0 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [1,0,0,0,0,0|1,0,1]=3 4 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [1,0,0,0,0,0|0,0,2]=3 5 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [1,0,0,0,0,0|0,0,2]=3 6 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [1,0,0,0,0,0|1,1,1]=4 7 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.35 O=C1CC[C@H](C(F)F)C1 W19610 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.132 CN1C(=O)CC[C@@H]1CN 94191 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.132 CN1C(=O)CC[C@@H]1CN 94192 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.822 O=C(O)[C@H]1NC[C@@H]2CC[C@H]12 P18292 [0,0,0,1,0,0|2,0,1]=4 22 B11R2.822 O=C(O)[C@H]1NC[C@H]2CC[C@H]21 P18187 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.166 C[C@H]1CC(=O)CC[C@@H]1C(=O)O P18309 [0,0,0,0,0,1|0,0,0]=1 24 B8R0.28 NC(=O)CNCC(=O)O A10558 [1,0,1,0,0,0|2,0,0]=4 25 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [1,0,1,0,0,0|2,0,0]=4 27 B8R0.18 CO[C@H](C(=O)O)C(C)C 96142 [1,0,1,0,0,0|1,0,1]=4 28 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [2,0,0,0,0,0|2,0,0]=4 29 B8R1.1 O=C1C[C@H](CO)CO1 72726 [2,0,0,0,0,0|1,0,1]=4 30 B8R1.7 NC(=O)[C@H]1CCNC1 30954 [2,0,0,0,0,0|2,0,0]=4 31 B8R1.7 O=C(O)C1CSSC1 D82957 [2,0,0,0,0,0|2,0,0]=4 32 B8R1.11 CC1CCCC1CO 72730 [2,0,0,0,0,0|0,0,2]=4 33 B8R1.11 C[C@@H]1NCC[C@@H]1CO 73106 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.11 C[C@@H]1OCC[C@@H]1CO 73087 [2,0,0,0,0,0|1,0,1]=4 35 B10R0.46 COC(=O)C[C@H](S)C(=O)OC AT10932 [0,1,1,0,0,0|2,0,0]=4 36 B10R1.14 COC(=O)C1CCC(Br)C1 P10074 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 C77356 [1,1,0,0,0,0|1,0,0]=3 38 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AT22316 [1,1,0,0,0,0|0,0,2]=4 39 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 P20482 [1,1,0,0,0,0|0,0,2]=4 40 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 W11287 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 W11289 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P13550 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.58 O=C1N[C@@H](C(=O)O)C[C@@H]1F P21044 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13554 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 P13555 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30667 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O P20518 [0,1,0,0,1,0|1,0,1]=4 48 B12R1.1579 CCOC(=O)N1CCC(=O)[C@@H]1C C76331 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 C90647 [0,0,1,1,0,0|1,0,1]=4 50 B10R1.54 O=C(O)C[C@@H]1CC[C@H](O)C1 P19536 [0,0,1,1,0,0|0,0,2]=4 51 B10R1.408 COC(=O)[C@H]1C[C@H]1C(=O)O P19533 [0,0,1,1,0,0|1,0,0]=3 52 B10R1.25 CCN1CCC(=O)CC1=O 32716 [0,0,1,1,0,0|2,0,0]=4 53 B10R1.477 CC[C@@]1(C(=O)O)CCCN1 D77246 [0,0,1,1,0,0|1,0,1]=4 54 B10R2.344 O=C(O)C12CCCC1C2 D96790 [1,0,0,1,0,0|0,0,1]=3 55 B10R2.344 O=C(O)C12CCNC1C2 91926 [1,0,0,1,0,0|1,0,0]=3 56 B10R2.344 O=C(O)C12CNCC1C2 38335 [1,0,0,1,0,0|1,0,1]=4 57 B12R2.1145 O=C(O)C1CC2CC1C(=O)O2 C11668 [0,0,0,1,0,1|0,0,0]=2 58 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [1,0,0,0,1,0|1,0,1]=4 59 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [1,0,0,0,1,0|1,0,1]=4 60 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,0,1,0|1,0,1]=4 61 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [1,0,0,0,1,0|1,0,1]=4 62 B8R1.31 O=C(O)C1CCC1F P19066 [1,0,0,0,1,0|1,0,1]=4 63 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [1,0,0,0,0,1|1,0,1]=4 64 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [1,0,0,0,0,1|1,0,1]=4 65 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [1,0,0,0,0,1|1,0,1]=4 66 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [1,0,0,0,0,1|1,0,1]=4 67 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [1,0,0,0,0,1|1,0,1]=4 68 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 C72340 [1,0,0,0,0,1|0,0,2]=4 69 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [1,0,0,0,0,1|0,0,2]=4 70 B10R1.2 CN1C(=O)COC[C@@H]1CO 56558 [1,0,0,0,0,1|1,0,1]=4