0 B5R0.1 C=COC(C)=O 2324-1-50 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 CC#CC(=O)O 2521-1-13 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(C)=CCBr 1300-9-X0 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(C)=CCCl 1300-5-X0 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(C)CCI 1100-H-X4 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(C)CCN 3130-1-X4 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(C)CCO 2101-1-53 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(N)CCO 4156-1-4D [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CCCB(O)O 6160-1-X5 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CCCC(=O)Cl 2116-5-09 [0,0,0,0,0,0|1,0,0]=1 10 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.1 CCCC(C)C 1100-1-04 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CCCC(C)O 2102-1-52 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 CCNC(N)=O 4153-1-X1 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 CCOC(=S)[S-] 6167-1-02 [0,0,0,0,0,0|2,1,0]=3 15 B5R0.1 CN(C)CCN 3132-1-X2 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 COCC(=O)Cl 2116-5-X4 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CSCC(=O)O 6166-1-05 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 C[C@@H](N)CCO 4156-1-RB [0,0,0,0,0,0|2,0,1]=3 19 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.1 ClCC=C(Cl)Cl 1300-5-07 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 N#CCC(N)=S 7167-1-W0 [0,0,0,0,0,0|1,1,1]=3 22 B5R0.1 N#CNC(=N)N 3141-1-X1 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 NC(=O)CCBr 4148-9-00 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.1 NC(=O)CCCl 4148-5-02 [0,0,0,0,0,0|1,0,0]=1 25 B5R0.1 O=C(O)CCO 2129-1-Y8 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 C#CC(=O)O 2521-1-01 [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 C#CC(N)=O 4148-1-01 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 C=C(Br)CC 1300-9-24 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 C=C(C)CBr 1300-9-00 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 C=C(C)CC 1300-1-21 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.1 C=C(C)CN 3330-1-X1 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 C=C(C)CN 3330-5-X0 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 C=C(C)OC 2307-1-01 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 C=C(Cl)CCl 1300-5-15 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 C=C(Cl)CF 1300-7-23 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 C=C(Cl)CO 2301-5-02 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 C=C(Cl)CO 2301-5-02T [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C=C(F)CBr 1300-B-49 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C=C(F)CCl 1300-7-14 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C=C(F)CN 3330-3-32 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C=C(F)CO 2301-3-03 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(=O)C=O 2117-1-X0 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 CC(=O)C=O 2117-1-X0A [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(=O)CF 2117-3-10 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CC(=O)CO 2120-1-01 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(=O)NN 4156-1-2V [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CC(N)CO 4156-1-92 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC=C(Cl)Cl 1300-5-42 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CCB(O)O 6160-1-X1 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CCC(=N)N 3141-5-03 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 CCC(C)Cl 1100-5-25 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 CCC(C)F 1100-3-47 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 CCC(C)I 1100-H-X6 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,0,0,0,0|1,0,2]=4 55 B4R0.1 CNC(N)=S 7167-1-20 [1,0,0,0,0,0|1,1,0]=3 56 B4R0.1 COC(=N)N 8153-1-01 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CSC(=N)N 7167-H-X1 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CSC(=N)N 8167-1-01 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 C[C@@H](N)CO 4156-1-R3 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C\C(N)=N\O 4147-1-X0 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 N=C(N)CCl 3141-5-X3 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 NC(=O)CBr 4148-9-X4 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 NC(=O)CCl 4148-5-00 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 O=C(Br)CBr 2116-9-03 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 O=C(Cl)SCl 6171-5-00 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 O=C(O)CBr 2121-9-01 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 O=C(O)CI 2121-H-00 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 O=C(O)CO 2129-1-20 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.1 O=CC(=O)O 2129-1-X4 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 O=S([O-])CO 6165-1-06 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.1 O=[N+]([O-])CBr 4154-9-X0 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 [C@@H](C)(N)CO 4156-1-Y5 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 BrCCCBr 1100-9-13 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 C#CCCC 1500-1-X1 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 C#CCCO P311-A-35 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 C#COCC 2507-1-01 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 C=CCCBr 1300-9-04 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.2 C=CCCC 1300-1-09 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 CCCC#N 3137-1-Y3 [1,0,0,0,0,0|0,0,2]=3 82 B4R0.2 CCCCBr 1100-9-15 [1,0,0,0,0,0|1,0,1]=3 83 B4R0.2 CCCCF 1100-3-32 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.2 CCNCC 3133-5-06 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 CCOCC 6160-3-09 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 CCOCCl 2107-5-01 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 CNCCCl 3133-5-05 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 CNCCN 3131-1-11 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.2 CNCCO 4156-1-3Y [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 COCC#N 4137-1-Y6 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.2 COCCBr 2107-9-X1 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 COCCCl 2107-5-0R [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 COCCN 4130-1-X3 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.2 COCOC 2108-1-07 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.2 CSCCN 7166-1-X1 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.2 C\C=C\CC 1300-1-05 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.2 ClCCCCl 1100-5-19 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 ClCCCI 1100-M-01 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 Cl\C=C\CCl 1300-5-28 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 FCCCF 1100-3-16 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 FCCCI 1100-K-35 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 ICCCI 1100-H-X0 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 N#CCCO 4137-1-Y3 [1,0,0,0,0,0|1,0,2]=4 104 B4R0.2 NCCCBr 3130-9-X0 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.2 NCCCCl 3130-5-03 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.2 NCCCF 3130-7-13 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.2 NNCCO 4139-1-01 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.2 OCCCBr 2101-9-X2 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.2 OCCCCl 2101-5-13 [1,0,0,0,0,0|1,0,2]=4 110 B4R0.2 OCCCF 2101-3-50 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.2 OCCCI 2101-H-01 [1,0,0,0,0,0|1,0,2]=4 112 B4R0.2 OCCCO 2104-1-11 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.1 CCCC(=N)NO 4141-1-X1 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.1 CCCC(=O)NN 4156-1-15 [0,1,0,0,0,0|0,0,0]=1 115 B6R0.1 CCCC(C)CCl 1100-5-0A [0,1,0,0,0,0|2,0,1]=4 116 B6R0.1 CCCC(O)CO 2104-1-0A [0,1,0,0,0,0|1,0,2]=4 117 B6R0.1 CCNC(=S)NN 7167-1-11 [0,1,0,0,0,0|1,1,0]=3 118 B6R0.1 CCOC(=O)C=O 2323-1-X0 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.1 CCOC(=O)CCl 2123-5-01 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.1 CCOC(=O)CN 4158-5-25 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.1 CCOC(=O)CS 6161-1-03 [0,1,0,0,0,0|2,0,0]=3 122 B6R0.1 CCOC(=O)NN 4156-1-55 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.1 CNC(=O)CC#N 4148-1-X3 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.1 CNC(=O)CCN 4148-1-13 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.1 CNCC(=O)OC 4158-5-X0 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.1 COC(=O)CC#N 4137-1-X2 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.1 COC(=O)CCN 4158-1-02 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.1 COC(=O)CSC 6166-1-06 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.1 [C-]#[N+]CC(=O)OC 4149-1-06 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,1,0,0,0,0|1,0,0]=2 132 B6R0.2 CC(=O)NC(=N)N 3153-1-X0 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,1,0,0,0,0|1,0,2]=4 134 B6R0.2 CC(=O)\C=C(\C)[O-] 9128-1-X0 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,1,0,0,0,0|1,0,2]=4 136 B6R0.2 CC(C)CB(O)O 6160-1-X3 [0,1,0,0,0,0|2,0,1]=4 137 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,1,0,0,0,0|0,0,0]=1 138 B6R0.2 CC(C)NC(N)=S 7167-1-18 [0,1,0,0,0,0|1,1,0]=3 139 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.2 CC(O)CC(C)O 2104-1-X3 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.2 CN(C)CC(N)=S 7167-5-01 [0,1,0,0,0,0|1,1,0]=3 144 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [0,1,0,0,0,0|1,0,2]=4 145 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.3 CC(C#N)C(=O)O 4137-1-0Z [0,1,0,0,0,0|2,0,1]=4 148 B6R0.3 CCC(Br)C(C)Br 1100-9-10 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,1,0,0,0,0|1,0,0]=2 152 B6R0.3 CNC(=O)C(=O)O 4156-1-Y4 [0,1,0,0,0,0|2,0,1]=4 153 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.3 COC(=O)C(=O)Cl 2129-5-0K [0,1,0,0,0,0|2,0,1]=4 155 B6R0.3 CON(C)C(C)=O 4148-1-44 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.3 C\C=C(/C)C(=O)O 2321-1-17 [0,1,0,0,0,0|1,0,2]=4 157 B6R0.3 C\C=C(/C)C(=O)O 2321-1-E0 [0,1,0,0,0,0|1,0,2]=4 158 B6R0.3 C\C=C(/C)C(C)=O 2317-1-02 [0,1,0,0,0,0|1,0,2]=4 159 B6R0.3 N#CC(N)C(N)=O 4148-1-X1 [0,1,0,0,0,0|1,0,1]=3 160 B6R0.3 NCC(F)C(=O)O 4157-3-02 [0,1,0,0,0,0|2,0,0]=3 161 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.3 O=C(O)C(=O)CBr 2129-9-X3 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.4 C#CCCC(=O)O 2521-1-02 [0,1,0,0,0,0|1,0,1]=3 166 B6R0.4 C#CCNC(N)=O 4553-1-01 [0,1,0,0,0,0|0,0,2]=3 167 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [0,1,0,0,0,0|1,0,1]=3 168 B6R0.4 C=CCOC(C)=O 2324-1-08 [0,1,0,0,0,0|1,0,2]=4 169 B6R0.4 CC(=O)CCCCl 2117-5-52 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.4 CC(=O)NCCCl 4148-5-15 [0,1,0,0,0,0|2,0,0]=3 171 B6R0.4 CCC#CC(=O)O 2521-1-12 [0,1,0,0,0,0|1,0,1]=3 172 B6R0.4 CCCCB(O)O 6160-1-06 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.4 CCCCC(=O)O 2121-1-0C [0,1,0,0,0,0|1,0,0]=2 174 B6R0.4 CCCNC(N)=S 7167-1-23 [0,1,0,0,0,0|0,1,0]=2 175 B6R0.4 CCCOC(C)=O 2123-1-32 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.4 CCCO[N+](=O)[O-] 4154-1-11 [0,1,0,0,0,0|2,0,0]=3 177 B6R0.4 CCOCC(=O)Cl 2116-5-0F [0,1,0,0,0,0|1,0,0]=2 178 B6R0.4 CN(C)CCCBr 3132-9-03 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.4 CN(C)CCCCl 3132-5-X0 [0,1,0,0,0,0|3,0,0]=4 180 B6R0.4 CN(C)CCCO 4156-1-40 [0,1,0,0,0,0|3,0,0]=4 181 B6R0.4 CNCCC(N)=O 4148-1-30 [0,1,0,0,0,0|0,0,0]=1 182 B6R0.4 FC(F)=CCCBr 1300-B-25 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.4 NC(=O)NCCO 4153-1-02 [0,1,0,0,0,0|1,0,0]=2 184 B6R0.4 NCCCC(=O)O 4157-1-X2 [0,1,0,0,0,0|1,0,0]=2 185 B6R0.4 NCCNC(N)=O 4153-5-07 [0,1,0,0,0,0|1,0,0]=2 186 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [0,1,0,0,0,0|1,0,0]=2 187 B6R0.5 CCCS(=O)(=O)Cl 6162-5-05 [0,1,0,0,0,0|2,0,0]=3 188 B6R0.5 CCCS(N)(=O)=O P612-A-86 [0,1,0,0,0,0|1,0,0]=2 189 B6R0.5 CCOP(C)(=O)O 6177-1-37 [0,1,0,0,0,0|3,0,0]=4 190 B6R0.5 CS(=O)(=O)CCN 8163-5-X0 [0,1,0,0,0,0|3,0,0]=4 191 B6R0.5 NCCP(=O)(O)O 8177-1-35 [0,1,0,0,0,0|3,0,0]=4 192 B6R0.5 O=S(=O)(O)CCO 6164-1-0E [0,1,0,0,0,0|3,0,0]=4 193 B6R1.2 BrC1CCCC1 1200-9-01 [0,0,0,1,0,0|2,0,1]=4 194 B6R1.2 CC1CCCC1 1200-1-07 [0,0,0,1,0,0|2,0,1]=4 195 B6R1.2 CC1CCCO1 2H10-1-01 [0,0,0,1,0,0|1,0,2]=4 196 B6R1.2 C[C@@H]1CCCN1 3H31-5-3F [0,0,0,1,0,0|1,0,1]=3 197 B6R1.2 C[C@H]1CCCN1 3H31-5-S6 [0,0,0,1,0,0|1,0,1]=3 198 B6R1.2 ClC1CCCC1 1200-5-02 [0,0,0,1,0,0|2,0,1]=4 199 B6R1.2 NC1=NCCS1 7H30-5-01 [0,0,0,1,0,0|1,1,0]=3 200 B6R1.2 NC1CCOC1 4H30-1-07 [0,0,0,1,0,0|2,0,1]=4 201 B6R1.2 NC1CCOC1 4H56-5-2A [0,0,0,1,0,0|2,0,1]=4 202 B6R1.2 N[C@@H]1CCOC1 4H56-1-R04 [0,0,0,1,0,0|2,0,1]=4 203 B6R1.2 N[C@@H]1CCOC1 4H56-5-R0 [0,0,0,1,0,0|2,0,1]=4 204 B6R1.2 N[C@H]1CCOC1 4H56-1-S13 [0,0,0,1,0,0|2,0,1]=4 205 B6R1.2 O=C1C=CCC1 2417-1-X0 [0,0,0,1,0,0|1,0,1]=3 206 B6R1.2 O=C1C=CSN1 8H70-1-M7 [0,0,0,1,0,0|1,0,2]=4 207 B6R1.2 O=C1CCCC1 2217-1-01 [0,0,0,1,0,0|1,0,0]=2 208 B6R1.2 O=C1CCNC1 4H17-5-04 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.2 O=C1CCOC1 2H17-1-Y1 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.2 O=C1CCSC1 6H66-1-Y6 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.2 O=C1N=CNN1 4H48-1-KB [0,0,0,1,0,0|2,0,1]=4 212 B6R1.2 O=C1NCCS1 8H70-1-8S [0,0,0,1,0,0|1,0,0]=2 213 B6R1.2 S=C1CCCN1 7H67-1-31 [0,0,0,1,0,0|0,1,0]=2 214 B6R1.5 NC1CC(O)C1 4256-1-30 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.10 C[Si]1(C)CCC1 5180-1-07 [0,0,0,1,0,0|2,1,0]=4 216 B6R1.11 CC(=O)C1CC1 2217-1-X9 [0,0,0,1,0,0|1,0,0]=2 217 B6R1.11 CC(N)C1CC1 P911-A-20 [0,0,0,1,0,0|1,0,1]=3 218 B6R1.11 CC(O)C1CC1 2202-1-14 [0,0,0,1,0,0|1,0,2]=4 219 B6R1.11 N=C(N)C1CC1 3241-5-X2 [0,0,0,1,0,0|1,0,0]=2 220 B6R1.11 O=C(Cl)C1CC1 2216-5-X1 [0,0,0,1,0,0|1,0,0]=2 221 B6R1.11 O=C(O)C1CC1 2221-1-X1 [0,0,0,1,0,0|1,0,0]=2 222 B6R1.11 OB(O)C1CC1 P911-A-22 [0,0,0,1,0,0|2,0,1]=4 223 B3R0.1 BrCCI 1100-S-04 [2,0,0,0,0,0|2,0,0]=4 224 B3R0.1 C#CCC 1500-1-05 [2,0,0,0,0,0|0,0,2]=4 225 B3R0.1 C=CCBr 1300-9-02 [2,0,0,0,0,0|1,0,1]=4 226 B3R0.1 C=CCC 1300-1-25 [2,0,0,0,0,0|0,0,1]=3 227 B3R0.1 C=CCCl 1300-5-10 [2,0,0,0,0,0|1,0,1]=4 228 B3R0.1 C=CCF 1300-3-09 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.1 C=CCI 1300-H-01 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.1 CCC=O 2115-1-05 [2,0,0,0,0,0|0,0,0]=2 231 B3R0.1 CCCBr 1100-9-37 [2,0,0,0,0,0|1,0,0]=3 232 B3R0.1 CCCC 1100-1-X0 [2,0,0,0,0,0|0,0,1]=3 233 B3R0.1 CCCCl 1100-5-01 [2,0,0,0,0,0|1,0,0]=3 234 B3R0.1 CCCI 1100-H-X9 [2,0,0,0,0,0|1,0,0]=3 235 B3R0.1 CCNN 3139-5-05 [2,0,0,0,0,0|1,0,0]=3 236 B3R0.1 COCBr 2107-9-01 [2,0,0,0,0,0|2,0,0]=4 237 B3R0.1 C\C=C/C 1300-1-29 [2,0,0,0,0,0|1,0,1]=4 238 B3R0.1 C\C=C\C 1300-1-04 [2,0,0,0,0,0|1,0,1]=4 239 B3R0.1 C\C=C\Cl 1300-5-17 [2,0,0,0,0,0|1,0,1]=4 240 B3R0.1 C\C=C\Cl 1300-5-E1 [2,0,0,0,0,0|1,0,1]=4 241 B3R0.1 ClCCCl 1100-5-15 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.1 ClCCI 1100-M-00 [2,0,0,0,0,0|2,0,0]=4 243 B3R0.1 FCCCl 1100-7-05 [2,0,0,0,0,0|2,0,0]=4 244 B3R0.1 FCCI 1100-K-18 [2,0,0,0,0,0|2,0,0]=4 245 B3R0.1 NCCBr 3130-9-X1 [2,0,0,0,0,0|1,0,0]=3 246 B3R0.1 NCCCl 3130-5-01 [2,0,0,0,0,0|1,0,0]=3 247 B3R0.1 NCCF 3130-7-04 [2,0,0,0,0,0|1,0,0]=3 248 B3R0.1 NCCS 7161-5-01 [2,0,0,0,0,0|1,0,0]=3 249 B3R0.1 OCCBr 2101-9-02 [2,0,0,0,0,0|1,0,1]=4 250 B3R0.2 C=C(C)C 1300-1-06 [2,0,0,0,0,0|2,0,0]=4 251 B3R0.2 C=C(C)Cl 1300-5-21 [2,0,0,0,0,0|2,0,0]=4 252 B3R0.2 CC(=O)Cl 2116-5-01 [2,0,0,0,0,0|1,0,0]=3 253 B3R0.2 CC(=O)O 4141-1-X0 [2,0,0,0,0,0|1,0,0]=3 254 B3R0.2 CC(=O)[O-] 2122-1-02 [2,0,0,0,0,0|1,0,0]=3 255 B3R0.2 CC(=O)[O-] 2122-1-19 [2,0,0,0,0,0|1,0,0]=3 256 B3R0.2 CC(=O)[O-] 2122-1-29 [2,0,0,0,0,0|1,0,0]=3 257 B3R0.2 CC(=O)[O-] 2122-1-46 [2,0,0,0,0,0|1,0,0]=3 258 B3R0.2 CC(=O)[O-] 2122-1-46H [2,0,0,0,0,0|1,0,0]=3 259 B3R0.2 CC(=O)[O-] M029-1-01 [2,0,0,0,0,0|1,0,0]=3 260 B3R0.2 CC(=O)[O-] M056-1-X0 [2,0,0,0,0,0|1,0,0]=3 261 B3R0.2 CC(=O)[S-] 6161-1-05 [2,0,0,0,0,0|1,0,0]=3 262 B3R0.2 CC(C)N 3130-5-X1 [2,0,0,0,0,0|1,0,1]=4 263 B3R0.2 CC(N)=S 7167-1-X0 [2,0,0,0,0,0|0,1,0]=3 264 B3R0.2 CS(=O)[O-] 6165-1-X0 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.2 N=C(N)Cl 3141-5-X4 [2,0,0,0,0,0|2,0,0]=4 266 B3R0.2 N=C(N)N 3141-5-X1 [2,0,0,0,0,0|2,0,0]=4 267 B3R0.2 NC(N)=O 4153-1-01 [2,0,0,0,0,0|1,0,0]=3 268 B3R0.2 O=C([O-])[O-] M019-0-02 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.2 O=C([O-])[O-] M021-1-04 [2,0,0,0,0,0|2,0,0]=4 270 B5R0.3 C#CC(=O)OC 2523-1-X1 [1,1,0,0,0,0|2,0,0]=4 271 B5R0.3 CCC(=O)CBr 2117-9-01 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.3 CCC(C)C=O 2115-1-0C [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 CCC(C)CN 3130-1-X5 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 CCC(N)CC 3130-1-14 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.3 CCC(N)CO 4156-1-38 [1,1,0,0,0,0|0,0,2]=4 276 B5R0.3 CCC(O)CN 4156-1-Z4 [1,1,0,0,0,0|0,0,2]=4 277 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [1,1,0,0,0,0|0,0,2]=4 278 B5R0.3 CC[C@H](N)CO 4156-1-W2 [1,1,0,0,0,0|0,0,2]=4 279 B5R0.3 CNC(=S)NN 7167-1-19 [1,1,0,0,0,0|1,1,0]=4 280 B5R0.3 COC(=O)CBr 2123-9-36 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.3 COC(=O)CN 4158-5-40 [1,1,0,0,0,0|1,0,0]=3 282 B5R0.3 COC(=O)CO 2129-1-X2 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.3 COC(=O)CS 6161-1-X3 [1,1,0,0,0,0|2,0,0]=4 284 B5R0.3 COC(=O)NN 4156-1-39 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.3 CSC(=N)NN 7167-H-X0 [1,1,0,0,0,0|2,0,0]=4 286 B5R0.3 CSC(=S)NN 8169-1-0B [1,1,0,0,0,0|1,1,0]=4 287 B5R0.3 O=C(CBr)CBr 2117-9-03 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.3 O=C(CF)CF 2117-3-09 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.4 CCS(C)(=O)=O 6163-1-0B [1,1,0,0,0,0|2,0,0]=4 290 B5R0.4 CCS(N)(=O)=O 8169-1-03 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.5 C=C(C)C(C)C 1300-1-24 [1,1,0,0,0,0|2,0,0]=4 292 B5R0.5 CC(=O)C(=O)O 2129-1-03 [1,1,0,0,0,0|1,0,1]=4 293 B5R0.5 CC(=O)C(C)=O 2118-1-05 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.5 CC(=O)C(C)C 2117-1-13 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.5 CC(=O)C(C)F 2117-3-11 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.5 CC(=O)C(F)F 2117-3-13 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.5 CC(=O)N(C)C 4148-1-08 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.5 CC(Br)C(N)=O 4157-9-X1 [1,1,0,0,0,0|0,0,0]=2 299 B5R0.5 CC(C)C(=N)N 3141-5-X0 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,1,0,0,0,0|1,0,0]=3 301 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.5 CC(N)C(N)=O 4158-5-X5 [1,1,0,0,0,0|0,0,0]=2 303 B5R0.5 CN(C)C(=N)N 3141-5-00 [1,1,0,0,0,0|2,0,0]=4 304 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.5 C[C@@H](O)C(N)=O 4148-1-R1 [1,1,0,0,0,0|0,0,0]=2 306 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.5 C[C@H](N)C(N)=O 4148-5-04 [1,1,0,0,0,0|0,0,0]=2 308 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,1,0,0,0,0|1,0,0]=3 309 B5R0.5 NC(=O)C(Cl)Cl 4148-5-X4 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.5 NC(=O)C(F)Br 4148-B-02 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.5 NC(=O)C(F)Cl 4148-7-03 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.5 NC(=O)C(F)F 4148-3-18 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.5 NC(=O)C(F)I 4148-K-01 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.5 NC(=O)C(N)=O 4148-1-18 [1,1,0,0,0,0|1,0,1]=4 315 B5R0.5 O=C(Cl)C(Cl)Cl 2116-5-00 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.5 O=C(O)C(F)Br 2121-B-03 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.5 O=C(O)C(F)Cl 2121-7-03 [1,1,0,0,0,0|2,0,0]=4 318 B5R0.5 O=C(O)C(F)F 2121-3-05 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.5 O=C(O)C(F)I 2121-K-01 [1,1,0,0,0,0|2,0,0]=4 320 B5R0.5 O=C([O-])C(F)Br 2122-B-01 [1,1,0,0,0,0|2,0,0]=4 321 B5R0.5 O=C([O-])C(F)Cl 2122-7-01 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.5 O=C([O-])C(F)F 2122-3-02 [1,1,0,0,0,0|2,0,0]=4 323 B5R0.5 O=C([O-])C(F)F 2122-3-07 [1,1,0,0,0,0|2,0,0]=4 324 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.2 BrCCCCBr 1100-9-14 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.2 C#CCCCC 1500-1-X2 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.2 C#CCCCCl 1500-5-X0 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.2 C#CCCCO 2501-1-01 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 C=CCCCBr 1300-9-13 [1,1,0,0,0,0|1,0,0]=3 330 B5R0.2 C=CCCCC 1300-1-48 [1,1,0,0,0,0|1,0,0]=3 331 B5R0.2 CCCCC=O 2115-1-00 [1,1,0,0,0,0|0,0,0]=2 332 B5R0.2 CCCCCC 1100-1-18 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.2 CCCCCF 1100-3-65 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 CCCCCN 3130-1-X6 [1,1,0,0,0,0|0,0,1]=3 335 B5R0.2 CCCN=C=S 7168-1-26 [1,1,0,0,0,0|0,1,1]=4 336 B5R0.2 CCNCCN 3130-1-X2 [1,1,0,0,0,0|0,0,1]=3 337 B5R0.2 CCSCCCl 5166-5-01 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.2 CNCCNC 3131-1-17 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.2 COCCCBr 2107-9-02 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.2 COCCOC 2108-1-00 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.2 CSCCCN 8166-1-X3 [1,1,0,0,0,0|0,0,1]=3 342 B5R0.2 ClCCCCI 1100-M-14 [1,1,0,0,0,0|1,0,1]=4 343 B5R0.2 FCCCCBr 1100-B-22 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.2 ICCCCI 1100-H-14 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.2 O=C=NCCCl 4149-5-X0 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.2 OCCCCF 2101-3-1V [1,1,0,0,0,0|0,0,2]=4 347 B5R0.2 SCCCCS 5161-1-05 [1,1,0,0,0,0|0,1,1]=4 348 B7R0.2 CC(C)NC(=S)NN 7167-1-17 [0,2,0,0,0,0|1,1,0]=4 349 B7R0.2 CCC(C)CC(C)N 3130-5-X2 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,2,0,0,0,0|0,0,1]=3 351 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.3 C=CC(=O)OCCO 2324-1-12 [0,2,0,0,0,0|2,0,0]=4 356 B7R0.3 C=CCCC(=O)OC 2323-1-0J [0,2,0,0,0,0|1,0,1]=4 357 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.3 CNCCC(=O)NC 4148-1-31 [0,2,0,0,0,0|0,0,0]=2 360 B7R0.3 COC(=O)CCCBr 2123-9-0H [0,2,0,0,0,0|1,0,0]=3 361 B7R0.3 COC(=O)CCCN 4158-5-18 [0,2,0,0,0,0|1,0,0]=3 362 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [0,2,0,0,0,0|0,0,1]=3 364 B7R0.5 CCOC(=O)C(=O)Cl 2116-5-06 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.5 CCOC(=O)C(C)=O 2129-1-01 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.5 CCOC(=O)C(C)Br 2123-9-03 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.5 CCOC(=O)C(C)F 2123-3-61 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.5 CCOC(=O)C(F)Br 2123-B-04 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.5 CCOC(=O)C(F)Cl 2123-7-04 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.5 CCOC(=O)C(F)F 2123-3-10 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.5 CCOC(=O)C(F)I 2123-K-02 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.5 CCOC(=O)C(N)=S 8167-1-X0 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.5 CCOC(=O)[C@@H](C)F 2123-3-1Y [0,2,0,0,0,0|2,0,0]=4 374 B7R0.5 CCOC(=O)[C@H](C)O 2129-1-Y5 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.5 CN(C)C(=O)CC#N 4148-1-X6 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [0,2,0,0,0,0|1,0,0]=3 379 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.7 C=COC(=O)CCC 2324-1-10 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.7 CC#CC(=O)OCC 2524-1-01 [0,2,0,0,0,0|2,0,0]=4 382 B7R0.7 CCCC(=O)CCC 2117-1-15 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.7 CCNC(=O)CC#N 4148-1-X5 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.7 CCOC(=O)CC#N 4137-1-01 [0,2,0,0,0,0|1,0,1]=4 385 B7R0.7 CCOC(=O)CCN 4158-5-01 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.7 CCOC(=O)N=C=S 8168-1-X1 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.7 CCOC(=O)OCC 2123-1-11 [0,2,0,0,0,0|2,0,0]=4 388 B7R0.7 O=C(CCCl)CCCl 2117-5-07 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.10 CCC(Br)C(=O)OC 2123-9-13 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.10 CC[C@@H](N)C(=O)OC 4158-5-R8 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.10 COC(=O)C(Br)CBr 2123-9-32 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.10 COC(=O)[C@@H](N)CN 4158-5-S0 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.9 CC(=O)CC(F)(F)F 2117-3-44 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.9 CC(=O)CS(C)(=O)=O 6163-1-06 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,2,0,0,0,0|1,0,0]=3 396 B7R0.9 CC(C)(C)NC(N)=S 7167-1-04 [0,2,0,0,0,0|1,1,0]=4 397 B7R0.9 CC(C)(C)OC(N)=O 4156-1-65 [0,2,0,0,0,0|1,0,0]=3 398 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,2,0,0,0,0|1,0,0]=3 399 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.9 O=C(Cl)CC(F)(F)F 2116-7-33 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.9 O=C(O)CC(F)(F)F 2121-3-11 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.16 CC(=O)C(Cl)C(C)=O 2118-5-01 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,2,0,0,0,0|1,0,0]=3 405 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,2,0,0,0,0|1,0,0]=3 406 B7R0.16 NC(=O)C(N)C(N)=O 4148-1-07 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.13 CC(C)(CF)C(=O)O 2121-3-0B [0,2,0,0,0,0|2,0,0]=4 408 B7R0.13 CC(C)(CN)C(N)=O 4148-1-38 [0,2,0,0,0,0|1,0,0]=3 409 B7R0.13 CCC(C)(O)C(=O)O 2129-1-1P [0,2,0,0,0,0|1,0,0]=3 410 B7R0.13 CCC(F)(F)C(=O)O 2121-3-53 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.13 CCC(F)(F)C(=O)[O-] 2122-3-53 [0,2,0,0,0,0|1,0,0]=3 412 B7R0.14 CCC(C)S(C)(=O)=O 6163-1-01 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.15 COC(OC)C(C)=O 2117-1-16 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [0,2,0,0,0,0|1,0,0]=3 416 B7R0.4 CCCCNC(N)=S 7167-1-03 [0,2,0,0,0,0|0,1,0]=3 417 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.4 COCCNC(N)=S 8168-1-16 [0,2,0,0,0,0|0,1,0]=3 420 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,2,0,0,0,0|1,0,0]=3 422 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.6 CC(=O)OCC(=O)Cl 2129-5-X0 [0,2,0,0,0,0|1,0,1]=4 426 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.6 CC(=O)\C=C\C(C)C 2317-1-04 [0,2,0,0,0,0|1,0,1]=4 428 B7R0.6 CC(C)=NNC(N)=O 4153-1-0A [0,2,0,0,0,0|1,0,1]=4 429 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,2,0,0,0,0|1,0,0]=3 430 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,2,0,0,0,0|1,0,0]=3 431 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,2,0,0,0,0|1,0,0]=3 432 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.6 O=C(Cl)OCC(F)F 2123-7-00 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.8 CCCCS(=O)(=O)Cl 6162-5-09 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.8 CS(=O)(=O)CCCO 6163-1-0D [0,2,0,0,0,0|2,0,0]=4 437 B7R0.8 O=S(=O)(Cl)CCCCl 6162-5-X2 [0,2,0,0,0,0|2,0,0]=4 438 B5R1.2 NC1CCC1 3230-1-X4 [1,0,0,1,0,0|1,0,1]=4 439 B5R1.2 O=C1CCC1 2217-1-X6 [1,0,0,1,0,0|1,0,0]=3 440 B5R1.2 O=C1CCN1 4H48-1-F4 [1,0,0,1,0,0|0,0,0]=2 441 B5R1.2 O=C1CNC1 4H56-5-05 [1,0,0,1,0,0|2,0,0]=4 442 B5R1.2 O=C1COC1 2H17-1-05 [1,0,0,1,0,0|2,0,0]=4 443 B5R1.2 O=C1CSC1 6H66-1-39 [1,0,0,1,0,0|2,0,0]=4 444 B5R1.5 CC1(N)CC1 3230-5-01 [1,0,0,1,0,0|1,0,1]=4 445 B5R1.1 C1=CCCC1 1400-1-05 [1,0,0,1,0,0|1,0,0]=3 446 B5R1.1 C1=CCNC1 3431-1-X0 [1,0,0,1,0,0|2,0,0]=4 447 B5R1.1 C1=CCOC1 2H10-1-00 [1,0,0,1,0,0|2,0,0]=4 448 B5R1.1 C1=COCC1 2H10-1-X7 [1,0,0,1,0,0|0,0,2]=4 449 B5R1.1 C1CCCC1 1200-1-05 [1,0,0,1,0,0|1,0,1]=4 450 B5R1.1 C1CCNC1 3H31-1-Z9 [1,0,0,1,0,0|0,0,1]=3 451 B5R1.1 C1CCOC1 6H60-1-13 [1,0,0,1,0,0|0,0,2]=4 452 B7R1.1 CNC1CCCC1 3231-1-03 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.1 ClCC1=NCCN1 3H32-5-P4 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.1 N#CC1CCCN1 4H37-3-17 [0,1,0,1,0,0|1,0,1]=4 455 B7R1.1 N#C[C@@H]1CCCN1 3H37-5-0J [0,1,0,1,0,0|1,0,1]=4 456 B7R1.1 NNC1=NCCN1 3H39-9-X1 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.1 NNC1CCCC1 P911-A-67 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.1 OCC1CCCN1 4H01-1-95 [0,1,0,1,0,0|0,0,2]=4 459 B7R1.1 OC[C@@H]1CCCN1 4H01-1-M2 [0,1,0,1,0,0|0,0,2]=4 460 B7R1.1 [C@H]1(CO)CCCN1 4H56-1-L1 [0,1,0,1,0,0|0,0,2]=4 461 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,1,0,1,0,0|1,0,0]=3 462 B7R1.2 CC1=CC(=O)NO1 4H56-1-4S [0,1,0,1,0,0|0,0,2]=4 463 B7R1.2 CC1=NNC(=O)C1 4H17-1-1W [0,1,0,1,0,0|0,0,1]=3 464 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,1,0,1,0,0|1,0,1]=4 465 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,1,0,1,0,0|0,0,1]=3 466 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,1,0,1,0,0|0,0,0]=2 469 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,1,0,1,0,0|2,0,0]=4 471 B7R1.3 CC1=CCCCC1 1400-1-04 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.3 CC1=CCCNC1 3H31-5-0N [0,1,0,1,0,0|1,0,1]=4 473 B7R1.3 CC1CCCCN1 3H31-1-00 [0,1,0,1,0,0|1,0,1]=4 474 B7R1.3 CC1COCCN1 4H56-1-98 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.3 C[C@@H]1COCCN1 4H56-1-9Y [0,1,0,1,0,0|1,0,1]=4 476 B7R1.3 C[C@@H]1COCCN1 4H56-5-CX [0,1,0,1,0,0|1,0,1]=4 477 B7R1.3 C[C@H]1CCCCN1 3H31-1-S5 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.3 C[C@H]1CNCCN1 3H31-1-P8 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.3 NC1CCCNC1 3H30-5-61 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.3 NC1CCOCC1 G311-A-59 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.3 NC1CCOCC1 P911-A-50 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.3 NC1CCSCC1 7H66-1-Y1 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.3 NN1CCOCC1 4H56-1-VA [0,1,0,1,0,0|2,0,0]=4 484 B7R1.3 O=C1C=CCCC1 2417-1-X1 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.3 O=C1C=CCCO1 2H25-1-78 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.3 O=C1CCCCN1 4H48-1-1L [0,1,0,1,0,0|0,0,0]=2 487 B7R1.3 O=C1CCCCO1 2H25-1-X4 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 O=C1CCCNC1 4H56-5-M8 [0,1,0,1,0,0|0,0,0]=2 489 B7R1.3 O=C1CCCOC1 2H17-1-09 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.3 O=C1CCCSC1 6H66-1-40 [0,1,0,1,0,0|1,0,0]=3 491 B7R1.3 O=C1CCNCC1 4H17-1-3B [0,1,0,1,0,0|1,0,0]=3 492 B7R1.3 O=C1CCNCC1 4H56-5-3R [0,1,0,1,0,0|1,0,0]=3 493 B7R1.3 O=C1CCOCC1 P911-A-16 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.3 O=C1CNCCN1 4H48-1-W4 [0,1,0,1,0,0|0,0,0]=2 496 B7R1.3 O=C1COCCN1 4H58-1-05 [0,1,0,1,0,0|0,0,0]=2 497 B7R1.3 O=C1OCCCO1 2H28-1-13 [0,1,0,1,0,0|1,0,0]=3 498 B7R1.3 OC1CCCNC1 4H56-5-90 [0,1,0,1,0,0|0,0,2]=4 499 B7R1.3 O[C@@H]1CCCNC1 4H56-5-R4 [0,1,0,1,0,0|0,0,2]=4 500 B7R1.3 O[C@H]1CCCNC1 4H56-1-SD [0,1,0,1,0,0|0,0,2]=4 501 B7R1.3 [C@@H]1(C)CNCCN1 3H31-1-R1 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.3 [C@@H]1(N)CCCNC1 3H30-5-R1 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.3 [C@H]1(N)CCCNC1 3H30-5-V8 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.3 [C@H]1(O)CCCNC1 4H56-5-L3 [0,1,0,1,0,0|0,0,2]=4 505 B7R1.4 BrC1=C(Br)CCC1 1400-9-X1T [0,1,0,1,0,0|2,0,0]=4 506 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.4 NN1CCCC1=O 4H48-5-BN [0,1,0,1,0,0|0,0,0]=2 508 B7R1.4 O=C1CCCC1Cl 2217-5-04 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.4 O=C1NCCC1O 4H20-1-X1 [0,1,0,1,0,0|0,0,0]=2 510 B7R1.4 O=C1OCCC1Br 2125-9-01 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.22 NNC(=O)C1CC1 4256-1-25 [0,1,0,1,0,0|0,0,0]=2 512 B7R1.25 CC1(CN)CCC1 3230-5-02 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.12 O=C(O)C1CC1F 2221-3-0B [0,1,0,1,0,0|1,0,0]=3 514 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [0,1,0,1,0,0|1,0,0]=3 516 B7R1.18 N=C(N)C1CCC1 3241-5-X0 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.18 O=C(O)C1CNC1 P911-A-52 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.19 CC1(C(=O)O)CC1 2221-1-X3 [0,1,0,1,0,0|1,0,0]=3 521 B7R1.19 NC1(C(=O)O)CC1 4257-1-X0 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.19 O=C(O)C1(F)CC1 2221-3-18 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.19 O=C(O)C1(O)CC1 2229-1-X2 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.14 O=S1(=O)CCCC1 6H70-1-05 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.14 O=S1(=O)CCCC1 6H70-1-05B [0,1,0,1,0,0|2,0,0]=4 526 B7R1.26 NS(=O)(=O)C1CC1 G311-A-60 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.26 O=S(=O)(Cl)C1CC1 P612-A-74 [0,1,0,1,0,0|2,0,0]=4 528 B7R2.5 NC12CC(C1)C2 3230-5-19 [0,0,0,2,0,0|1,0,1]=4