0 B7R0.6 C=C(C)CCC(=O)O CS16527 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)CCC(=O)O CS18688 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.6 CC(=O)NCC(=O)O CS19131 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(C)CCC(=O)Cl MC20895 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(N)CCC(=O)O MC435302 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CN(C)CCC(=O)O CS12169 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 O=C(O)C#CC(=O)O MC20681 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.6 O=C(O)CC[N+](=O)[O-] MC442448 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.6 O=C([O-])CCC(=O)[O-] MC34018 [0,0,0,0,0,0|0,0,2]=2 9 B6R0.4 C#CCCC(=O)Cl MC106035 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 C#CCCC(=O)O MC428029 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.4 C#CCCC(N)=O MC106194 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 C=CCCC(=O)O CS15216 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CC(=O)CCCBr CS10305 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.4 CC(=O)CCCCl CS10334 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CC(C)CCC=O MC428026 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 N#CCCC(=O)O CS22262 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 NCCCC(=O)O CS14998 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.4 NCCCC(N)=O MC112262 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 O=C(O)CCCBr CS14053 [1,0,0,0,0,0|1,0,1]=3 23 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,1,0,0,0,0|3,0,0]=4 24 B8R0.9 COC(=O)CCC(=O)O CS11694 [0,1,0,0,0,0|0,0,0]=1 25 B8R0.9 COC(=O)CCS(=O)[O-] CS11954 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.9 NCC(=O)CCC(=O)O CS10222 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.9 NCC(=O)CCC(=O)O MC34214 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.9 O=C(O)CNC(=O)CCl MC436845 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.23 C=C(C)CC(N)C(=O)O MC436932 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.23 CC(=O)NC(C)C(=O)O MC436012 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(=O)NC(C)C(=O)O MC436013 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(=O)NC(C)C(=O)O MC436014 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(=O)NC(C)C(N)=O MC436017 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.23 CC(C)C(C)CC(=O)O MC112320 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.23 CC(C)CC(Br)C(=O)O CS14792 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.23 CC(C)CC(N)C(=O)O CS18600 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.23 CC(C)CC(N)C(=O)O CS18604 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 CC(C)CC(N)C(=O)O CS22248 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.23 CC(C)CC(O)C(=O)O MC426019 [0,1,0,0,0,0|2,0,1]=4 40 B8R0.23 CC(C)CC(O)C(=O)O MC437768 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.23 CC(C)CC(O)C(=O)O MC446675 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.23 CC(NC(=N)N)C(=O)O MC435604 [0,1,0,0,0,0|3,0,0]=4 43 B8R0.23 CC(NC(N)=O)C(=O)O MC436835 [0,1,0,0,0,0|2,0,0]=3 44 B8R0.23 NC(=O)C(N)CC(=O)O MC436247 [0,1,0,0,0,0|1,0,0]=2 45 B8R0.23 NC(=O)C(N)CC(=O)O MC436248 [0,1,0,0,0,0|1,0,0]=2 46 B8R0.23 NC(=O)CC(N)C(=O)O CS19152 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.23 NC(=O)CC(N)C(=O)O MC436231 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.23 NC(=O)CC(N)C(N)=O MC436234 [0,1,0,0,0,0|2,0,0]=3 49 B8R0.23 NC(CC(=O)O)C(=O)O CS18065 [0,1,0,0,0,0|0,0,0]=1 50 B8R0.23 NC(CC(=O)O)C(=O)O MC436244 [0,1,0,0,0,0|0,0,0]=1 51 B8R0.23 NC(CC(=O)[O-])C(=O)[O-] MC439204 [0,1,0,0,0,0|0,0,2]=3 52 B8R0.23 O=C(O)CC(O)C(=O)O CS11286 [0,1,0,0,0,0|0,0,0]=1 53 B8R0.23 O=C(O)CC(O)C(=O)O MC20429 [0,1,0,0,0,0|0,0,0]=1 54 B8R0.29 NS(=O)(=O)CCC(=O)O CS14468 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.29 O=C(O)CCC(F)(F)F CS22479 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.23 C=C1CC(C(=O)O)C1 MC444295 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.23 CC1CC(C(=O)O)C1 CS15188 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.23 CC1CC(C(=O)O)C1 MC101958 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.23 CC1CC(C(=O)O)C1 MC101959 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.23 CN1CC(C(=O)O)C1 MC444119 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.23 NC1CC(C(=O)O)C1 CS15871 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.23 NC1CC(C(=O)O)C1 CS18457 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.23 NC1CC(C(=O)O)C1 MC100079 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.23 NC1CC(C(=O)O)C1 MC10550 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.23 NC1CC(C(=O)O)C1 MC444597 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.23 O=C(O)C1CC(Cl)C1 MC444263 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.23 O=C(O)C1CC(F)C1 MC121085 [0,0,0,1,0,0|2,0,1]=4 72 B8R1.23 O=C(O)C1CC(O)C1 CS13147 [0,0,0,1,0,0|1,0,1]=3 73 B8R1.23 O=C(O)C1CC(O)C1 MC102155 [0,0,0,1,0,0|1,0,1]=3 74 B8R1.23 O=C(O)C1CC(O)C1 MC104924 [0,0,0,1,0,0|1,0,1]=3 75 B8R1.23 O=C1CC(C(=O)O)C1 CS18894 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,1,0,0|1,0,0]=2 77 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.51 O=C1CCS(=O)(=O)C1 CS20460 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.77 O=C(O)C1CC1(F)Cl MC425307 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.77 O=C(O)C1CC1(F)F MC429774 [0,0,0,1,0,0|2,0,1]=4 82 B6R0.2 CC(Br)CC(=O)O MC106689 [0,0,0,0,1,0|2,0,1]=4 83 B6R0.2 CC(C)=CC(=O)O CS14947 [0,0,0,0,1,0|2,0,1]=4 84 B6R0.2 CC(N)CC(=O)O CS19028 [0,0,0,0,1,0|2,0,1]=4 85 B6R0.2 CC(N)CC(=O)O CS20346 [0,0,0,0,1,0|2,0,1]=4 86 B6R0.2 CC(N)CC(=O)O MC439098 [0,0,0,0,1,0|2,0,1]=4 87 B6R0.2 CC(O)CC(=O)O MC426020 [0,0,0,0,1,0|1,0,1]=3 88 B6R0.2 CC(O)CC(=O)O MC426021 [0,0,0,0,1,0|1,0,1]=3 89 B6R0.2 CC(O)CC(=O)[O-] CS20253 [0,0,0,0,1,0|1,0,2]=4 90 B6R0.2 CN(C)CC(=O)O CS13413 [0,0,0,0,1,0|3,0,0]=4 91 B6R0.2 NC(=O)CC(N)=O CS11565 [0,0,0,0,1,0|2,0,0]=3 92 B6R0.2 NC(=O)C[N+](=O)[O-] MC442348 [0,0,0,0,1,0|2,0,1]=4 93 B6R0.2 NC(=O)NC(N)=O CS11485 [0,0,0,0,1,0|3,0,0]=4 94 B6R0.2 NC([SeH])CC(=O)O MC435590 [0,0,0,0,1,0|1,1,1]=4 95 B6R0.2 NC([SeH])CC(=O)O MC435591 [0,0,0,0,1,0|1,1,1]=4 96 B6R0.2 O=C(O)CC(=O)O MC41922 [0,0,0,0,1,0|0,0,0]=1 97 B6R0.2 O=C(O)CC(=O)O MC41938 [0,0,0,0,1,0|0,0,0]=1 98 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,0,0,0,0,1|3,0,0]=4 99 B8R0.28 NC(=O)NCCC(=O)O MC436834 [0,0,0,0,0,1|1,0,0]=2 100 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,0,0,0,0,1|0,0,0]=1 101 B8R0.28 O=C(O)COCC(O)=S MC445127 [0,0,0,0,0,1|0,1,0]=2 102 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|1,0,1]=4 103 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,1]=4 105 B5R0.1 C\C=C\C(=O)O MC41882 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.1 N#CCC(=O)O MC41881 [2,0,0,0,0,0|1,0,1]=4 107 B5R0.1 NCCC(=O)O CS13499 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.1 NCCC(N)=O MC436150 [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 O=C(O)CCO MC20638 [2,0,0,0,0,0|0,0,0]=2 110 B5R0.2 O=CNNC=O CS20491 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.2 NCC(O)CC(=O)O CS16710 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.3 C#CCCC(=O)OC MC424002 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|0,0,0]=2 114 B7R0.3 COC(=O)CCCBr MC427387 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.3 COC(=O)CCCN MC439309 [1,1,0,0,0,0|1,0,1]=4 116 B7R0.4 C#CCCCC(=O)O CS14686 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.4 C=CCNCC(=O)O MC439317 [1,1,0,0,0,0|1,0,0]=3 118 B7R0.4 CCCOCC(=O)O MC425744 [1,1,0,0,0,0|1,0,1]=4 119 B7R0.4 NCCCCC(=O)O MC428108 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.4 NCCNCC(=O)O MC436179 [1,1,0,0,0,0|1,0,1]=4 121 B7R0.4 O=C(O)CCCCBr MC41866 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.5 C#CCC(N)C(=O)O CS13900 [1,1,0,0,0,0|1,0,1]=4 123 B7R0.5 C#CCC(N)C(=O)O MC21037 [1,1,0,0,0,0|1,0,1]=4 124 B7R0.5 C#CCC(N)C(=O)O MC438112 [1,1,0,0,0,0|1,0,1]=4 125 B7R0.5 C=CCC(N)C(=O)O MC439179 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.5 CCCC(N)C(=O)O CS10518 [1,1,0,0,0,0|1,0,1]=4 127 B7R0.5 CCCC(N)C(=O)O CS17028 [1,1,0,0,0,0|1,0,1]=4 128 B7R0.5 CCCC(N)C(=O)O MC439125 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.5 COCC(N)C(=O)O CS12183 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.5 COCC(N)C(=O)O CS16755 [1,1,0,0,0,0|2,0,0]=4 131 B7R0.5 COCC(N)C(=O)O CS20335 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.5 CSCC(N)C(=O)O MC439293 [1,1,0,0,0,0|2,0,0]=4 133 B7R0.5 C[Se]CC(N)C(=O)O MC435442 [1,1,0,0,0,0|2,0,0]=4 134 B7R0.5 C[Se]CC(N)C(=O)O MC435443 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.5 N#CCC(N)C(=O)O MC436869 [1,1,0,0,0,0|1,0,1]=4 136 B7R0.5 NC(CCO)C(=O)O CS13886 [1,1,0,0,0,0|0,0,1]=3 137 B7R0.5 NC(CCO)C(=O)O CS16701 [1,1,0,0,0,0|0,0,1]=3 138 B7R0.5 NC(CCO)C(=O)O CS22620 [1,1,0,0,0,0|0,0,1]=3 139 B7R0.5 NCCC(N)C(=O)O CS13874 [1,1,0,0,0,0|1,0,1]=4 140 B7R0.5 NCCC(N)C(=O)O CS15080 [1,1,0,0,0,0|1,0,1]=4 141 B7R0.5 NCCC(N)C(=O)O MC436921 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.5 NCCC(N)C(=O)O MC439091 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.5 NCCC(N)C(=O)O MC439321 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.5 NCCC(O)C(=O)O CS15496 [1,1,0,0,0,0|1,0,1]=4 145 B7R0.5 NCCC(O)C(=O)O CS21759 [1,1,0,0,0,0|1,0,1]=4 146 B7R0.16 CC(O)C(N)C(=O)O CS16722 [0,1,0,0,1,0|1,0,1]=4 147 B7R0.16 CC(O)C(N)C(=O)O CS22619 [0,1,0,0,1,0|1,0,1]=4 148 B7R0.16 CC(O)C(N)C(=O)O MC438198 [0,1,0,0,1,0|1,0,1]=4 149 B7R0.16 CC(O)C(N)C(=O)O MC438199 [0,1,0,0,1,0|1,0,1]=4 150 B7R0.16 CC(O)C(N)C(=O)O MC438200 [0,1,0,0,1,0|1,0,1]=4 151 B7R0.16 NC(=O)C(N)C(N)=O CS14640 [0,1,0,0,1,0|2,0,0]=4 152 B9R0.1 NCC(=O)NCCC(=O)O MC435044 [0,1,0,0,0,1|1,0,0]=3 153 B9R0.7 C=C(C)CCC(N)C(=O)O MC435324 [0,1,0,0,0,1|2,0,0]=4 154 B9R0.7 C=C(C)CCC(N)C(=O)O MC435325 [0,1,0,0,0,1|2,0,0]=4 155 B9R0.7 CC(=O)OCC(N)C(=O)O MC428251 [0,1,0,0,0,1|1,0,0]=3 156 B9R0.7 CC(=O)OCC(N)C(=O)O MC438163 [0,1,0,0,0,1|1,0,0]=3 157 B9R0.7 CS(=O)CCC(N)C(=O)O MC437958 [0,1,0,0,0,1|2,0,0]=4 158 B9R0.7 NC(=O)C(N)CCC(=O)O MC437667 [0,1,0,0,0,1|1,0,0]=3 159 B9R0.7 NC(=O)C(N)CCC(=O)O MC437668 [0,1,0,0,0,1|1,0,0]=3 160 B9R0.7 NC(=O)CCC(N)C(=O)O MC437648 [0,1,0,0,0,1|1,0,0]=3 161 B9R0.7 NC(=O)CCC(N)C(=O)O MC437649 [0,1,0,0,0,1|1,0,0]=3 162 B9R0.7 NC(=O)CCC(N)C(N)=O MC437652 [0,1,0,0,0,1|2,0,0]=4 163 B9R0.7 NC(=O)CCC(N)C(N)=O MC437653 [0,1,0,0,0,1|2,0,0]=4 164 B9R0.7 NC(=O)NCC(N)C(=O)O MC436167 [0,1,0,0,0,1|1,0,0]=3 165 B9R0.7 NC(=O)SCC(N)C(=O)O MC436904 [0,1,0,0,0,1|1,0,0]=3 166 B9R0.7 NC(CCC(=O)O)B(O)O MC442664 [0,1,0,0,0,1|1,0,1]=4 167 B9R0.7 NC(CCC(=O)O)B(O)O MC442665 [0,1,0,0,0,1|1,0,1]=4 168 B9R0.7 NC(CCC(=O)O)C(=O)O CS14946 [0,1,0,0,0,1|0,0,0]=2 169 B9R0.7 NC(CCC(=O)O)C(=O)O CS15295 [0,1,0,0,0,1|0,0,0]=2 170 B9R0.7 NC(CCC(=O)O)C(=O)O MC437662 [0,1,0,0,0,1|0,0,0]=2 171 B9R0.7 NC(CCC(=O)O)C(=O)O MC437663 [0,1,0,0,0,1|0,0,0]=2 172 B9R0.7 O=C(O)CCC(=O)C(=O)O CS14149 [0,1,0,0,0,1|0,0,0]=2 173 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] MC113891 [0,1,0,0,0,1|0,0,2]=4 174 B9R0.53 NC(CC(=O)O)CC(=O)O MC439301 [0,1,0,0,0,1|0,0,0]=2 175 B9R0.23 CN(CC(=O)O)C(=O)CN MC439432 [0,2,0,0,0,0|2,0,0]=4 176 B9R0.23 COC(=O)C(=O)CC(C)=O MC446700 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.23 COC(=O)C(C)NC(C)=O MC436018 [0,2,0,0,0,0|2,0,0]=4 178 B9R0.23 COC(=O)C(C)NC(C)=O MC436019 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.23 COC(=O)C(N)CC(=O)O MC436253 [0,2,0,0,0,0|0,0,0]=2 180 B9R0.23 COC(=O)C(N)CC(=O)O MC436254 [0,2,0,0,0,0|0,0,0]=2 181 B9R0.23 COC(=O)C(N)CC(=O)O MC436255 [0,2,0,0,0,0|0,0,0]=2 182 B9R0.23 COC(=O)C(N)CC(=O)O MC436271 [0,2,0,0,0,0|0,0,0]=2 183 B9R0.23 COC(=O)C(N)CC(N)=O MC436238 [0,2,0,0,0,0|1,0,0]=3 184 B9R0.24 COC(=O)C#CC(=O)OC CS11256 [0,2,0,0,0,0|0,0,2]=4 185 B9R0.24 COC(=O)CCS(=O)OC MC425069 [0,2,0,0,0,0|1,0,0]=3 186 B9R0.24 COC(=O)CNC(=O)CN MC439205 [0,2,0,0,0,0|2,0,0]=4 187 B9R0.42 COC(=O)CC(=O)C(=O)O MC442592 [0,2,0,0,0,0|0,0,1]=3 188 B9R0.42 COC(=O)CC(N)C(=O)O CS13817 [0,2,0,0,0,0|0,0,0]=2 189 B9R0.42 COC(=O)CC(N)C(=O)O CS22944 [0,2,0,0,0,0|0,0,0]=2 190 B9R0.42 COC(=O)CC(N)C(=O)O MC436270 [0,2,0,0,0,0|0,0,0]=2 191 B9R0.48 CCOC(=O)CCC(=O)Cl MC40471 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.48 CCOC(=O)CCC(=O)O CS11693 [0,2,0,0,0,0|0,0,0]=2 193 B9R0.48 CCOC(=O)CC[N+](=O)[O-] MC442447 [0,2,0,0,0,0|1,0,1]=4 194 B9R0.48 CCOC(=O)CNC(C)=O MC439004 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.11 CC(C)(CC(=O)O)C(=O)O CS19959 [0,2,0,0,0,0|0,0,0]=2 196 B9R0.39 CC(=O)NC(CS)C(=O)O CS19200 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.39 CCC(NC(C)=O)C(=O)O MC428063 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.39 CCC(NC(C)=O)C(=O)O MC439247 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.39 CNC(CC(=O)O)C(=O)O MC437899 [0,2,0,0,0,0|0,0,0]=2 200 B9R0.39 CNC(CC(=O)O)C(=O)O MC437900 [0,2,0,0,0,0|0,0,0]=2 201 B9R0.39 CNC(CC(=O)O)C(=O)O MC446678 [0,2,0,0,0,0|0,0,0]=2 202 B9R0.39 CNC(CC(N)=O)C(=O)O MC435534 [0,2,0,0,0,0|1,0,0]=3 203 B9R0.57 NC(CS(=O)(=O)O)C(=O)O MC428071 [0,2,0,0,0,0|1,0,0]=3 204 B9R0.79 CC(C(=O)O)C(N)C(=O)O MC20536 [0,2,0,0,0,0|0,0,0]=2 205 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS11193 [0,2,0,0,0,0|0,0,0]=2 206 B9R0.79 O=C(O)C(O)C(O)C(=O)O CS19386 [0,2,0,0,0,0|0,0,0]=2 207 B9R0.79 O=C(O)C(O)C(O)C(=O)O MC21114 [0,2,0,0,0,0|0,0,0]=2 208 B9R0.79 O=C(O)C(O)C(O)C(=O)O MC426007 [0,2,0,0,0,0|0,0,0]=2 209 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|2,0,0]=4 210 B7R1.2 O=C1CCC(=O)N1 MC41707 [1,0,0,1,0,0|1,0,0]=3 211 B7R1.2 O=C1CNC(=O)C1 MC116520 [1,0,0,1,0,0|2,0,0]=4 212 B7R1.2 O=C1CSC(=O)N1 CS22526 [1,0,0,1,0,0|2,0,0]=4 213 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,1,0,0|1,0,1]=4 214 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,1,0,0|1,0,1]=4 215 B7R1.10 O=C1CC(CO)C1 MC113039 [1,0,0,1,0,0|1,0,1]=4 216 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|1,0,1]=4 217 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|1,0,1]=4 218 B7R1.12 O=C(O)C1CC1Br MC430635 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.12 O=C(O)C1CC1F MC21162 [1,0,0,1,0,0|1,0,1]=4 220 B7R1.12 O=C(O)C1CC1F MC425300 [1,0,0,1,0,0|1,0,1]=4 221 B7R1.12 O=C(O)C1CC1F MC425301 [1,0,0,1,0,0|1,0,1]=4 222 B7R1.12 O=C(O)C1CC1F MC425302 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.12 O=C(O)C1CC1F MC425316 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.12 O=C(O)C1CC1I MC102749 [1,0,0,1,0,0|1,0,1]=4 225 B7R1.12 O=C(O)C1CC1I MC425298 [1,0,0,1,0,0|1,0,1]=4 226 B7R1.18 O=C(O)C1CCC1 CS22786 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.18 O=C(O)C1CCN1 CS16493 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.18 O=C(O)C1CCN1 CS16972 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.18 O=C(O)C1CCN1 CS18844 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.18 O=C(O)C1CCN1 MC436280 [1,0,0,1,0,0|1,0,1]=4 231 B7R1.18 O=C(O)C1CCO1 MC115721 [1,0,0,1,0,0|0,0,1]=3 232 B7R1.18 O=C(O)C1CNC1 CS16485 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.18 O=C(O)C1COC1 CS22389 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.18 O=C(O)C1CSC1 MC100118 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|1,0,1]=4 236 B9R1.35 O=C(O)C1CC(O)CN1 CS12039 [0,0,0,1,0,1|1,0,1]=4 237 B9R1.35 O=C(O)C1CC(O)CN1 CS18304 [0,0,0,1,0,1|1,0,1]=4 238 B9R1.35 O=C(O)C1CC(O)CN1 CS19994 [0,0,0,1,0,1|1,0,1]=4 239 B9R1.35 O=C(O)C1CC(O)CN1 CS22793 [0,0,0,1,0,1|1,0,1]=4 240 B9R1.35 O=C(O)C1CC(O)CN1 MC31144 [0,0,0,1,0,1|1,0,1]=4 241 B9R1.35 O=C(O)C1CC(O)CN1 MC437781 [0,0,0,1,0,1|1,0,1]=4 242 B9R1.35 O=C(O)C1CC(O)CN1 MC437782 [0,0,0,1,0,1|1,0,1]=4 243 B9R1.35 O=C1CCC(C(=O)O)C1 CS19439 [0,0,0,1,0,1|1,0,0]=3 244 B9R1.35 O=C1CCC(C(=O)O)C1 MC105133 [0,0,0,1,0,1|1,0,0]=3 245 B9R1.35 O=C1CCC(C(=O)O)C1 MC105627 [0,0,0,1,0,1|1,0,0]=3 246 B9R1.35 O=C1CCC(C(=O)O)N1 CS22212 [0,0,0,1,0,1|1,0,0]=3 247 B9R1.35 O=C1CCC(C(=O)O)N1 MC438135 [0,0,0,1,0,1|1,0,0]=3 248 B9R1.35 O=C1CCC(C(=O)O)S1 MC103888 [0,0,0,1,0,1|0,1,0]=3 249 B9R1.35 O=C1NC(C(=O)O)CS1 MC438059 [0,0,0,1,0,1|1,0,0]=3 250 B9R1.53 CC(=O)OC1CC(=O)N1 CS18165 [0,0,0,1,0,1|2,0,0]=4 251 B9R1.161 O=C(O)C1CC1C(=O)O MC33398 [0,0,0,1,0,1|0,0,0]=2 252 B9R1.82 COC(=O)C1CC(=O)C1 CS13104 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.82 COC(=O)C1CC(O)C1 MC444276 [0,1,0,1,0,0|1,0,1]=4 254 B9R1.82 COC(=O)C1CC(O)C1 MC444557 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.82 COC(=O)C1CC(O)C1 MC444565 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.95 COC1CC(C(=O)O)C1 MC102156 [0,1,0,1,0,0|1,0,1]=4 257 B9R1.95 COC1CC(C(=O)O)C1 MC103811 [0,1,0,1,0,0|1,0,1]=4 258 B9R1.95 O=C(O)C1CC(CO)C1 MC103733 [0,1,0,1,0,0|1,0,1]=4 259 B9R1.152 C=C1CC(C)(C(=O)O)C1 MC105172 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.152 NC1(C(=O)O)CC(O)C1 MC110551 [0,1,0,1,0,0|1,0,1]=4 261 B9R1.164 CC1(O)CC(C(=O)O)C1 CS16009 [0,1,0,1,0,0|1,0,1]=4 262 B9R1.164 CC1(O)CC(C(=O)O)C1 MC103746 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.164 O=C(O)C1CS(=O)(=O)C1 MC425158 [0,1,0,1,0,0|1,0,1]=4 264 B5R0.5 CC(=O)C(=O)O MC41939 [0,0,0,0,2,0|1,0,0]=3 265 B5R0.5 CC(O)C(=O)O MC437817 [0,0,0,0,2,0|1,0,1]=4 266 B5R0.5 NC(=O)C(N)=O MC20822 [0,0,0,0,2,0|2,0,0]=4 267 B5R0.5 O=C(O)C(=O)O CS11387 [0,0,0,0,2,0|0,0,0]=2 268 B5R0.5 O=C(O)C(=O)O MC425345 [0,0,0,0,2,0|0,0,0]=2 269 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,0,0,0,2,0|0,0,2]=4 270 B9R0.55 O=C(Cl)CCCCC(=O)Cl MC40434 [0,0,0,0,0,2|2,0,0]=4