0 B5R0.1 C=CCC(C)O 2302-1-00 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C=COC(C)=O 2324-1-50 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC#CC(=O)O 2521-1-13 [0,0,0,0,0,0|1,0,2]=3 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 CC(C)CCI 1100-H-X4 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(C)CCN 3130-1-X4 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(C)CCO 2101-1-53 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(C)CNN 3139-5-X0 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(N)CCO 4156-1-4D [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CCCB(O)O 6160-1-X5 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CCCC(=O)Cl 2116-5-09 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CCCC(=O)[O-] 2122-1-X1 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.1 CCCC(C)C 1100-1-04 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CCCC(C)O 2102-1-52 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CCNC(N)=O 4153-1-X1 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CCOC(=S)[S-] 6167-1-02 [0,0,0,0,0,0|2,2,0]=4 17 B5R0.1 CN(C)CCN 3132-1-X2 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 COCC(=O)Cl 2116-5-X4 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CSCC(=O)O 6166-1-05 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 C[C@@H](N)CCO 4156-1-RB [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 C[C@@H](O)CCO 2101-1-X0 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.1 ClCC=C(Cl)Cl 1300-5-07 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.1 N#CCC(N)=S 7167-1-W0 [0,0,0,0,0,0|1,1,2]=4 24 B5R0.1 NC(=O)CCBr 4148-9-00 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 NC(=O)CCCl 4148-5-02 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 O=C(O)CCO 2129-1-Y8 [0,0,0,0,0,0|1,0,0]=1 27 B4R0.1 C#CC(=O)O 2521-1-01 [1,0,0,0,0,0|0,0,2]=3 28 B4R0.1 C#CC(N)=O 4148-1-01 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C=C(Br)CC 1300-9-24 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 C=C(C)CBr 1300-9-00 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C=C(C)CC 1300-1-21 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.1 C=C(C)CN 3330-1-X1 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 C=C(C)CN 3330-5-X0 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 C=C(C)OC 2307-1-01 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 C=C(Cl)CCl 1300-5-15 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 C=C(Cl)CF 1300-7-23 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 C=C(Cl)CO 2301-5-02 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C=C(Cl)CO 2301-5-02T [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 C=C(F)CBr 1300-B-49 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 C=C(F)CCl 1300-7-14 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 C=C(F)CN 3330-3-32 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 C=C(F)CO 2301-3-03 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CC(=O)C=O 2117-1-X0 [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 CC(=O)C=O 2117-1-X0A [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 CC(=O)CF 2117-3-10 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(=O)CO 2120-1-01 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(=O)NN 4156-1-2V [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 CC(O)CF 2102-3-12 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CC(O)CO 2104-1-12 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 CC=C(Cl)Cl 1300-5-42 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CCB(O)O 6160-1-X1 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 CCC(=N)N 3141-5-03 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CCC(C)Cl 1100-5-25 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 CCC(C)F 1100-3-47 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 CCC(C)I 1100-H-X6 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CC[C@@H](C)O 2101-1-R1 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 CNC(N)=S 7167-1-20 [1,0,0,0,0,0|2,1,0]=4 58 B4R0.1 COC(=N)N 8153-1-01 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 CSC(=N)N 7167-H-X1 [1,0,0,0,0,0|3,0,0]=4 60 B4R0.1 CSC(=N)N 8167-1-01 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.1 C[C@@H](O)CN 4156-1-R2 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C[C@@H](O)CO 2104-1-R3 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 C[C@H](O)CN 4156-1-S2 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 C[C@H](O)CO 2104-1-S3 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 N=C(N)CCl 3141-5-X3 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.1 NC(=O)CBr 4148-9-X4 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.1 NC(=O)CCl 4148-5-00 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.1 NCC(F)F 3130-3-03 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 NCC(F)F 3130-7-03 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 O=C(Br)CBr 2116-9-03 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 O=C(Cl)SCl 6171-5-00 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.1 O=C(O)CBr 2121-9-01 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.1 O=C(O)CI 2121-H-00 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 O=C(O)CO 2129-1-20 [1,0,0,0,0,0|1,0,0]=2 75 B4R0.1 O=CC(=O)O 2129-1-X4 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 O=S([O-])CO 6165-1-06 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.1 O=[N+]([O-])CBr 4154-9-X0 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 [C@@H](C)(N)CC 3130-1-S1 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 [C@H](C)(N)CC 3130-1-R1 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 BrCCCBr 1100-9-13 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 C#CCCC 1500-1-X1 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 C#CCCO P311-A-35 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 C=CCCBr 1300-9-04 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 C=CCCC 1300-1-09 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.2 CCCC#N 3137-1-Y3 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 CCCCBr 1100-9-15 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 CCCCF 1100-3-32 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 CNCCCl 3133-5-05 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.2 CNCCN 3131-1-11 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.2 CNCCO 4156-1-3Y [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 COCCBr 2107-9-X1 [1,0,0,0,0,0|3,0,0]=4 92 B4R0.2 COCCCl 2107-5-0R [1,0,0,0,0,0|3,0,0]=4 93 B4R0.2 COCCN 4130-1-X3 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 CSCCN 7166-1-X1 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.2 C\C=C\CC 1300-1-05 [1,0,0,0,0,0|2,0,1]=4 96 B4R0.2 ClCCCCl 1100-5-19 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.2 ClCCCI 1100-M-01 [1,0,0,0,0,0|2,0,1]=4 98 B4R0.2 Cl\C=C\CCl 1300-5-28 [1,0,0,0,0,0|2,0,1]=4 99 B4R0.2 FCCCF 1100-3-16 [1,0,0,0,0,0|2,0,1]=4 100 B4R0.2 FCCCI 1100-K-35 [1,0,0,0,0,0|2,0,1]=4 101 B4R0.2 ICCCI 1100-H-X0 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.2 N#CCCO 4137-1-Y3 [1,0,0,0,0,0|0,0,3]=4 103 B4R0.2 NCCCBr 3130-9-X0 [1,0,0,0,0,0|1,0,1]=3 104 B4R0.2 NCCCCl 3130-5-03 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.2 NCCCF 3130-7-13 [1,0,0,0,0,0|1,0,1]=3 106 B4R0.2 NNCCO 4139-1-01 [1,0,0,0,0,0|1,0,1]=3 107 B4R0.2 OCCCBr 2101-9-X2 [1,0,0,0,0,0|1,0,1]=3 108 B4R0.2 OCCCCl 2101-5-13 [1,0,0,0,0,0|1,0,1]=3 109 B4R0.2 OCCCF 2101-3-50 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.2 OCCCI 2101-H-01 [1,0,0,0,0,0|1,0,1]=3 111 B4R0.2 OCCCO 2104-1-11 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.1 CCCC(=N)NO 4141-1-X1 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 CCCC(=O)NN 4156-1-15 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.1 CCCC(O)CO 2104-1-0A [0,1,0,0,0,0|1,0,2]=4 115 B6R0.1 CCOC(=O)C=O 2323-1-X0 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.1 CCOC(=O)CCl 2123-5-01 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.1 CCOC(=O)CN 4158-5-25 [0,1,0,0,0,0|3,0,0]=4 118 B6R0.1 CCOC(=O)CS 6161-1-03 [0,1,0,0,0,0|2,1,0]=4 119 B6R0.1 CCOC(=O)NN 4156-1-55 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.1 CNC(=O)CC#N 4148-1-X3 [0,1,0,0,0,0|1,0,2]=4 121 B6R0.1 CNC(=O)CCN 4148-1-13 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.1 CNCC(=O)OC 4158-5-X0 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.1 COC(=O)CC#N 4137-1-X2 [0,1,0,0,0,0|0,0,2]=3 124 B6R0.1 COC(=O)CCN 4158-1-02 [0,1,0,0,0,0|0,0,0]=1 125 B6R0.1 COC(=O)CSC 6166-1-06 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.1 OCC[C@H](O)CO 2104-1-S1 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.1 [C-]#[N+]CC(=O)OC 4149-1-06 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.2 CC(=O)CC(C)=O 2118-1-01 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.2 CC(=O)CC(C)C 2118-1-02 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.2 CC(=O)NC(=N)N 3153-1-X0 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.2 CC(=O)\C=C(\C)N 4356-1-06 [0,1,0,0,0,0|1,0,2]=4 132 B6R0.2 CC(C)=CC(=O)O 2321-1-X4 [0,1,0,0,0,0|1,0,2]=4 133 B6R0.2 CC(C)CB(O)O 6160-1-X3 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.2 CC(C)CC(N)=O 4148-1-Y7 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.2 CC(Cl)OC(=O)Cl 2116-5-X1 [0,1,0,0,0,0|3,0,0]=4 136 B6R0.2 CC(O)CC(=O)[O-] 2129-1-35 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.2 CC(O)CC(C)O 2104-1-X3 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.2 CN(C)CC(=O)O 4158-1-40 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.2 C[C@@H](O)C[C@@H](C)O 2104-1-28 [0,1,0,0,0,0|2,0,1]=4 140 B6R0.2 O=C(O)CC(=O)O 2121-1-05 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.3 CC(=O)C(=O)CBr 2118-9-01 [0,1,0,0,0,0|2,0,1]=4 142 B6R0.3 CC(C#N)C(=O)O 4137-1-0Z [0,1,0,0,0,0|0,0,2]=3 143 B6R0.3 CCC(N)C(=O)O 4157-1-16 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.3 CCN(C)C(=O)Cl 4148-5-18 [0,1,0,0,0,0|3,0,0]=4 145 B6R0.3 CC[C@H](O)C(=O)O 2129-1-SF [0,1,0,0,0,0|1,0,0]=2 146 B6R0.3 CNC(=O)C(=O)O 4156-1-Y4 [0,1,0,0,0,0|2,0,1]=4 147 B6R0.3 CN[C@@H](C)C(=O)O 4157-1-07 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 C\C=C(/C)C(=O)O 2321-1-17 [0,1,0,0,0,0|1,0,2]=4 149 B6R0.3 C\C=C(/C)C(=O)O 2321-1-E0 [0,1,0,0,0,0|1,0,2]=4 150 B6R0.3 N#CC(N)C(N)=O 4148-1-X1 [0,1,0,0,0,0|1,0,2]=4 151 B6R0.3 NCC(F)C(=O)O 4157-3-02 [0,1,0,0,0,0|0,0,0]=1 152 B6R0.3 N[C@@H](CS)C(=O)O 8158-1-01 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.3 O=C(O)C(=O)CBr 2129-9-X3 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.3 [C@@H](N)(CC)C(=O)O 4157-1-X5 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.3 [C@H](N)(CC)C(=O)O 4157-1-X4 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.4 C#CCCC(=O)O 2521-1-02 [0,1,0,0,0,0|1,0,0]=2 157 B6R0.4 C#CCNC(N)=O 4553-1-01 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.4 C=CCCC(=O)Cl 2316-5-06 [0,1,0,0,0,0|2,0,0]=3 159 B6R0.4 C=CCC[C@@H](C)O 2302-1-R1 [0,1,0,0,0,0|2,0,1]=4 160 B6R0.4 C=CCOC(C)=O 2324-1-08 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.4 CC(=O)CCCCl 2117-5-52 [0,1,0,0,0,0|2,0,0]=3 162 B6R0.4 CC(=O)NCCCl 4148-5-15 [0,1,0,0,0,0|2,0,0]=3 163 B6R0.4 CCC#CC(=O)O 2521-1-12 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.4 CCCCB(O)O 6160-1-06 [0,1,0,0,0,0|2,0,1]=4 165 B6R0.4 CCCCC(=O)O 2121-1-0C [0,1,0,0,0,0|1,0,0]=2 166 B6R0.4 CCCNC(N)=S 7167-1-23 [0,1,0,0,0,0|2,1,0]=4 167 B6R0.4 CCCOC(C)=O 2123-1-32 [0,1,0,0,0,0|2,0,0]=3 168 B6R0.4 CCCO[N+](=O)[O-] 4154-1-11 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.4 CCOCC(=O)Cl 2116-5-0F [0,1,0,0,0,0|2,0,0]=3 170 B6R0.4 CNCCC(N)=O 4148-1-30 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.4 FC(F)=CCCBr 1300-B-25 [0,1,0,0,0,0|3,0,0]=4 172 B6R0.4 NC(=O)NCCO 4153-1-02 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.4 NCCCC(=O)O 4157-1-X2 [0,1,0,0,0,0|0,0,0]=1 174 B6R0.4 NCCNC(N)=O 4153-5-07 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.4 O=C(Cl)CCCCl 2116-5-X5 [0,1,0,0,0,0|2,0,0]=3 176 B6R0.5 CCCS(=O)(=O)Cl 6162-5-05 [0,1,0,0,0,0|2,0,1]=4 177 B6R0.5 CCCS(N)(=O)=O P612-A-86 [0,1,0,0,0,0|2,0,1]=4 178 B6R0.5 CCOP(C)(=O)O 6177-1-37 [0,1,0,0,0,0|3,0,0]=4 179 B6R0.5 CS(=O)(=O)CCN 8163-5-X0 [0,1,0,0,0,0|1,0,1]=3 180 B6R0.5 NCCC(F)(F)F 3130-3-15 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.5 NCCC(F)(F)F 3130-7-02 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.5 NCCP(=O)(O)O 8177-1-35 [0,1,0,0,0,0|1,0,0]=2 183 B6R0.5 O=S(=O)(O)CCO 6164-1-0E [0,1,0,0,0,0|2,0,0]=3 184 B6R1.2 CC1CCCO1 2H10-1-01 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.2 CC1CCNC1 3H31-5-95 [0,0,0,1,0,0|2,0,1]=4 186 B6R1.2 C[C@H]1CCNC1 3H31-5-S5 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.2 FC1CCNC1 3H31-3-64 [0,0,0,1,0,0|2,0,1]=4 188 B6R1.2 F[C@@H]1CCNC1 3H31-3-R2 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 F[C@@H]1CCNC1 3H31-7-05 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 F[C@H]1CCNC1 3H31-3-S2 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.2 F[C@H]1CCNC1 3H31-7-X5 [0,0,0,1,0,0|2,0,1]=4 192 B6R1.2 O=C1C=CCC1 2417-1-X0 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.2 O=C1CCCC1 2217-1-01 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.2 O=C1CCNC1 4H17-5-04 [0,0,0,1,0,0|1,0,0]=2 195 B6R1.2 O=C1CCOC1 2H17-1-Y1 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.2 O=C1CCSC1 6H66-1-Y6 [0,0,0,1,0,0|2,0,0]=3 197 B6R1.2 O=C1N=CNN1 4H48-1-KB [0,0,0,1,0,0|2,0,1]=4 198 B6R1.2 O=C1NCCS1 8H70-1-8S [0,0,0,1,0,0|2,1,0]=4 199 B6R1.2 OC1CCNC1 4H01-5-23 [0,0,0,1,0,0|1,0,1]=3 200 B6R1.2 OC1CCNC1 4H56-1-831 [0,0,0,1,0,0|1,0,1]=3 201 B6R1.2 OC1CCOC1 2H10-1-87 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.2 O[C@@H]1CCNC1 4H01-1-M0 [0,0,0,1,0,0|1,0,1]=3 203 B6R1.2 O[C@@H]1CCNC1 4H56-1-R3 [0,0,0,1,0,0|1,0,1]=3 204 B6R1.2 O[C@@H]1CCOC1 2H01-1-Y2 [0,0,0,1,0,0|2,0,1]=4 205 B6R1.2 O[C@H]1CCNC1 4H01-1-M4 [0,0,0,1,0,0|1,0,1]=3 206 B6R1.2 O[C@H]1CCNC1 4H56-5-J2 [0,0,0,1,0,0|1,0,1]=3 207 B6R1.2 O[C@H]1CCOC1 G311-A-08 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.2 S=C1CCCN1 7H67-1-31 [0,0,0,1,0,0|2,1,0]=4 209 B6R1.3 NCCC1CC1 3230-5-07 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.5 NC1CC(O)C1 4256-1-30 [0,0,0,1,0,0|1,0,1]=3 211 B6R1.11 CC(=O)C1CC1 2217-1-X9 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.11 CC(O)C1CC1 2202-1-14 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.11 N=C(N)C1CC1 3241-5-X2 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.11 O=C(Cl)C1CC1 2216-5-X1 [0,0,0,1,0,0|2,0,0]=3 215 B6R1.11 O=C(O)C1CC1 2221-1-X1 [0,0,0,1,0,0|1,0,0]=2 216 B6R1.11 OB(O)C1CC1 P911-A-22 [0,0,0,1,0,0|2,0,1]=4 217 B3R0.1 BrCCI 1100-S-04 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.1 C#CCC 1500-1-05 [2,0,0,0,0,0|1,0,1]=4 219 B3R0.1 C=CCBr 1300-9-02 [2,0,0,0,0,0|1,0,1]=4 220 B3R0.1 C=CCC 1300-1-25 [2,0,0,0,0,0|1,0,0]=3 221 B3R0.1 C=CCCl 1300-5-10 [2,0,0,0,0,0|1,0,1]=4 222 B3R0.1 C=CCF 1300-3-09 [2,0,0,0,0,0|1,0,1]=4 223 B3R0.1 C=CCI 1300-H-01 [2,0,0,0,0,0|1,0,1]=4 224 B3R0.1 CCC=O 2115-1-05 [2,0,0,0,0,0|0,0,0]=2 225 B3R0.1 CCCBr 1100-9-37 [2,0,0,0,0,0|1,0,1]=4 226 B3R0.1 CCCC 1100-1-X0 [2,0,0,0,0,0|1,0,1]=4 227 B3R0.1 CCCCl 1100-5-01 [2,0,0,0,0,0|1,0,1]=4 228 B3R0.1 CCCI 1100-H-X9 [2,0,0,0,0,0|1,0,1]=4 229 B3R0.1 CCNN 3139-5-05 [2,0,0,0,0,0|1,0,1]=4 230 B3R0.1 C\C=C/C 1300-1-29 [2,0,0,0,0,0|1,0,1]=4 231 B3R0.1 C\C=C\C 1300-1-04 [2,0,0,0,0,0|1,0,1]=4 232 B3R0.1 C\C=C\Cl 1300-5-17 [2,0,0,0,0,0|1,0,1]=4 233 B3R0.1 C\C=C\Cl 1300-5-E1 [2,0,0,0,0,0|1,0,1]=4 234 B3R0.1 ClCCCl 1100-5-15 [2,0,0,0,0,0|2,0,0]=4 235 B3R0.1 ClCCI 1100-M-00 [2,0,0,0,0,0|2,0,0]=4 236 B3R0.1 FCCCl 1100-7-05 [2,0,0,0,0,0|2,0,0]=4 237 B3R0.1 FCCI 1100-K-18 [2,0,0,0,0,0|2,0,0]=4 238 B3R0.1 NCCBr 3130-9-X1 [2,0,0,0,0,0|1,0,0]=3 239 B3R0.1 NCCCl 3130-5-01 [2,0,0,0,0,0|1,0,0]=3 240 B3R0.1 NCCF 3130-7-04 [2,0,0,0,0,0|1,0,0]=3 241 B3R0.1 NCCS 7161-5-01 [2,0,0,0,0,0|0,1,0]=3 242 B3R0.1 OCCBr 2101-9-02 [2,0,0,0,0,0|1,0,0]=3 243 B3R0.2 C=C(C)C 1300-1-06 [2,0,0,0,0,0|2,0,0]=4 244 B3R0.2 C=C(C)Cl 1300-5-21 [2,0,0,0,0,0|2,0,0]=4 245 B3R0.2 CB(O)O 6160-1-X6 [2,0,0,0,0,0|1,0,1]=4 246 B3R0.2 CC(=O)Cl 2116-5-01 [2,0,0,0,0,0|1,0,0]=3 247 B3R0.2 CC(=O)O 4141-1-X0 [2,0,0,0,0,0|0,0,0]=2 248 B3R0.2 CC(=O)[O-] 2122-1-02 [2,0,0,0,0,0|0,0,1]=3 249 B3R0.2 CC(=O)[O-] 2122-1-19 [2,0,0,0,0,0|0,0,1]=3 250 B3R0.2 CC(=O)[O-] 2122-1-29 [2,0,0,0,0,0|0,0,1]=3 251 B3R0.2 CC(=O)[O-] 2122-1-46 [2,0,0,0,0,0|0,0,1]=3 252 B3R0.2 CC(=O)[O-] 2122-1-46H [2,0,0,0,0,0|0,0,1]=3 253 B3R0.2 CC(=O)[O-] M029-1-01 [2,0,0,0,0,0|0,0,1]=3 254 B3R0.2 CC(=O)[O-] M056-1-X0 [2,0,0,0,0,0|0,0,1]=3 255 B3R0.2 CC(=O)[S-] 6161-1-05 [2,0,0,0,0,0|0,1,0]=3 256 B3R0.2 CC(N)=S 7167-1-X0 [2,0,0,0,0,0|1,1,0]=4 257 B3R0.2 CS(=O)[O-] 6165-1-X0 [2,0,0,0,0,0|1,0,1]=4 258 B3R0.2 N=C(N)Cl 3141-5-X4 [2,0,0,0,0,0|2,0,0]=4 259 B3R0.2 N=C(N)N 3141-5-X1 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.2 NC(N)=O 4153-1-01 [2,0,0,0,0,0|1,0,0]=3 261 B3R0.2 O=C([O-])[O-] M019-0-02 [2,0,0,0,0,0|1,0,1]=4 262 B3R0.2 O=C([O-])[O-] M021-1-04 [2,0,0,0,0,0|1,0,1]=4 263 B3R0.2 O=S([O-])O M011-1-06 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.2 O=S([O-])O M011-1-06HP [2,0,0,0,0,0|2,0,0]=4 265 B5R0.3 C#CC(=O)OC 2523-1-X1 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.3 C#CC(O)CC 2502-1-02 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.3 C=C(CO)CO 2304-1-X0 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.3 CCC(=O)CBr 2117-9-01 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.3 CCC(C)C=O 2115-1-0C [1,1,0,0,0,0|1,0,1]=4 270 B5R0.3 CCC(N)CO 4156-1-38 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.3 CCC(O)CN 4156-1-Z4 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.3 CC[C@@H](N)CO 4156-1-R4 [1,1,0,0,0,0|1,0,1]=4 273 B5R0.3 CC[C@H](N)CO 4156-1-W2 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.3 COC(=O)CBr 2123-9-36 [1,1,0,0,0,0|1,0,0]=3 275 B5R0.3 COC(=O)CN 4158-5-40 [1,1,0,0,0,0|0,0,0]=2 276 B5R0.3 COC(=O)CO 2129-1-X2 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.3 COC(=O)CS 6161-1-X3 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.3 COC(=O)NN 4156-1-39 [1,1,0,0,0,0|1,0,0]=3 279 B5R0.3 COS(=O)OC 6164-1-13 [1,1,0,0,0,0|2,0,0]=4 280 B5R0.3 CO[PH](=O)OC 6177-1-0G [1,1,0,0,0,0|2,0,0]=4 281 B5R0.3 C\C(C=O)=C/N 4356-1-X1 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.3 NCC(O)CN 4156-1-Y7 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.3 NCC(O)CO 4156-1-Z8 [1,1,0,0,0,0|0,0,2]=4 284 B5R0.3 O=C(CBr)CBr 2117-9-03 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.3 O=C(CF)CF 2117-3-09 [1,1,0,0,0,0|2,0,0]=4 286 B5R0.4 CC(C)(O)CN 4156-1-05 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.4 CCS(C)(=O)=O 6163-1-0B [1,1,0,0,0,0|1,0,1]=4 288 B5R0.4 CCS(N)(=O)=O 8169-1-03 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.4 NOS(=O)(=O)O P612-A-67 [1,1,0,0,0,0|2,0,0]=4 290 B5R0.5 C=C(C)C(C)C 1300-1-24 [1,1,0,0,0,0|2,0,0]=4 291 B5R0.5 C=C(F)C(=O)O 2321-3-06 [1,1,0,0,0,0|0,0,2]=4 292 B5R0.5 CC(=O)C(=O)O 2129-1-03 [1,1,0,0,0,0|0,0,1]=3 293 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|1,0,0]=3 299 B5R0.5 CC(C)B(O)O 6160-1-X0 [1,1,0,0,0,0|1,0,1]=4 300 B5R0.5 CC(C)C(=N)N 3141-5-X0 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.5 CC(C)C(=O)Cl 2116-5-05 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.5 CC(F)C(=O)O 2121-3-95 [1,1,0,0,0,0|0,0,0]=2 303 B5R0.5 CC(N)C(N)=O 4158-5-X5 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.5 CC(O)C(C)O 2104-1-07 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.5 C[C@@H](Cl)C(=O)O 2121-5-R1 [1,1,0,0,0,0|0,0,0]=2 306 B5R0.5 C[C@@H](O)C(N)=O 4148-1-R1 [1,1,0,0,0,0|1,0,0]=3 307 B5R0.5 C[C@@H](O)[C@@H](C)O 2104-1-R1 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.5 C[C@H](N)C(=O)O 4157-1-S5 [1,1,0,0,0,0|0,0,0]=2 309 B5R0.5 C[C@H](N)C(N)=O 4148-5-04 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.5 C[C@H](O)C(=O)O 2129-1-S8 [1,1,0,0,0,0|0,0,0]=2 311 B5R0.5 C[C@H](O)[C@H](C)O 2104-1-X2 [1,1,0,0,0,0|1,0,1]=4 312 B5R0.5 NC(=O)C(Cl)Cl 4148-5-X4 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.5 NC(=O)C(F)Br 4148-B-02 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.5 NC(=O)C(F)Cl 4148-7-03 [1,1,0,0,0,0|2,0,0]=4 315 B5R0.5 NC(=O)C(F)F 4148-3-18 [1,1,0,0,0,0|2,0,0]=4 316 B5R0.5 NC(=O)C(F)I 4148-K-01 [1,1,0,0,0,0|2,0,0]=4 317 B5R0.5 NC(=O)C(N)=O 4148-1-18 [1,1,0,0,0,0|1,0,1]=4 318 B5R0.5 O=C(Cl)C(Cl)Cl 2116-5-00 [1,1,0,0,0,0|2,0,0]=4 319 B5R0.5 O=C(O)C(=O)O 2121-1-12 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.5 O=C(O)C(F)Br 2121-B-03 [1,1,0,0,0,0|1,0,0]=3 321 B5R0.5 O=C(O)C(F)Cl 2121-7-03 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.5 O=C(O)C(F)F 2121-3-05 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.5 O=C(O)C(F)I 2121-K-01 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.5 O=C([O-])C(F)Br 2122-B-01 [1,1,0,0,0,0|1,0,1]=4 325 B5R0.5 O=C([O-])C(F)Cl 2122-7-01 [1,1,0,0,0,0|1,0,1]=4 326 B5R0.5 O=C([O-])C(F)F 2122-3-02 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.5 O=C([O-])C(F)F 2122-3-07 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.5 [C@@H](C)(Cl)C(=O)O 2121-5-S1 [1,1,0,0,0,0|0,0,0]=2 329 B5R0.2 C#CCCCO 2501-1-01 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.2 C=CCCCBr 1300-9-13 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.2 C=CCCCC 1300-1-48 [1,1,0,0,0,0|2,0,0]=4 332 B5R0.2 CCCCC=O 2115-1-00 [1,1,0,0,0,0|1,0,0]=3 333 B5R0.2 CCCCCN 3130-1-X6 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.2 CCNCCN 3130-1-X2 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.2 CNCCNC 3131-1-17 [1,1,0,0,0,0|2,0,0]=4 336 B5R0.2 COCCCBr 2107-9-02 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.2 CSCCCN 8166-1-X3 [1,1,0,0,0,0|0,1,1]=4 338 B5R0.2 O=C=NCCCl 4149-5-X0 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.2 OCCCCF 2101-3-1V [1,1,0,0,0,0|1,0,1]=4 340 B7R0.2 CNC(=O)CC(C)=O 4148-1-51 [0,2,0,0,0,0|1,0,1]=4 341 B7R0.2 COC(=O)CC(=O)Cl 2116-5-X2 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.2 COC(=O)CC(=O)[O-] 2123-1-X2 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.2 COC(=O)CC(C)=O 2129-1-72 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.2 COC(=O)C[C@@H](C)O 2129-1-36 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.2 COC(=O)C[N+](=O)[O-] 4154-1-07 [0,2,0,0,0,0|2,0,0]=4 346 B7R0.3 C#CCOC(=O)OC 2528-1-01 [0,2,0,0,0,0|1,0,1]=4 347 B7R0.3 C=CC(=O)OCCO 2324-1-12 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.3 C=CCCC(=O)OC 2323-1-0J [0,2,0,0,0,0|1,0,0]=3 349 B7R0.3 C=CCOC(=O)OC 2328-1-02 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.3 CC\C=C\C(=O)OC 2323-1-17 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.3 CC\C=C\C(=O)OC 2323-1-E2 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.3 CNCCC(=O)NC 4148-1-31 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.3 COC(=O)CCCBr 2123-9-0H [0,2,0,0,0,0|1,0,0]=3 354 B7R0.3 COC(=O)CCCN 4158-5-18 [0,2,0,0,0,0|0,0,0]=2 355 B7R0.3 COC(=O)CN=C=S 8168-1-19 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.3 COC(=O)\C=C\CBr 2323-9-X0 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.5 C=CC[C@H](N)C(=O)O 4357-1-X0 [0,2,0,0,0,0|1,0,0]=3 358 B7R0.5 CCC[C@H](N)C(=O)O 4157-1-SN [0,2,0,0,0,0|1,0,0]=3 359 B7R0.5 CCOC(=O)[C@H](C)O 2129-1-Y5 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.5 COCC(Cl)C(=O)O 2121-5-X1 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.5 COC[C@H](N)C(=O)O 4157-5-S0 [0,2,0,0,0,0|1,0,0]=3 362 B7R0.5 N[C@@H](CCO)C(=O)O 4157-1-SQ [0,2,0,0,0,0|1,0,0]=3 363 B7R0.5 O=C(Cl)C(Br)CCBr 2116-D-00 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.7 C=COC(=O)CCC 2324-1-10 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.7 CCCC(=O)CCC 2117-1-15 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.7 CCOC(=O)CC#N 4137-1-01 [0,2,0,0,0,0|0,0,2]=4 367 B7R0.7 CCOC(=O)CCN 4158-5-01 [0,2,0,0,0,0|0,0,0]=2 368 B7R0.7 CCOC(=O)OCC 2123-1-11 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.7 O=C(CCCl)CCCl 2117-5-07 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.10 C=C(CBr)C(=O)OC 2324-9-00 [0,2,0,0,0,0|1,0,1]=4 371 B7R0.10 C=C(CO)C(=O)OC 2329-1-05 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.10 C=CC(O)C(=O)OC 2129-1-79 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.10 CCC(Br)C(=O)OC 2123-9-13 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.10 CC[C@@H](N)C(=O)OC 4158-5-R8 [0,2,0,0,0,0|1,0,0]=3 375 B7R0.10 COC(=O)C(=O)CBr 2129-9-X2 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.10 COC(=O)C(Br)CBr 2123-9-32 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.10 COC(=O)C(Cl)C=O 2123-5-16 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.10 COC(=O)[C@@H](N)CN 4158-5-S0 [0,2,0,0,0,0|0,0,0]=2 379 B7R0.9 CC(=O)CC(F)(F)F 2117-3-44 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.9 CC(C)(C)CC(=O)O 2121-1-X4 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.9 CC(C)(N)CC(=O)O P911-A-54 [0,2,0,0,0,0|0,0,0]=2 382 B7R0.9 CS(=O)(=O)CC(=O)O 6165-1-01 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.9 O=C(Cl)CC(F)(F)F 2116-7-33 [0,2,0,0,0,0|2,0,0]=4 384 B7R0.9 O=C(O)CC(F)(F)F 2121-3-11 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.16 CC(C)[C@H](O)C(=O)O 2129-1-S3 [0,2,0,0,0,0|1,0,0]=3 386 B7R0.16 CC(F)C(N)C(=O)O 4157-3-20 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O 4157-1-35 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.16 NC(=O)C(N)C(N)=O 4148-1-07 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.13 CC(C)(CF)C(=O)O 2121-3-0B [0,2,0,0,0,0|1,0,0]=3 390 B7R0.13 CC(C)(CN)C(N)=O 4148-1-38 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.13 CCC(C)(O)C(=O)O 2129-1-1P [0,2,0,0,0,0|1,0,0]=3 392 B7R0.13 CCC(F)(F)C(=O)O 2121-3-53 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.13 CCC(F)(F)C(=O)[O-] 2122-3-53 [0,2,0,0,0,0|1,0,1]=4 394 B7R0.4 C#CCCCC(=O)O 2521-1-X0 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.4 CCCCCC(=O)Cl 2116-5-11 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.4 CCC\C=C\C(=O)O 2321-1-08 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.4 CCO\C=C\C(=O)O 2321-1-X0 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.4 NCCCCC(=O)O 4157-1-37 [0,2,0,0,0,0|0,0,0]=2 399 B7R0.4 NCCNCC(=O)O 4158-1-1D [0,2,0,0,0,0|0,0,0]=2 400 B7R0.4 NCCOCC(=O)O 4157-1-05 [0,2,0,0,0,0|0,0,0]=2 401 B7R0.4 O=C(O)CCCCBr 2121-9-X2 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.6 CC(=O)CCC(C)=O 2118-1-25 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.6 CC(=O)OCC(F)F 2123-3-09 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.6 CC(C)CCC(=O)Cl 2116-5-0A [0,2,0,0,0,0|2,0,0]=4 405 B7R0.6 CC(C)COC(=O)Cl 2123-5-1N [0,2,0,0,0,0|2,0,0]=4 406 B7R0.6 CC(C)OCC(=O)O 2121-1-43 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.6 CC(C)\C=C\C(=O)O 2321-1-13 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.6 CN(C)CCC(=O)O 4158-5-13 [0,2,0,0,0,0|0,0,0]=2 409 B7R0.6 N=C(N)NCC(=O)O 4156-1-60 [0,2,0,0,0,0|0,0,1]=3 410 B7R0.6 O=C(Cl)OCC(F)F 2123-7-00 [0,2,0,0,0,0|2,0,0]=4 411 B7R0.8 CS(=O)(=O)SCCN 8163-9-X0 [0,2,0,0,0,0|1,0,1]=4 412 B5R1.2 O=C1CCC1 2217-1-X6 [1,0,0,1,0,0|1,0,0]=3 413 B5R1.2 O=C1CCN1 4H48-1-F4 [1,0,0,1,0,0|1,0,0]=3 414 B5R1.2 O=C1CNC1 4H56-5-05 [1,0,0,1,0,0|1,0,0]=3 415 B5R1.2 O=C1COC1 2H17-1-05 [1,0,0,1,0,0|2,0,0]=4 416 B5R1.2 O=C1CSC1 6H66-1-39 [1,0,0,1,0,0|2,0,0]=4 417 B5R1.2 OC1CNC1 4H01-5-63 [1,0,0,1,0,0|1,0,1]=4 418 B5R1.4 C[C@@H]1O[C@@H]1C 2109-1-Z0 [1,0,0,1,0,0|1,0,1]=4 419 B5R1.4 C[C@@H]1O[C@H]1C 2109-1-E0 [1,0,0,1,0,0|1,0,1]=4 420 B5R1.1 C1=CCCC1 1400-1-05 [1,0,0,1,0,0|2,0,0]=4 421 B5R1.1 C1=CCNC1 3431-1-X0 [1,0,0,1,0,0|1,0,1]=4 422 B5R1.1 C1=COCC1 2H10-1-X7 [1,0,0,1,0,0|1,0,1]=4 423 B5R1.1 C1CCNC1 3H31-1-Z9 [1,0,0,1,0,0|1,0,1]=4 424 B5R1.1 C1CCOC1 6H60-1-13 [1,0,0,1,0,0|1,0,1]=4 425 B7R1.1 OCC1CCNC1 4H56-5-0C [0,1,0,1,0,0|1,0,1]=4 426 B7R1.1 OC[C@@H]1CCNC1 4H56-1-R0 [0,1,0,1,0,0|1,0,1]=4 427 B7R1.2 CC1=CC(=O)CC1 2417-1-07 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.2 CN1CCC(O)C1 4H56-1-Z4 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.2 CN1CC[C@@H](O)C1 4H56-1-R1 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.2 CN1CC[C@H](O)C1 4H56-1-S4 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.2 NC1=NC(=O)CS1 8H70-1-M4 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.2 NC1=NC(=O)CS1 8H70-5-W0 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.2 O=C1CCC(=O)C1 P911-A-79 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.2 O=C1CCC(=O)N1 4H48-1-N0 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.2 O=C1CCC(=O)O1 2H26-1-X5 [0,1,0,1,0,0|1,0,0]=3 436 B7R1.2 O=C1COC(=O)C1 2H25-1-29 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.2 O=C1C[C@H](O)CN1 4H20-1-X7 [0,1,0,1,0,0|2,0,0]=4 438 B7R1.2 O=C1OCC(F)O1 2H28-3-04 [0,1,0,1,0,0|1,0,0]=3 439 B7R1.2 O=C1OCC(F)O1 2H28-3-04H [0,1,0,1,0,0|1,0,0]=3 440 B7R1.3 CC1=CCCNC1 3H31-5-0N [0,1,0,1,0,0|2,0,0]=4 441 B7R1.3 O=C1C=CCCC1 2417-1-X1 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.3 O=C1C=CCCO1 2H25-1-78 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.3 O=C1CCCCN1 4H48-1-1L [0,1,0,1,0,0|2,0,0]=4 444 B7R1.3 O=C1CCCCO1 2H25-1-X4 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.3 O=C1CCCNC1 4H56-5-M8 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.3 O=C1CCCOC1 2H17-1-09 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.3 O=C1CCCSC1 6H66-1-40 [0,1,0,1,0,0|1,1,0]=4 448 B7R1.3 O=C1CCNCC1 4H17-1-3B [0,1,0,1,0,0|1,0,0]=3 449 B7R1.3 O=C1CCNCC1 4H56-5-3R [0,1,0,1,0,0|1,0,0]=3 450 B7R1.3 O=C1CCOCC1 P911-A-16 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.3 O=C1CCSCC1 6H66-1-Y7 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.3 O=C1CNCCN1 4H48-1-W4 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.3 O=C1COCCN1 4H58-1-05 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.3 O=C1OCCCO1 2H28-1-13 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.3 OC1CCCNC1 4H56-5-90 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.3 OC1CCNCC1 4H56-1-UJ [0,1,0,1,0,0|1,0,1]=4 457 B7R1.3 O[C@@H]1CCCNC1 4H56-5-R4 [0,1,0,1,0,0|1,0,1]=4 458 B7R1.3 O[C@H]1CCCNC1 4H56-1-SD [0,1,0,1,0,0|1,0,1]=4 459 B7R1.3 [C@H]1(O)CCCNC1 4H56-5-L3 [0,1,0,1,0,0|1,0,1]=4 460 B7R1.4 NC1CCSC1=O 8H70-5-Z1 [0,1,0,1,0,0|1,1,0]=4 461 B7R1.4 NN1CCCC1=O 4H48-5-BN [0,1,0,1,0,0|2,0,0]=4 462 B7R1.4 O=C1CCCC1Cl 2217-5-04 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.4 O=C1NCCC1O 4H20-1-X1 [0,1,0,1,0,0|0,0,1]=3 464 B7R1.4 O=C1OCCC1Br 2125-9-01 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.22 NNC(=O)C1CC1 4256-1-25 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.12 O=C(O)C1CC1F 2221-3-0B [0,1,0,1,0,0|1,0,0]=3 467 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F 2221-3-25 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.20 O=C(O)CC1CC1 2221-1-X4 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.18 O=C(Cl)C1CCC1 2216-5-03 [0,1,0,1,0,0|2,0,0]=4 470 B7R1.18 O=C(O)C1CNC1 P911-A-52 [0,1,0,1,0,0|0,0,0]=2 471 B7R1.18 O=C(O)[C@H]1CCN1 4H57-1-03 [0,1,0,1,0,0|0,0,0]=2 472 B7R1.19 CC1(C(=O)O)CC1 2221-1-X3 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.19 NC1(C(=O)O)CC1 4257-1-X0 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.19 O=C(O)C1(F)CC1 2221-3-18 [0,1,0,1,0,0|1,0,0]=3 475 B7R1.19 O=C(O)C1(O)CC1 2229-1-X2 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.14 CC1(O)CCNC1 4H01-1-5R [0,1,0,1,0,0|1,0,1]=4 477 B7R1.14 CC1(O)CCNC1 4H56-5-0D [0,1,0,1,0,0|1,0,1]=4