0 B7R0.6 CC(=O)CCC(=O)C BC676318 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(=O)CNC(=O)C BC220001 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.6 CC(C)COC(=O)Cl BC226048 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.4 C(CC(=O)O)C#N BC670380 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 C(CC(=O)O)CBr BC219750 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.4 C(CC(=O)O)CN BC204189 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 C(\C=C\C(=O)O)O BC224091 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 C=CCCC(=O)O BC678220 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 CC(=O)OCCBr BC677702 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CC(C)CCCBr BC219799 [1,0,0,0,0,0|1,0,1]=3 13 B6R0.4 CN(C)CCCBr BC201788 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CN(C)CCCBr BC600124 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CN(C)CCCCl BC225643 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CN(C)CCCCl BC675427 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CN(C)CCCN BC206138 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CN(C)CCCO BC210758 [1,0,0,0,0,0|1,0,1]=3 19 B8R0.9 C(CC(=O)O)C(=O)CN BC205541 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.9 C(CC(=O)O)C(=O)CN BC210778 [0,1,0,0,0,0|1,0,1]=3 21 B8R0.9 CC(COC(=O)C=C)O BC222741 [0,1,0,0,0,0|3,0,0]=4 22 B8R0.23 C([C@@H](C(=O)O)O)C(=O)O BC676689 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.23 C([C@H](C(=O)O)O)C(=O)O BC208474 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.23 CC(=O)CC(C(=O)O)O BC657254 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.23 CC(C)CC(=O)C(=O)[O-] BC219743 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,1,0,0,0,0|0,0,0]=1 27 B8R1.3 C1CC(=O)CCC1=O BC207860 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.3 C1CC(=O)NCC1=O BC677922 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.3 C1CC(=O)NC[C@@H]1O BC659466 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.3 C1[C@@H](CC[C@H](C1)O)N BC207753 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.3 C1[C@@H](CC[C@H](C1)O)N BC684348 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,0,0,1,0,0|1,0,0]=2 33 B8R1.3 CC1CCC(CC1)N BC214314 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.3 CN1CCC(=O)CC1 BC205734 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.3 CN1CCC(CC1)O BC205735 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.23 C1C(CC1=O)C(=O)O BC225162 [0,0,0,1,0,0|1,0,1]=3 37 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.77 CC1(C[C@@H]1C(=O)N)C BC205635 [0,0,0,1,0,0|1,0,0]=2 40 B6R0.2 CC(=CC(=O)O)C BC200231 [0,0,0,0,1,0|0,0,2]=3 41 B6R0.2 CC(C)CC(=O)O BC677309 [0,0,0,0,1,0|0,0,0]=1 42 B6R0.2 CC(CC(=O)O)N BC233414 [0,0,0,0,1,0|1,0,0]=2 43 B6R0.2 CC(CC(=O)O)N BC675902 [0,0,0,0,1,0|1,0,0]=2 44 B6R0.2 CC(OC(=O)C)Br BC650646 [0,0,0,0,1,0|3,0,0]=4 45 B6R0.2 CN(C)CC(=O)Cl BC252135 [0,0,0,0,1,0|2,0,0]=3 46 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [0,0,0,0,1,0|1,0,0]=2 47 B6R0.2 C[C@H](CC(=O)O)N BC677178 [0,0,0,0,1,0|1,0,0]=2 48 B8R0.28 C(C(=O)O)NCC(=O)O BC657268 [0,0,0,0,0,1|2,0,1]=4 49 B8R0.28 CC(C)CCNC(=O)C BC600079 [0,0,0,0,0,1|1,0,0]=2 50 B8R0.28 CC(C)C[Al+]CC(C)C BC200546 [0,0,0,0,0,1|2,0,1]=4 51 B8R0.28 CN(C)C\C=C\C(=O)O BC225128 [0,0,0,0,0,1|1,0,1]=3 52 B5R0.1 C(CN)C(=O)O BC219368 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 C(CS)C(=O)O BC226809 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CC(C)N=C=O BC226288 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 CCCC(=[NH2+])N BC202602 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CCOC(=O)Cl BC222115 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CN(C)CCCl BC226043 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 C[C@H](CCO)O BC655806 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 C\C=C\C(=O)O BC206359 [2,0,0,0,0,0|0,0,2]=4 60 B5R0.2 C(CC=O)C=O BC222879 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.2 C(CCO)CN BC205259 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.2 C=CCCCBr BC202057 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.2 CC(C)C[C@@H](CO)N BC205071 [1,1,0,0,0,0|0,0,1]=3 64 B7R0.2 CCC(C)CC(C)C BC677965 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [1,1,0,0,0,0|0,0,0]=2 66 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [1,1,0,0,0,0|0,0,0]=2 68 B7R0.2 CN(C)CC(CO)O BC226763 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.3 CCCCC(=O)NN BC211453 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.3 COCCC(=O)OC BC210937 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.4 C(CCBr)CC(=O)Cl BC681280 [1,1,0,0,0,0|1,0,0]=3 72 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,1,0,0,0,0|0,0,0]=2 73 B7R0.4 C(CCO)CC(=O)[O-] BC621003 [1,1,0,0,0,0|0,0,1]=3 74 B7R0.5 C(CN)[C@@H](C(=O)O)O BC206932 [1,1,0,0,0,0|1,0,0]=3 75 B7R0.5 C(CO)[C@@H](C(=O)O)N BC675299 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.5 C(CO)[C@H](C(=O)O)N BC219582 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.5 COCC(C(=O)O)Cl BC686173 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.5 COCC(C(=O)O)N BC686174 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.5 COC[C@@H](C(=O)O)N BC679205 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.5 COC[C@H](C(=O)O)N BC679204 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.8 C(CP(=O)(O)O)CBr BC216415 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.9 C(C(=O)O)C(F)(F)F BC207572 [0,1,0,0,1,0|2,0,0]=4 84 B7R0.9 CC(=O)OC(C)(C)C BC207665 [0,1,0,0,1,0|2,0,0]=4 85 B7R0.9 CC(C)(C)CC(=O)Cl BC679579 [0,1,0,0,1,0|1,0,0]=3 86 B7R0.9 CC(C)(C)CC(=O)O BC200722 [0,1,0,0,1,0|0,0,0]=2 87 B7R0.9 CC(C)(CC(=O)O)N BC680642 [0,1,0,0,1,0|0,0,0]=2 88 B7R0.9 CC(O)C[C@@](O)(C)C BC206685 [0,1,0,0,1,0|1,0,1]=4 89 B7R0.9 C[N+](C)(C)CC(=O)[O-] BC653158 [0,1,0,0,1,0|1,0,1]=4 90 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,1,0,0,1,0|1,0,0]=3 91 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,1,0,0,1,0|1,0,0]=3 92 B9R0.7 CC(=O)OC[C@@H](C(=O)O)N BC657158 [0,1,0,0,0,1|1,0,1]=4 93 B9R0.7 CC(C)CC[C@@H](C(=O)O)N BC679179 [0,1,0,0,0,1|0,0,0]=2 94 B9R0.7 CC(C)CC[C@H](C(=O)O)N BC679178 [0,1,0,0,0,1|0,0,0]=2 95 B9R0.56 C[N+](C)(C)CCOC(=O)N BC224240 [0,1,0,0,0,1|2,0,0]=4 96 B9R0.42 COC(=O)CC(C(=O)O)N BC215082 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.42 COC(=O)C[C@H](C(=O)O)N BC204898 [0,2,0,0,0,0|1,0,1]=4 98 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N BC676889 [0,2,0,0,0,0|0,0,0]=2 99 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O BC679186 [0,2,0,0,0,0|0,0,0]=2 100 B9R0.79 C[C@H]([C@@H](C(=O)O)N)C(C)O BC684916 [0,2,0,0,0,0|1,0,0]=3 101 B7R1.2 C1CC(=O)OC1=O BC676904 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.2 C1C[C@@H](C[C@H]1N)O BC243140 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.2 C1C[C@H](C[C@@H]1N)O BC666823 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.2 C1C[C@H](C[C@H]1N)O BC243224 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.2 C1[C@@H](CNC1=O)O BC206869 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.2 C1[C@H](CNC1=O)O BC676893 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 CC1=CC(=O)CC1 BC243785 [1,0,0,1,0,0|0,0,2]=4 108 B7R1.2 CC1=CCC(=O)O1 BC205542 [1,0,0,1,0,0|0,0,2]=4 109 B7R1.2 CN1CCC(C1)O BC202129 [1,0,0,1,0,0|1,0,1]=4 110 B7R1.3 C1CC(=O)CNC1 BC677163 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.3 C1CC(COC1)O BC666036 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.3 C1CCC(=O)CC1 BC214118 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.3 C1CCNC(C1)O BC219297 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 C1CNC(=O)CN1 BC204568 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.3 C1CNCCC1=O BC222569 [1,0,0,1,0,0|2,0,0]=4 116 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,1,0,0|1,0,0]=3 117 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,1,0,0|1,0,0]=3 118 B7R1.3 C1COCCC1=O BC210699 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.3 CC1CCNCC1 BC208968 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.3 CC1COCCN1 BC678917 [1,0,0,1,0,0|1,0,1]=4 121 B7R1.3 C[C@@H]1COCCN1 BC239042 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.3 C[C@@H]1COCCN1 BC640295 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.3 C[C@H]1CCCNC1 BC208984 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.14 C1CCS(=O)(=O)C1 BC200816 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.18 C1C(CN1)C(=O)O BC202058 [1,0,0,1,0,0|1,0,0]=3 126 B7R1.18 C1C(CN1)C(=O)O BC225187 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [1,0,0,1,0,0|1,0,0]=3 128 B7R1.18 C1COC1C(=O)O BC653175 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.20 C1CC1CC(=O)O BC205620 [1,0,0,1,0,0|0,0,0]=2 130 B9R1.35 C1CC(=O)CC1C(=O)O BC223612 [0,0,0,1,0,1|1,0,1]=4 131 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)F BC678396 [0,0,0,1,0,1|1,0,0]=3 132 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O BC228051 [0,0,0,1,0,1|1,0,0]=3 133 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)S BC649894 [0,0,0,1,0,1|1,0,0]=3 134 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC211262 [0,0,0,1,0,1|1,0,0]=3 135 B9R1.35 C1[C@@H](CN[C@H]1C(=O)O)O BC600062 [0,0,0,1,0,1|1,0,0]=3 136 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O BC638831 [0,0,0,1,0,1|1,0,1]=4 137 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)F BC207720 [0,0,0,1,0,1|1,0,0]=3 138 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O BC205527 [0,0,0,1,0,1|1,0,0]=3 139 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC202599 [0,0,0,1,0,1|1,0,0]=3 140 B9R1.35 C1[C@H](CN[C@H]1C(=O)O)O BC676715 [0,0,0,1,0,1|1,0,0]=3 141 B9R1.35 CC1CC[C@H](N1)C(=O)O BC209434 [0,0,0,1,0,1|1,0,0]=3 142 B9R1.49 CN1CCC(=O)NCC1 BC220706 [0,0,0,1,0,1|2,0,0]=4 143 B9R1.1 CCN1CCC(=O)CC1 BC683778 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.10 C1CC(CCC1=O)(F)F BC668157 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.69 CC1CN(CCC1=O)C BC208022 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.133 CC1(OC[C@@H](O1)C=O)C BC675597 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.133 CC1(OC[C@H](O1)C=O)C BC201682 [0,1,0,1,0,0|1,0,1]=4 148 B5R0.5 CC(=C)C(=O)O BC675577 [0,0,0,0,2,0|0,0,2]=4 149 B5R0.5 CC(=O)C(=O)O BC216002 [0,0,0,0,2,0|1,0,1]=4 150 B5R0.5 CC(=O)N(C)C BC204203 [0,0,0,0,2,0|2,0,0]=4 151 B5R0.5 CC(C(=O)C)Br BC202460 [0,0,0,0,2,0|2,0,0]=4 152 B5R0.5 CC(C(=O)O)Br BC226871 [0,0,0,0,2,0|1,0,0]=3 153 B5R0.5 CC(C)N(=O)=O BC224337 [0,0,0,0,2,0|1,0,1]=4 154 B5R0.5 C[C@@H](C(=O)N)N BC678137 [0,0,0,0,2,0|2,0,0]=4 155 B5R0.5 C[C@@H](C(=O)O)N BC677968 [0,0,0,0,2,0|1,0,0]=3 156 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,0,0,0,2,0|1,0,0]=3