0 B8R0.37 CC(C)C(C)(O)C(=O)O Q69152 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.37 CC(C)[C@@](C)(N)C(=O)O Q68939 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.37 CC(C)[C@](C)(N)C(=O)O Q68936 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.13 CN(C)C(C)(C)CN P36156 [1,0,0,0,0,0|3,0,0]=4 4 B7R0.16 CC(C)[C@@H](O)C(=O)O P40530 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.153 CC1(O)CC(N)C1(C)C P47095 [0,0,0,1,0,0|3,0,0]=4 6 B9R1.153 CC1(O)CC(O)C1(C)C P50837 [0,0,0,1,0,0|3,0,0]=4 7 B6R0.3 CC(C)C(C)NN P42479 [2,0,0,0,0,0|2,0,0]=4 8 B6R0.3 CC(C)C(O)CN P40479 [2,0,0,0,0,0|1,0,0]=3 9 B6R0.3 CC(C)[C@@H](N)CO L13788 [2,0,0,0,0,0|2,0,0]=4 10 B6R0.3 CCC(C)C(C)N O31127 [2,0,0,0,0,0|1,0,0]=3 11 B6R0.3 CCC(N)C(C)O L20519 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.7 CC(C)C(C)(C)N O32138 [2,0,0,0,0,0|1,0,0]=3 13 B6R0.8 CCC(C)(C)CO O30180 [2,0,0,0,0,0|2,0,0]=4 14 B6R0.2 CC(C)C[C@@H](C)O Q70085 [2,0,0,0,0,0|1,0,0]=3 15 B6R0.2 CC(N)CN(C)C P42731 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.2 C[C@@H](N)CN(C)C P38236 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.2 C[C@H](N)CN(C)C P35926 [2,0,0,0,0,0|2,0,0]=4 18 B8R0.12 C=CCC(C)(O)C(C)C O31225 [1,1,0,0,0,0|0,0,1]=3 19 B8R1.19 CC1(C)CCCC1N Q62001 [1,0,0,1,0,0|2,0,0]=4 20 B8R1.19 CC1(C)CCCC1O L20761 [1,0,0,1,0,0|2,0,0]=4 21 B8R1.19 CC1(C)CCC[C@@H]1N Q63826 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.19 CC1(C)CCC[C@@H]1O Q63828 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.19 CC1(C)CCC[C@H]1N Q63827 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.19 CC1(C)CCC[C@H]1O Q63829 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.19 CC1(F)CCCC1N Q54478 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.28 CC(C)(CO)C1CC1 L20131 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.28 CCC(C)(N)C1CC1 L20914 [1,0,0,1,0,0|1,0,0]=3 28 B8R1.58 CCC1(C)OCC1N Q55852 [1,0,0,1,0,0|1,0,0]=3 29 B8R1.63 CC(C)C1(CO)CC1 L14750 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.69 CC1(C)CNC1(C)C P45928 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.78 CC(C)C1(O)CNC1 H-8421 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.87 CC1(C)C(N)C1(C)C Q69622 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C P50610 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.31 CC(=O)[C@H]1CC[C@H]1C P45662 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.31 CC(C)C1OCC1N P50149 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.31 CC(O)C1CCC1F P45994 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.50 C[C@@H]1CC[C@@H](O)[C@H]1N Q53610 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.50 C[C@H]1CC[C@H](O)[C@@H]1N Q53609 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.560 CC1(C)CC(N)C(C)(C)C1 L13465 [0,0,0,1,0,1|2,0,0]=4 40 B10R1.560 CC1(C)CC(N)C(C)(C)C1 Q52095 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.114 CC1CNCC(C)C1(F)F Q57444 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.474 COC1(C)CC(N)C1(C)C P48632 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.474 COC1(C)CC(O)C1(C)C P48282 [0,1,0,1,0,0|2,0,0]=4 44 B8R0.23 CC(C)C(N)CN(C)C P36129 [1,0,0,0,0,1|2,0,0]=4 45 B8R0.23 CC(C)[C@@H](N)CN(C)C P37903 [1,0,0,0,0,1|2,0,0]=4 46 B8R0.23 CC(C)[C@H](N)CN(C)C P35834 [1,0,0,0,0,1|2,0,0]=4