0 B5R0.3 C=C(CCl)CCl OR11145 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C(CO)CO OR54371 [0,0,0,0,0,0|1,0,1]=2 2 B5R0.3 CCC(=O)CBr OR1465 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CCC(Br)CBr OR70073 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 CCC(C)CN OR28802 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CCC(C)NN OR318093 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.3 CCC(C)OC OR14508 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.3 CCC(N)CC OR10080 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CCC(N)CO OR16670 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.3 CCC(O)CC OR10042 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 CCC(O)CN OR1554 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CC[C@@H](N)CO OR5871 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 CC[C@@H](O)CO OR52088 [0,0,0,0,0,0|1,0,0]=1 13 B5R0.3 CC[C@H](N)CO OR5854 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.3 CN[C@@H](C)CO OR55461 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CN[C@H](C)CO OR55460 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.3 COC(=O)CO OR21875 [0,0,0,0,0,0|2,0,2]=4 17 B5R0.3 ClCC(Br)CBr OR1177 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 NC(CO)CO OR5368 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.3 NCC(O)CN OR1859 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.3 NCC(O)CO OR10134 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.3 NC[C@H](O)CO OR42150 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.3 O=C(CBr)CBr OR16995 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.3 OC(CBr)CBr OR1061 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.3 OC(CCl)CCl OR61346 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.3 OCC(Br)CBr OR4897 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.3 OCC(O)CBr OR3095 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.3 OCC(O)CS OR61438 [0,0,0,0,0,0|0,1,0]=1 28 B4R0.1 C#CC(C)O OR01834 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C#C[C@@H](C)O OR16943 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C#C[C@H](C)O OR40593 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 C=C(C)CBr OR17610 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.1 C=C(C)CC OR14507 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 C=C(C)CCl OR16423 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 C=C(C)CN OR10897 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C=C(C)CN OR59958 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C=C(C)CO OR16426 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 C=C(Cl)CO OR9536 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 C=CC(C)C OR460043 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 C=CC(C)Cl OR55516 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(=O)CO OR17702 [1,0,0,0,0,0|0,0,2]=3 41 B4R0.1 CC(=O)NO OR6375T [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 CC(C)C=O OR322092 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CC(C)CI OR2195 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(C)NN OR7919 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(C)NO OR59437 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(C)ON OR933332 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CC(C)[Mg]Br OR320105 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 CC(C)[Mg]Br OR320106 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 CC(C)[Mg]Cl OR320107 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CCB(O)O OR8874 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CCC(C)Br OR4335 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CCC(C)Cl OR460003 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CCC(C)I OR5340 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CC[C@@H](C)N OR59999 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 CC[C@@H](C)O OR304038 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 CC[C@H](C)N OR60000 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 CC[C@H](C)O OR4619 [1,0,0,0,0,0|1,0,0]=2 58 B4R0.1 C[C@@H](N)CO OR0903 [1,0,0,0,0,0|1,0,0]=2 59 B4R0.1 C[C@@H](O)CN OR304058 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 C[C@H](N)CO OR5875 [1,0,0,0,0,0|1,0,0]=2 61 B4R0.1 C[C@H](O)CN OR30797 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.1 C\C(N)=N\O OR30585 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 NC(=O)CO OR21888 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.1 O=C(O)CBr OR6366 [1,0,0,0,0,0|1,0,2]=4 65 B4R0.1 O=C(O)CI OR322006 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 O=C(O)CO OR13191 [1,0,0,0,0,0|0,0,2]=3 67 B4R0.1 O=S([O-])CO OR922468 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 BrCCCBr OR0972 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 C#CCCC OR5512 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 C#CCCO OR1952 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.2 C=CCCBr OR8033 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 C=CCCC OR5326 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 CC#CCO OR14505 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.2 CC=CCO OR18372 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 CCCC#N OR9437 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 CCCCBr OR460056 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 CCCCI OR3174 [1,0,0,0,0,0|2,0,0]=3 78 B4R0.2 CNCCN OR6516 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.2 COCCBr OR11137 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.2 COCCN OR59868 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.2 CSCCN OR4873 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 ClCCCCl OR0973 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 ClCCCI OR2939 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 ICCCI OR4510 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.2 N#CCCBr OR322150 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 N#CCCO OR3049 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.2 NCCCBr OR322151 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.2 NNCCO OR9124 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.2 OCCCBr OR0978 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.2 OCCCCl OR0977 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.1 CNCC(O)CO OR13648 [0,1,0,0,0,0|1,0,0]=2 92 B6R0.1 COCC(O)CO OR30517 [0,1,0,0,0,0|0,0,0]=1 93 B6R0.1 OCC[C@@H](O)CO OR4602 [0,1,0,0,0,0|0,0,0]=1 94 B6R0.1 OCC[C@H](O)CO OR5242 [0,1,0,0,0,0|0,0,0]=1 95 B6R0.3 CC(C)C(N)CO OR17684 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CC(C)[C@@H](N)CO OR5885 [0,1,0,0,0,0|2,0,0]=3 97 B6R0.3 CC(C)[C@H](N)CO OR5874 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.3 CCC(N)C(=O)O OR9986 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CC[C@H](C)C(=O)O OR315294 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 CC[C@H](N)C(=O)O OR01636 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.3 NCC(N)C(=O)O OR42215 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 NCC(N)C(=O)O OR5494 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.3 NCC(O)C(=O)O OR322969 [0,1,0,0,0,0|1,0,1]=3 106 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [0,1,0,0,0,0|1,1,1]=4 107 B6R0.3 O=C(O)C(Br)CBr OR4887 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.8 CC(C)(CN)CN OR4925 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.8 CNC(C)(C)CO OR301186 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.8 ClCC(Cl)(Br)CBr OR43547 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.8 ClCC(Cl)(Cl)CCl OR8992 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.9 CCC(CC)=NO OR30404 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.9 CCC(CC)CBr OR59423 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.9 CCC(CC)CN OR2434 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.9 CCC(CC)NN OR55003 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.9 COC(CN)OC OR4745 [0,1,0,0,0,0|3,0,0]=4 117 B6R1.2 BrC1CCCC1 OR10098 [0,0,0,1,0,0|3,0,0]=4 118 B6R1.2 CC1CCNC1 OR313066 [0,0,0,1,0,0|3,0,0]=4 119 B6R1.2 C[C@H]1CCNC1 OR313067 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 ClC1CCCC1 OR10099 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 IC1CCOC1 OR52585 [0,0,0,1,0,0|2,0,0]=3 122 B6R1.2 I[C@@H]1CCOC1 OR52586 [0,0,0,1,0,0|2,0,0]=3 123 B6R1.2 NC1CC=CC1 OR301049 [0,0,0,1,0,0|3,0,0]=4 124 B6R1.2 NC1CCCC1 OR10097 [0,0,0,1,0,0|3,0,0]=4 125 B6R1.2 NC1CCNC1 OR52187 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 NC1CCOC1 OR301034 [0,0,0,1,0,0|2,0,0]=3 127 B6R1.2 NC1CCOC1 OR40690 [0,0,0,1,0,0|2,0,0]=3 128 B6R1.2 N[C@@H]1CCOC1 OR322597 [0,0,0,1,0,0|2,0,0]=3 129 B6R1.2 N[C@@H]1CCOC1 OR4604 [0,0,0,1,0,0|2,0,0]=3 130 B6R1.2 N[C@H]1CCOC1 OR322596 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 O=C1CCOC1 OR30821 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.2 OC1CCCC1 OR10094 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 OC1CCNC1 OR9068 [0,0,0,1,0,0|2,0,0]=3 134 B6R1.2 O[C@@H]1CCNC1 OR15681 [0,0,0,1,0,0|2,0,0]=3 135 B6R1.2 O[C@@H]1CCNC1 OR4628 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 O[C@@H]1CCOC1 OR4601 [0,0,0,1,0,0|1,0,0]=2 137 B6R1.2 O[C@H]1CCNC1 OR15682 [0,0,0,1,0,0|2,0,0]=3 138 B6R1.2 O[C@H]1CCNC1 OR4627 [0,0,0,1,0,0|2,0,0]=3 139 B6R1.2 O[C@H]1CCOC1 OR4603 [0,0,0,1,0,0|1,0,0]=2 140 B6R1.6 BrCC1CCC1 OR451132 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.6 BrCC1CCO1 OR309080 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.6 BrCC1COC1 OR315564 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.6 CNC1COC1 OR308005 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.6 NCC1CCC1 OR308087 [0,0,0,1,0,0|3,0,0]=4 145 B6R1.6 NCC1CCC1 OR312056 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.6 NCC1CCO1 OR61268 [0,0,0,1,0,0|2,0,0]=3 147 B6R1.6 NNC1COC1 OR315180 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.6 O=CC1COC1 OR309108 [0,0,0,1,0,0|1,0,2]=4 149 B6R1.6 OCC1CCC1 OR61204 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.6 OCC1CCN1 OR309020 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.6 OCC1CNC1 OR308022 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.6 OCC1COC1 OR308006 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.6 OC[C@H]1CCN1 OR317202 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.7 CC1(CCl)CO1 OR23797 [0,0,0,1,0,0|2,0,0]=3 155 B6R1.7 CC1(CO)N=N1 OR52163 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.7 CCC1(C)CO1 OR70119 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.7 NC1(CO)CC1 OR302448 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.7 OCC1(O)CC1 OR32360 [0,0,0,1,0,0|1,0,0]=2 159 B3R0.1 BrCCI OR460045 [2,0,0,0,0,0|2,0,0]=4 160 B3R0.1 C#CCC OR19587 [2,0,0,0,0,0|1,0,1]=4 161 B3R0.1 C=CCC OR8591 [2,0,0,0,0,0|1,0,1]=4 162 B3R0.1 CCC=O OR17251 [2,0,0,0,0,0|0,0,2]=4 163 B3R0.1 CCCC OR8385 [2,0,0,0,0,0|1,0,0]=3 164 B3R0.1 CCCCl OR460042 [2,0,0,0,0,0|1,0,0]=3 165 B3R0.1 CCCI OR4541 [2,0,0,0,0,0|1,0,0]=3 166 B3R0.1 CCCN OR15743 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.1 CCNC OR30626 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.1 CCNN OR939620 [2,0,0,0,0,0|2,0,0]=4 169 B3R0.1 CC[Mg]Br OR320091 [2,0,0,0,0,0|2,0,0]=4 170 B3R0.1 CC[Mg]Br OR320094 [2,0,0,0,0,0|2,0,0]=4 171 B3R0.1 COCBr OR11138 [2,0,0,0,0,0|2,0,0]=4 172 B3R0.1 CSCCl OR39998 [2,0,0,0,0,0|2,0,0]=4 173 B3R0.1 ClCCI OR51875 [2,0,0,0,0,0|2,0,0]=4 174 B3R0.1 ICCI OR2622 [2,0,0,0,0,0|2,0,0]=4 175 B3R0.1 NCCBr OR1160 [2,0,0,0,0,0|2,0,0]=4 176 B3R0.1 NCCS OR9920T [2,0,0,0,0,0|1,1,0]=4 177 B3R0.1 OCCBr OR30640 [2,0,0,0,0,0|1,0,0]=3 178 B3R0.2 C=C(C)C OR40492 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.2 CB(O)O OR3322 [2,0,0,0,0,0|1,0,0]=3 180 B3R0.2 CC(=O)O OR28877 [2,0,0,0,0,0|0,0,2]=4 181 B3R0.2 CC(=O)O OR40340 [2,0,0,0,0,0|0,0,2]=4 182 B3R0.2 CC(C)I OR4540 [2,0,0,0,0,0|1,0,0]=3 183 B3R0.2 CC(C)N OR61315 [2,0,0,0,0,0|1,0,0]=3 184 B3R0.2 CC(Cl)Cl OR3712 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.2 CN(C)C OR5415 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.2 CS(C)=O OR61029 [2,0,0,0,0,0|1,0,1]=4 187 B3R0.2 C[13C](=O)O OR60238 [2,0,0,0,0,0|0,0,2]=4 188 B3R0.2 C[SiH](C)C OR17012 [2,0,0,0,0,0|1,1,0]=4 189 B5R0.1 C=CC[C@H](C)O OR304051 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.1 CC(=O)NCO OR61255 [1,1,0,0,0,0|0,0,2]=4 191 B5R0.1 CC(C)CC#N OR52674 [1,1,0,0,0,0|2,0,0]=4 192 B5R0.1 CC(C)CCI OR8220 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.1 CC(C)CCN OR12816 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.1 CC(C)CCO OR460021 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 CC(C)CNN OR0203 [1,1,0,0,0,0|2,0,0]=4 196 B5R0.1 CC(C)C[Mg]Br OR52618 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.1 CC(O)CC#N OR2847 [1,1,0,0,0,0|1,0,0]=3 198 B5R0.1 CCCB(O)O OR8415 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.1 CCCC(C)N OR10075 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.1 C[C@@H](O)CCO OR2223 [1,1,0,0,0,0|0,0,0]=2 201 B5R0.1 O=C(O)CCO OR59874 [1,1,0,0,0,0|0,0,2]=4 202 B5R0.1 O=C(O)CCO OR70031 [1,1,0,0,0,0|0,0,2]=4 203 B5R0.4 CC(C)(C)CCl OR460072 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.4 CC(C)(C)CN OR938214 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.4 CC(C)(C)NO OR24575 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.4 CC(C)(C)NO OR45111 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.4 CC(C)(Cl)CCl OR16427 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.4 CC(C)(N)CN OR30693 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.4 CC(C)(N)CO OR1740T [1,1,0,0,0,0|1,0,0]=3 210 B5R0.4 CC(C)(O)CCl OR4348 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.4 CC(C)(O)CN OR301207 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.4 CC(C)(O)CO OR310412 [1,1,0,0,0,0|0,0,0]=2 213 B5R0.4 OCC(Br)(Br)Br OR1882 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.4 OCC(Cl)(Cl)Cl OR40732 [1,1,0,0,0,0|2,0,0]=4 215 B5R0.5 CC(C)B(O)O OR8880 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.5 CC(C)C(C)C OR53144 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 CC(C)C(C)O OR10026 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.5 C[C@@H](Cl)C(=O)O OR52411 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.5 C[C@@H](O)C(=O)O OR960721 [1,1,0,0,0,0|0,0,1]=3 220 B5R0.5 C[C@@H](O)C(N)=O OR18079 [1,1,0,0,0,0|0,0,2]=4 221 B5R0.5 C[C@@H](O)[C@@H](C)O OR15918 [1,1,0,0,0,0|0,0,0]=2 222 B5R0.5 C[C@H](Cl)C(=O)O OR28944 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.5 C[C@H](O)[C@H](C)O OR15919 [1,1,0,0,0,0|0,0,0]=2 224 B5R0.5 OB(O)B(O)O OR60243 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.2 C#CCCCC OR0049 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.2 C#CCCCCl OR14511 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.2 C#CCCCO OR5518 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.2 C=CCCCBr OR30608 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.2 C=COCCO OR904259 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.2 CCC#CCO OR5519 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.2 CCCCC=O OR5422 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.2 CCCCCBr OR5396 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.2 CCCCCI OR53033 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.2 CCCCCN OR10079 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.2 CCCCCO OR5324 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.2 CCCC[Mg]Br OR320111 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.2 CCNCCN OR6517 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.2 CCSCCCl OR10841 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.2 CCSCCN OR8640 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.2 CNCCCO OR309167 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.2 COCCCBr OR911631 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.2 COCCCN OR54484 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.2 COCCCO OR0976 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.2 CSCCCN OR12831 [1,1,0,0,0,0|1,1,0]=4 245 B5R0.2 ClCCCCBr OR919950 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.2 ClCCCCI OR61420 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.2 ICCCCI OR460062 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.2 N#CCCCBr OR45083 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.2 OCCCCBr OR4233 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.2 OCCCCCl OR13226 [1,1,0,0,0,0|1,0,0]=3 251 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.2 CCC(C)CC(=O)O OR5351 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.2 CCC(N)CC(=O)O OR16680 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.2 CC[C@@H](N)CC(=O)O OR40585 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.2 CN(C)CC(O)CCl OR11726 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.2 NCC(O)CC(=O)O OR1057 [0,2,0,0,0,0|1,0,0]=3 257 B7R0.3 CCCC[C@@H](N)CO OR316035 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.3 CCCC[C@H](N)CO OR316034 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.5 COCC(Cl)C(=O)O OR15940 [0,2,0,0,0,0|1,0,1]=4 260 B7R0.5 COCC(N)C(=O)O OR14804 [0,2,0,0,0,0|1,0,1]=4 261 B7R0.5 COC[C@H](N)C(=O)O OR55011 [0,2,0,0,0,0|1,0,1]=4 262 B7R0.5 N[C@@H](CCO)C(=O)O OR304076 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.7 CSCC(O)CSC OR23811 [0,2,0,0,0,0|0,2,0]=4 264 B7R0.10 CC[C@@H](O)C(=O)OC OR52393 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.10 OC[C@@H](O)[C@H](O)CO OR315319 [0,2,0,0,0,0|0,0,0]=2 266 B7R0.10 OC[C@H](O)[C@@H](O)CO OR55453 [0,2,0,0,0,0|0,0,0]=2 267 B7R0.10 OC\C(Br)=C(/Br)CO OR18405 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.14 CC(C)(C)[C@@H](N)CO OR40208 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.14 CC(C)(C)[C@H](N)CO OR26748 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.15 CN[C@@H](CO)C(=O)O OR54415 [0,2,0,0,0,0|1,0,1]=4 271 B7R0.15 O=C(O)C(CBr)CBr OR22434 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.16 CC(C)[C@@H](O)C(=O)O OR6367 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.16 CC(C)[C@H](O)C(=O)O OR17815 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O OR316027 [0,2,0,0,0,0|1,0,1]=4 275 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O OR2477 [0,2,0,0,0,0|1,0,1]=4 276 B5R1.2 BrC1CCC1 OR41168 [1,0,0,1,0,0|2,0,0]=4 277 B5R1.2 BrC1COC1 OR301081 [1,0,0,1,0,0|1,0,0]=3 278 B5R1.2 NC1CCC1 OR59991 [1,0,0,1,0,0|2,0,0]=4 279 B5R1.2 NC1COC1 OR308008 [1,0,0,1,0,0|1,0,0]=3 280 B5R1.2 O=C1COC1 OR301011 [1,0,0,1,0,0|0,0,2]=4 281 B5R1.2 OC1CNC1 OR1873 [1,0,0,1,0,0|1,0,0]=3 282 B5R1.2 OC1CNC1 OR301160 [1,0,0,1,0,0|1,0,0]=3 283 B5R1.2 OC1COC1 OR60206 [1,0,0,1,0,0|0,0,0]=2 284 B5R1.3 BrCC1CC1 OR28323 [1,0,0,1,0,0|2,0,0]=4 285 B5R1.3 C=CC1CO1 OR40458 [1,0,0,1,0,0|1,0,1]=4 286 B5R1.3 CCC1CO1 OR40339 [1,0,0,1,0,0|1,0,0]=3 287 B5R1.3 CC[C@@H]1CO1 OR42174 [1,0,0,1,0,0|1,0,0]=3 288 B5R1.3 CC[C@H]1CO1 OR42173 [1,0,0,1,0,0|1,0,0]=3 289 B5R1.3 ClCC1CC1 OR460074 [1,0,0,1,0,0|2,0,0]=4 290 B5R1.3 ClC[C@@H]1CO1 OR28971 [1,0,0,1,0,0|1,0,0]=3 291 B5R1.3 ClC[C@H]1CO1 OR28970 [1,0,0,1,0,0|1,0,0]=3 292 B5R1.3 NCC1CC1 OR17033 [1,0,0,1,0,0|2,0,0]=4 293 B5R1.3 NCC1CC1 OR1937 [1,0,0,1,0,0|2,0,0]=4 294 B5R1.3 OCC1CC1 OR6507 [1,0,0,1,0,0|1,0,0]=3 295 B5R1.3 OCC1CO1 OR3778 [1,0,0,1,0,0|0,0,0]=2 296 B5R1.3 OC[C@@H]1CO1 OR70065 [1,0,0,1,0,0|0,0,0]=2 297 B5R1.3 OC[C@H]1CO1 OR42180 [1,0,0,1,0,0|0,0,0]=2 298 B5R1.5 CC1(C)CN1 OR303021 [1,0,0,1,0,0|2,0,0]=4 299 B5R1.5 CC1(N)CC1 OR16691 [1,0,0,1,0,0|2,0,0]=4 300 B5R1.1 C1=CCCC1 OR10096 [1,0,0,1,0,0|2,0,0]=4 301 B5R1.1 C1=COCC1 OR2896 [1,0,0,1,0,0|1,0,1]=4 302 B5R1.1 C1=NCCO1 OR305316 [1,0,0,1,0,0|2,0,0]=4 303 B5R1.1 C1CCCC1 OR61603 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.1 C1CCNC1 OR0971 [1,0,0,1,0,0|2,0,0]=4 305 B5R1.1 C1CCOC1 OR30761S [1,0,0,1,0,0|1,0,0]=3 306 B5R1.1 C1CNOC1 OR55263 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.1 BrCC1CCCO1 OR23265 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.1 BrCC1OCCO1 OR54338 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.1 COC1CCCC1 OR55202 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.1 CO[C@@H]1CCNC1 OR451217 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.1 NCC1CCCO1 OR10076 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.1 NCC1CCOC1 OR17201 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.1 OCC1CCCC1 OR46003 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.1 OCC1CCCN1 OR13968 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.1 OCC1CCNC1 OR309156 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.1 OCC1CCOC1 OR322139 [0,1,0,1,0,0|1,0,0]=3 317 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,1,0,1,0,0|1,0,0]=3 319 B7R1.1 OC[C@@H]1CCNC1 OR309158 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,1,0,1,0,0|1,0,0]=3 322 B7R1.1 OC[C@H]1CCNC1 OR309159 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.2 CN1CCC(O)C1 OR5467 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,1,0,1,0,0|0,0,1]=3 327 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.3 BrC1CCOCC1 OR19531 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.3 CC1CCOCO1 OR10967 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.3 CC1COCCN1 OR41010 [0,1,0,1,0,0|2,0,0]=4 331 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,1,0,1,0,0|2,0,0]=4 332 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.3 C[C@H]1COCCN1 OR308174 [0,1,0,1,0,0|2,0,0]=4 334 B7R1.3 IC1CCOCC1 OR9693 [0,1,0,1,0,0|2,0,0]=4 335 B7R1.3 NC1CCCOC1 OR52254 [0,1,0,1,0,0|2,0,0]=4 336 B7R1.3 NC1CCCOC1 OR70184 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.3 NC1CCOCC1 OR10342 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.3 NC1CCOCC1 OR10342S [0,1,0,1,0,0|2,0,0]=4 339 B7R1.3 NC1CCOCC1 OR10343 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.3 OC1CCCNC1 OR350185 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.3 OC1CCCOC1 OR46583 [0,1,0,1,0,0|1,0,0]=3 342 B7R1.3 OC1CCNCC1 OR9943 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.3 OC1CCOCC1 OR14305 [0,1,0,1,0,0|1,0,0]=3 344 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307606 [0,1,0,1,0,0|2,0,0]=4 347 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307607 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307678 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.4 N[C@@H]1COC[C@@H]1O OR307686 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,1,0,1,0,0|0,0,2]=4 351 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,1,0,1,0,0|0,0,2]=4 352 B7R1.4 O[C@@H]1CNC[C@H]1O OR55391 [0,1,0,1,0,0|1,0,0]=3 353 B7R1.4 O[C@@H]1CNC[C@H]1O OR55392 [0,1,0,1,0,0|1,0,0]=3 354 B7R1.4 O[C@H]1COC[C@@H]1O OR8886 [0,1,0,1,0,0|0,0,0]=2 355 B7R1.6 CCNC1COC1 OR312181 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.6 COCC1CNC1 OR309003 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.6 OCCC1COC1 OR309064 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.10 NCC1CC(O)C1 OR317061 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.10 NC[C@H]1C[C@@H](O)C1 OR308088 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.10 NC[C@H]1C[C@H](O)C1 OR317067 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.10 N[C@H]1C[C@@H](CO)C1 OR308093 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.10 O=C1CC(CO)C1 OR308103 [0,1,0,1,0,0|1,0,1]=4 363 B7R1.10 O=C1CC(CO)N1 OR51994 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.10 OCC1CC(Cl)C1 OR54434 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.22 NC(CO)C1CC1 OR451109 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.25 C#CC1(O)COC1 OR312013 [0,1,0,1,0,0|1,0,1]=4 367 B7R1.25 CC1(CBr)COC1 OR309052 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.25 CC1(CO)CCO1 OR309085 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.25 CC1(CO)CSC1 OR312064 [0,1,0,1,0,0|1,1,0]=4 370 B7R1.25 NC1(CO)CCC1 OR317075 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.25 NC1(CO)COC1 OR309090 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.25 OCC1(O)CCC1 OR54527 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.25 OCC1(O)CNC1 OR306501 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.18 O=C(O)C1COC1 OR309073 [0,1,0,1,0,0|1,0,1]=4 375 B7R1.19 O=C(O)C1(O)CC1 OR15989 [0,1,0,1,0,0|1,0,1]=4 376 B7R1.23 OCC1CC1(Cl)Cl OR22120 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.29 NCC1(CO)CC1 OR315352 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.29 OCC1(CO)CC1 OR6432 [0,1,0,1,0,0|1,0,0]=3 379 B7R2.13 C1CC2OC2C1 OR4849 [0,0,0,2,0,0|2,0,0]=4 380 B7R2.13 C1OCC2OC12 OR10868 [0,0,0,2,0,0|1,0,0]=3