compound stringlengths 4 309 | solvents stringclasses 27 values | gradient stringclasses 57 values | column stringclasses 34 values | flow_rate float64 0.01 3 | temp float64 25 65 | rt float64 0 6.03k | source stringclasses 8 values | method_number int64 1 73 |
|---|---|---|---|---|---|---|---|---|
C(=C\C(=O)[O-])\C(=O)[O-] | {'A': [{'CC#N': 95, 'O': 5}, {}], 'B': [{'O': 70, 'CC#N': 30}, {'C(=O)[O-].[NH4+]': 0.01}]} | [(0.0, 0.0), (2.0, 0.0), (20.0, 70.0), (23.0, 70.0), (24.0, 0.0), (31.0, 0.0)] | ('HI', 2.1, 150, 1.7) | 0.5 | 40 | 36.6 | report | 9 |
C(=C\C(=O)[O-])\C(=O)[O-] | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0.0, 2.0), (14.0, 100.0), (17.0, 100.0), (17.1, 2.0), (25.0, 2.0)] | ('RP', 2.1, 150, 1.7) | 0.3 | 30 | 91.2 | report | 6 |
C(=C\c1nc2ccccc2o1)\c1ccc2c(c1)OCO2 | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (3, 5), (5, 50), (20, 85), (23, 85)] | ('RP', 2.1, 50, 1.8) | 0.1 | 40 | 1,006.3 | metlin | 1 |
C(=N)(N)N | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265}]} | [(0.0, 0.0), (6.0, 0.0), (56.0, 100.0), (60.0, 100.0)] | ('RP', 2.1, 100, 1.8) | 0.3 | 30 | 78 | report | 10 |
C(=N/n1cnnc1)\c1ccc2c(c1)CCC2 | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (3, 5), (5, 50), (20, 85), (23, 85)] | ('RP', 2.1, 50, 1.8) | 0.1 | 40 | 857.7 | metlin | 1 |
C(=N\NC1=NCCN1)\c1c2ccccc2c(/C=N\NC2=NCCN2)c2ccccc12 | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (3, 5), (5, 50), (20, 85), (23, 85)] | ('RP', 2.1, 50, 1.8) | 0.1 | 40 | 589.8 | metlin | 1 |
C(=O)(C(=O)O)C(=O)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0.0, 2.0), (14.0, 100.0), (17.0, 100.0), (17.1, 2.0), (25.0, 2.0)] | ('RP', 2.1, 150, 1.7) | 0.3 | 30 | 60.6 | report | 6 |
C(=O)(C(=O)O)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265}]} | [(0.0, 0.0), (6.0, 0.0), (56.0, 100.0), (60.0, 100.0)] | ('RP', 2.1, 100, 1.8) | 0.3 | 30 | 78 | report | 10 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.2204 | 30 | 811.8 | mcmrt | 18 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 12), (8, 95), (9, 100), (11, 100), (11.1, 12), (14, 12)] | ('RP', 2.1, 100, 1.9) | 0.3 | 45 | 532.2 | mcmrt | 19 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.2204 | 30 | 706.8 | mcmrt | 38 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 2), (2, 2), (15, 99), (17, 99), (18, 2), (20, 2)] | ('RP', 2.1, 105, 1.8) | 0.5 | 30 | 911.4 | mcmrt | 39 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 1,834.2 | mcmrt | 40 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 2,088.6 | mcmrt | 41 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 4.6, 150, 5) | 1 | 30 | 1,876.2 | mcmrt | 42 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (1, 5), (7, 40), (14, 100), (18, 100), (18.1, 5), (20, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 980.4 | mcmrt | 12 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (1, 5), (7, 40), (14, 100), (18, 100), (18.1, 5), (20, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 919.2 | mcmrt | 13 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 1,287.6 | mcmrt | 14 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 1,207.2 | mcmrt | 15 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 4.6, 150, 5) | 1 | 30 | 1,278 | mcmrt | 16 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CC#N': 100}, {}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.2204 | 30 | 794.4 | mcmrt | 20 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (10, 100), (12, 100), (12.1, 0), (15, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 700.2 | mcmrt | 21 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 1.7) | 0.2 | 30 | 1,508.4 | mcmrt | 22 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 1.9) | 0.3 | 30 | 1,380.6 | mcmrt | 23 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 2.2) | 0.2 | 30 | 1,544.4 | mcmrt | 24 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 1,450.2 | mcmrt | 25 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (38, 100), (42, 100), (42.1, 0), (45, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 2,227.8 | mcmrt | 26 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (4, 40), (15, 100), (18, 100), (18.1, 0), (21, 0)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 1,035 | mcmrt | 27 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (12, 40), (40, 100), (49, 100), (50, 1), (60, 1)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 2,328 | mcmrt | 28 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (12, 40), (40, 100), (49, 100), (50, 1), (60, 1)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 2,205 | mcmrt | 29 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.7) | 0.2204 | 40 | 820.2 | mcmrt | 30 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.22 | 30 | 792.6 | mcmrt | 31 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.22 | 30 | 865.2 | mcmrt | 32 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (5, 39), (21, 99), (25, 99), (25.1, 1), (30, 1)] | ('RP', 2.1, 100, 2.2) | 0.228 | 30 | 1,219.2 | mcmrt | 33 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (2, 1), (40, 40), (70, 100), (89, 100), (90, 1), (100, 1)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 4,106.4 | mcmrt | 34 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 5), (1, 5), (12, 40), (40, 100), (49, 100), (50, 5), (60, 5)] | ('RP', 4.6, 150, 5) | 0.2 | 30 | 2,354.4 | mcmrt | 35 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 5), (1, 5), (2, 40), (6, 100), (8, 100), (8.1, 5), (10, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 522 | mcmrt | 36 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.2204 | 30 | 784.8 | mcmrt | 17 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.2204 | 30 | 787.2 | mcmrt | 18 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 12), (8, 95), (9, 100), (11, 100), (11.1, 12), (14, 12)] | ('RP', 2.1, 100, 1.9) | 0.3 | 45 | 535.2 | mcmrt | 19 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.2204 | 30 | 855 | mcmrt | 38 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 2), (2, 2), (15, 99), (17, 99), (18, 2), (20, 2)] | ('RP', 2.1, 105, 1.8) | 0.5 | 30 | 881.4 | mcmrt | 39 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 1,764 | mcmrt | 40 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 2,007 | mcmrt | 41 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 4.6, 150, 5) | 1 | 30 | 1,833.6 | mcmrt | 42 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (1, 5), (7, 40), (14, 100), (18, 100), (18.1, 5), (20, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 960 | mcmrt | 12 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (1, 5), (7, 40), (14, 100), (18, 100), (18.1, 5), (20, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 898.8 | mcmrt | 13 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 1,248.6 | mcmrt | 14 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 1,168.8 | mcmrt | 15 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 4.6, 150, 5) | 1 | 30 | 1,249.8 | mcmrt | 16 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CC#N': 100}, {}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.2204 | 30 | 740.4 | mcmrt | 20 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (10, 100), (12, 100), (12.1, 0), (15, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 691.2 | mcmrt | 21 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 1.7) | 0.2 | 30 | 1,471.2 | mcmrt | 22 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 1.9) | 0.3 | 30 | 1,345.8 | mcmrt | 23 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 2.2) | 0.2 | 30 | 1,509 | mcmrt | 24 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 1,417.8 | mcmrt | 25 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (38, 100), (42, 100), (42.1, 0), (45, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 2,157.6 | mcmrt | 26 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (4, 40), (15, 100), (18, 100), (18.1, 0), (21, 0)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 1,002.6 | mcmrt | 27 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (12, 40), (40, 100), (49, 100), (50, 1), (60, 1)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 2,242.8 | mcmrt | 28 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (12, 40), (40, 100), (49, 100), (50, 1), (60, 1)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 2,113.2 | mcmrt | 29 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.7) | 0.2204 | 40 | 789 | mcmrt | 30 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.22 | 30 | 769.8 | mcmrt | 31 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.22 | 30 | 831.6 | mcmrt | 32 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (5, 39), (21, 99), (25, 99), (25.1, 1), (30, 1)] | ('RP', 2.1, 100, 2.2) | 0.228 | 30 | 1,167 | mcmrt | 33 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (2, 1), (40, 40), (70, 100), (89, 100), (90, 1), (100, 1)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 4,012.8 | mcmrt | 34 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 5), (1, 5), (12, 40), (40, 100), (49, 100), (50, 5), (60, 5)] | ('RP', 4.6, 150, 5) | 0.2 | 30 | 2,284.2 | mcmrt | 35 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 5), (1, 5), (2, 40), (6, 100), (8, 100), (8.1, 5), (10, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 502.2 | mcmrt | 36 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.2204 | 30 | 811.8 | mcmrt | 17 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.2204 | 30 | 787.2 | mcmrt | 18 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 12), (8, 95), (9, 100), (11, 100), (11.1, 12), (14, 12)] | ('RP', 2.1, 100, 1.9) | 0.3 | 45 | 541.8 | mcmrt | 19 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.2204 | 30 | 763.8 | mcmrt | 38 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 2), (2, 2), (15, 99), (17, 99), (18, 2), (20, 2)] | ('RP', 2.1, 105, 1.8) | 0.5 | 30 | 1,073.4 | mcmrt | 39 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 2,269.8 | mcmrt | 40 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 1,650 | mcmrt | 41 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265}], 'B': [{'CC#N': 100}, {'C(=O)O': 0.0265}]} | [(0, 5), (2, 5), (10, 40), (35, 100), (39, 100), (40, 5), (45, 5)] | ('RP', 4.6, 150, 5) | 1 | 30 | 2,294.4 | mcmrt | 42 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (1, 5), (7, 40), (14, 100), (18, 100), (18.1, 5), (20, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 937.8 | mcmrt | 12 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (1, 5), (7, 40), (14, 100), (18, 100), (18.1, 5), (20, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 876 | mcmrt | 13 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 1,204.8 | mcmrt | 14 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 1,122 | mcmrt | 15 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'CC(=O)[O-].[NH4+]': 0.005}], 'B': [{'CO': 100}, {'CC(=O)[O-].[NH4+]': 0.005}]} | [(0, 5), (2, 5), (6, 40), (20, 100), (25, 100), (26, 5), (30, 5)] | ('RP', 4.6, 150, 5) | 1 | 30 | 1,213.8 | mcmrt | 16 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CC#N': 100}, {}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.2204 | 30 | 673.2 | mcmrt | 20 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (10, 100), (12, 100), (12.1, 0), (15, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 666.6 | mcmrt | 21 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 1.7) | 0.2 | 30 | 1,427.4 | mcmrt | 22 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 1.9) | 0.3 | 30 | 1,336.8 | mcmrt | 23 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 2.2) | 0.2 | 30 | 1,461 | mcmrt | 24 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (24, 100), (27, 100), (27.1, 0), (30, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 1,387.2 | mcmrt | 25 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (38, 100), (42, 100), (42.1, 0), (45, 0)] | ('RP', 2.1, 100, 2.2) | 0.3 | 30 | 2,077.8 | mcmrt | 26 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 0), (2, 0), (4, 40), (15, 100), (18, 100), (18.1, 0), (21, 0)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 939.6 | mcmrt | 27 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (12, 40), (40, 100), (49, 100), (50, 1), (60, 1)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 2,138.4 | mcmrt | 28 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (12, 40), (40, 100), (49, 100), (50, 1), (60, 1)] | ('RP', 2.1, 50, 1.8) | 0.2 | 30 | 1,999.8 | mcmrt | 29 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.7) | 0.2204 | 40 | 768 | mcmrt | 30 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.22 | 30 | 767.4 | mcmrt | 31 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.22 | 30 | 805.8 | mcmrt | 32 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (5, 39), (21, 99), (25, 99), (25.1, 1), (30, 1)] | ('RP', 2.1, 100, 2.2) | 0.228 | 30 | 1,147.2 | mcmrt | 33 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (2, 1), (40, 40), (70, 100), (89, 100), (90, 1), (100, 1)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 3,897.6 | mcmrt | 34 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 5), (1, 5), (12, 40), (40, 100), (49, 100), (50, 5), (60, 5)] | ('RP', 4.6, 150, 5) | 0.2 | 30 | 2,191.2 | mcmrt | 35 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.005}]} | [(0, 5), (1, 5), (2, 40), (6, 100), (8, 100), (8.1, 5), (10, 5)] | ('RP', 2.1, 105, 1.8) | 0.2 | 30 | 486 | mcmrt | 36 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 90, 'CO': 10}, {'C(=O)O.[NH4+]': 0.005}], 'B': [{'CO': 100}, {'C(=O)O.[NH4+]': 0.005}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 2.2) | 0.2204 | 30 | 787.8 | mcmrt | 17 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 1), (1, 1), (3, 39), (14, 99), (16, 99), (16.1, 1), (21, 1)] | ('RP', 2.1, 100, 1.9) | 0.2204 | 30 | 769.8 | mcmrt | 18 |
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | {'A': [{'O': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}], 'B': [{'CO': 100}, {'C(=O)O': 0.0265, 'C(=O)O.[NH4+]': 0.004}]} | [(0, 12), (8, 95), (9, 100), (11, 100), (11.1, 12), (14, 12)] | ('RP', 2.1, 100, 1.9) | 0.3 | 45 | 531.6 | mcmrt | 19 |
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