0 B6R0.1 CC[C@H](N)CC#N Y13628 [1,0,0,0,0,0|2,0,1]=4 1 B6R0.2 C[C@H](O)CN(C)C AT22519 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.2 O=C(O)CC(F)F P18472 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.4 O=C(O)\C=C\CF AT12709 [1,0,0,0,0,0|1,0,2]=4 4 B6R0.4 O=C(O)\C=C\CO AT11505 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O F20773 [0,1,0,0,0,0|1,0,0]=2 6 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [0,1,0,0,0,0|1,0,0]=2 7 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [0,1,0,0,0,0|1,0,0]=2 8 B8R0.34 CC(C)(CN)CC(=O)O C11423 [0,1,0,0,0,0|1,0,0]=2 9 B8R1.1 C#C[C@@H]1COC(=O)N1 68852 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.1 C=C[C@@H]1COC(=O)C1 C12022 [0,0,0,1,0,0|0,0,2]=3 11 B8R1.1 C=C[C@@H]1COC(=O)N1 54688 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.1 C=C[C@@H]1COC(=O)N1 54690 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [0,0,0,1,0,0|1,0,0]=2 14 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [0,0,0,1,0,0|2,0,0]=3 15 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.1 O=C1C[C@H](CO)CO1 72726 [0,0,0,1,0,0|1,0,0]=2 18 B8R1.1 O=C1NC[C@H](CO)O1 P14223 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38753 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 C[C@H]1C[C@@H](O)CCN1 38754 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.4 N[C@@H]1CCC[C@H](O)C1 AT10758 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 N[C@@H]1CCC[C@H](O)C1 D77153 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.4 N[C@@H]1COCC(=O)C1 91465 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 N[C@H]1CCC[C@H](O)C1 C73496 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.31 CC1CCC1C(=O)O D96793 [0,0,0,1,0,0|0,0,0]=1 29 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P16380 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.31 O=C(O)C1CCC1F P19066 [0,0,0,1,0,0|1,0,0]=2 31 B8R1.34 O=C(O)C[C@H]1CCO1 P19430 [0,0,0,1,0,0|1,0,0]=2 32 B8R1.43 O=C(O)C1CC1CF P19356 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.51 N[C@H]1CCS(=O)(=O)C1 C12957 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.53 CC1(O)CC(CN)C1 P18525 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 P13515 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.53 C[C@]1(O)C[C@H](CN)C1 P18526 [0,0,0,1,0,0|2,0,1]=4 37 B6R0.3 C=C[C@H](N)C(=O)O F31036 [0,0,0,0,1,0|1,0,2]=4 38 B6R0.3 C[C@@H](CN)C(=O)O 31999 [0,0,0,0,1,0|1,0,0]=2 39 B6R0.3 N[C@H](CS)S(=O)O D72263 [0,0,0,0,1,0|3,0,0]=4 40 B8R0.9 C=C[C@@H](N)CCC(=O)O 20252 [0,0,0,0,0,1|1,0,2]=4 41 B8R0.9 C=C[C@@H](N)CCC(=O)O 33474 [0,0,0,0,0,1|1,0,2]=4 42 B8R0.9 C=C[C@@H](N)CCC(=O)O D87124 [0,0,0,0,0,1|1,0,2]=4 43 B5R0.1 C=CC[C@H](C)N D84793 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CN(C)NC=O 20013 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.2 N#CCCC=O F20778 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.3 C=C[C@@H](N)CC 68012 [2,0,0,0,0,0|1,0,1]=4 47 B7R0.11 CCC(C)(C)CC=O Y14611 [1,1,0,0,0,0|0,0,0]=2 48 B7R0.11 C[C@@](O)(CO)CCO A11223 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.4 CC(=O)OCCCO Y14698 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.6 O=C(O)COC(F)F 89985 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.13 C[C@](N)(CO)C(=O)O F15126 [0,1,0,0,1,0|1,0,0]=3 52 B7R0.13 NCC(F)(F)C(=O)O AC6133 [0,1,0,0,1,0|2,0,0]=4 53 B7R0.15 CN[C@@H](CS)C(=O)O AC8363 [0,1,0,0,1,0|1,0,0]=3 54 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O 25814 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.34 CCOC(=O)C[C@@H](N)CC Y13948 [0,2,0,0,0,0|1,0,0]=3 58 B9R0.34 CCOC(=O)C[C@@H](O)CC D96332 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.53 CC(C)C[C@H](O)CC(=O)O D96477 [0,2,0,0,0,0|1,0,0]=3 60 B9R0.10 CC(=O)C[C@H](C)C(F)(F)F P20077 [0,2,0,0,0,0|2,0,0]=4 61 B7R1.1 CC[C@H]1CCNC1 P14868 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.2 C[C@@H]1COC(=O)C1 64712 [1,0,0,1,0,0|1,0,0]=3 63 B7R1.2 C[C@@H]1COC(=O)C1 69011 [1,0,0,1,0,0|1,0,0]=3 64 B7R1.2 C[C@@H]1C[C@H](O)CN1 W10042 [1,0,0,1,0,0|1,0,1]=4 65 B7R1.2 C[C@H]1C[C@H](O)CN1 P15836 [1,0,0,1,0,0|1,0,1]=4 66 B7R1.2 C[C@H]1C[C@H](O)CN1 W10041 [1,0,0,1,0,0|1,0,1]=4 67 B7R1.2 N[C@@H]1CCC(=O)N1 D72820 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.2 N[C@@H]1CNC(=O)C1 P12719 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.2 N[C@H]1CC[C@H](O)C1 31095 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.2 N[C@H]1CC[C@H](O)C1 P11035 [1,0,0,1,0,0|1,0,1]=4 71 B7R1.2 N[C@H]1CC[C@H](O)C1 W10025 [1,0,0,1,0,0|1,0,1]=4 72 B7R1.2 O[C@H]1CC[C@H](O)C1 P18410 [1,0,0,1,0,0|1,0,1]=4 73 B7R1.4 C[C@@H]1OCC[C@@H]1N 73023 [1,0,0,1,0,0|1,0,1]=4 74 B7R1.6 OCC[C@H]1CCO1 D84844 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.6 OCC[C@H]1CCO1 P19429 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.8 OCC1CCC1F P19725 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.8 OCC1CCC1O P20965 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.10 CO[C@H]1C[C@@H](O)C1 W15861 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.10 CO[C@H]1C[C@H](O)C1 C77446 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.10 O=C1C[C@H](CI)N1 W18669 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.10 O=C1C[C@H](CO)N1 AT19035 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.10 O=C1C[C@H](CO)N1 AT19036 [1,0,0,1,0,0|2,0,0]=4 83 B7R1.21 NC1(CCO)CC1 50078 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.25 C[C@]1(CO)CCO1 CS1015 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O 55219 [1,0,0,1,0,0|0,0,0]=2 86 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P17920 [1,0,0,1,0,0|0,0,0]=2 87 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3132 [1,0,0,1,0,0|1,0,0]=3 88 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I D79124 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P14126 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.18 O=C(O)[C@@H]1CCO1 P18794 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.18 O=C(O)[C@@H]1CCO1 P18795 [1,0,0,1,0,0|1,0,0]=3 92 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,1,0,1|0,0,0]=2 93 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 H11003 [0,0,0,1,0,1|1,0,0]=3 94 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 D97082 [0,0,0,1,0,1|1,0,0]=3 95 B9R1.35 O=C(O)[C@@H]1CC[C@H](O)C1 P19451 [0,0,0,1,0,1|1,0,0]=3 96 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 P17325 [0,0,0,1,0,1|2,0,0]=4 97 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 P12403 [0,0,0,1,0,1|1,0,1]=4 98 B9R1.49 N[C@H]1CCCC(=O)NC1 F19780 [0,0,0,1,0,1|2,0,0]=4 99 B9R1.69 C[C@@H]1OC(=O)COC1=O D75679 [0,0,0,1,0,1|1,0,1]=4 100 B9R1.95 N#CC1CC(C(=O)O)C1 86884 [0,0,0,1,0,1|1,0,1]=4 101 B9R1.95 NC[C@H]1C[C@@H](C(=O)O)C1 D77011 [0,0,0,1,0,1|1,0,0]=3 102 B9R1.37 C[C@H]1CN(O)C(=O)[C@H]1N 31660 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [0,1,0,1,0,0|0,0,0]=2 104 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [0,1,0,1,0,0|0,0,0]=2 105 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O 51134 [0,1,0,1,0,0|1,0,0]=3 106 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F P19512 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P12195 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F D76328 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F P21065 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P19954 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P15218 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.110 N[C@H](C(=O)O)C1COC1 CS3555 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P14104 [0,1,0,1,0,0|0,0,0]=2 116 B9R1.111 N[C@H](C(=O)O)C1(O)CC1 AT19391 [0,1,0,1,0,0|1,0,0]=3 117 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 P12608 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [0,1,0,1,0,0|0,0,0]=2 119 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 P18693 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.2 O=C1COC[C@H](CO)N1 AT10102 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.161 O=C(O)C1CC1C(F)F P19011 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F P19173 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F P20099 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.166 CC1(C)CC[C@@H]1C(=O)O W15641 [0,1,0,1,0,0|0,0,0]=2 126 B9R1.166 CC1(C)CN[C@@H]1C(=O)O D79163 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.166 O=C(O)[C@H]1CCC1(F)F P10782 [0,1,0,1,0,0|1,0,0]=3 128 B9R2.139 O=C1CC2(CC2)CN1 87107 [0,0,0,2,0,0|1,0,0]=3 129 B9R2.139 O=C1CCC2(CC2)C1 P20949 [0,0,0,2,0,0|1,0,0]=3 130 B9R2.139 O=C1NC2(CC2)CO1 F30496 [0,0,0,2,0,0|1,0,0]=3 131 B9R2.139 O[C@H]1CCC2(CC2)C1 P19906 [0,0,0,2,0,0|1,0,1]=4 132 B9R2.8 O=C1CC2CC(C1)C2 P20287 [0,0,0,2,0,0|1,0,0]=3 133 B9R2.138 O=C1CC2(CSC2)C1 38218 [0,0,0,2,0,0|2,0,0]=4