0 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 CC(=CCO)CO CNP0277047.0 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,0,0,0,0|0,0,0]=0 13 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,0,0,0,0|1,0,0]=1 14 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,0,0,0,0,0|2,1,0]=3 15 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,0,0,0,0|1,0,1]=2 16 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,0,0,0,0|1,0,3]=4 23 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,0,0,0,0|1,0,3]=4 24 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,0,0,0,0|0,0,2]=2 25 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|1,0,3]=4 29 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,0,0,0,0|0,0,4]=4 30 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|1,0,3]=4 31 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,0,0,0,0|0,0,4]=4 32 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,0,0,0,0|1,0,1]=2 33 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,0,0,0,0|1,0,1]=2 36 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,0,0,0,0|1,0,1]=2 40 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,0,0,0,0|1,1,2]=4 41 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.1 COC(=O)C#CBr CNP0419364.0 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,0,0,0,0,0|2,0,1]=3 48 B6R0.1 COC(=O)CSC CNP0189712.0 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.1 COCC(=O)OC CNP0202591.0 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|0,0,2]=3 54 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,0,0,0,0|1,0,2]=4 56 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.1 CC(=CC#N)C CNP0294715.0 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,0,0,0,0|1,1,0]=3 67 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|0,0,0]=1 68 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,0,0,0,0|1,0,0]=2 69 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,0,0,0,0|1,0,0]=2 71 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,0,0,0,0|1,0,0]=2 72 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,0,0,0,0|1,1,0]=3 73 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|1,0,1]=3 74 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|0,0,2]=3 75 B5R0.1 CC=CS(=S)O CNP0498878.0 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|0,0,2]=3 78 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|0,0,2]=3 79 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,2]=4 80 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,1]=3 83 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|1,0,1]=3 84 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|2,0,1]=4 86 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|2,0,1]=4 91 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|2,0,1]=4 96 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,0,0,0,0|2,0,0]=3 99 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,0,0,0,0|2,0,0]=3 100 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,0,0,0,0|2,0,0]=3 101 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,0,0,0,0|2,0,0]=3 102 B5R0.1 O=C(O)C=NO CNP0286362.0 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.1 O=CC=C(Br)Br CNP0270728.0 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,0,0,0,0|0,0,3]=4 106 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|0,0,1]=2 108 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|0,0,3]=4 109 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|0,0,3]=4 110 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|1,0,2]=4 111 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|0,0,1]=2 115 B5R0.2 CC=CCC#N CNP0080085.0 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|0,0,1]=2 118 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,0,0,0,0|1,0,1]=3 121 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|1,0,0]=2 122 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|1,0,0]=2 124 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|2,0,0]=3 125 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|1,0,2]=4 129 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|0,0,3]=4 130 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|1,0,2]=4 131 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.2 CCSSCC CNP0416624.0 [1,0,0,0,0,0|2,0,1]=4 137 B5R0.2 CCSSSC CNP0407481.0 [1,0,0,0,0,0|3,0,0]=4 138 B5R0.2 COC=COC CNP0416791.0 [1,0,0,0,0,0|2,0,0]=3 139 B5R0.2 CSC=CSC CNP0075985.0 [1,0,0,0,0,0|2,0,0]=3 140 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|2,0,0]=3 141 B5R0.2 OCC=CCO CNP0296138.0 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,0,0,0,0,0|1,0,2]=4 143 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|2,0,0]=3 145 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|0,0,0]=1 147 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,0,0,0,0|1,0,0]=2 148 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|0,0,2]=3 149 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,1]=4 150 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|0,0,2]=3 151 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|2,0,1]=4 152 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,0]=2 153 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|1,0,0]=2 156 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,0,0,0,0|0,0,1]=2 157 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,0,0,0,0|1,0,1]=3 158 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,0,0,0,0|2,0,0]=3 159 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,0,0,0,0|1,0,0]=2 161 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|1,0,2]=4 162 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|1,0,2]=4 163 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|0,0,3]=4 165 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|1,1,1]=4 166 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.3 CNC(=N)NC CNP0404528.0 [1,0,0,0,0,0|3,0,0]=4 172 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,0,0,0,0|2,0,0]=3 174 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,0,0,0,0|2,0,0]=3 175 B5R0.3 COC(=O)NN CNP0033099.0 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.3 NCC(=O)NO CNP0470573.0 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,0,0,0,0|2,0,1]=4 178 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,0,0,0,0|2,0,1]=4 179 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,0,0,0,0|2,0,1]=4 185 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,0,0,0,0|1,0,0]=2 186 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,0,0,0,0|2,0,0]=3 187 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,0,0,0,0|0,0,0]=1 188 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,0,0,0,0|1,0,1]=3 189 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,0,0,0,0|0,0,2]=3 190 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,0,0,0,0|1,0,0]=2 191 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|1,0,2]=4 193 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,0,0,0,0|2,0,1]=4 194 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,0,0,0,0|1,0,0]=2 199 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,0,0,0,0|1,0,1]=3 200 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [0,1,0,0,0,0|2,0,1]=4 201 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,0,0,0,0|1,0,2]=4 202 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,0,0,0,0|1,0,2]=4 203 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,0,0,0,0|1,0,2]=4 205 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [0,1,0,0,0,0|2,0,1]=4 208 B7R0.2 COC(=O)NC(=O)N CNP0291245.0 [0,1,0,0,0,0|3,0,0]=4 209 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.2 O=C(O)CC(=O)CBr CNP0292204.0 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|1,0,2]=4 213 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,1,0,0,0,0|1,0,2]=4 215 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,0,0,0,0|0,0,2]=3 216 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,1,0,0,0,0|0,0,1]=2 217 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|0,0,2]=3 218 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|1,0,1]=3 219 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|0,0,0]=1 220 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|1,0,1]=3 221 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|0,0,2]=3 222 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|1,0,2]=4 223 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|0,0,2]=3 224 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,0,0,0,0|0,0,2]=3 228 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,1,0,0,0,0|1,0,1]=3 230 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,0,0,0,0|1,0,2]=4 232 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,0,0,0,0|1,0,2]=4 235 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,0,0,0,0|1,0,2]=4 236 B7R0.5 CC(=CCO)C(C)C CNP0253008.0 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,0,0,0,0|1,0,1]=3 239 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|0,0,3]=4 240 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,0,0,0,0|0,0,2]=3 241 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,0,0,0,0|0,0,2]=3 242 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,0,0,0,0|0,0,2]=3 243 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,0,0,0,0|1,0,1]=3 246 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,0,0,0,0|1,0,1]=3 247 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,0,0,0,0|1,0,1]=3 249 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,0,0,0,0|1,0,1]=3 252 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,0,0,0,0|0,0,2]=3 256 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|2,0,0]=3 258 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|0,0,0]=1 260 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,1,0,0,0,0|1,0,1]=3 261 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,0,0,0,0|0,0,0]=1 262 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|1,0,1]=3 263 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|0,0,2]=3 264 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|1,0,1]=3 265 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|0,0,2]=3 266 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|0,0,2]=3 267 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|0,1,2]=4 268 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,0,0,0,0|1,0,0]=2 269 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,0,0,0,0|1,0,0]=2 270 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,0,0,0,0|1,0,0]=2 271 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,0,0,0,0|1,0,1]=3 275 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,1,0,0,0,0|2,0,0]=3 277 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|1,0,2]=4 278 B7R0.10 CC(=CN)C(=O)OO CNP0124097.0 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|0,0,0]=1 281 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,0,0,0,0|1,0,0]=2 282 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|1,0,0]=2 283 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,0,0,0,0|0,0,1]=2 284 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|0,0,2]=3 285 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|0,0,2]=3 286 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,0,0,0,0|1,0,2]=4 289 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,0,0,0,0|2,0,0]=3 290 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,0,0,0,0|2,0,0]=3 295 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,0,0,0,0|2,0,0]=3 296 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,1,0,0,0,0|2,0,0]=3 298 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,1,0,0,0,0|2,0,0]=3 301 B7R0.11 CC=CS(=O)(=O)SC CNP0192483.0 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,1,0,0,0,0|1,0,1]=3 304 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,1,0,0,0,0|1,0,2]=4 306 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,1,0,0,0,0|1,0,1]=3 307 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,1,0,0|0,0,2]=3 308 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,1,0,0|0,1,1]=3 309 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|1,0,1]=3 310 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,0,0,1,0,0|1,1,1]=4 313 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,1,0,0|2,0,1]=4 314 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,1,0,0|2,0,1]=4 315 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,1,0,0|1,0,2]=4 318 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,1,0,0|1,1,1]=4 319 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,1,0,0|3,0,0]=4 321 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,1,0,0|1,0,2]=4 322 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,1,0,0|1,1,1]=4 323 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,0,0,1,0,0|1,1,1]=4 324 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,0,0,1,0,0|1,1,1]=4 325 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,0,0,1,0,0|2,0,1]=4 326 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,1,0,0|0,0,0]=1 327 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,1,0,0|1,0,0]=2 328 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,1,0,0|1,0,0]=2 329 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,1,0,0|0,1,0]=2 330 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,1,0,0|1,1,1]=4 331 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,1,0,0|1,0,1]=3 332 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,1,0,0|2,0,1]=4 333 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,1,0,0|2,0,1]=4 334 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,1,0,0|3,0,0]=4 335 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,1,0,0|0,0,2]=3 336 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,1,0,0|0,0,2]=3 337 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,1,0,0|1,0,1]=3 338 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,1,0,0|1,0,2]=4 339 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,1,0,0|2,0,1]=4 340 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,1,0,0|1,0,1]=3 341 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,1,0,0|1,0,2]=4 342 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,1,0,0|1,0,1]=3 343 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,1,0,0|1,0,2]=4 344 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,0,0,1,0,0|3,0,0]=4 345 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,1,0,0|2,0,0]=3 346 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,1,0,0|2,0,0]=3 347 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,1,0,0|1,0,1]=3 348 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,1,0,0|2,0,0]=3 349 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,1,0,0|2,0,0]=3 350 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,1,0,0|2,0,1]=4 351 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,1,0,0|2,0,1]=4 352 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,1,0,0|3,0,0]=4 353 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,1,0,0|3,0,0]=4 354 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,1,0,0|3,0,0]=4 355 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|1,0,2]=4 356 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,1,0,0|1,0,1]=3 357 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|1,0,1]=3 358 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,0,0,1,0,0|3,0,0]=4 359 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,1,0,0|0,0,2]=3 360 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,0,0,1,0,0|1,0,2]=4 361 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,0,1,0,0|1,0,2]=4 362 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,0,0,1,0,0|2,0,1]=4 363 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|0,0,0]=1 364 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|1,0,0]=2 365 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,0,0,1,0,0|1,0,2]=4 366 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,0,0,1,0,0|1,0,2]=4 367 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|0,0,2]=3 368 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,1,0,0|1,0,1]=3 369 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|1,0,0]=2 370 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|0,0,2]=3 371 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|1,0,1]=3 372 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|1,0,1]=3 373 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|1,0,2]=4 374 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,1,0,0|2,0,1]=4 375 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,1,0,0|2,0,1]=4 376 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|0,0,2]=3 377 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,1,0,0|1,0,1]=3 378 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|1,0,2]=4 379 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|0,0,2]=3 380 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|0,0,2]=3 381 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,1,0,0|1,1,1]=4 382 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,1,0,0|1,1,1]=4 383 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,1,0,0|2,0,1]=4 384 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,1,0,0|2,0,1]=4 385 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|1,0,1]=3 386 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|1,0,2]=4 387 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|1,0,0]=2 388 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|1,0,2]=4 389 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|0,0,2]=3 390 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|1,0,1]=3 391 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|1,0,2]=4 392 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|0,0,2]=3 393 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|1,0,1]=3 394 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|1,0,2]=4 395 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|2,0,1]=4 396 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,1,0,0|3,0,0]=4 397 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|2,0,1]=4 399 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,1,0,0|3,0,0]=4 400 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,1,0,0|1,0,1]=3 401 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|2,0,1]=4 402 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|2,0,1]=4 403 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,0,0,1,0,0|1,0,2]=4 404 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,0,0,1,0,0|2,0,1]=4 405 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,1,0,0|2,0,1]=4 406 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,0,1,0,0|1,0,2]=4 407 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,0,0,1,0,0|2,0,1]=4 408 B4R0.1 C=C(Br)CO CNP0506207.0 [2,0,0,0,0,0|2,0,0]=4 409 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|2,0,0]=4 410 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|2,0,0]=4 412 B4R0.1 C=CC(=C)C CNP0489519.0 [2,0,0,0,0,0|1,0,0]=3 413 B4R0.1 C=CC(=N)N CNP0498731.0 [2,0,0,0,0,0|2,0,0]=4 414 B4R0.1 C=CC(=O)C CNP0571315.0 [2,0,0,0,0,0|0,0,0]=2 415 B4R0.1 C=CC(=O)Cl CNP0569586.0 [2,0,0,0,0,0|1,0,0]=3 416 B4R0.1 C=CC(=O)N CNP0574606.0 [2,0,0,0,0,0|1,0,0]=3 417 B4R0.1 C=CC(=O)O CNP0590547.0 [2,0,0,0,0,0|1,0,0]=3 418 B4R0.1 C=CC(=O)[O-] CNP0528918.0 [2,0,0,0,0,0|1,0,0]=3 419 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,1]=4 420 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|0,0,2]=4 421 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|0,0,2]=4 422 B4R0.1 CC(=O)C#N CNP0551952.0 [2,0,0,0,0,0|1,0,1]=4 423 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,0]=3 424 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,0]=3 425 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,0]=3 426 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,0]=3 427 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,0]=3 428 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,0]=3 429 B4R0.1 CC(=O)N=N CNP0591627.0 [2,0,0,0,0,0|2,0,0]=4 430 B4R0.1 CC(=O)NN CNP0503904.0 [2,0,0,0,0,0|2,0,0]=4 431 B4R0.1 CC(=O)NO CNP0518042.0 [2,0,0,0,0,0|2,0,0]=4 432 B4R0.1 CC(=O)OO CNP0491052.0 [2,0,0,0,0,0|2,0,0]=4 433 B4R0.1 CC(=O)O[Hg+] CNP0504265.0 [2,0,0,0,0,0|2,0,0]=4 434 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,0]=3 435 B4R0.1 CCC(=N)S CNP0544659.0 [2,0,0,0,0,0|1,1,0]=4 436 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,0]=3 437 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,0]=2 438 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,0]=3 439 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,0]=3 440 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,0]=3 441 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,0]=3 442 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,0]=3 443 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,0]=3 444 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,0]=3 445 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|1,0,1]=4 446 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,1]=4 447 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,2]=4 448 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,1]=4 449 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,2]=4 450 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,0]=3 451 B4R0.1 CNC(=O)N CNP0576116.0 [2,0,0,0,0,0|2,0,0]=4 452 B4R0.1 CNC(=O)O CNP0594440.0 [2,0,0,0,0,0|2,0,0]=4 453 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|1,0,0]=3 454 B4R0.1 COC(=O)N CNP0575874.0 [2,0,0,0,0,0|2,0,0]=4 455 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|1,0,0]=3 456 B4R0.1 N=CC(=O)O CNP0521453.0 [2,0,0,0,0,0|2,0,0]=4 457 B4R0.1 NC(=O)CCl CNP0572781.0 [2,0,0,0,0,0|2,0,0]=4 458 B4R0.1 NC(=O)CI CNP0573172.0 [2,0,0,0,0,0|2,0,0]=4 459 B4R0.1 NC(=O)CO CNP0610142.0 [2,0,0,0,0,0|2,0,0]=4 460 B4R0.1 NCC(=O)N CNP0542212.0 [2,0,0,0,0,0|2,0,0]=4 461 B4R0.1 NCC(=O)O CNP0563879.0 [2,0,0,0,0,0|2,0,0]=4 462 B4R0.1 NCC(=O)[O] CNP0605168.0 [2,0,0,0,0,0|2,0,0]=4 463 B4R0.1 O=C(Cl)CCl CNP0491057.0 [2,0,0,0,0,0|2,0,0]=4 464 B4R0.1 O=C(Cl)CI CNP0533753.0 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 O=C(O)CBr CNP0605480.0 [2,0,0,0,0,0|2,0,0]=4 466 B4R0.1 O=C(O)CCl CNP0514898.0 [2,0,0,0,0,0|2,0,0]=4 467 B4R0.1 O=C(O)CI CNP0542117.0 [2,0,0,0,0,0|2,0,0]=4 468 B4R0.1 O=C(O)CO CNP0564020.0 [2,0,0,0,0,0|2,0,0]=4 469 B4R0.1 O=C(O)CS CNP0502399.0 [2,0,0,0,0,0|2,0,0]=4 470 B4R0.1 O=CC(=O)O CNP0571230.0 [2,0,0,0,0,0|2,0,0]=4 471 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|0,0,2]=4 472 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|0,0,1]=3 473 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|0,0,1]=3 474 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|2,0,0]=4 475 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 476 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 477 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 478 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|1,0,0]=3 481 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|1,0,0]=3 482 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 483 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,0]=2 485 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,0]=2 486 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|1,0,0]=3 487 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|1,0,0]=3 488 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,0]=3 489 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,1]=4 490 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|2,0,0]=4 491 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 492 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,2]=4 493 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,2]=4 494 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,1]=4 495 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,1]=4 496 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,1]=4 497 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 498 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,1]=4 499 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,1]=4 500 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,1]=4 501 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|2,0,0]=4 502 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|1,1,0]=4 503 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,1]=4 504 B4R0.2 ClC=CCCl CNP0530301.0 [2,0,0,0,0,0|2,0,0]=4 505 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 507 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|2,0,0]=4 508 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|0,0,1]=3 509 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [1,1,0,0,0,0|1,0,0]=3 510 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [1,1,0,0,0,0|1,0,0]=3 511 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,1,0,0,0,0|1,0,0]=3 512 B6R0.2 CC(=CC(=O)O)O CNP0487751.0 [1,1,0,0,0,0|1,0,0]=3 513 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [1,1,0,0,0,0|1,0,1]=4 514 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,1,0,0,0,0|0,0,0]=2 515 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|0,0,1]=3 516 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,1,0,0,0,0|0,0,0]=2 517 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,1,0,0,0,0|0,0,0]=2 518 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|0,0,1]=3 519 B6R0.2 CC(=O)CC(=O)N CNP0237689.0 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.2 CC(=O)CC(=O)O CNP0286292.0 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,2]=4 522 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|0,0,2]=4 523 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|0,0,2]=4 524 B6R0.2 CC(=O)NC(=N)N CNP0201651.0 [1,1,0,0,0,0|2,0,0]=4 525 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [1,1,0,0,0,0|1,0,0]=3 526 B6R0.2 CC(=O)NC(=O)N CNP0114939.0 [1,1,0,0,0,0|2,0,0]=4 527 B6R0.2 CC(=O)NC(=S)N CNP0147596.0 [1,1,0,0,0,0|2,0,0]=4 528 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,1,0,0,0,0|1,0,0]=3 529 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|1,0,1]=4 530 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [1,1,0,0,0,0|1,0,0]=3 531 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [1,1,0,0,0,0|1,1,0]=4 532 B6R0.2 NC(=O)C=C(Cl)Cl CNP0268623.0 [1,1,0,0,0,0|2,0,0]=4 533 B6R0.2 O=C(Cl)C=C(Br)Br CNP0351146.0 [1,1,0,0,0,0|2,0,0]=4 534 B6R0.2 O=C(Cl)C=C(Cl)Cl CNP0284346.0 [1,1,0,0,0,0|2,0,0]=4 535 B6R0.2 O=C(O)C=C(Br)Br CNP0377910.0 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.2 O=C(O)C=C(Cl)Cl CNP0345285.0 [1,1,0,0,0,0|2,0,0]=4 537 B6R0.2 O=C(O)C=C(I)I CNP0227378.0 [1,1,0,0,0,0|2,0,0]=4 538 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,1,0,0,0,0|2,0,0]=4 539 B6R0.3 C=C(CC)C(=O)O CNP0082368.0 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.3 C=C(NC)C(=O)O CNP0542368.0 [1,1,0,0,0,0|2,0,0]=4 541 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [1,1,0,0,0,0|1,0,0]=3 543 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [1,1,0,0,0,0|2,0,0]=4 544 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,1,0,0,0,0|0,0,0]=2 545 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,1,0,0,0,0|1,0,0]=3 546 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,1,0,0,0,0|1,0,0]=3 547 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,1,0,0,0,0|1,0,0]=3 548 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,1,0,0,0,0|1,0,1]=4 549 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|0,0,1]=3 550 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [1,1,0,0,0,0|1,0,1]=4 551 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|0,0,2]=4 552 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|0,0,2]=4 553 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|0,0,2]=4 554 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|0,0,2]=4 555 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.3 CNC(=O)C(=O)O CNP0336017.0 [1,1,0,0,0,0|2,0,0]=4 557 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,1,0,0,0,0|1,0,0]=3 558 B6R0.3 COC(=O)C(=O)Cl CNP0247015.0 [1,1,0,0,0,0|2,0,0]=4 559 B6R0.3 COC(=O)C(=O)O CNP0117987.0 [1,1,0,0,0,0|2,0,0]=4 560 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [1,1,0,0,0,0|2,0,0]=4 563 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [1,1,0,0,0,0|2,0,0]=4 564 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [1,1,0,0,0,0|2,0,0]=4 565 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [1,1,0,0,0,0|2,0,0]=4 566 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [1,1,0,0,0,0|2,0,0]=4 567 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [1,1,0,0,0,0|1,0,1]=4 571 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|0,0,2]=4 573 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|0,0,2]=4 574 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|0,0,2]=4 575 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|2,0,0]=4 576 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|1,0,1]=4 578 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|1,0,1]=4 583 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|1,0,1]=4 584 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,1]=4 585 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|1,0,0]=3 586 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|1,0,0]=3 587 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|1,0,1]=4 588 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|0,0,2]=4 589 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|0,0,0]=2 590 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|1,0,0]=3 591 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,2]=4 592 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,2]=4 593 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|0,0,2]=4 594 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,2]=4 595 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,0,2]=4 596 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,1,0,0,0,0|1,0,0]=3 598 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|1,0,0]=3 599 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|0,0,2]=4 600 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,0]=3 605 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|1,0,0]=3 606 B6R0.5 CC=CC(C)(C)C CNP0120515.0 [1,1,0,0,0,0|1,0,1]=4 607 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,1,0,0,0,0|0,0,2]=4 608 B6R0.6 C=CC=CCCC CNP0526826.0 [1,1,0,0,0,0|0,0,1]=3 609 B6R0.6 C=CCCC=CC CNP0426808.0 [1,1,0,0,0,0|0,0,2]=4 610 B6R0.6 CC#CC=CCO CNP0610509.0 [1,1,0,0,0,0|0,0,2]=4 611 B6R0.6 CC#CSC=CC CNP0514607.0 [1,1,0,0,0,0|0,0,2]=4 612 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,1,0,0,0,0|0,0,2]=4 613 B6R0.6 CC=CC=CCC CNP0608489.0 [1,1,0,0,0,0|0,0,0]=2 614 B6R0.6 CC=CC=CCO CNP0292375.0 [1,1,0,0,0,0|0,0,1]=3 615 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|0,0,2]=4 616 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|0,0,1]=3 617 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|0,0,1]=3 618 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|0,0,1]=3 619 B6R0.6 CC=COC=CC CNP0612224.0 [1,1,0,0,0,0|0,0,1]=3 620 B6R0.6 CC=CSC=CC CNP0002507.0 [1,1,0,0,0,0|0,0,1]=3 621 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|0,0,1]=3 622 B6R0.6 CC=CSSCC CNP0418756.0 [1,1,0,0,0,0|1,0,0]=3 623 B6R0.6 CC=CSSSC CNP0265306.0 [1,1,0,0,0,0|2,0,0]=4 624 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,1,0,0,0,0|1,0,0]=3 625 B6R0.6 CCC=C=CCC CNP0518397.0 [1,1,0,0,0,0|0,0,1]=3 626 B6R0.6 CCC=CCC#N CNP0106706.0 [1,1,0,0,0,0|0,0,2]=4 627 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|1,0,0]=3 628 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|0,0,1]=3 629 B6R0.6 CCC=CCCO CNP0255718.0 [1,1,0,0,0,0|0,0,1]=3 630 B6R0.6 CCC=CN=C=S CNP0076586.0 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|1,0,0]=3 632 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|0,0,1]=3 633 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|0,0,2]=4 636 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|0,0,2]=4 637 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|0,0,0]=2 638 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|1,0,0]=3 639 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|0,0,1]=3 640 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|0,0,2]=4 641 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|1,0,1]=4 642 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,2,0,0,0,0|1,0,1]=4 643 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,2,0,0,0,0|1,0,0]=3 644 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,2,0,0,0,0|1,0,1]=4 645 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,2,0,0,0,0|1,0,0]=3 646 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,2,0,0,0,0|1,0,1]=4 647 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|0,0,1]=3 648 B8R0.2 CCC(C)C(=O)C(C)C CNP0480087.0 [0,2,0,0,0,0|0,0,2]=4 649 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,2,0,0,0,0|1,0,0]=3 650 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,2,0,0,0,0|2,0,0]=4 651 B8R0.2 O=C(/C(=C\Br)/Br)[C@@H](Cl)Br CNP0222185.1 [0,2,0,0,0,0|2,0,0]=4 652 B8R0.2 O=C(C(=CBr)Br)C(Br)Br CNP0232246.0 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.2 O=C(CBr)C(=C(Br)Br)Br CNP0305731.0 [0,2,0,0,0,0|2,0,0]=4 654 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [0,2,0,0,0,0|0,0,2]=4 655 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [0,2,0,0,0,0|0,0,2]=4 656 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,2,0,0,0,0|2,0,0]=4 657 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|2,0,0]=4 658 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|1,0,0]=3 659 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|2,0,0]=4 660 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|0,0,0]=2 661 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|0,0,1]=3 662 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,2,0,0,0,0|0,0,2]=4 664 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|0,0,2]=4 665 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,2,0,0,0,0|1,0,0]=3 666 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,2,0,0,0,0|0,0,0]=2 667 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,2,0,0,0,0|1,0,0]=3 668 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|0,0,1]=3 669 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,2,0,0,0,0|1,0,1]=4 670 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,2,0,0,0,0|0,0,2]=4 672 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,2,0,0,0,0|0,0,2]=4 673 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,2,0,0,0,0|0,0,2]=4 674 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,2,0,0,0,0|0,0,2]=4 675 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,2,0,0,0,0|0,0,2]=4 676 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,2,0,0,0,0|1,0,1]=4 677 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,2,0,0,0,0|2,0,0]=4 679 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,2,0,0,0,0|1,0,1]=4 681 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,2,0,0,0,0|1,0,0]=3 682 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [0,2,0,0,0,0|1,0,0]=3 683 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|0,0,0]=2 684 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|0,0,2]=4 685 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|0,0,2]=4 686 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [0,2,0,0,0,0|0,0,1]=3 687 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|0,0,2]=4 688 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [0,2,0,0,0,0|1,0,0]=3 689 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [0,2,0,0,0,0|2,0,0]=4 690 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [0,2,0,0,0,0|2,0,0]=4 692 B8R0.23 CC(=CC(=O)Cl)C(C)C CNP0257848.0 [0,2,0,0,0,0|2,0,0]=4 693 B8R0.23 CC(=CC(=O)O)C(C)C CNP0219059.0 [0,2,0,0,0,0|2,0,0]=4 694 B8R0.23 CC(=O)C=C(C)C(C)C CNP0033202.0 [0,2,0,0,0,0|1,0,0]=3 695 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [0,2,0,0,0,0|0,0,1]=3 696 B8R0.23 CC(=O)CC(=O)N(C)C CNP0333027.0 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [0,2,0,0,0,0|0,0,2]=4 698 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [0,2,0,0,0,0|1,0,1]=4 699 B8R0.23 O=C(C=C(Br)Br)C(Br)Br CNP0125894.0 [0,2,0,0,0,0|2,0,0]=4 700 B8R0.23 O=C(C=C(Br)Br)[C@@H](Cl)Br CNP0172703.1 [0,2,0,0,0,0|2,0,0]=4 701 B8R0.23 O=C(C=C(Cl)Br)C(Br)Br CNP0368700.0 [0,2,0,0,0,0|2,0,0]=4 702 B8R0.24 CCC(=O)OC(C)(C)C CNP0611667.0 [0,2,0,0,0,0|1,0,1]=4 703 B8R0.1 C/C=C/S[S@@+]([O-])CCC CNP0575690.1 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.1 C/C=C/S[S@@H+]([O-])CCC CNP0552206.2 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.1 C/C=C\S[S@@+]([O-])CCC CNP0575690.2 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.1 C/C=C\S[S@@H+]([O-])CCC CNP0552206.1 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,2,0,0,0,0|0,0,2]=4 708 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,2,0,0,0,0|0,0,1]=3 709 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,2,0,0,0,0|0,0,2]=4 710 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,2,0,0,0,0|0,0,0]=2 711 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,2,0,0,0,0|0,0,2]=4 712 B8R0.1 CC=C[S+]([O-])SCCC CNP0526768.0 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,2,0,0,0,0|0,0,2]=4 714 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,2,0,0,0,0|0,0,2]=4 715 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|0,0,2]=4 716 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,2,0,0,0,0|0,0,2]=4 717 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|0,0,2]=4 719 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|0,0,2]=4 720 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|0,0,0]=2 721 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|0,0,0]=2 722 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|0,0,1]=3 723 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|0,0,2]=4 724 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,2,0,0,0,0|0,0,0]=2 725 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|0,0,0]=2 726 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|0,0,1]=3 727 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|0,0,2]=4 728 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|0,0,2]=4 729 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|0,0,2]=4 730 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,2,0,0,0,0|1,0,0]=3 731 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,2,0,0,0,0|1,0,0]=3 732 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|2,0,0]=4 733 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|0,0,1]=3 734 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|1,0,1]=4 735 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|0,0,2]=4 736 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|1,0,1]=4 737 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|1,0,1]=4 738 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|0,0,2]=4 739 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|1,0,1]=4 740 B8R0.6 C/C=C/SS[C@@H](C)CC CNP0144239.2 [0,2,0,0,0,0|1,0,1]=4 741 B8R0.6 C/C=C/SS[C@H](C)CC CNP0144239.1 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,2,0,0,0,0|0,0,2]=4 743 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,2,0,0,0,0|1,0,0]=3 744 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,2,0,0,0,0|1,0,0]=3 745 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,2,0,0,0,0|0,0,0]=2 746 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,2,0,0,0,0|1,0,0]=3 747 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|0,0,2]=4 748 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|0,0,2]=4 749 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,2,0,0,0,0|1,0,0]=3 750 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,2,0,0,0,0|1,0,1]=4 751 B8R0.8 C=C(CC=CC)C(C)C CNP0184653.0 [0,2,0,0,0,0|1,0,0]=3 752 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,2,0,0,0,0|0,0,2]=4 753 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,2,0,0,0,0|1,0,1]=4 754 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|0,0,2]=4 755 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|0,0,2]=4 756 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|0,0,2]=4 757 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|0,0,2]=4 758 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,2,0,0,0,0|1,0,0]=3 759 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,2,0,0,0,0|0,0,0]=2 760 B8R0.9 CCC(=O)CC=C(C)C CNP0559660.0 [0,2,0,0,0,0|0,0,0]=2 761 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,2,0,0,0,0|0,0,1]=3 762 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|0,0,2]=4 764 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|0,0,2]=4 765 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,2,0,0,0,0|0,0,1]=3 766 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,2,0,0,0,0|1,0,1]=4 767 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,2,0,0,0,0|0,0,2]=4 768 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,2,0,0,0,0|1,0,1]=4 769 B8R0.9 CNC(=O)/C=C/[S@@+](C)[O-] CNP0536692.1 [0,2,0,0,0,0|1,0,0]=3 770 B8R0.9 CNC(=O)/C=C/[S@@H+](C)[O-] CNP0584087.2 [0,2,0,0,0,0|1,0,0]=3 771 B8R0.9 CNC(=O)/C=C\[S@@+](C)[O-] CNP0536692.2 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.9 CNC(=O)/C=C\[S@@H+](C)[O-] CNP0584087.1 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.9 CNC(=O)CNC(=O)C CNP0066321.0 [0,2,0,0,0,0|1,0,1]=4 774 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,2,0,0,0,0|1,0,1]=4 775 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,2,0,0,0,0|1,0,1]=4 776 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [0,2,0,0,0,0|1,0,0]=3 777 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [0,2,0,0,0,0|1,0,1]=4 779 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,2,0,0,0,0|0,0,1]=3 780 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|0,0,1]=3 781 B8R0.25 CC=CC[Si](Cl)(Cl)CC CNP0279053.0 [0,2,0,0,0,0|1,1,0]=4 782 B8R0.14 CC(=CC=O)C(C)(C)C CNP0060587.0 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.14 CCCC(=O)C(C)(C)C CNP0077010.0 [0,2,0,0,0,0|0,0,2]=4 784 B8R0.14 CCOC(=O)C(C)(C)Br CNP0075932.0 [0,2,0,0,0,0|1,0,1]=4 785 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [0,2,0,0,0,0|1,0,1]=4 786 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,2,0,0,0,0|0,0,1]=3 787 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|0,0,1]=3 788 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [0,2,0,0,0,0|1,0,1]=4 789 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [0,2,0,0,0,0|1,0,1]=4 790 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|1,0,0]=3 791 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,1,0,0|1,0,1]=4 792 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,1,0,0|0,0,2]=4 793 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,1,0,0|0,1,1]=4 794 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|1,0,1]=4 795 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|0,1,1]=4 796 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,1,0,0|2,0,0]=4 797 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,1,0,0|2,0,0]=4 798 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|2,0,0]=4 799 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,1,0,0|2,0,0]=4 800 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|0,0,0]=2 801 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|1,0,0]=3 802 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,1,0,0|2,0,0]=4 803 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,1,0,0|2,0,0]=4 804 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,1,0,0|2,0,0]=4 805 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|1,0,1]=4 806 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,2]=4 807 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,1]=4 808 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,1]=4 809 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,0,1]=4 810 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 811 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,1]=4 812 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 813 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,0,1]=4 814 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,1,0,0|2,0,0]=4 815 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,1]=4 816 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,1,0,0|0,0,1]=3 817 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|0,0,1]=3 818 B6R1.1 C1=CCNC=C1 CNP0081217.0 [1,0,0,1,0,0|1,0,1]=4 819 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|1,0,1]=4 820 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,1,0,0|1,0,1]=4 821 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [1,0,0,1,0,0|1,0,1]=4 822 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,0]=3 823 B6R1.1 C1=CNCN=C1 CNP0472134.0 [1,0,0,1,0,0|2,0,0]=4 824 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|1,0,0]=3 825 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|2,0,0]=4 826 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,1]=4 827 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|0,0,1]=3 828 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|1,0,1]=4 829 B6R1.12 C=C1C(=O)[C@@H]1O CNP0264596.1 [1,0,0,1,0,0|1,0,0]=3 830 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [0,1,0,1,0,0|2,0,0]=4 831 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,1,0,0|0,0,2]=4 835 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|0,0,0]=2 836 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,1,0,0|0,0,1]=3 837 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,1,0,0|0,1,0]=3 838 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|0,0,2]=4 839 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,1,0,0|0,0,1]=3 840 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,1,0,0|0,1,0]=3 841 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,1,0,0|1,0,0]=3 842 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,1,0,0|1,0,0]=3 844 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,1,0,0|0,0,1]=3 847 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|0,0,2]=4 848 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|0,0,2]=4 849 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,1,0,1,0,0|1,1,0]=4 852 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,1,0,0|1,0,1]=4 853 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,1,0,0|1,1,0]=4 855 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,1,0,0|1,0,0]=3 858 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,1,0,1,0,0|2,0,0]=4 859 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,1,0,1,0,0|2,0,0]=4 860 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|0,0,2]=4 861 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,1,0,0|1,0,1]=4 862 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,1,0,0|1,0,1]=4 863 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,1,0,0|1,0,1]=4 865 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,1,0,1,0,0|0,0,2]=4 866 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,1,0,1,0,0|0,0,2]=4 867 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|0,0,0]=2 868 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|0,0,0]=2 869 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|0,0,0]=2 870 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,1]=4 871 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,1,0,0|1,0,0]=3 872 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|0,0,1]=3 873 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|1,0,1]=4 874 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,1,0,0|1,0,1]=4 876 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|0,0,2]=4 877 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|0,0,0]=2 878 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|0,0,2]=4 879 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,0]=2 880 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,0,2]=4 881 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,2]=4 882 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,0]=2 883 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,0,2]=4 884 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,2]=4 885 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|0,0,0]=2 886 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|1,0,0]=3 887 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|1,0,0]=3 888 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,1,0,0|2,0,0]=4 889 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,1,0,0|1,0,1]=4 890 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,1,0,0|0,1,1]=4 892 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|0,0,0]=2 893 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,1,0,0|1,0,1]=4 894 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,1,0,0|1,0,0]=3 895 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,1,0,0|1,0,1]=4 896 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,0]=3 897 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|1,0,1]=4 898 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,1,0,0|2,0,0]=4 899 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,1,0,0|1,0,1]=4 900 B8R1.18 CN1CC(=NC1=O)O CNP0592460.0 [0,1,0,1,0,0|2,0,0]=4 901 B8R1.18 CN1CC(=O)N=C1N CNP0309599.0 [0,1,0,1,0,0|2,0,0]=4 902 B8R1.18 CN1CC(=O)NC1=N CNP0525234.0 [0,1,0,1,0,0|2,0,0]=4 903 B8R1.18 CN1CC(=O)NC1=O CNP0220202.0 [0,1,0,1,0,0|2,0,0]=4 904 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|0,0,2]=4 905 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|1,0,1]=4 907 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,1,0,0|2,0,0]=4 908 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,1,0,0|1,0,0]=3 909 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|0,0,2]=4 910 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,1,0,0|2,0,0]=4 911 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,1,0,0|1,0,0]=3 912 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|1,0,1]=4 913 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,1,0,1,0,0|2,0,0]=4 914 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,1,0,0|1,0,1]=4 915 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,1,0,0|1,0,1]=4 916 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,1,0,1,0,0|1,0,1]=4 917 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,1,0,1,0,0|1,0,1]=4 918 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,1,0,1,0,0|1,0,1]=4 919 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|1,0,1]=4 920 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,1,0,1,0,0|1,0,1]=4 921 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,1,0,1,0,0|0,1,1]=4 922 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,1,0,0|1,0,1]=4 923 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|0,0,2]=4 924 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,1,0,0|0,0,1]=3 925 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|0,0,1]=3 926 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,1,0,1,0,0|0,0,2]=4 927 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|0,0,2]=4 928 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,1,0,0|0,0,2]=4 929 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|0,0,0]=2 930 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,1,0,1,0,0|0,0,2]=4 931 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|0,0,2]=4 932 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|0,0,2]=4 933 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,1,0,0|0,0,2]=4 934 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,1,0,0|0,0,1]=3 935 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,1,0,1,0,0|1,0,1]=4 936 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,1,0,0|1,0,0]=3 937 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,1,0,0|1,0,0]=3 938 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,1,0,0|1,0,1]=4 939 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,1,0,0|1,0,1]=4 940 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,1,0,1,0,0|1,0,1]=4 941 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|0,0,2]=4 942 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|1,0,1]=4 943 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|0,0,2]=4 944 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,2]=4 945 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|1,0,1]=4 946 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,1,0,1,0,0|0,0,2]=4 947 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|0,0,0]=2 948 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|0,0,0]=2 949 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|0,0,1]=3 950 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|0,0,2]=4 951 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|0,0,0]=2 953 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|0,0,2]=4 954 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|0,0,2]=4 955 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|0,0,2]=4 956 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,1,0,0|1,0,1]=4 958 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,1,0,0|1,0,0]=3 959 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|0,0,0]=2 960 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,1,0,0|0,0,0]=2 961 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,1,0,0|1,0,0]=3 962 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,1,0,0|1,0,0]=3 963 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,1,0,0|1,0,0]=3 964 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|1,0,1]=4 965 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,1,0,0|1,0,1]=4 966 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|0,0,0]=2 967 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|0,0,0]=2 968 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|1,0,1]=4 969 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|0,0,2]=4 970 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|0,0,2]=4 971 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|1,0,1]=4 972 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|1,0,1]=4 973 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|0,0,2]=4 974 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|1,0,1]=4 975 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|0,0,0]=2 976 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|0,0,1]=3 977 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,1,0,0|1,0,0]=3 978 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,1,0,0|2,0,0]=4 979 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,1,0,0|2,0,0]=4 980 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,1,0,0|0,0,2]=4 981 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,1,0,0|0,0,2]=4 982 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,1,0,1,0,0|2,0,0]=4 983 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,1,0,0|0,0,2]=4 984 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|0,0,2]=4 985 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|1,0,1]=4 986 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,1,0,0|0,0,2]=4 987 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,1,0,0|0,1,1]=4 988 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,1,0,0|0,0,2]=4 989 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,1,0,0|0,0,2]=4 990 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,1,0,1,0,0|2,0,0]=4 991 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,1,0,1,0,0|0,1,1]=4 992 B8R1.11 CC=C1CCN=C1O CNP0604159.0 [0,1,0,1,0,0|0,0,1]=3 993 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|0,0,0]=2 994 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|1,0,1]=4 995 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|0,0,1]=3 996 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|0,0,2]=4 997 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|0,0,2]=4 998 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|0,0,0]=2 999 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|0,0,0]=2 1000 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|0,0,2]=4 1001 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,1,0,0|1,0,1]=4 1002 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|1,0,1]=4 1003 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,1,0,0|0,0,2]=4 1004 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,1,0,0|0,0,2]=4 1005 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|1,0,1]=4