0 B5R0.1 C=CCC(C)O 2302-1-00 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 C=COC(C)=O 2324-1-50 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 CC#CC(=O)O 2521-1-13 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.1 CC(C)=CCBr 1300-9-X0 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)=CCCl 1300-5-X0 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CCCB(O)O 6160-1-X5 [0,0,0,0,0,0|1,0,3]=4 6 B5R0.1 CCCC(=O)Cl 2116-5-09 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [0,0,0,0,0,0|0,0,3]=3 8 B5R0.1 CCCC(C)O 2102-1-52 [0,0,0,0,0,0|1,0,3]=4 9 B5R0.1 CCNC(N)=O 4153-1-X1 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CCOC(=S)[S-] 6167-1-02 [0,0,0,0,0,0|1,2,1]=4 11 B5R0.1 COCC(=O)Cl 2116-5-X4 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CSCC(=O)O 6166-1-05 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 ClCC=C(Cl)Cl 1300-5-07 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 NC(=O)CCBr 4148-9-00 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.1 NC(=O)CCCl 4148-5-02 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 O=C(O)CCO 2129-1-Y8 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.1 C#CC(=O)O 2521-1-01 [1,0,0,0,0,0|0,0,2]=3 18 B4R0.1 C#CC(N)=O 4148-1-01 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=C(Br)CC 1300-9-24 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 C=C(C)CC 1300-1-21 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C=C(C)OC 2307-1-01 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.1 C=CC(=C)C 1300-1-49 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 C=CC(C)C 1300-1-26 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 C=CC(C)Cl 1300-5-41 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.1 CC(=O)C=O 2117-1-X0 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 CC(=O)C=O 2117-1-X0A [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CC(=O)CF 2117-3-10 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(=O)CO 2120-1-01 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(=O)NN 4156-1-2V [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 CC=C(Cl)Cl 1300-5-42 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 CCB(O)O 6160-1-X1 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 CCC(=N)N 3141-5-03 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 CNC(N)=S 7167-1-20 [1,0,0,0,0,0|2,1,0]=4 35 B4R0.1 COC(=N)N 8153-1-01 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 CSC(=N)N 7167-H-X1 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CSC(=N)N 8167-1-01 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C\C(Cl)=C/Cl 1300-5-18 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C\C(Cl)=C\Cl 1300-5-Z0 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 ClC=C(Cl)Cl 1300-5-03 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 NC(=O)CBr 4148-9-X4 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 NC(=O)CCl 4148-5-00 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 O=C(Br)CBr 2116-9-03 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 O=C(Cl)SCl 6171-5-00 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 O=C(O)CBr 2121-9-01 [1,0,0,0,0,0|1,0,1]=3 46 B4R0.1 O=C(O)CI 2121-H-00 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 O=C(O)CO 2129-1-20 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 O=CC(=O)O 2129-1-X4 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.2 C=CCCC 1300-1-09 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 CC#CCO 2501-1-04 [1,0,0,0,0,0|0,0,3]=4 51 B4R0.2 CNCCO 4156-1-3Y [1,0,0,0,0,0|1,0,2]=4 52 B4R0.2 C\C=C\CC 1300-1-05 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.2 Cl\C=C\CCl 1300-5-28 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.1 CCCC(=N)NO 4141-1-X1 [0,1,0,0,0,0|1,0,2]=4 55 B6R0.1 CCCC(=O)NN 4156-1-15 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.1 CCOC(=O)C=O 2323-1-X0 [0,1,0,0,0,0|1,0,2]=4 57 B6R0.1 CCOC(=O)CCl 2123-5-01 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(=O)CN 4158-5-25 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CCOC(=O)CS 6161-1-03 [0,1,0,0,0,0|1,1,1]=4 60 B6R0.1 CCOC(=O)NN 4156-1-55 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 CNCC(=O)OC 4158-5-X0 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.1 COC(=O)CC#N 4137-1-X2 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 COC(=O)CCN 4158-1-02 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 COC(=O)CSC 6166-1-06 [0,1,0,0,0,0|1,0,1]=3 65 B6R0.1 [C-]#[N+]CC(=O)OC 4149-1-06 [0,1,0,0,0,0|1,0,2]=4 66 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,1,0,0,0,0|1,0,2]=4 68 B6R0.2 CC(=O)NC(=N)N 3153-1-X0 [0,1,0,0,0,0|3,0,0]=4 69 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,1,0,0,0,0|1,0,0]=2 70 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.2 CC(C)=CB(O)O 6360-1-X3 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,1,0,0,0,0|0,0,0]=1 73 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,1,0,0,0,0|1,0,2]=4 74 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,1,0,0,0,0|0,0,3]=4 76 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [0,1,0,0,0,0|1,0,1]=3 78 B6R0.3 C=C(F)C(=O)OC 2324-3-76 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.3 CC(C#N)C(=O)O 4137-1-0Z [0,1,0,0,0,0|1,0,2]=4 81 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,1,0,0,0,0|0,0,2]=3 82 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,1,0,0,0,0|0,0,2]=3 84 B6R0.3 CNC(=O)C(=O)O 4156-1-Y4 [0,1,0,0,0,0|1,0,0]=2 85 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.3 COC(=O)C(=O)Cl 2129-5-0K [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 COC(=O)C(C)O 2129-1-70 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 CON(C)C(C)=O 4148-1-44 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.3 C\C=C(/C)C(=O)O 2321-1-17 [0,1,0,0,0,0|0,0,0]=1 90 B6R0.3 C\C=C(/C)C(=O)O 2321-1-E0 [0,1,0,0,0,0|0,0,0]=1 91 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.3 NCC(F)C(=O)O 4157-3-02 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,1,0,0,0,0|1,0,2]=4 94 B6R0.3 O=C(O)C(=O)CBr 2129-9-X3 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,1,0,0,0,0|0,0,2]=3 96 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,1,0,0,0,0|0,0,2]=3 97 B6R0.4 C#CCCC(=O)O 2521-1-02 [0,1,0,0,0,0|0,0,3]=4 98 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.4 C=CCOC(C)=O 2324-1-08 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CC(=O)CCCCl 2117-5-52 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 CC(=O)NCCCl 4148-5-15 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.4 CCC#CC(=O)O 2521-1-12 [0,1,0,0,0,0|0,0,2]=3 103 B6R0.4 CCCCC(=O)O 2121-1-0C [0,1,0,0,0,0|0,0,2]=3 104 B6R0.4 CCCOC(C)=O 2123-1-32 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.4 CCOCC(=O)Cl 2116-5-0F [0,1,0,0,0,0|1,0,2]=4 106 B6R0.4 CNCCC(N)=O 4148-1-30 [0,1,0,0,0,0|1,0,2]=4 107 B6R0.4 FC(F)=CCCBr 1300-B-25 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.4 NC(=O)NCCO 4153-1-02 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.4 NCCCC(=O)O 4157-1-X2 [0,1,0,0,0,0|0,0,2]=3 110 B6R0.4 NCCNC(N)=O 4153-5-07 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [0,1,0,0,0,0|1,0,2]=4 112 B6R0.5 CCOP(C)(=O)O 6177-1-37 [0,1,0,0,0,0|2,0,1]=4 113 B6R1.2 BrC1=CC=CO1 2H10-9-X4 [0,0,0,1,0,0|1,0,1]=3 114 B6R1.2 BrC1=COC=C1 2H10-9-Y2 [0,0,0,1,0,0|3,0,0]=4 115 B6R1.2 BrC1=CSC=C1 P612-A-43 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.2 BrC1=NNC=C1 4H51-1-R1 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.2 BrC1=NOC=C1 4H56-9-X8 [0,0,0,1,0,0|3,0,0]=4 118 B6R1.2 CC1=CC=CS1 5H66-1-X9 [0,0,0,1,0,0|1,1,1]=4 119 B6R1.2 CC1=CNC=C1 3H31-1-1N [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 CC1=CSC=C1 5H66-1-X5 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 CC1=NNC=C1 3H32-1-30 [0,0,0,1,0,0|3,0,0]=4 122 B6R1.2 ClC1=CC=CS1 5H66-5-X1 [0,0,0,1,0,0|1,1,1]=4 123 B6R1.2 ClC1=CSC=C1 5H70-5-X0 [0,0,0,1,0,0|3,0,0]=4 124 B6R1.2 ClC1=NNC=C1 3H31-5-1H [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 IC1=CC=CS1 5H66-H-04 [0,0,0,1,0,0|1,1,1]=4 126 B6R1.2 IC1=CSC=C1 5H66-H-03 [0,0,0,1,0,0|3,0,0]=4 127 B6R1.2 NC1=CC=NO1 4H30-1-35 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 NC1=CSC=C1 8H66-1-2Z [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 NC1=NC=CO1 P311-A-57 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 NC1=NNC=C1 3H30-1-U1 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 NC1=NNC=C1 P911-A-25 [0,0,0,1,0,0|3,0,0]=4 132 B6R1.2 NC1=NOC=C1 4H56-1-P6 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 O=C1C=CCC1 2417-1-X0 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.2 O=C1C=CSN1 8H70-1-M7 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 O=C1CCCC1 2217-1-01 [0,0,0,1,0,0|1,0,2]=4 136 B6R1.2 O=C1CCNC1 4H17-5-04 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 O=C1CCOC1 2H17-1-Y1 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 O=C1CCSC1 6H66-1-Y6 [0,0,0,1,0,0|2,0,1]=4 139 B6R1.2 O=C1N=CNN1 4H48-1-KB [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 O=C1NCCS1 8H70-1-8S [0,0,0,1,0,0|1,1,1]=4 141 B6R1.2 OC1=CC=NN1 4H01-1-5Y [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 SC1=CC=CS1 5H61-1-X0 [0,0,0,1,0,0|0,2,1]=4 143 B6R1.11 CC(=O)C1CC1 2217-1-X9 [0,0,0,1,0,0|1,0,2]=4 144 B6R1.11 O=C(Cl)C1CC1 2216-5-X1 [0,0,0,1,0,0|1,0,2]=4 145 B6R1.11 O=C(O)C1CC1 2221-1-X1 [0,0,0,1,0,0|0,0,2]=3 146 B3R0.1 C=CCBr 1300-9-02 [2,0,0,0,0,0|1,0,1]=4 147 B3R0.1 C=CCC 1300-1-25 [2,0,0,0,0,0|0,0,1]=3 148 B3R0.1 C=CCCl 1300-5-10 [2,0,0,0,0,0|1,0,1]=4 149 B3R0.1 C=CCF 1300-3-09 [2,0,0,0,0,0|1,0,1]=4 150 B3R0.1 C=CCI 1300-H-01 [2,0,0,0,0,0|1,0,1]=4 151 B3R0.1 CCC=O 2115-1-05 [2,0,0,0,0,0|0,0,1]=3 152 B3R0.1 C\C=C/C 1300-1-29 [2,0,0,0,0,0|0,0,1]=3 153 B3R0.1 C\C=C\C 1300-1-04 [2,0,0,0,0,0|0,0,1]=3 154 B3R0.1 C\C=C\Cl 1300-5-17 [2,0,0,0,0,0|1,0,0]=3 155 B3R0.1 C\C=C\Cl 1300-5-E1 [2,0,0,0,0,0|1,0,0]=3 156 B3R0.1 Cl\C=C\Cl 1300-5-13 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.2 C=C(C)C 1300-1-06 [2,0,0,0,0,0|2,0,0]=4 158 B3R0.2 C=C(C)Cl 1300-5-21 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.2 C=C(Cl)Cl 1300-5-11 [2,0,0,0,0,0|2,0,0]=4 160 B3R0.2 C=C(F)Cl 1300-7-03 [2,0,0,0,0,0|2,0,0]=4 161 B3R0.2 CB(O)O 6160-1-X6 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.2 CC(=O)Cl 2116-5-01 [2,0,0,0,0,0|1,0,0]=3 163 B3R0.2 CC(=O)O 4141-1-X0 [2,0,0,0,0,0|0,0,0]=2 164 B3R0.2 CC(=O)[O-] 2122-1-02 [2,0,0,0,0,0|0,0,1]=3 165 B3R0.2 CC(=O)[O-] 2122-1-19 [2,0,0,0,0,0|0,0,1]=3 166 B3R0.2 CC(=O)[O-] 2122-1-29 [2,0,0,0,0,0|0,0,1]=3 167 B3R0.2 CC(=O)[O-] 2122-1-46 [2,0,0,0,0,0|0,0,1]=3 168 B3R0.2 CC(=O)[O-] 2122-1-46H [2,0,0,0,0,0|0,0,1]=3 169 B3R0.2 CC(=O)[O-] M029-1-01 [2,0,0,0,0,0|0,0,1]=3 170 B3R0.2 CC(=O)[O-] M056-1-X0 [2,0,0,0,0,0|0,0,1]=3 171 B3R0.2 CC(=O)[S-] 6161-1-05 [2,0,0,0,0,0|0,1,0]=3 172 B3R0.2 CC(N)=S 7167-1-X0 [2,0,0,0,0,0|1,1,0]=4 173 B3R0.2 CS(=O)[O-] 6165-1-X0 [2,0,0,0,0,0|1,0,1]=4 174 B3R0.2 NC(N)=O 4153-1-01 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.2 O=C([O-])[O-] M019-0-02 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.2 O=C([O-])[O-] M021-1-04 [2,0,0,0,0,0|1,0,1]=4 177 B3R0.2 O=S([O-])O M011-1-06 [2,0,0,0,0,0|2,0,0]=4 178 B3R0.2 O=S([O-])O M011-1-06HP [2,0,0,0,0,0|2,0,0]=4 179 B5R0.3 C#CC(=O)OC 2523-1-X1 [1,1,0,0,0,0|0,0,2]=4 180 B5R0.3 CCC(=O)CBr 2117-9-01 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.3 COC(=O)CBr 2123-9-36 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.3 COC(=O)CN 4158-5-40 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.3 COC(=O)CO 2129-1-X2 [1,1,0,0,0,0|1,0,0]=3 184 B5R0.3 COC(=O)CS 6161-1-X3 [1,1,0,0,0,0|1,0,1]=4 185 B5R0.3 COC(=O)NN 4156-1-39 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.3 COS(=O)OC 6164-1-13 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.3 CO[PH](=O)OC 6177-1-0G [1,1,0,0,0,0|2,0,0]=4 188 B5R0.3 C\C(C=O)=C/N 4356-1-X1 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.4 C=CS(=O)(=O)F 6362-3-02 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.5 C=C(F)C(=O)O 2321-3-06 [1,1,0,0,0,0|0,0,0]=2 191 B5R0.5 CC(=O)C(=O)O 2129-1-03 [1,1,0,0,0,0|0,0,0]=2 192 B5R0.5 CC(=O)C(C)=O 2118-1-05 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.5 CC(=O)C(C)C 2117-1-13 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.5 CC(=O)C(C)F 2117-3-11 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.5 CC(=O)N(C)C 4148-1-08 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.5 CC(Br)C(N)=O 4157-9-X1 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.5 CC(C)=C(C)C 1300-1-X1 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,1,0,0,0,0|0,0,1]=3 200 B5R0.5 CC(N)C(N)=O 4158-5-X5 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,1,0,0,0,0|0,0,1]=3 202 B5R0.5 C[C@@H](O)C(N)=O 4148-1-R1 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,1,0,0,0,0|0,0,1]=3 204 B5R0.5 C[C@H](N)C(N)=O 4148-5-04 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,1,0,0,0,0|0,0,1]=3 206 B5R0.5 NC(=O)C(N)=O 4148-1-18 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.5 O=C(Cl)C(=O)Cl 2116-4-02 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.5 O=C(O)C(=O)O 2121-1-12 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.5 O=C(O)C(F)Br 2121-B-03 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.5 O=C(O)C(F)Cl 2121-7-03 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.5 O=C(O)C(F)F 2121-3-05 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.5 O=C(O)C(F)I 2121-K-01 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.5 O=C([O-])C(=O)[O-] 2122-0-00 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.5 O=C([O-])C(=O)[O-] 2122-1-06 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.5 O=C([O-])C(=O)[O-] M068-1-X0 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.5 O=C([O-])C(=O)[O-] M068-1-X1 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,1,0,0,0,0|0,0,1]=3 218 B5R0.2 BrC\C=C\CBr 1300-9-X6 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 CCCCC=O 2115-1-00 [1,1,0,0,0,0|0,0,2]=4 220 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [0,2,0,0,0,0|1,0,1]=4 222 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,2,0,0,0,0|0,0,1]=3 224 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [0,2,0,0,0,0|0,0,2]=4 225 B7R0.3 C=CCCC(=O)OC 2323-1-0J [0,2,0,0,0,0|0,0,2]=4 226 B7R0.3 C=CCOC(=O)OC 2328-1-02 [0,2,0,0,0,0|0,0,2]=4 227 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [0,2,0,0,0,0|0,0,0]=2 228 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [0,2,0,0,0,0|0,0,0]=2 229 B7R0.3 COC(=O)CCCBr 2123-9-0H [0,2,0,0,0,0|0,0,2]=4 230 B7R0.3 COC(=O)CCCN 4158-5-18 [0,2,0,0,0,0|0,0,2]=4 231 B7R0.3 COC(=O)\C=C\CBr 2323-9-X0 [0,2,0,0,0,0|0,0,0]=2 232 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [0,2,0,0,0,0|0,0,2]=4 234 B7R0.5 CCOC(=O)C(=O)Cl 2116-5-06 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.5 CCOC(=O)C(C)=O 2129-1-01 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.5 CCOC(=O)[C@H](C)O 2129-1-Y5 [0,2,0,0,0,0|1,0,1]=4 237 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [0,2,0,0,0,0|0,0,2]=4 238 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [0,2,0,0,0,0|0,0,2]=4 240 B7R0.7 C=COC(=O)CCC 2324-1-10 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.7 CC#CC(=O)OCC 2524-1-01 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.7 CCOC(=O)OCC 2123-1-11 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.7 C\C=C\C(=O)N=C=S 8368-1-01 [0,2,0,0,0,0|0,1,0]=3 244 B7R0.10 C=C(CBr)C(=O)OC 2324-9-00 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.10 C=C(CO)C(=O)OC 2329-1-05 [0,2,0,0,0,0|1,0,1]=4 246 B7R0.10 C=CC(O)C(=O)OC 2129-1-79 [0,2,0,0,0,0|0,0,2]=4 247 B7R0.10 CCC(Br)C(=O)OC 2123-9-13 [0,2,0,0,0,0|0,0,2]=4 248 B7R0.10 CC[C@@H](N)C(=O)OC 4158-5-R8 [0,2,0,0,0,0|0,0,2]=4 249 B7R0.10 COC(=O)C(=O)CBr 2129-9-X2 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.10 COC(=O)C(Cl)C=O 2123-5-16 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,2,0,0,0,0|0,0,2]=4 253 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.16 CC(=O)C(Cl)C(C)=O 2118-5-01 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,2,0,0,0,0|0,0,2]=4 256 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,2,0,0,0,0|0,0,2]=4 257 B7R0.16 CN(C)C(=O)C(=O)O 4156-1-Z5 [0,2,0,0,0,0|1,0,0]=3 258 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,2,0,0,0,0|0,0,2]=4 259 B7R0.13 CCC(C)(O)C(=O)O 2129-1-1P [0,2,0,0,0,0|0,0,2]=4 260 B7R0.13 CCC(F)(F)C(=O)O 2121-3-53 [0,2,0,0,0,0|0,0,2]=4 261 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,2,0,0,0,0|0,0,2]=4 262 B7R0.4 CCC\C=C\B(O)O 6360-1-E4 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,2,0,0,0,0|0,0,0]=2 264 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [0,2,0,0,0,0|0,0,0]=2 265 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,2,0,0,0,0|0,0,2]=4 266 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,2,0,0,0,0|0,0,2]=4 267 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,2,0,0,0,0|0,0,2]=4 268 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,2,0,0,0,0|0,0,2]=4 269 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.6 CC(=O)OCC(=O)Cl 2129-5-X0 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.6 CC(C)=NNC(N)=O 4153-1-0A [0,2,0,0,0,0|2,0,0]=4 273 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,2,0,0,0,0|0,0,2]=4 274 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,2,0,0,0,0|0,0,0]=2 275 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,2,0,0,0,0|0,0,2]=4 276 B7R0.6 N=C(N)NCC(=O)O 4156-1-60 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.6 O=C(O)\C=C/C(=O)O 2321-1-07 [0,2,0,0,0,0|0,0,1]=3 278 B7R0.6 O=C([O-])C#CC(=O)O 2522-1-19 [0,2,0,0,0,0|1,0,1]=4 279 B5R1.2 O=C1CCC1 2217-1-X6 [1,0,0,1,0,0|1,0,1]=4 280 B5R1.2 O=C1CCN1 4H48-1-F4 [1,0,0,1,0,0|1,0,1]=4 281 B5R1.3 C=CC1CO1 2309-1-02 [1,0,0,1,0,0|1,0,1]=4 282 B5R1.1 C1=CCCC1 1400-1-05 [1,0,0,1,0,0|1,0,1]=4 283 B5R1.1 C1=CCNC1 3431-1-X0 [1,0,0,1,0,0|1,0,1]=4 284 B5R1.1 C1=CCOC1 2H10-1-00 [1,0,0,1,0,0|0,0,1]=3 285 B5R1.1 C1=CNC=C1 3H31-1-02 [1,0,0,1,0,0|1,0,1]=4 286 B5R1.1 C1=CNN=C1 P612-A-12 [1,0,0,1,0,0|2,0,0]=4 287 B5R1.1 C1=COC=N1 4H56-1-T5 [1,0,0,1,0,0|1,0,1]=4 288 B5R1.1 C1=COCC1 2H10-1-X7 [1,0,0,1,0,0|0,0,1]=3 289 B5R1.1 C1=CON=C1 4H44-1-00 [1,0,0,1,0,0|1,0,0]=3 290 B5R1.1 C1=CSC=C1 5H66-1-07 [1,0,0,1,0,0|0,1,1]=4 291 B7R1.1 CCC1=CC=CO1 2H10-1-17 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.1 COC1=CSC=C1 6H07-1-01 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.1 NCC1=CC=CO1 4H56-1-1H [0,1,0,1,0,0|1,0,1]=4 294 B7R1.1 O=CC1=CC=CN1 4H15-1-L9 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.1 O=CC1=CC=CO1 2H15-1-14 [0,1,0,1,0,0|0,0,1]=3 296 B7R1.1 O=CC1=CC=CS1 6H15-1-Y1 [0,1,0,1,0,0|0,1,1]=4 297 B7R1.1 O=CC1=CNC=C1 4H15-1-Z9 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.1 O=CC1=COC=C1 2H15-1-X6 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.1 O=CC1=CSC=C1 6H15-1-X1 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.1 O=CC1=NNC=C1 4H15-1-1J [0,1,0,1,0,0|2,0,0]=4 301 B7R1.1 OCC1=CC=CO1 2H01-1-16 [0,1,0,1,0,0|0,0,2]=4 302 B7R1.1 OCC1=CC=CS1 6H01-1-X6 [0,1,0,1,0,0|0,1,1]=4 303 B7R1.1 OCC1=CSC=C1 6H01-1-X0 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.2 CC1=CC(=O)NO1 4H56-1-4S [0,1,0,1,0,0|0,0,0]=2 306 B7R1.2 CC1=CC(Br)=CS1 5H66-9-19 [0,1,0,1,0,0|1,1,0]=4 307 B7R1.2 CC1=CC(C)=NN1 3H31-1-X3 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.2 CC1=CC(C)=NO1 4H44-1-44 [0,1,0,1,0,0|1,0,0]=3 309 B7R1.2 CC1=CC(I)=NN1 3H32-H-0K [0,1,0,1,0,0|2,0,0]=4 310 B7R1.2 CC1=CC(N)=NN1 3H30-1-P9 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.2 CC1=CC(N)=NO1 4H30-1-Z1 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.2 CC1=CC=C(Br)S1 5H66-9-14 [0,1,0,1,0,0|1,1,0]=4 313 B7R1.2 CC1=CC=C(C)O1 2H10-1-X9 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.2 CC1=CC=C(C)S1 5H66-1-X3 [0,1,0,1,0,0|1,1,0]=4 315 B7R1.2 CC1=CC=C(I)S1 5H66-H-01 [0,1,0,1,0,0|1,1,0]=4 316 B7R1.2 CC1=CN=C(Br)S1 7H70-9-33 [0,1,0,1,0,0|1,1,0]=4 317 B7R1.2 CC1=CN=C(C)S1 7H66-1-X4 [0,1,0,1,0,0|1,1,0]=4 318 B7R1.2 CC1=CN=C(N)S1 7H30-1-W3 [0,1,0,1,0,0|1,1,0]=4 319 B7R1.2 CC1=CNC(C)=N1 3H31-1-Y7 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.2 CC1=CSC(Br)=N1 P612-A-22 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.2 CC1=CSC(C)=N1 7H70-1-1M [0,1,0,1,0,0|2,0,0]=4 322 B7R1.2 CC1=CSC(N)=N1 7H70-1-W9 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 CC1=CSC(S)=N1 7H61-1-X4 [0,1,0,1,0,0|1,1,0]=4 324 B7R1.2 CC1=NC(Br)=CN1 3H32-9-G9 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.2 CC1=NC(Br)=CS1 7H70-9-Z7 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.2 CC1=NC(I)=CN1 3H31-H-12 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.2 CC1=NC=C(Br)S1 7H66-9-X0 [0,1,0,1,0,0|1,1,0]=4 328 B7R1.2 CC1=NN(C)C=C1 3H32-1-2N [0,1,0,1,0,0|2,0,0]=4 329 B7R1.2 CC1=NN=C(N)O1 4H30-1-05 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,1,0,1,0,0|1,0,1]=4 331 B7R1.2 CC1=NNC(Cl)=C1 3H32-5-AX [0,1,0,1,0,0|2,0,0]=4 332 B7R1.2 CC1=NNC(O)=C1 4H01-1-32 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.2 CC1=NOC(N)=C1 4H30-1-Z2 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.2 CC1=NSC(N)=C1 7H70-9-43 [0,1,0,1,0,0|1,1,0]=4 335 B7R1.2 CN1C=C(O)C=N1 4H01-1-29 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.2 CN1C=CC(I)=N1 3H32-H-12 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.2 CN1C=CC(N)=N1 3H30-1-L7 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.2 O=C1C=CC(=O)N1 4H48-1-T0 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,1,0,1,0,0|1,0,1]=4 342 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,1,0,1,0,0|0,0,1]=3 343 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,1,0,1,0,0|1,0,1]=4 344 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,1,0,1,0,0|1,0,1]=4 345 B7R1.3 CC1=CCC=CC1 1200-1-0A [0,1,0,1,0,0|2,0,0]=4 346 B7R1.3 O=C1C=CC=NN1 4H48-1-E5 [0,1,0,1,0,0|1,0,1]=4 347 B7R1.3 O=C1C=CCCC1 2417-1-X1 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.3 O=C1C=CCCO1 2H25-1-78 [0,1,0,1,0,0|0,0,0]=2 349 B7R1.3 O=C1C=CN=CN1 4H48-1-03 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.3 O=C1CCCCO1 2H25-1-X4 [0,1,0,1,0,0|0,0,2]=4 351 B7R1.3 O=C1CCCOC1 2H17-1-09 [0,1,0,1,0,0|0,0,2]=4 352 B7R1.3 O=C1COCCN1 4H58-1-05 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.3 O=C1OCCCO1 2H28-1-13 [0,1,0,1,0,0|0,0,2]=4 354 B7R1.3 OC1=CC=CC=N1 4H01-1-1U [0,1,0,1,0,0|1,0,1]=4 355 B7R1.3 OC1=CC=NC=C1 4H01-1-N6 [0,1,0,1,0,0|1,0,1]=4 356 B7R1.3 OC1=CC=NC=N1 4H01-1-B7 [0,1,0,1,0,0|1,0,1]=4 357 B7R1.3 OC1=CC=NN=C1 4H01-1-3R [0,1,0,1,0,0|2,0,0]=4 358 B7R1.3 OC1=CN=CC=N1 4H01-1-5M [0,1,0,1,0,0|1,0,1]=4 359 B7R1.3 OC1=NC=CC=N1 4H01-1-0Q [0,1,0,1,0,0|1,0,1]=4 360 B7R1.3 OC1=NC=CC=N1 4H01-5-X7 [0,1,0,1,0,0|1,0,1]=4 361 B7R1.4 BrC1=C(Br)OC=C1 2H10-9-10 [0,1,0,1,0,0|1,0,1]=4 362 B7R1.4 CC1=C(I)C=NO1 4H56-H-X8 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.4 CN1N=CC=C1O 4H01-1-1R [0,1,0,1,0,0|2,0,0]=4 364 B7R1.4 O=C1NCCC1O 4H20-1-X1 [0,1,0,1,0,0|1,0,1]=4 365 B7R1.4 O=C1OCCC1Br 2125-9-01 [0,1,0,1,0,0|0,0,2]=4 366 B7R1.15 O=C1C=C([O-])C1=O 2418-1-11 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.12 O=C(O)C1CC1F 2221-3-0B [0,1,0,1,0,0|0,0,2]=4 368 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [0,1,0,1,0,0|0,0,2]=4 369 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [0,1,0,1,0,0|0,0,2]=4 370 B7R1.18 O=C(O)C1CNC1 P911-A-52 [0,1,0,1,0,0|0,0,2]=4 371 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [0,1,0,1,0,0|0,0,2]=4 372 B7R1.19 CC1(C(=O)O)CC1 2221-1-X3 [0,1,0,1,0,0|0,0,2]=4 373 B7R1.19 NC1(C(=O)O)CC1 4257-1-X0 [0,1,0,1,0,0|0,0,2]=4 374 B7R1.19 O=C(O)C1(F)CC1 2221-3-18 [0,1,0,1,0,0|0,0,2]=4 375 B7R1.19 O=C(O)C1(O)CC1 2229-1-X2 [0,1,0,1,0,0|0,0,2]=4