 6.713835104 | 4.25138356 | 4.25138356 | null | null | null | null | 319.8663272 | 31.60961384 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 57.67338398 | 827.4945474 | 0.783333333 | 1.366666667 | 2.0 | 0.565217391 | 130.0 | PEPTIDE39{L.[dP].[meY].L.[Me_dL].[meW]}$PEPTIDE39,PEPTIDE39,1:R1-6:R2$$$ | PEPTIDE39{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meW/">[meW]</a>}$PEPTIDE39,PEPTIDE39,1:R1-6:R2$$$ | -5.4 | 60 | 762.548 | 39 | null | null | 5.99e+41 | 10.2679863 | 19.77427156 | 10.66389627 | 445.5321557 | null | 17.31774284 | 0.507966645 | 17.31774284 | 0.29309207 | 0.819094254 | 0.29309207 | -7.400803171 | -0.507966645 | 4.2522 | 230.4489 | 828.068 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 2 | 1 | 3 | 7 | 4 | 14 | 0 | 20 | 0 | 2 | 2 | 326 | Cpd.8 | null | 2.563831146 | 3.158763706 | 40.30507709 | 41.85686664 | 4.235526235 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 71.32344624 | 78.80065667 | 120.3009039 | 20.56137834 | null | -6.66 | null | null | null | null | null | -6.66 | null | null | null | 37.1 | 5 | 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](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 121.7278295 | 46.34600331 | 1.431199657 | 35.1962689 | 17.68187306 | 121.8291818 | 27.42434039 | 65.63914786 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meW'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 1.8394999999999997] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 36.1] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 130.0914236 | 41.51307291 | 17.68187306 | 167.7191521 | 54.51224487 | 4.235526235 | 10.90292493 | 0 | 2012_Rand | 39 | null | 175.46 | null | 583.5615135 | 0.0 | 90.70456965 | -3.698066534 | -7.463339463 | -48.44021593 | -58.92037607 | -46.88767625 | -58.52307553 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 0 | 0 | 3 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 6 | 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 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.236456101 | null |
d8c83898899df7e23d0861dd701bdcc25db75d63f2baeb686197079918b676dc | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 39 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meD'] | 39 | 40 | -6.34 | -6.34 | Circle | 2 | -1.66e-16 | -2.724044377 | -1.45e-16 | -2.873999484 | 6.04e-17 | -1.135769919 | 1.24e-15 | -0.249287767 | 3.775713004 | 3944.228238 | 175.0 | null | -6.44 | 92.38386868 | 85.85751619 | 25.85751619 | 49.18241607 | 42.87574984 | 13.16482607 | 9.09118878 | 9.09118878 | 5.493683581 | 5.493683581 | 3.400844547 | 3.400844547 | null | null | null | null | 274.0496827 | 26.80884113 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 10.21761638 | 60.43425867 | 756.4421775 | 0.851851852 | 1.407407407 | 1.981481481 | 0.666666667 | 173.0 | PEPTIDE40{L.[dP].[meY].L.[Me_dL].[meD]}$PEPTIDE40,PEPTIDE40,1:R1-6:R2$$$ | PEPTIDE40{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/meD/">[meD]</a>}$PEPTIDE40,PEPTIDE40,1:R1-6:R2$$$ | -4.69 | 54 | 696.462 | 40 | null | null | 9.999999999999999e+35 | 9.28839577 | 19.06503638 | 11.1692901 | 402.9086956 | null | 16.7252776 | 0.507966645 | 16.7252776 | 0.30548882 | 1.827132523 | 0.30548882 | -7.309283031 | -0.507966645 | 2.0029 | 200.699 | 756.942 | Circle | 6 | 6 | null | 4 | 15 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 9 | 4 | 15 | 0 | 20 | 0 | 2 | 2 | 300 | Cpd.9 | null | 2.255251788 | -1.141252729 | 40.43688201 | 41.85686664 | 2.823684157 | 35.44307838 | 2.862399314 | 5.969305288 | 33.56176029 | 0.0 | 0.0 | 0.0 | 53.19619012 | 67.19478647 | 96.85215887 | 20.08051046 | null | -6.34 | null | null | null | null | null | -6.34 | null | null | null | 74.8 | 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(=O)O)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 123.36554 | 41.41238366 | 2.862399314 | 30.21926563 | 17.68187306 | 121.8291818 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'meD'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, -0.2955000000000001] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 37.38] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 136.1925338 | 39.93468519 | 17.68187306 | 161.6748327 | 24.16967483 | 2.823684157 | 1.431199657 | 0 | 2012_Rand | 40 | null | 196.97 | null | 525.4687581 | 0.0 | 102.5330491 | 1.741903473 | -2.827887846 | -51.82002369 | -50.97724148 | -44.06704935 | -57.8848417 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 1 | 7 | 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 | 0.276143144 | null |
c625004410126674b89849a2b8957298078e2087bdf21f7c405d71caa9acabba | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 41 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Me_Lys(Me)'] | 46 | 42 | -6.63 | -6.63 | Circle | 9 | -2.45e-16 | -2.734243167 | -2.72e-16 | -2.875576093 | -1.28e-16 | -1.135778809 | 5.61e-16 | -0.249287767 | 3.88859032 | 4314.782357 | 134.0 | null | null | 101.6767619 | 95.9882332 | 26.9882332 | 53.60573613 | 47.95368045 | 13.70379138 | 9.277338099 | 9.277338099 | 5.628424907 | 5.628424907 | 3.450522514 | 3.450522514 | null | null | null | null | 299.6087272 | 24.75582106 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 70.01021099 | 783.5258475 | 0.857142857 | 1.446428571 | 2.053571429 | 0.714285714 | 132.0 | PEPTIDE42{L.[dP].[meY].L.[Me_dL].[Me_Lys(Me)]}$PEPTIDE42,PEPTIDE42,1:R1-6:R2$$$ | PEPTIDE42{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Lys(Me)/">[Me_Lys(Me)]</a>}$PEPTIDE42,PEPTIDE42,1:R1-6:R2$$$ | -4.2 | 56 | 714.504 | 42 | null | null | 1.6799999999999999e+41 | 8.86462668 | 21.35993652 | 12.39913182 | 431.2137492 | null | 17.13417719 | 0.507966645 | 17.13417719 | 0.29309207 | 1.800946543 | 0.29309207 | -7.578425683 | -0.507966645 | 2.9179 | 216.2239 | 784.056 | Circle | 6 | 6 | null | 4 | 14 | null | null | 0 | 2 | 2 | 1 | 0 | 1 | 8 | 4 | 14 | 0 | 24 | 0 | 2 | 2 | 314 | Cpd.11 | null | 1.524105617 | -1.072907393 | 40.63788717 | 43.26870872 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 53.19619012 | 99.78624776 | 109.1889859 | 13.70758556 | null | -6.63 | null | null | null | null | null | -6.63 | null | null | null | 59.7 | 3 | CNCCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@H]2C(=O)N(C)[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N1C | 127.2108637 | 35.44307838 | 1.431199657 | 35.52907898 | 17.68187306 | 134.5750316 | 40.89702697 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Me_Lys(Me)'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 0.5052000000000001] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 32.34] | 15.92944006 | 0.0 | 5.749511833 | 0.0 | 138.5871069 | 35.14014801 | 17.68187306 | 186.7575096 | 24.16967483 | 4.235526235 | 0.0 | 0 | 2012_Rand | 42 | null | 171.7 | null | 609.1326524 | 0.0 | 90.10968287 | -3.69899358 | -2.894005493 | -49.71980172 | -52.71424461 | -58.37631589 | -69.83897398 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 4 | 3 | 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 | 0.221482232 | null |
d1f64b9e751d52536ea9be71d6e67e409956b2ae8277ebc4516e6506c3a90f34 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 42 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Me_Cha'] | 42 | 43 | -6.74 | -6.74 | Circle | 9 | -3.36e-16 | -2.82634184 | -2.68e-16 | -2.878664481 | -1.07e-16 | -1.174129446 | 1.13e-16 | -0.249287767 | 3.222441745 | 4455.918792 | 125.0 | null | null | 103.0994116 | 97.54101961 | 27.54101961 | 54.45103559 | 49.05925326 | 14.25657778 | 9.803731301 | 9.803731301 | 6.016621508 | 6.016621508 | 3.735071664 | 3.735071664 | null | null | null | null | 305.8389596 | 30.23885528 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 65.8568518 | 794.5305986 | 0.754385965 | 1.315789474 | 1.912280702 | 0.727272727 | 127.0 | PEPTIDE43{L.[dP].[meY].L.[Me_dL].[Me_Cha]}$PEPTIDE43,PEPTIDE43,1:R1-6:R2$$$ | PEPTIDE43{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Cha/">[Me_Cha]</a>}$PEPTIDE43,PEPTIDE43,1:R1-6:R2$$$ | -4.16 | 57 | 724.519 | 43 | null | null | 9.849999999999999e+41 | 8.967169427 | 20.50328587 | 11.94240242 | 438.7348539 | null | 17.33460675 | 0.507966645 | 17.33460675 | 0.29309207 | 1.884088731 | 0.29309207 | -7.666945767 | -0.507966645 | 4.4986 | 219.6382 | 795.079 | Circle | 6 | 6 | null | 3 | 13 | null | null | 1 | 2 | 3 | 1 | 0 | 1 | 7 | 3 | 13 | 0 | 20 | 1 | 2 | 3 | 318 | Cpd.12 | null | 1.137517407 | -0.753340076 | 35.32807382 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 28.7672231 | 0.0 | 0.0 | 0.0 | 85.06081463 | 79.46166906 | 111.930503 | 13.70758556 | null | -6.74 | null | null | null | null | null | -6.74 | null | null | null | 12.2 | 4 | 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](CC2CCCCC2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 128.5405387 | 35.44307838 | 1.431199657 | 30.21926563 | 23.57583074 | 153.6938063 | 27.42434039 | 29.73312632 | 0 | 5.749511833 | [['PAMPA', 'RRCK']] | [2330] | [['-6.18', '-5.63']] | ['2018_Naylor'] | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Me_Cha'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 2.0859] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 20.31] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 125.1144203 | 35.14014801 | 23.57583074 | 208.6178014 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 43 | null | 159.67 | null | 626.4044527 | 0.0 | 90.81308168 | -1.95084566 | -2.906099027 | -56.79745965 | -53.13930629 | -75.04223132 | -59.88159248 | 0.0 | 1.0 | 2012 | 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 | 0.314806157 | null |
5eeeccab44d3ce45f5b3ef461864751fe95dc1b8d05ff2fa8392bea2c8727387 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 44 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Mono4'] | 41 | 45 | -5.84 | -5.84 | Circle | 6 | -2.13e-16 | -2.757724302 | -2.31e-16 | -2.877231919 | -9.86e-17 | -1.135769931 | 7.18e-16 | -0.249287767 | 3.17761467 | 4518.928344 | 122.0 | null | null | 103.7541122 | 97.39648149 | 28.39648149 | 54.9777446 | 48.9341978 | 14.63152232 | 10.04290086 | 10.04290086 | 6.162054933 | 6.162054933 | 3.789810999 | 3.789810999 | null | null | null | null | 310.999961 | 27.49733817 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 67.22761035 | 823.5207622 | 0.779661017 | 1.338983051 | 1.93220339 | 0.704545455 | 123.0 | PEPTIDE45{L.[dP].[meY].L.[Me_dL].[Mono4]}$PEPTIDE45,PEPTIDE45,1:R1-6:R2$$$ | PEPTIDE45{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Mono4/">[Mono4]</a>}$PEPTIDE45,PEPTIDE45,1:R1-6:R2$$$ | -4.69 | 59 | 754.525 | 45 | null | null | 6.550000000000001e+42 | 9.674347823 | 21.01763539 | 12.18799654 | 447.2512392 | null | 17.22610879 | 0.507966645 | 17.22610879 | 0.29309207 | 1.885274479 | 0.29309207 | -7.617245692 | -0.507966645 | 2.9308 | 223.4942 | 824.077 | Circle | 6 | 6 | null | 3 | 15 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 8 | 3 | 15 | 0 | 20 | 0 | 3 | 3 | 328 | Cpd.14 | null | 0.915132436 | -0.81290661 | 40.22798355 | 41.85686664 | 2.823684157 | 41.35025811 | 1.431199657 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 53.19619012 | 86.31356117 | 123.5534638 | 20.08051046 | null | -5.84 | null | null | null | null | null | -5.84 | null | null | null | 45.6 | 4 | 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(=O)N2CCCCC2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 131.9643173 | 41.35025811 | 1.431199657 | 35.11917536 | 17.68187306 | 140.9479565 | 40.41805975 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Mono4'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, 0.5180999999999996] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 40.620000000000005] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 148.9152292 | 39.93468519 | 17.68187306 | 194.501193 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 45 | null | 179.98 | null | 612.5558847 | 0.0 | 104.2181222 | -1.933961166 | -2.906531209 | -54.37016437 | -52.9524617 | -61.61824604 | -71.07597575 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 3 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.322515317 | null |
0a062a4a8d346195858bca4fb798cc3cf208799ca0cb535ce069deab9c0906f0 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 45 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Me_Abu(morpholino)'] | 54 | 46 | -5.92 | -5.92 | Circle | 1 | -2.36e-16 | -2.755322032 | -2.91e-16 | -2.891527575 | -6.72e-17 | -1.135773779 | 8.24e-16 | -0.249287767 | 3.188095788 | 4429.593053 | 127.0 | null | null | 102.8838687 | 96.89648149 | 27.89648149 | 54.52416778 | 48.63832195 | 14.33564646 | 9.780737912 | 9.780737912 | 5.97628257 | 5.97628257 | 3.65932122 | 3.65932122 | null | null | null | null | 305.5888367 | 30.23885528 | 28.7672231 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 64.48609324 | 811.5207622 | 0.810344828 | 1.379310345 | 1.982758621 | 0.720930233 | 127.0 | PEPTIDE46{L.[dP].[meY].L.[Me_dL].[Me_Abu(morpholino)]}$PEPTIDE46,PEPTIDE46,1:R1-6:R2$$$ | PEPTIDE46{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Me_Abu(morpholino)/">[Me_Abu(morpholino)]</a>}$PEPTIDE46,PEPTIDE46,1:R1-6:R2$$$ | -4.24 | 58 | 742.514 | 46 | null | null | 6.86e+41 | 9.462018142 | 21.14518828 | 12.15196514 | 441.8383202 | null | 17.26375767 | 0.507966645 | 17.26375767 | 0.29309207 | 1.879275888 | 0.29309207 | -7.601902432 | -0.507966645 | 2.2505 | 220.3222 | 812.066 | Circle | 6 | 6 | null | 3 | 15 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 9 | 3 | 15 | 0 | 21 | 0 | 3 | 3 | 324 | Cpd.15 | null | 1.342224983 | -1.202388771 | 40.06493677 | 41.85686664 | 2.823684157 | 35.44307838 | 1.431199657 | 0.0 | 33.66713284 | 0.0 | 0.0 | 0.0 | 53.19619012 | 73.56771137 | 124.5672893 | 32.30859027 | null | -5.92 | null | null | null | null | null | -5.92 | null | null | null | 48.7 | 4 | 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](CCN2CCOCC2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 131.9066431 | 35.44307838 | 1.431199657 | 35.11917536 | 17.68187306 | 121.8291818 | 60.03288992 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Me_Abu(morpholino)'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, -0.1621999999999992] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 32.78] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 162.6228796 | 39.87701096 | 17.68187306 | 175.3824183 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 46 | null | 172.14 | null | 618.8978132 | 0.0 | 88.56962026 | -1.898067409 | -2.898808508 | -49.83121067 | -52.85152501 | -45.86509104 | -87.37273081 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 6 | 6 | 0 | 0 | 0 | 5 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 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 | 0.303423463 | null |
f2c15d6ef3459b0251612f1c02e80a9927b411b8be6a40fc1de20e8bc197cf0e | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 46 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Mono5'] | 41 | 47 | -6.2 | -6.2 | Circle | 1 | -2.09e-16 | -2.727034507 | -1.7e-16 | -2.879044827 | 1.12e-17 | -1.135769874 | 1.38e-15 | -0.249287767 | 3.167504623 | 4431.698255 | 146.0 | null | null | 101.9612189 | 95.30472978 | 28.30472978 | 54.18485138 | 47.84244609 | 14.53977061 | 9.974087078 | 9.974087078 | 6.118600699 | 6.118600699 | 3.753302058 | 3.753302058 | null | null | null | null | 304.9991567 | 24.75582106 | 33.56176029 | 0 | 0 | 0 | 0 | 0 | 0 | 9.845671145 | 67.22761035 | 825.5000267 | 0.830508475 | 1.389830508 | 1.983050847 | 0.697674419 | 147.0 | PEPTIDE47{L.[dP].[meY].L.[Me_dL].[Mono5]}$PEPTIDE47,PEPTIDE47,1:R1-6:R2$$$ | PEPTIDE47{<a href="/monomers/L/">L</a>.<a href="/monomers/dP/">[dP]</a>.<a href="/monomers/meY/">[meY]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Me_dL/">[Me_dL]</a>.<a href="/monomers/Mono5/">[Mono5]</a>}$PEPTIDE47,PEPTIDE47,1:R1-6:R2$$$ | -4.73 | 59 | 758.513 | 47 | null | null | 1.19e+42 | 9.972237622 | 20.98990958 | 12.16894058 | 443.1899013 | null | 17.17055094 | 0.507966645 | 17.17055094 | 0.29309207 | 1.876602415 | 0.29309207 | -7.577762221 | -0.507966645 | 1.7771 | 220.4622 | 826.049 | Circle | 6 | 6 | null | 3 | 16 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 9 | 3 | 16 | 0 | 20 | 0 | 3 | 3 | 328 | Cpd.16 | null | 1.780291363 | -1.076979509 | 44.96484651 | 41.85686664 | 2.823684157 | 41.35025811 | 1.431199657 | 0.0 | 33.56176029 | 0.0 | 0.0 | 0.0 | 53.19619012 | 67.19478647 | 109.8458782 | 44.1645494 | null | -6.2 | null | null | null | null | null | -6.2 | null | null | null | 47.9 | 4 | 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(=O)N2CCOCC2)N(C)C(=O)[C@@H](CC(C)C)N(C)C1=O | 133.9596632 | 41.35025811 | 1.431199657 | 35.11917536 | 17.68187306 | 121.8291818 | 53.53603024 | 29.73312632 | 0 | 5.749511833 | null | null | null | null | ['L', 'dP', 'meY', 'L', 'Me_dL', 'Mono5'] | [0.8193999999999995, 0.2794999999999998, 1.0637999999999996, 0.8193999999999995, 1.1616, -0.6355999999999993] | [29.1, 20.31, 40.540000000000006, 29.1, 20.31, 49.85000000000001] | 10.61962671 | 0.0 | 5.749511833 | 0.0 | 162.0331997 | 44.67154814 | 17.68187306 | 172.6409012 | 24.16967483 | 2.823684157 | 0.0 | 0 | 2012_Rand | 47 | null | 189.21 | null | 597.8129551 | 0.0 | 104.0240635 | -1.885529552 | -2.895008432 | -54.01775 | -52.69530746 | -45.69978104 | -80.47697547 | 0.0 | 1.0 | 2012 | null | null | null | null | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 7 | 7 | 0 | 0 | 0 | 5 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7 | 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 | 1 | 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 | 0.316137459 | null |
b383f3c04f522367e0ff13ea072b37b5eb894f756583375f97c319efd712f3fa | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 47 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'A', 'L', 'meV', 'L', 'F', 'F', 'P', 'I', 'T', 'G', 'D', '-pip'] | 70 | 48 | -6.25 | -6.25 | Lariat | 1 | -1.51e-16 | -2.756229902 | -8.75e-17 | -2.894512548 | -7.74e-17 | -1.134659773 | 2.49e-15 | -0.249287762 | 2.763613904 | 7696.855633 | 285.0 | null | null | 160.146417 | 148.5292528 | 45.52925281 | 85.64548156 | 74.22271941 | 23.34233517 | 15.57726043 | 15.57726043 | 9.279693777 | 9.279693777 | 5.514731425 | 5.514731425 | null | null | null | null | 490.431208 | 46.85229204 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 94.80711557 | 1325.774745 | 0.610526316 | 1.210526316 | 1.821052632 | 0.632352941 | 286.0 | PEPTIDE48{A.A.L.[meV].L.F.F.P.I.T.G.D.[-pip]}$PEPTIDE48,PEPTIDE48,1:R1-12:R3$$$ | PEPTIDE48{<a href="/monomers/A/">A</a>.<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meV/">[meV]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/T/">T</a>.<a href="/mono... | -8.49 | 95 | 1222.825 | 48 | null | null | 7.869999999999999e+75 | 16.89247555 | 36.97934911 | 23.14673206 | 702.9591043 | null | 17.48399281 | 0.390716898 | 17.48399281 | 0.245675545 | 2.122625924 | 0.245675545 | -7.780238995 | -0.390716898 | 0.4003 | 353.2508 | 1326.649 | Lariat | 13 | 12 | null | 11 | 27 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 14 | 11 | 27 | 0 | 26 | 0 | 3 | 3 | 524 | DP-3 | -6.25 | -5.950868298 | 2.277092711 | 72.90667092 | 66.19681715 | 14.11842078 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 121.6122489 | 99.86888439 | 132.4238376 | 51.84800796 | null | -6.25 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC1=O | 207.6659995 | 76.79333648 | 1.431199657 | 67.79786273 | 23.57583074 | 217.7498224 | 32.96326564 | 71.55109006 | 0 | 0.0 | null | null | null | null | ['A', 'A', 'L', 'meV', 'L', 'F', 'F', 'P', 'I', 'T', 'G', 'D', '-pip'] | [-0.2068000000000003, -0.2068000000000003, 0.8193999999999995, 0.7715000000000001, 0.8193999999999995, 1.0159999999999998, 1.0159999999999998, 0.2794999999999998, 0.8193999999999999, -0.1918000000000002, -0.5953000000000002, -0.6377000000000004, 1.1021] | [29.1, 29.1, 29.1, 20.31, 29.1, 29.1, 29.1, 20.31, 29.1, 38.33, 29.1, 46.17, 3.24] | 53.09813353 | 0.0 | 0.0 | 0.0 | 203.2731743 | 75.0748332 | 23.57583074 | 269.9638276 | 60.42418708 | 14.11842078 | 0.0 | 0 | 2013_CHUGAI | 48 | null | 372.16 | null | 924.3515651 | 0.0 | 208.1180607 | -25.93885974 | -6.320668194 | -90.09228153 | -104.8621467 | -75.83579619 | -98.50320677 | 0.0 | 1.0 | 2013 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 3 | 10 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 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 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.129441209 | null |
e4c5f41bb28424205dba272e5e6eacf5ad61ea493ccb0ac6463141c1da014d7f | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 48 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'V', 'meA', 'L', 'L', 'I', 'F', 'L', 'P', 'T', 'L', 'D', '-pip'] | 70 | 49 | -4.96 | -4.96 | Lariat | 5 | -2.76e-16 | -2.757177549 | -2.73e-16 | -2.898608632 | -2.22e-16 | -1.135390385 | 5.74e-16 | -0.249287767 | 3.407834995 | 7859.025629 | 266.0 | null | null | 170.1823154 | 159.0292528 | 46.02925281 | 89.72005508 | 79.22271941 | 23.34233517 | 15.68906383 | 15.68906383 | 9.185929912 | 9.185929912 | 5.424872115 | 5.424872115 | null | null | null | null | 499.7451045 | 57.94161106 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 97.42538211 | 1347.852995 | 0.583333333 | 1.135416667 | 1.708333333 | 0.724637681 | 269.0 | PEPTIDE49{A.V.[meA].L.L.I.F.L.P.T.L.D.[-pip]}$PEPTIDE49,PEPTIDE49,1:R1-12:R3$$$ | PEPTIDE49{<a href="/monomers/A/">A</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/T/">T</a>.<a href="/mono... | -7.71 | 96 | 1234.836 | 49 | null | null | 1.41e+82 | 16.11930404 | 38.28805131 | 24.43114605 | 726.5063099 | null | 17.43383341 | 0.390716897 | 17.43383341 | 0.245419195 | 2.232756086 | 0.245419195 | -7.858262899 | -0.390716897 | 1.6184 | 360.9358 | 1348.74 | Lariat | 13 | 12 | null | 11 | 27 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 14 | 11 | 27 | 0 | 32 | 0 | 3 | 3 | 538 | DP-4 | -4.96 | -7.462552582 | 0.932582467 | 72.90667092 | 72.21470962 | 14.11842078 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 118.8077238 | 118.8391981 | 147.9830496 | 37.12659694 | null | -4.96 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O | 221.3735851 | 76.79333648 | 1.431199657 | 67.79786273 | 35.36374611 | 257.5482082 | 26.46640595 | 35.77554503 | 0 | 0.0 | [['Caco2']] | [7488] | [['-7.17']] | ['2023_Ohta'] | ['A', 'V', 'meA', 'L', 'L', 'I', 'F', 'L', 'P', 'T', 'L', 'D', '-pip'] | [-0.2068000000000003, 0.4292999999999995, 0.1353999999999999, 0.8193999999999995, 0.8193999999999995, 0.8193999999999999, 1.0159999999999998, 0.8193999999999995, 0.2794999999999998, -0.1918000000000002, 0.8193999999999995, -0.6377000000000004, 1.1021] | [29.1, 29.1, 20.31, 29.1, 29.1, 29.1, 29.1, 29.1, 20.31, 38.33, 29.1, 46.17, 3.24] | 53.09813353 | 0.0 | 0.0 | 0.0 | 202.7942071 | 68.70190829 | 35.36374611 | 318.2613799 | 30.21209354 | 14.11842078 | 0.0 | 0 | 2013_CHUGAI | 49 | null | 372.16 | null | 1015.191935 | 0.0 | 211.82662 | -28.5534656 | -3.318768882 | -107.3014096 | -103.6428024 | -86.25477537 | -118.2806664 | 0.0 | 1.0 | 2013 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 3 | 10 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.118967373 | null |
bee52cbccb39b5b51537c7e8d4c6c44a81c797e6826b0a0307376566a9478b3b | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 49 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'I', 'P', 'meL', 'T', 'G', 'F', 'meA', 'V', 'L', 'L', 'D', '-pip'] | 72 | 50 | -4.89 | -4.89 | Lariat | 3 | -2.58e-16 | -2.757287374 | -2.37e-16 | -2.894357769 | -1.62e-16 | -1.135365476 | 1.02e-15 | -0.249287767 | 3.304410703 | 7505.984024 | 303.0 | null | null | 162.6823154 | 151.5292528 | 44.52925281 | 85.93137995 | 75.49911262 | 22.56594197 | 15.17586723 | 15.17586723 | 8.993042422 | 8.993042422 | 5.275053198 | 5.275053198 | null | null | null | null | 480.8193282 | 49.6759762 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 97.42538211 | 1305.806045 | 0.634408602 | 1.290322581 | 1.903225806 | 0.712121212 | 303.0 | PEPTIDE50{A.I.P.[meL].T.G.F.[meA].V.L.L.D.[-pip]}$PEPTIDE50,PEPTIDE50,1:R1-12:R3$$$ | PEPTIDE50{<a href="/monomers/A/">A</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/V/">V</a>.<a href="/monomers/L/">L</a>.<a href=... | -7.71 | 93 | 1198.803 | 50 | null | null | 4.48e+77 | 15.88876754 | 36.66264989 | 23.07108151 | 699.1335754 | null | 17.21854601 | 0.390716898 | 17.21854601 | 0.245606955 | 2.064330868 | 0.245606955 | -7.7621049 | -0.390716898 | 0.5459 | 347.1871 | 1306.659 | Lariat | 13 | 12 | null | 10 | 27 | null | null | 0 | 3 | 3 | 1 | 0 | 1 | 14 | 10 | 27 | 0 | 29 | 0 | 3 | 3 | 520 | DP-5 | -4.89 | -6.194448871 | 1.028203042 | 72.49676729 | 66.19681715 | 12.7065787 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 105.1039396 | 106.5723155 | 146.7343251 | 44.99421518 | null | -4.89 | null | null | null | null | null | null | null | null | null | null | 4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O | 213.1079502 | 76.79333648 | 1.431199657 | 67.3879591 | 29.46978843 | 231.4536066 | 39.93909254 | 35.77554503 | 0 | 0.0 | null | null | null | null | ['A', 'I', 'P', 'meL', 'T', 'G', 'F', 'meA', 'V', 'L', 'L', 'D', '-pip'] | [-0.2068000000000003, 0.8193999999999999, 0.2794999999999998, 1.1616, -0.1918000000000002, -0.5953000000000002, 1.0159999999999998, 0.1353999999999999, 0.4292999999999995, 0.8193999999999995, 0.8193999999999995, -0.6377000000000004, 1.1021] | [29.1, 29.1, 20.31, 20.31, 38.33, 29.1, 29.1, 20.31, 29.1, 29.1, 29.1, 46.17, 3.24] | 47.78832018 | 0.0 | 0.0 | 0.0 | 215.148911 | 68.70190829 | 29.46978843 | 291.330878 | 30.21209354 | 12.7065787 | 0.0 | 0 | 2013_CHUGAI | 50 | null | 363.37 | null | 955.8850337 | 0.0 | 206.1146454 | -24.24229526 | -3.033321073 | -98.62880974 | -93.64797079 | -78.16375785 | -118.3668577 | 0.0 | 1.0 | 2013 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 4 | 9 | 0 | 0 | 2 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 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 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.129028565 | null |
14a97e8b5ee665c25d8b9f65b278bd860d67a94c91b93b70246d9ad2d1f5385c | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 50 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'L', 'Sar', 'L', 'meI', 'meA', 'F', 'T', 'F', 'meL', 'P', 'D', '-pip'] | 76 | 51 | -5.0 | -5 | Lariat | 7 | -1.97e-16 | -2.756510014 | -1.63e-16 | -2.895211325 | -7.77e-17 | -1.135088899 | 1.34e-15 | -0.249287762 | 2.886790184 | 8171.09162 | 263.0 | null | null | 170.146417 | 158.5292528 | 47.52925281 | 90.52945616 | 79.30189902 | 24.26315556 | 16.37308083 | 16.37308083 | 9.870436313 | 9.870436313 | 5.881984625 | 5.881984625 | null | null | null | null | 516.5019028 | 55.1179269 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 97.38429859 | 1381.837345 | 0.595959596 | 1.212121212 | 1.797979798 | 0.652777778 | 268.0 | PEPTIDE51{A.L.[Sar].L.[meI].[meA].F.T.F.[meL].P.D.[-pip]}$PEPTIDE51,PEPTIDE51,1:R1-12:R3$$$ | PEPTIDE51{<a href="/monomers/A/">A</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/F/">F</a>.<a href="/monomers/meL/">[meL]<... | -8.49 | 99 | 1270.869 | 51 | null | null | 1.75e+82 | 17.17013701 | 38.18682475 | 23.30279588 | 740.1143813 | null | 17.77156375 | 0.390716897 | 17.77156375 | 0.245555444 | 2.168438721 | 0.245555444 | -8.000653618 | -0.390716897 | 1.817 | 371.7497 | 1382.757 | Lariat | 13 | 12 | null | 8 | 27 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 14 | 8 | 27 | 0 | 30 | 0 | 3 | 3 | 548 | DP-7 | -5.0 | -6.586661511 | 2.656628685 | 71.67696005 | 66.19681715 | 9.882894548 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 121.6122489 | 106.2418093 | 168.4296624 | 51.84800796 | null | -5.0 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N(C)CC(=O)N[C@@H](CC(C)C)C(=O)N1C | 218.5088174 | 76.79333648 | 1.431199657 | 66.56815186 | 23.57583074 | 224.1227473 | 53.89074634 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7490] | [['-7.64']] | ['2023_Ohta'] | ['A', 'L', 'Sar', 'L', 'meI', 'meA', 'F', 'T', 'F', 'meL', 'P', 'D', '-pip'] | [-0.2068000000000003, 0.8193999999999995, -0.2531000000000001, 0.8193999999999995, 1.1616, 0.1353999999999999, 1.0159999999999998, -0.1918000000000002, 1.0159999999999998, 1.1616, 0.2794999999999998, -0.6377000000000004, 1.1021] | [29.1, 29.1, 20.31, 29.1, 20.31, 20.31, 29.1, 38.33, 29.1, 20.31, 20.31, 46.17, 3.24] | 37.16869347 | 0.0 | 0.0 | 0.0 | 238.9003842 | 75.0748332 | 23.57583074 | 291.4150966 | 60.42418708 | 9.882894548 | 0.0 | 0 | 2013_CHUGAI | 51 | null | 345.79 | null | 1004.738666 | 0.0 | 203.653383 | -17.93193549 | -6.486099595 | -93.12711768 | -108.3960905 | -85.45083434 | -121.0833051 | 0.0 | 1.0 | 2013 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 6 | 7 | 0 | 0 | 4 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 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 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.13386766 | null |
afc38c1e657efebeca6c9bd186662d5ab5aa198f25185b4768056d5941e9755d | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 51 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'I', 'P', 'meL', 'Sar', 'T', 'meF', 'meA', 'L', 'meV', 'F', 'D', '-pip'] | 78 | 52 | -4.89 | -4.89 | Lariat | 4 | -2.29e-16 | -2.756651707 | -1.71e-16 | -2.887396338 | -1.16e-17 | -1.13503864 | 1.7e-15 | -0.249287763 | 2.903639687 | 8165.581845 | 270.0 | null | null | 170.146417 | 158.5292528 | 47.52925281 | 90.49078102 | 79.32829222 | 24.23676236 | 16.47168762 | 16.47168762 | 10.07718666 | 10.07718666 | 5.973723616 | 5.973723616 | null | null | null | null | 516.6949011 | 52.33532627 | 62.32898339 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 100.1258157 | 1381.837345 | 0.606060606 | 1.272727273 | 1.878787879 | 0.652777778 | 275.0 | PEPTIDE52{A.I.P.[meL].[Sar].T.[meF].[meA].L.[meV].F.D.[-pip]}$PEPTIDE52,PEPTIDE52,1:R1-12:R3$$$ | PEPTIDE52{<a href="/monomers/A/">A</a>.<a href="/monomers/I/">I</a>.<a href="/monomers/P/">P</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/Sar/">[Sar]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/L/">L</a>.<a href="/monomers/meV/">... | -8.49 | 99 | 1270.869 | 52 | null | null | 5.96e+82 | 17.17013701 | 37.62940102 | 22.25272456 | 740.2662961 | null | 17.59355873 | 0.390716756 | 17.59355873 | 0.247773719 | 2.201274455 | 0.247773719 | -7.867091265 | -0.390716756 | 1.7691 | 371.76 | 1382.757 | Lariat | 13 | 12 | null | 7 | 27 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 14 | 7 | 27 | 0 | 30 | 0 | 3 | 3 | 548 | DP-9 | -4.89 | -6.220653718 | 2.717819244 | 71.26705643 | 66.19681715 | 8.47105247 | 78.22453614 | 0.0 | 0.0 | 62.32898339 | 0.0 | 0.0 | 0.0 | 121.6122489 | 99.86888439 | 176.7762479 | 51.84800796 | null | -4.89 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@@H](C(=O)N2CCCCC2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)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]([C@@H](C)O)NC(=O)CN(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O | 218.4677339 | 76.79333648 | 1.431199657 | 66.15824824 | 23.57583074 | 217.7498224 | 60.86657324 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7492] | [['-7.43']] | ['2023_Ohta'] | ['A', 'I', 'P', 'meL', 'Sar', 'T', 'meF', 'meA', 'L', 'meV', 'F', 'D', '-pip'] | [-0.2068000000000003, 0.8193999999999999, 0.2794999999999998, 1.1616, -0.2531000000000001, -0.1918000000000002, 1.3581999999999996, 0.1353999999999999, 0.8193999999999995, 0.7715000000000001, 1.0159999999999998, -0.6377000000000004, 1.1021] | [29.1, 29.1, 20.31, 20.31, 20.31, 38.33, 20.31, 20.31, 29.1, 20.31, 29.1, 46.17, 3.24] | 31.85888012 | 0.0 | 0.0 | 0.0 | 250.7761209 | 75.0748332 | 23.57583074 | 286.4129302 | 60.42418708 | 8.47105247 | 0.0 | 0 | 2013_CHUGAI | 52 | null | 337.0 | null | 1006.303932 | 0.0 | 201.6617751 | -15.27533502 | -6.588081662 | -93.96039784 | -109.1934007 | -78.56406464 | -128.4677602 | 0.0 | 1.0 | 2013 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 13 | 0 | 0 | 0 | 7 | 6 | 0 | 0 | 5 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 13 | 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 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.150431955 | null |
c1084583d87185be33e15432e603bc04e7d434683a63178b3094d9b8653e1778 | cycpeptmpdb | peptide/cycpeptmpdb/CycPeptMPDB_Peptide_All.csv | tables/peptide_cycpeptmpdb_CycPeptMPDB_Peptide_All.csv.jsonl | 52 | all | CycPeptMPDB | CycPeptMPDB_Peptide_All | peptide | CycPeptMPDB_Peptide_All | ['A', 'G', 'meL', 'meI', 'meA', 'meF', 'T', 'meF', 'meL', 'P', 'D', '-pip'] | 75 | 53 | -4.52 | -4.52 | Lariat | 1 | -2.21e-16 | -2.756486196 | -1.92e-16 | -2.882209963 | -2.12e-18 | -1.135256177 | 1.79e-15 | -0.249287762 | 2.910150524 | 7620.021579 | 212.0 | null | null | 159.4917165 | 148.6737909 | 44.67379092 | 84.88672175 | 74.50613409 | 22.80903142 | 15.55473166 | 15.55473166 | 9.693708675 | 9.693708675 | 5.737294785 | 5.737294785 | null | null | null | null | 486.4281969 | 49.42947507 | 57.53444621 | 0 | 0 | 0 | 0 | 0 | 0 | 5.108808191 | 93.35418996 | 1296.784581 | 0.634408602 | 1.23655914 | 1.806451613 | 0.647058824 | 215.0 | PEPTIDE53{A.G.[meL].[meI].[meA].[meF].T.[meF].[meL].P.D.[-pip]}$PEPTIDE53,PEPTIDE53,1:R1-11:R3$$$ | PEPTIDE53{<a href="/monomers/A/">A</a>.<a href="/monomers/G/">G</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/monomers/meI/">[meI]</a>.<a href="/monomers/meA/">[meA]</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/T/">T</a>.<a href="/monomers/meF/">[meF]</a>.<a href="/monomers/meL/">[meL]</a>.<a href="/mon... | -7.96 | 93 | 1192.819 | 53 | null | null | 1.9e+75 | 16.11761291 | 34.80262612 | 19.79513095 | 695.3542081 | null | 18.00571651 | 0.390716755 | 18.00571651 | 0.247773877 | 2.20786046 | 0.247773877 | -8.041208703 | -0.390716755 | 1.9705 | 349.6186 | 1297.651 | Lariat | 12 | 11 | null | 5 | 25 | null | null | 0 | 3 | 3 | 2 | 0 | 2 | 13 | 5 | 25 | 0 | 28 | 0 | 3 | 3 | 514 | DP-16 | -4.52 | -4.945029925 | 2.763166956 | 65.54733945 | 60.17892468 | 5.647368313 | 72.31735641 | 0.0 | 0.0 | 57.53444621 | 0.0 | 0.0 | 0.0 | 107.9084647 | 93.9749267 | 178.2690405 | 50.4772494 | null | -4.52 | null | null | null | null | null | null | null | null | null | null | 5 | CC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@@H](C)C(=O)NCC(=O)N(C)[C@@H](CC(C)C)C(=O)N1C | 203.9957198 | 70.88615675 | 1.431199657 | 60.43853126 | 17.68187306 | 198.0281457 | 67.84240014 | 71.55109006 | 0 | 0.0 | [['Caco2']] | [7498] | [['-6.59']] | ['2023_Ohta'] | ['A', 'G', 'meL', 'meI', 'meA', 'meF', 'T', 'meF', 'meL', 'P', 'D', '-pip'] | [-0.2068000000000003, -0.5953000000000002, 1.1616, 1.1616, 0.1353999999999999, 1.3581999999999996, -0.1918000000000002, 1.3581999999999996, 1.1616, 0.2794999999999998, -0.6377000000000004, 1.1021] | [29.1, 29.1, 20.31, 20.31, 20.31, 20.31, 38.33, 20.31, 20.31, 20.31, 46.17, 3.24] | 21.23925341 | 0.0 | 0.0 | 0.0 | 250.7267853 | 70.28029601 | 17.68187306 | 265.8553532 | 60.42418708 | 5.647368313 | 0.0 | 0 | 2013_CHUGAI | 53 | null | 299.11 | null | 944.9806633 | 0.0 | 181.2404559 | -8.200692746 | -6.681706463 | -81.64342599 | -102.0898004 | -78.56135067 | -122.5441429 | 0.0 | 1.0 | 2013 | null | null | null | null | null | null | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 12 | 0 | 0 | 0 | 8 | 4 | 0 | 0 | 6 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 12 | 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 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0.203466163 | null |
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