0 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,1,0,0,0,0|2,0,1]=4 2 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N 31660 [0,0,0,1,0,0|3,0,0]=4 3 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,0,0,1,0,0|1,0,1]=3 4 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3555 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P14104 [0,0,0,1,0,0|1,0,1]=3 15 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19391 [0,0,0,1,0,0|2,0,1]=4 16 B9R0.42 C=C(C)C(=O)O[C@@H](C)CO D93504 [0,0,0,0,0,1|3,0,0]=4 17 B6R0.4 O=C(O)\C=C\CF AT12709 [2,0,0,0,0,0|1,0,1]=4 18 B6R0.4 O=C(O)\C=C\CO AT11505 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.3 C=CC(=O)C(=O)O AC9460 [2,0,0,0,0,0|0,0,2]=4 20 B6R0.3 CC(C)C(=O)CN AT23528 [2,0,0,0,0,0|1,0,1]=4 21 B6R0.3 C[C@@H](CN)C(=O)O 31999 [2,0,0,0,0,0|1,0,0]=3 22 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|1,0,1]=4 23 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [1,1,0,0,0,0|1,0,1]=4 24 B8R0.34 CC(C)(CN)CC(=O)O C11423 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.18 CO[C@H](C(=O)O)C(C)C 96142 [1,1,0,0,0,0|0,0,2]=4 27 B8R0.27 CC(C)(F)[C@H](N)C(=O)O D79269 [1,1,0,0,0,0|1,0,1]=4 28 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,1,0,0|1,0,0]=3 29 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,1,0,0|0,0,1]=3 32 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.31 O=C(O)C1CCC1F P19066 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [1,0,0,1,0,0|1,0,1]=4 35 B8R1.43 O=C(O)C1CC1CF P19356 [1,0,0,1,0,0|1,0,1]=4 36 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [1,0,0,1,0,0|1,0,1]=4 37 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [1,0,0,1,0,0|1,0,1]=4 38 B8R1.78 O=C(O)C1(F)CCC1 85747 [1,0,0,1,0,0|1,0,1]=4 39 B8R1.38 O=C(CCl)C1CCC1 P19145 [1,0,0,1,0,0|1,0,1]=4 40 B10R1.25 CCN1CCC(=O)CC1=O 32716 [0,0,0,1,0,1|2,0,0]=4 41 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,0,0,1,0,1|2,0,0]=4 42 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,0,0,1,0,1|2,0,0]=4 43 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,1,0,1,0,0|1,0,1]=4 44 B10R1.495 CC1([C@H](N)C(=O)O)COC1 P15965 [0,1,0,1,0,0|1,0,1]=4 45 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O P15975 [0,1,0,1,0,0|1,0,1]=4 46 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30667 [0,1,0,1,0,0|1,0,1]=4 47 B10R2.344 O=C(O)C12CCCC1C2 D96790 [0,0,0,2,0,0|1,0,1]=4 48 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P15778 [0,0,0,2,0,0|1,0,1]=4 49 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 P15783 [0,0,0,2,0,0|1,0,1]=4 50 B10R2.358 O=C(O)[C@H]1CCC12CC2 P20291 [0,0,0,2,0,0|1,0,1]=4 51 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O C15199 [0,0,0,0,0,2|2,0,0]=4