0 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,1,0,0,0,0|1,0,0]=2 2 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,0,0,1,0,0|0,0,0]=1 3 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,0,0,1,0,0|1,0,0]=2 5 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,0,0,1,0,0|1,0,0]=2 8 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,0,0,1,0,0|1,0,0]=2 9 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,0,0,1,0,0|1,0,0]=2 11 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3555 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P14104 [0,0,0,1,0,0|0,0,0]=1 14 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19391 [0,0,0,1,0,0|1,0,0]=2 15 B6R0.2 O=C(O)CC(F)F P18472 [2,0,0,0,0,0|2,0,0]=4 16 B6R0.3 C=C[C@H](N)C(=O)O F31036 [2,0,0,0,0,0|0,0,2]=4 17 B6R0.3 CC(C)[C@@H](N)CO Y13602 [2,0,0,0,0,0|0,0,1]=3 18 B6R0.3 C[C@@H](CN)C(=O)O 31999 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.3 N[C@H](CS)S(=O)O D72263 [2,0,0,0,0,0|2,0,0]=4 20 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|1,0,0]=3 21 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [1,1,0,0,0,0|1,0,0]=3 22 B8R0.34 CC(C)(CN)CC(=O)O C11423 [1,1,0,0,0,0|1,0,0]=3 23 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [1,1,0,0,0,0|0,0,0]=2 24 B8R0.18 CO[C@H](C(=O)O)C(C)C 96142 [1,1,0,0,0,0|1,0,0]=3 25 B8R0.27 CC(C)(F)[C@H](N)C(=O)O D79269 [1,1,0,0,0,0|0,0,0]=2 26 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [1,0,0,1,0,0|0,0,2]=4 27 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,1,0,0|1,0,0]=3 28 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,0,0,1,0,0|1,0,0]=3 32 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,1,0,0|0,0,0]=2 35 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.31 O=C(O)C1CCC1F P19066 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.43 O=C(O)C1CC1CF P19356 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.19 C[C@]1(O)CCC[C@@H]1N D84856 [1,0,0,1,0,0|1,0,1]=4 40 B8R1.23 C[C@@H]1C[C@@H](C(=O)O)N1 P20785 [1,0,0,1,0,0|0,0,0]=2 41 B8R1.23 C[C@H]1C[C@@H](C(=O)O)N1 D96843 [1,0,0,1,0,0|0,0,0]=2 42 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 P16657 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 P16826 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.78 O=C(O)C1(F)CCC1 85747 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.78 O=C(O)C1(F)CNC1 38639 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.78 O=C(O)C1(O)COC1 P17225 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.11 CC1CCCC1CO 72730 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.11 OC[C@H]1NCC[C@@H]1O 95527 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.38 N[C@@H](CO)C1CCC1 D85247 [1,0,0,1,0,0|0,0,1]=3 50 B8R1.38 N[C@@H](CO)C1CCC1 N11336 [1,0,0,1,0,0|0,0,1]=3 51 B8R1.38 N[C@@H](CO)C1CCC1 Y14566 [1,0,0,1,0,0|0,0,1]=3 52 B8R1.50 CC1CCC(C)C1N F12413 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.77 CC1(C)C[C@@H]1C(N)=O P18982 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C P15812 [0,0,0,1,0,1|2,0,0]=4 55 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C P18711 [0,0,0,1,0,1|2,0,0]=4 56 B10R1.113 CC1CNCC(C(=O)O)C1 D78840 [0,0,0,1,0,1|2,0,0]=4 57 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19966 [0,0,0,1,0,1|2,0,0]=4 58 B10R1.113 C[C@@H]1CNC[C@@H](C(=O)O)C1 P19967 [0,0,0,1,0,1|2,0,0]=4 59 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19965 [0,0,0,1,0,1|2,0,0]=4 60 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 P19968 [0,0,0,1,0,1|2,0,0]=4 61 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 C72340 [0,0,0,1,0,1|1,0,0]=3 62 B10R1.113 O=C(O)[C@H]1CCC[C@H](O)C1 P19276 [0,0,0,1,0,1|2,0,0]=4 63 B10R1.59 CN1C[C@H](F)C[C@H]1C(=O)O 93284 [0,1,0,1,0,0|2,0,0]=4 64 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 P15809 [0,1,0,1,0,0|2,0,0]=4 65 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,1,0,1,0,0|0,0,0]=2 66 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,1,0,1,0,0|2,0,0]=4 67 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,1,0,1,0,0|2,0,0]=4 68 B10R1.495 CC1([C@H](N)C(=O)O)COC1 P15965 [0,1,0,1,0,0|0,0,0]=2 69 B10R1.182 COC(=O)[C@@H](N)C1COC1 93233 [0,1,0,1,0,0|1,0,0]=3 70 B10R1.354 CC(C)(C(=O)O)C1CNC1 P14779 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.165 CCC1CN(C)[C@@H]1C(=O)O P15975 [0,1,0,1,0,0|0,0,0]=2 72 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O P20518 [0,1,0,1,0,0|2,0,0]=4 73 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O F30667 [0,1,0,1,0,0|0,0,0]=2 74 B10R1.128 O=C(O)[C@H]1OCCC1(F)F D79611 [0,1,0,1,0,0|2,0,0]=4 75 B10R1.128 O=C(O)[C@H]1OCCC1(F)F D79612 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.128 O=C(O)[C@H]1OCCC1(F)F D97083 [0,1,0,1,0,0|2,0,0]=4 77 B10R2.344 O=C(O)C12CCCC1C2 D96790 [0,0,0,2,0,0|1,0,0]=3 78 B10R2.344 O=C(O)C12CCNC1C2 91926 [0,0,0,2,0,0|2,0,0]=4 79 B10R2.344 O=C(O)C12CNCC1C2 38335 [0,0,0,2,0,0|2,0,0]=4 80 B10R2.355 O=C(O)[C@H]1NC[C@@H]2C[C@H]12 P15778 [0,0,0,2,0,0|0,0,0]=2 81 B10R2.355 O=C(O)[C@H]1NC[C@H]2C[C@H]21 P15783 [0,0,0,2,0,0|0,0,0]=2 82 B10R2.358 O=C(O)[C@H]1CCC12CC2 P20291 [0,0,0,2,0,0|1,0,0]=3 83 B10R2.638 O=C(O)[C@H]1CC12COC2 P19485 [0,0,0,2,0,0|2,0,0]=4