0 B6R0.1 C#CC(=O)OCC OR28819 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.1 CCC(=O)CC#N OR61297 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 CCCC(=N)NO OR12351 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCCC(C)C=O OR40018 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCNC(=O)CBr OR40485 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCOC(=O)C#N OR17890 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCOC(=O)C=O OR59968 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCOC(=O)CN OR43634 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCOC(=O)CS OR17516 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCOC(=O)NN OR25885 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CCOC(=O)NO OR9111 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 CNC(=O)CC#N OR21454 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.1 CNC(=O)CCN OR16480 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 CNC(=O)CCN OR51734 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.1 CNCC(=O)OC OR26803 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 CNCC(O)CO OR13648 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 COC(=O)CC#N OR13190 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 COC(=O)CCS OR28780 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.1 COC(=O)CSC OR9387 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.1 COCC(O)CO OR30517 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 N#CCC(=O)NN OR24063 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 O=C=NC(=O)CCl OR59429 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 OCC[C@@H](O)CO OR4602 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 OCC[C@H](O)CO OR5242 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.1 [C-]#[N+]CC(=O)OC OR54541 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 C=CNC(C)=O OR938950 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CC#CC(=O)O OR315221 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 CC(=O)NCO OR61255 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.1 CC(C)=CCBr OR46013 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(C)=CCCl OR22167 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(C)CCI OR8220 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 CC(C)CCN OR12816 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CC(C)CCO OR460021 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CCCB(O)O OR8415 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CCCC(=O)O OR6005 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CCCC(=O)[O-] OR8783 [1,0,0,0,0,0|1,0,0]=2 36 B5R0.1 CCCC(C)N OR10075 [1,0,0,0,0,0|1,0,1]=3 37 B5R0.1 CCNC(N)=O OR42229 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 CCOC(=S)[S-] OR59885 [1,0,0,0,0,0|2,1,0]=4 39 B5R0.1 CN(C)CCN OR6514 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 COCC(=O)Cl OR40393 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.1 CSCC(=O)O OR4573 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 C[C@@H](O)CCO OR2223 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.1 NC(=O)CCBr OR322315 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 NC(=O)CCCl OR26786 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 NCCC(=O)O OR5225 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 O=C(Cl)CCCl OR11057 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 O=C(O)CCBr OR8993 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 O=C(O)CCO OR59874 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 O=C(O)CCO OR70031 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 BrC\C=C\CBr OR3193 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 C#CCCCC OR0049 [1,0,0,0,0,0|0,0,3]=4 52 B5R0.2 CCC#CCC OR5524 [1,0,0,0,0,0|0,0,2]=3 53 B5R0.2 CCC#CCO OR5519 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.2 CCCCC=O OR5422 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.2 CCCCCBr OR5396 [1,0,0,0,0,0|1,0,1]=3 56 B5R0.2 CCCCCI OR53033 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.2 CCCCCN OR10079 [1,0,0,0,0,0|1,0,1]=3 58 B5R0.2 CCCCCO OR5324 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.2 CCCC[Mg]Br OR320111 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 CCCN=C=S OR30307 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 CCNCCN OR6517 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.2 CCO\C=C/Br OR10832 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.2 CCSCCCl OR10841 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.2 CCSCCN OR8640 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 CNCCCO OR309167 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 CNCCNC OR322130 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 COCCCBr OR911631 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 COCCCN OR54484 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 COCCCO OR0976 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 CSCCCN OR12831 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.2 ClCCCCBr OR919950 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.2 ClCCCCI OR61420 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.2 ICCCCI OR460062 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 OCCCCBr OR4233 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.2 OCCCCCl OR13226 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 C#CC(=O)OC OR0649 [1,0,0,0,0,0|1,0,2]=4 77 B5R0.3 C=C(CCl)CCl OR11145 [1,0,0,0,0,0|3,0,0]=4 78 B5R0.3 C=C(CO)CO OR54371 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.3 C=CC(=O)CC OR70148 [1,0,0,0,0,0|0,0,2]=3 80 B5R0.3 C=CC(=O)OC OR322452 [1,0,0,0,0,0|1,0,2]=4 81 B5R0.3 CCC(=O)CBr OR1465 [1,0,0,0,0,0|1,0,0]=2 82 B5R0.3 CCC(Br)CBr OR70073 [1,0,0,0,0,0|2,0,1]=4 83 B5R0.3 CCC(C)CN OR28802 [1,0,0,0,0,0|2,0,1]=4 84 B5R0.3 CCC(C)OC OR14508 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.3 CCC(N)CC OR10080 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.3 CCC(N)CO OR16670 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.3 CCC(O)CC OR10042 [1,0,0,0,0,0|0,0,2]=3 88 B5R0.3 CCC(O)CN OR1554 [1,0,0,0,0,0|1,0,2]=4 89 B5R0.3 CC[C@@H](N)CO OR5871 [1,0,0,0,0,0|2,0,1]=4 90 B5R0.3 CC[C@@H](O)CO OR52088 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.3 CC[C@H](N)CO OR5854 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.3 COC(=O)CN OR52169 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.3 COC(=O)CO OR21875 [1,0,0,0,0,0|2,0,0]=3 94 B5R0.3 COC(=O)CS OR62074 [1,0,0,0,0,0|2,0,0]=3 95 B5R0.3 O=C(CBr)CBr OR16995 [1,0,0,0,0,0|2,0,0]=3 96 B7R0.2 CC(C)C[C@H](N)CO OR8973 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.2 CC(C)NC(=O)CCl OR25475 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.2 CC(C)NC(=O)CN OR8216 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.2 CC(C)OC(=O)CBr OR55079 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.2 CCC(C)CC(C)C OR52416 [0,1,0,0,0,0|1,0,1]=3 101 B7R0.2 CCC(C)CC(C)N OR2894 [0,1,0,0,0,0|1,0,1]=3 102 B7R0.2 CNC(=O)CC(C)=O OR54480 [0,1,0,0,0,0|1,0,1]=3 103 B7R0.2 COC(=O)C=C(C)C OR7136 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.2 COC(=O)CC(=N)N OR471204 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.2 COC(=O)CC(=O)Cl OR8845 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.2 COC(=O)CC(=O)O OR54514 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.2 COC(=O)CC(=O)[O-] OR25586 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.2 COC(=O)CC(C)=O OR54474 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.2 COC(=O)C[C@@H](C)N OR913686 [0,1,0,0,0,0|1,0,0]=2 110 B7R0.2 COC(=O)C[C@@H](C)O OR28835 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.2 COC(=O)C[N+](=O)[O-] OR2038 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.2 COC(=O)\C=C(\C)N OR11326 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.3 C#CCNC(=O)CCl OR0726 [0,1,0,0,0,0|1,0,2]=4 114 B7R0.3 C=CC(=O)NCCN OR55289 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.3 C=CCNC(=O)CCl OR2301 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.3 CCC=CC(=O)OC OR40582 [0,1,0,0,0,0|1,0,1]=3 117 B7R0.3 CCCCC(C)CC OR9114 [0,1,0,0,0,0|1,0,1]=3 118 B7R0.3 CCCC[C@@H](N)CO OR316035 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.3 CCCC[C@H](N)CO OR316034 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.3 CC\C(C)=C\CCBr OR3009 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.3 CC\C=C\C(=O)OC OR6667 [0,1,0,0,0,0|1,0,1]=3 122 B7R0.3 CNCCC(=O)NC OR17002 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.3 COC(=O)C=CCBr OR10966 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.3 COC(=O)CCC=O OR313049 [0,1,0,0,0,0|1,0,1]=3 125 B7R0.3 COC(=O)CCCN OR22446 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.5 CC(C)C(=O)CC#N OR61296 [0,1,0,0,0,0|1,0,1]=3 127 B7R0.5 CCOC(=O)C(=O)Cl OR17200 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.5 CCOC(=O)C(=O)[O-] OR303345 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.5 CCOC(=O)C(C)=O OR7781 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.5 CCOC(=O)C(C)Br OR2205 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.5 CCOC(=O)C(N)=S OR10873 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [0,1,0,0,0,0|1,0,0]=2 133 B7R0.5 CN(C)C(=O)CC#N OR24266 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.7 CC#CC(=O)OCC OR14510 [0,1,0,0,0,0|0,0,2]=3 135 B7R0.7 CC(CCBr)CCBr OR59902 [0,1,0,0,0,0|2,0,1]=4 136 B7R0.7 CCCC(=O)OCCl OR16070 [0,1,0,0,0,0|1,0,0]=2 137 B7R0.7 CCCC(N)CCC OR6158 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.7 CCNC(=O)CC#N OR23490 [0,1,0,0,0,0|1,0,1]=3 139 B7R0.7 CCNC(=O)CNC OR12098 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.7 CCNC(=O)NCC OR323264 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.7 CCOC(=O)CC#N OR28668 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.7 CCOC(=O)CCCl OR54512 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.7 CCOC(=O)CCN OR26826 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.7 CCOC(=O)COC OR30271 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.7 CCOC(=O)N=C=S OR59819 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.7 CCOC(=O)\C=C/Br OR27617 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.7 CSCC(O)CSC OR23811 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.7 O=C(CCCl)CCCl OR53098 [0,1,0,0,0,0|1,0,0]=2 149 B7R0.7 [C-]#[N+]CC(=O)OCC OR18110 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.10 C=C(CBr)C(=O)OC OR322335 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.10 C=CC(O)C(=O)OC OR936535 [0,1,0,0,0,0|1,0,2]=4 152 B7R0.10 CCC(=O)N(C)OC OR962763 [0,1,0,0,0,0|2,0,0]=3 153 B7R0.10 CCC(Br)C(=O)OC OR8824 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.10 CCC(N)C(=O)OC OR322366 [0,1,0,0,0,0|1,0,0]=2 155 B7R0.10 CC[C@@H](O)C(=O)OC OR52393 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.10 COC(=O)C(=O)CBr OR8931 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.10 COC(=O)C(Br)CBr OR3479 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.10 COC(=O)C(Cl)C=O OR300674 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.10 COC(=O)C(N)CS OR26796 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.10 CON(C)C(=O)CCl OR10843 [0,1,0,0,0,0|3,0,0]=4 161 B7R1.1 BrCC1CCCC1 OR18584 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.1 BrCC1CCCO1 OR23265 [0,0,0,1,0,0|1,0,2]=4 163 B7R1.1 COC1CCCC1 OR55202 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.1 ClCC1=NCCN1 OR7709 [0,0,0,1,0,0|3,0,0]=4 165 B7R1.1 ICC1CCCC1 OR16976 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.1 NCC1CCCO1 OR10076 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.1 NC[C@H]1CCCN1 OR307046 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.1 OCC1CCCC1 OR46003 [0,0,0,1,0,0|2,0,1]=4 169 B7R1.1 OCC1CCCN1 OR13968 [0,0,0,1,0,0|2,0,1]=4 170 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,0,0,1,0,0|2,0,1]=4 171 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,0,0,1,0,0|0,0,2]=3 175 B7R1.2 CC1CCC(C)N1 OR014993 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.2 CC1CCC(C)N1 OR2880 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 CN1CCC(O)C1 OR5467 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.2 CN1CC[C@@H](N)C1 OR308141 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.2 CN1CC[C@H](N)C1 OR308140 [0,0,0,1,0,0|2,0,1]=4 181 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [0,0,0,1,0,0|1,0,2]=4 183 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,0,0,1,0,0|1,0,1]=3 184 B7R1.2 O=C1CCC(=O)O1 OR42120 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.2 O=C1COC(=O)C1 OR15973 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.2 O=C1COC(=O)C1 OR28721 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,0,0,1,0,0|2,0,0]=3 188 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.3 BrC1CCOCC1 OR19531 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.3 CC1=CCCCC1 OR7135 [0,0,0,1,0,0|1,0,1]=3 192 B7R1.3 CC1CCCCN1 OR8797 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.3 CC1CCCNC1 OR5090 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 CC1CCNCC1 OR8800 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.3 CN1CCCCC1 OR13633 [0,0,0,1,0,0|2,0,0]=3 196 B7R1.3 CN1CCNCC1 OR18370 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.3 CN1CCOCC1 OR16938 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.3 C[C@@H]1CCCCN1 OR313055 [0,0,0,1,0,0|2,0,1]=4 199 B7R1.3 IC1CCOCC1 OR9693 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.3 NC1CCCNC1 OR6131 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.3 NC1CCCOC1 OR52254 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.3 NC1CCCOC1 OR70184 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.3 NC1CCNCC1 OR4858 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.3 NC1CCOCC1 OR10342 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.3 NC1CCOCC1 OR10342S [0,0,0,1,0,0|2,0,1]=4 206 B7R1.3 NC1CCOCC1 OR10343 [0,0,0,1,0,0|2,0,1]=4 207 B7R1.3 NC1CCSCC1 OR8412 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.3 NN1CCCCC1 OR30621 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 NN1CCNCC1 OR5119 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.3 NN1CCOCC1 OR18291 [0,0,0,1,0,0|3,0,0]=4 211 B7R1.3 N[C@@H]1CCCNC1 OR4587 [0,0,0,1,0,0|2,0,1]=4 212 B7R1.3 N[C@H]1CCCNC1 OR4585 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.3 O=C1C=CCCC1 OR18379 [0,0,0,1,0,0|0,0,2]=3 214 B7R1.3 O=C1C=CCCO1 OR70226 [0,0,0,1,0,0|1,0,2]=4 215 B7R1.3 O=C1CCCCN1 OR5194 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.3 O=C1CCCCO1 OR10065 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.3 O=C1CCCNC1 OR40196 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.3 O=C1CCCOC1 OR301349 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.3 O=C1CCNCC1 OR55344 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.3 O=C1CCNCC1 OR6945 [0,0,0,1,0,0|1,0,0]=2 221 B7R1.3 O=C1CCOCC1 OR9280 [0,0,0,1,0,0|1,0,0]=2 222 B7R1.3 O=C1CCSCC1 OR27391 [0,0,0,1,0,0|1,0,0]=2 223 B7R1.3 O=C1CNCCN1 OR4565 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.3 O=C1COCCN1 OR301177 [0,0,0,1,0,0|2,0,0]=3 225 B7R1.3 O=C1OCCCO1 OR41165 [0,0,0,1,0,0|2,0,0]=3 226 B7R1.3 OC1CCCNC1 OR350185 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.3 OC1CCCOC1 OR46583 [0,0,0,1,0,0|1,0,2]=4 228 B7R1.3 OC1CCNCC1 OR9943 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.3 OC1CCOCC1 OR14305 [0,0,0,1,0,0|1,0,2]=4 230 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,0,0,1,0,0|1,0,2]=4 231 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.3 S=C1NCCCN1 OR21392 [0,0,0,1,0,0|2,1,0]=4 233 B7R1.3 S=C1NCCCS1 OR15461 [0,0,0,1,0,0|2,1,0]=4 234 B7R1.3 SC1CCCCC1 OR5294 [0,0,0,1,0,0|0,1,1]=3 235 B7R1.4 BrC1=C(Br)CCC1 OR13703 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.4 CC1CCOC1=O OR55456 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.4 CC1OCCC1=O OR28730 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.4 CN1CCNC1=S OR45131 [0,0,0,1,0,0|2,1,0]=4 239 B7R1.4 NC1CCOC1=O OR5100 [0,0,0,1,0,0|2,0,0]=3 240 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307606 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307607 [0,0,0,1,0,0|1,0,2]=4 242 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307678 [0,0,0,1,0,0|1,0,2]=4 243 B7R1.4 N[C@H]1CCOC1=O OR54538 [0,0,0,1,0,0|2,0,0]=3 244 B7R1.4 O=C1CCC=C1Br OR19566 [0,0,0,1,0,0|1,0,2]=4 245 B7R1.4 O=C1CCCC1Cl OR5230 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.4 O=C1NCCC1O OR40442 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.4 O=C1OCCC1Br OR5280 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.6 ClCCN1CCC1 OR0988 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.6 NCCN1CCC1 OR54542 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.22 COC(=O)[C@H]1CN1 OR313079 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.22 NC(CO)C1CC1 OR451109 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.25 CC1(CN)CCC1 OR317109 [0,0,0,1,0,0|2,0,1]=4 255 B7R1.25 NC1(CO)CCC1 OR317075 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.25 OCC1(O)CCC1 OR54527 [0,0,0,1,0,0|1,0,2]=4 257 B4R0.1 C#CC(C)=O OR7548 [2,0,0,0,0,0|0,0,2]=4 258 B4R0.1 C=C(C)CBr OR17610 [2,0,0,0,0,0|2,0,0]=4 259 B4R0.1 C=C(C)CC OR14507 [2,0,0,0,0,0|1,0,0]=3 260 B4R0.1 C=C(C)CCl OR16423 [2,0,0,0,0,0|2,0,0]=4 261 B4R0.1 C=C(C)CN OR10897 [2,0,0,0,0,0|2,0,0]=4 262 B4R0.1 C=C(C)CN OR59958 [2,0,0,0,0,0|2,0,0]=4 263 B4R0.1 C=C(C)CO OR16426 [2,0,0,0,0,0|2,0,0]=4 264 B4R0.1 C=C(C)OC OR17619 [2,0,0,0,0,0|2,0,0]=4 265 B4R0.1 CC(=O)C=O OR53061 [2,0,0,0,0,0|1,0,1]=4 266 B4R0.1 CC(=O)C=O OR5752 [2,0,0,0,0,0|1,0,1]=4 267 B4R0.1 CC(=O)CO OR17702 [2,0,0,0,0,0|1,0,0]=3 268 B4R0.1 CC(=O)NO OR6375T [2,0,0,0,0,0|2,0,0]=4 269 B4R0.1 CCC(=N)N OR200136 [2,0,0,0,0,0|2,0,0]=4 270 B4R0.1 CCC(=O)[O-] OR70110 [2,0,0,0,0,0|1,0,0]=3 271 B4R0.1 CCC(C)Br OR4335 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.1 CCC(C)Cl OR460003 [2,0,0,0,0,0|1,0,1]=4 273 B4R0.1 CCC(C)I OR5340 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.1 CC[C@@H](C)N OR59999 [2,0,0,0,0,0|1,0,1]=4 275 B4R0.1 CC[C@@H](C)O OR304038 [2,0,0,0,0,0|0,0,2]=4 276 B4R0.1 CC[C@H](C)N OR60000 [2,0,0,0,0,0|1,0,1]=4 277 B4R0.1 CC[C@H](C)O OR4619 [2,0,0,0,0,0|0,0,2]=4 278 B4R0.1 COC(N)=O OR46510 [2,0,0,0,0,0|2,0,0]=4 279 B4R0.1 NC(=O)CBr OR6592 [2,0,0,0,0,0|2,0,0]=4 280 B4R0.1 NC(=O)CCl OR12801 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.1 NC(=O)CI OR59962 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.1 NC(=O)CO OR21888 [2,0,0,0,0,0|2,0,0]=4 283 B4R0.1 NC(=O)CS OR24255 [2,0,0,0,0,0|2,0,0]=4 284 B4R0.1 O=C(Cl)CBr OR54475 [2,0,0,0,0,0|2,0,0]=4 285 B4R0.1 O=C(O)CBr OR6366 [2,0,0,0,0,0|2,0,0]=4 286 B4R0.1 O=C(O)CI OR322006 [2,0,0,0,0,0|2,0,0]=4 287 B4R0.1 O=C(O)CO OR13191 [2,0,0,0,0,0|2,0,0]=4 288 B4R0.1 O=C([O-])CS OR30627 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.2 BrCCCBr OR0972 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.2 C#CCCC OR5512 [2,0,0,0,0,0|0,0,2]=4 291 B4R0.2 C=CCCBr OR8033 [2,0,0,0,0,0|1,0,1]=4 292 B4R0.2 C=CCCC OR5326 [2,0,0,0,0,0|0,0,1]=3 293 B4R0.2 C=CCNC OR3619 [2,0,0,0,0,0|1,0,1]=4 294 B4R0.2 CC=CCCl OR5497 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.2 CC=CCO OR18372 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.2 CCCC#N OR9437 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.2 CCCCBr OR460056 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.2 CCCCI OR3174 [2,0,0,0,0,0|1,0,0]=3 299 B4R0.2 CCOC=O OR28814 [2,0,0,0,0,0|1,0,0]=3 300 B4R0.2 CNCCN OR6516 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.2 COCCBr OR11137 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.2 COCCN OR59868 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.2 CSCCN OR4873 [2,0,0,0,0,0|2,0,0]=4 304 B4R0.2 C\C=C\CCl OR51978 [2,0,0,0,0,0|1,0,1]=4 305 B4R0.2 ClCCCCl OR0973 [2,0,0,0,0,0|2,0,0]=4 306 B4R0.2 ClCCCI OR2939 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.2 ICCCI OR4510 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.2 NCCCBr OR322151 [2,0,0,0,0,0|2,0,0]=4 309 B4R0.2 OCCCBr OR0978 [2,0,0,0,0,0|2,0,0]=4 310 B4R0.2 OCCCCl OR0977 [2,0,0,0,0,0|2,0,0]=4 311 B6R0.2 CC(=O)C=C(C)N OR1506 [1,1,0,0,0,0|0,0,2]=4 312 B6R0.2 CC(=O)CC(C)=O OR16430 [1,1,0,0,0,0|0,0,1]=3 313 B6R0.2 CC(=O)CC(C)C OR61047 [1,1,0,0,0,0|0,0,0]=2 314 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [1,1,0,0,0,0|0,0,2]=4 315 B6R0.2 CC(C)CC(=O)O OR2260 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.2 CC(C)CC(N)=O OR22499 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [1,1,0,0,0,0|2,0,0]=4 318 B6R0.2 CC(O)CC(C)O OR10041 [1,1,0,0,0,0|0,0,2]=4 319 B6R0.2 CN(C)CC(=O)O OR45130 [1,1,0,0,0,0|2,0,0]=4 320 B6R0.3 CC(=O)C(=O)CBr OR46042 [1,1,0,0,0,0|1,0,1]=4 321 B6R0.3 CC=C(C)C(C)=O OR0641 [1,1,0,0,0,0|0,0,2]=4 322 B6R0.3 CCC(N)C(=O)O OR9986 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.3 CC[C@H](C)C(=O)O OR315294 [1,1,0,0,0,0|1,0,0]=3 325 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [1,1,0,0,0,0|1,0,0]=3 326 B6R0.3 CC[C@H](N)C(=O)O OR01636 [1,1,0,0,0,0|1,0,0]=3 327 B6R0.3 CC[C@H](N)C(N)=O OR46608 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.3 CNC(C)C(=O)O OR930477 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [1,1,0,0,0,0|2,0,0]=4 330 B6R0.3 CON(C)C(C)=O OR46610 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.3 NCC(N)C(=O)O OR42215 [1,1,0,0,0,0|2,0,0]=4 332 B6R0.3 NCC(N)C(=O)O OR5494 [1,1,0,0,0,0|2,0,0]=4 333 B6R0.3 NCC(O)C(=O)O OR322969 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [1,1,0,0,0,0|2,0,0]=4 335 B6R0.3 O=C(O)C(Br)CBr OR4887 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.4 C#CCCC(=O)O OR5526 [1,1,0,0,0,0|1,0,1]=4 337 B6R0.4 CC(=O)CCCCl OR10086 [1,1,0,0,0,0|0,0,0]=2 338 B6R0.4 CC(=O)NCCCl OR55006 [1,1,0,0,0,0|1,0,0]=3 339 B6R0.4 CC(=O)SCC#N OR24381 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.4 CC(C)=CCCBr OR3008 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.4 CCC#CC(=O)O OR70066 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.4 CCC=CC(=O)O OR6566 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.4 CCCCC(C)=O OR10020 [1,1,0,0,0,0|0,0,0]=2 344 B6R0.4 CCCC[C@H](C)O OR304042 [1,1,0,0,0,0|0,0,2]=4 345 B6R0.4 CCCOC(C)=O OR5312 [1,1,0,0,0,0|0,0,0]=2 346 B6R0.4 CCOCC(=O)O OR6531 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.4 CN(C)CCCCl OR0910 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.4 CN(C)CCCN OR54483 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.4 CNCCC(=O)O OR301194 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.4 CNCCC(N)=O OR17506 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.4 CO\C=C\C(C)=O OR52529 [1,1,0,0,0,0|0,0,2]=4 352 B6R0.4 NC(=O)NCCO OR17003 [1,1,0,0,0,0|2,0,0]=4 353 B6R0.4 NCCCC(=O)O OR01972 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.4 O=C(Cl)CCCCl OR5355 [1,1,0,0,0,0|1,0,0]=3 355 B6R0.4 O=C(O)CCCBr OR4284 [1,1,0,0,0,0|1,0,0]=3 356 B6R0.5 CCCC(C)(C)N OR30986 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.5 CCCS(=O)(=O)Cl OR19492 [1,1,0,0,0,0|2,0,0]=4 358 B6R0.5 CCCS(N)(=O)=O OR11393 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.5 CS(=O)(=O)CCBr OR929569 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.5 CS(=O)(=O)CCN OR12674 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.5 CSCS(C)(=O)=O OR26323 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.6 BrCCOCCBr OR42237 [1,1,0,0,0,0|2,0,0]=4 363 B6R0.6 C#CCCCCC OR5511 [1,1,0,0,0,0|0,0,2]=4 364 B6R0.6 C=CCCCCC OR01828 [1,1,0,0,0,0|0,0,2]=4 365 B6R0.6 CCCCCC=O OR6051 [1,1,0,0,0,0|0,0,2]=4 366 B6R0.6 CCCCCCCl OR52582 [1,1,0,0,0,0|0,0,1]=3 367 B6R0.6 CCCCCCI OR2177 [1,1,0,0,0,0|0,0,1]=3 368 B6R0.6 CCCCCCN OR5310 [1,1,0,0,0,0|0,0,1]=3 369 B6R0.6 CCCCCCS OR40389 [1,1,0,0,0,0|0,0,1]=3 370 B6R0.6 CCCCCNC OR60037 [1,1,0,0,0,0|0,0,1]=3 371 B6R0.6 CCCNCCC OR19539 [1,1,0,0,0,0|0,0,1]=3 372 B6R0.6 CCC\C=C\C=O OR6052 [1,1,0,0,0,0|0,0,2]=4 373 B6R0.6 CCOCOCC OR51849 [1,1,0,0,0,0|1,0,0]=3 374 B6R0.6 COCCOCCl OR4841 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.6 ClCCCCCBr OR24918 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.6 ClCCCCCI OR2936 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.6 ClCCNCCCl OR27981 [1,1,0,0,0,0|2,0,0]=4 378 B6R0.6 ICCOCCI OR18271 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.6 NCCCCCN OR59990 [1,1,0,0,0,0|1,0,1]=4 380 B6R0.6 NCCCCCO OR10081 [1,1,0,0,0,0|1,0,1]=4 381 B6R0.6 NCCCCCO OR51934 [1,1,0,0,0,0|1,0,1]=4 382 B6R0.6 NCCCCCO OR55441 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.6 NCCSCCO OR28868 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.6 OCCCCCCl OR6509 [1,1,0,0,0,0|1,0,1]=4 385 B6R0.6 OCCNCCO OR40730 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.6 OCCOCCO OR59808 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.9 CCB(CC)CC OR52281 [1,1,0,0,0,0|2,0,0]=4 388 B6R0.9 CCC(CC)=NO OR30404 [1,1,0,0,0,0|0,0,1]=3 389 B6R0.9 CCC(CC)CBr OR59423 [1,1,0,0,0,0|1,0,1]=4 390 B6R0.9 CCC(CC)CN OR2434 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.9 CCC(CC)NN OR55003 [1,1,0,0,0,0|1,0,1]=4 392 B6R0.9 CCN(CC)CC OR61241 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.9 CCN(CC)CC OR9284 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.9 CC[SiH](CC)CC OR46515 [1,1,0,0,0,0|1,1,0]=4 395 B8R0.5 CC(C)OC(=O)CC#N OR28722 [0,2,0,0,0,0|1,0,1]=4 396 B8R0.5 CCOC(=O)C=C(C)C OR54610 [0,2,0,0,0,0|0,0,2]=4 397 B8R0.5 CCOC(=O)CC(=O)Cl OR5235 [0,2,0,0,0,0|1,0,1]=4 398 B8R0.5 CCOC(=O)CC(=O)O OR54513 [0,2,0,0,0,0|1,0,1]=4 399 B8R0.5 CCOC(=O)CC(=O)[O-] OR16162 [0,2,0,0,0,0|1,0,1]=4 400 B8R0.5 CCOC(=O)CC(N)=O OR59898 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.5 CCOC(=O)C[C@H](C)O OR304080 [0,2,0,0,0,0|0,0,0]=2 402 B8R0.5 CCOC(=O)C[N+](=O)[O-] OR8354 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.5 CCOC(=O)C[S+](C)C OR5509 [0,2,0,0,0,0|1,0,0]=3 404 B8R0.19 CCC(=O)CC(=O)OC OR5113 [0,2,0,0,0,0|0,0,1]=3 405 B8R0.19 CCC(=O)OC(=O)CC OR5320 [0,2,0,0,0,0|0,0,1]=3 406 B8R0.19 CCC(C)NC(C)CC OR19542 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.19 COC(=O)CC(=O)CCl OR4924 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.19 COC(=O)CC(=O)OC OR2832 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.23 CC(C)OC(=O)[C@@H](C)N OR52564 [0,2,0,0,0,0|1,0,0]=3 410 B8R0.23 CC(C)OC(=O)[C@H](C)N OR61429 [0,2,0,0,0,0|1,0,0]=3 411 B8R0.24 CC(C)(C)NC(=O)CCl OR25511 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.24 CC(C)(C)OC(=O)CBr OR1584 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.24 CC(C)(C)OC(=O)CN OR315773 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.24 CC(C)(C)OC(=O)CN OR61270 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.24 CC(C)(C)OC(=O)CO OR932881 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.24 CNC(=O)OC(C)(C)C OR61100 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.1 CCOC(=O)CCCBr OR14983 [0,2,0,0,0,0|0,0,0]=2 418 B8R0.1 CCOC(=O)CN=C=O OR30501 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.1 CC\C=C\C(=O)OCC OR16435 [0,2,0,0,0,0|0,0,1]=3 420 B8R0.3 C=C(CBr)C(=O)OCC OR17520 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.3 CCOC(=O)C(=O)CBr OR015293 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.3 CCOC(=O)C(Br)CC OR15008 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.3 CCOC(=O)C(Cl)C=O OR300519 [0,2,0,0,0,0|1,0,1]=4 424 B8R0.3 CCOC(=O)C(N)CO OR26790 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.3 CCOC(=O)C(O)CC OR937766 [0,2,0,0,0,0|0,0,0]=2 426 B8R0.3 CCOC(=O)[C@@H](N)CS OR26791 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.3 COCC(=O)N(C)OC OR52620 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.3 COCC(Br)C(=O)OC OR3386 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.6 CCCCCC(=O)CC OR6025 [0,2,0,0,0,0|0,0,0]=2 430 B8R0.6 CCCCOC(=O)CCl OR25298 [0,2,0,0,0,0|1,0,0]=3 431 B8R0.6 CCNCCC(=O)OC OR927277 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.6 COC(=O)CCCCBr OR8928 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.6 COC(=O)CCCCN OR944993 [0,2,0,0,0,0|1,0,0]=3 434 B8R0.6 COCCCC(=O)OC OR30755 [0,2,0,0,0,0|1,0,0]=3 435 B8R0.8 C=C(C)C(=O)NCCO OR17009 [0,2,0,0,0,0|1,0,1]=4 436 B8R0.8 C=C(C)C(=O)OCCN OR61529 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.9 CCC(C)CCC(C)C OR52417 [0,2,0,0,0,0|1,0,1]=4 438 B8R0.9 COC(=O)\C=C\C(C)C OR6465 [0,2,0,0,0,0|1,0,1]=4 439 B8R0.9 NCC(=O)CCC(=O)O OR1490 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.11 CCCCC(CC)CBr OR460077 [0,2,0,0,0,0|1,0,1]=4 441 B8R0.11 CCN(CC)CCCCl OR0983 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.11 CCN(CC)CCCCl OR315510 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.14 CC(C)(C)C(=O)CC#N OR23696 [0,2,0,0,0,0|1,0,1]=4 444 B8R0.14 CCOC(=O)C(C)(C)O OR46219 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.30 CCCC(C)(S)CCO OR70181 [0,2,0,0,0,0|0,1,1]=4 446 B8R0.30 O=S(=O)(CCS)CCS OR8251T [0,2,0,0,0,0|2,0,0]=4 447 B8R0.13 COC(=O)C(C)(C)CO OR42223 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.20 COC(=O)C(CBr)CBr OR19510 [0,2,0,0,0,0|2,0,0]=4 449 B6R1.2 BrC1=CCCC1 OR59361 [1,0,0,1,0,0|1,0,1]=4 450 B6R1.2 BrC1CCCC1 OR10098 [1,0,0,1,0,0|1,0,1]=4 451 B6R1.2 CC1=NCCO1 OR52090 [1,0,0,1,0,0|1,0,1]=4 452 B6R1.2 CC1CCCN1 OR30527 [1,0,0,1,0,0|1,0,1]=4 453 B6R1.2 CC1CCCO1 OR42160 [1,0,0,1,0,0|0,0,2]=4 454 B6R1.2 C[C@@H]1CCCN1 OR15684 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.2 C[C@@H]1CCCN1 OR18417 [1,0,0,1,0,0|1,0,1]=4 456 B6R1.2 C[C@@H]1CCCN1 OR4617 [1,0,0,1,0,0|1,0,1]=4 457 B6R1.2 C[C@H]1CCCN1 OR460046 [1,0,0,1,0,0|1,0,1]=4 458 B6R1.2 C[C@H]1CCCN1 OR4618 [1,0,0,1,0,0|1,0,1]=4 459 B6R1.2 ClC1CCCC1 OR10099 [1,0,0,1,0,0|1,0,1]=4 460 B6R1.2 NC1CCCC1 OR10097 [1,0,0,1,0,0|1,0,1]=4 461 B6R1.2 O=C1C=CCC1 OR9084 [1,0,0,1,0,0|0,0,2]=4 462 B6R1.2 O=C1CC=CC1 OR313063 [1,0,0,1,0,0|0,0,2]=4 463 B6R1.2 O=C1CCCC1 OR10095 [1,0,0,1,0,0|0,0,0]=2 464 B6R1.2 O=C1CCNC1 OR301124 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.2 O=C1CCNC1 OR61343 [1,0,0,1,0,0|1,0,0]=3 466 B6R1.2 O=C1CCOC1 OR30821 [1,0,0,1,0,0|1,0,0]=3 467 B6R1.2 O=C1CCSC1 OR5506 [1,0,0,1,0,0|1,0,0]=3 468 B6R1.2 OC1CCCC1 OR10094 [1,0,0,1,0,0|0,0,2]=4 469 B6R1.2 S=C1CCCN1 OR22113 [1,0,0,1,0,0|1,1,0]=4 470 B6R1.5 NC1CC(=O)C1 OR308095 [1,0,0,1,0,0|1,0,0]=3 471 B6R1.10 C[Si]1(C)CCC1 OR52271 [1,0,0,1,0,0|1,1,0]=4 472 B6R1.11 CC(=O)C1CC1 OR10100 [1,0,0,1,0,0|0,0,0]=2 473 B6R1.11 CC(=O)C1CO1 OR01831 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.11 CC(N)C1CC1 OR7051 [1,0,0,1,0,0|1,0,1]=4 475 B6R1.11 CC(O)C1CC1 OR54516 [1,0,0,1,0,0|0,0,2]=4 476 B6R1.11 N=C(N)C1CC1 OR27201 [1,0,0,1,0,0|2,0,0]=4 477 B6R1.11 NC(=O)C1CC1 OR18286 [1,0,0,1,0,0|1,0,0]=3 478 B6R1.11 O=C(Cl)C1CC1 OR17255 [1,0,0,1,0,0|1,0,0]=3 479 B6R1.11 O=C(O)C1CC1 OR5295 [1,0,0,1,0,0|1,0,0]=3 480 B6R1.1 C1=CCNCC1 OR9035 [1,0,0,1,0,0|1,0,1]=4 481 B6R1.1 C1=COCCC1 OR183406 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.1 C1CCNCC1 OR13634 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.1 C1CNCCN1 OR13160 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.1 C1COCCN1 OR13977 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.1 C1COCCO1 OR61424 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.1 C1CSCCN1 OR6523 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.1 C1CSCSC1 OR51910 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.6 BrCC1CCC1 OR451132 [1,0,0,1,0,0|1,0,1]=4 489 B6R1.6 BrCC1CCO1 OR309080 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.6 NCC1CCC1 OR308087 [1,0,0,1,0,0|1,0,1]=4 491 B6R1.6 NCC1CCC1 OR312056 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.6 NCC1CCO1 OR61268 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.6 OCC1CCC1 OR61204 [1,0,0,1,0,0|1,0,1]=4 494 B6R1.6 OCC1CCN1 OR309020 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.6 OC[C@H]1CCN1 OR317202 [1,0,0,1,0,0|2,0,0]=4 496 B8R1.1 C=CC1CCC(=O)N1 OR307048 [0,1,0,1,0,0|0,0,2]=4 497 B8R1.1 CCC1OCC(C)O1 OR60175 [0,1,0,1,0,0|0,0,2]=4 498 B8R1.1 NCC1CCC(=O)N1 OR953484 [0,1,0,1,0,0|1,0,0]=3 499 B8R1.1 O=C1CC(CO)CN1 OR300508 [0,1,0,1,0,0|1,0,0]=3 500 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [0,1,0,1,0,0|1,0,0]=3 501 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.4 CC1CC(=O)CCO1 OR54543 [0,1,0,1,0,0|0,0,0]=2 504 B8R1.4 CC1CCCC(C)N1 OR13600 [0,1,0,1,0,0|1,0,1]=4 505 B8R1.4 CC1CNCC(C)C1 OR13613 [0,1,0,1,0,0|1,0,1]=4 506 B8R1.4 CN1CCCC(=O)C1 OR55488 [0,1,0,1,0,0|0,0,0]=2 507 B8R1.4 CN1CCCC(=O)C1 OR55582 [0,1,0,1,0,0|0,0,0]=2 508 B8R1.4 CN1CCCC(N)C1 OR0801 [0,1,0,1,0,0|1,0,1]=4 509 B8R1.4 CN1CCCC(O)C1 OR6933 [0,1,0,1,0,0|0,0,2]=4 510 B8R1.4 NC1=CC(=O)CCC1 OR4645 [0,1,0,1,0,0|0,0,2]=4 511 B8R1.4 NC1CCCC(O)C1 OR301031 [0,1,0,1,0,0|0,0,2]=4 512 B8R1.4 O=C1CCCC(=O)C1 OR28703 [0,1,0,1,0,0|0,0,1]=3 513 B8R1.4 O=C1CCNC(=O)C1 OR48245 [0,1,0,1,0,0|1,0,1]=4 514 B8R1.4 OC1CCCC(O)C1 OR17557 [0,1,0,1,0,0|0,0,2]=4 515 B8R1.18 CC1=NN(C)C(=O)C1 OR26105 [0,1,0,1,0,0|1,0,1]=4 516 B8R1.40 O=C(CCl)NC1CC1 OR21284 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.51 CC1(C)CNC(=O)C1 OR315573 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.51 CC1(O)CNC(=O)C1 OR21816 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.51 NC1CCS(=O)(=O)C1 OR28153 [0,1,0,1,0,0|2,0,0]=4 521 B8R1.51 O=S1(=O)CCC(O)C1 OR28311 [0,1,0,1,0,0|2,0,0]=4 522 B8R1.2 C#CC1=CCCCC1 OR13588 [0,1,0,1,0,0|1,0,1]=4 523 B8R1.2 C=CC1CCCCC1 OR11249 [0,1,0,1,0,0|1,0,1]=4 524 B8R1.2 CCC1CCCNC1 OR53185 [0,1,0,1,0,0|1,0,1]=4 525 B8R1.2 CCC1CNCCN1 OR16023 [0,1,0,1,0,0|1,0,1]=4 526 B8R1.2 CCC1COCCN1 OR308179 [0,1,0,1,0,0|1,0,1]=4 527 B8R1.2 CCN1CCNCC1 OR5141 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.2 CC[C@@H]1CCCCN1 OR321328 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.2 CC[C@H]1CCCCN1 OR321204 [0,1,0,1,0,0|1,0,1]=4 530 B8R1.2 CC[C@H]1COCCN1 OR61132 [0,1,0,1,0,0|1,0,1]=4 531 B8R1.2 CNC1CCCCC1 OR8357 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.2 CSC1=NCCCN1 OR23426 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.2 CSC1=NCCCS1 OR2828 [0,1,0,1,0,0|1,1,0]=4 534 B8R1.2 Cl[Mg]C1CCCCC1 OR320011 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.2 N#CC1CCCCC1 OR27707 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.2 NCC1CCCCC1 OR5167 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.2 NNC1CCCCC1 OR5641 [0,1,0,1,0,0|1,0,1]=4 538 B8R1.2 O=CC1=COCCC1 OR3126 [0,1,0,1,0,0|1,0,1]=4 539 B8R1.2 O=CC1CCCCC1 OR0996 [0,1,0,1,0,0|0,0,1]=3 540 B8R1.2 O=CC1CCCOC1 OR70049 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.2 O=CC1CCNCC1 OR2970 [0,1,0,1,0,0|1,0,1]=4 542 B8R1.2 O=CC1CCOCC1 OR9347 [0,1,0,1,0,0|1,0,1]=4 543 B8R1.2 O=CC1CCSCC1 OR14931 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.2 O=CN1CCCCC1 OR5448 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.2 O=CN1CCNCC1 OR5121 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.3 CC1=NNC(=O)CC1 OR21385 [0,1,0,1,0,0|1,0,1]=4 547 B8R1.3 CC1CCC(=O)CC1 OR5041 [0,1,0,1,0,0|0,0,0]=2 548 B8R1.3 CC1CCC(Br)CC1 OR322145 [0,1,0,1,0,0|1,0,1]=4 549 B8R1.3 CN1CCC(=O)CC1 OR0648 [0,1,0,1,0,0|0,0,0]=2 550 B8R1.3 CN1CCC(Cl)CC1 OR6934 [0,1,0,1,0,0|1,0,1]=4 551 B8R1.3 CN1CCC(Cl)CC1 OR8801 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.3 CN1CCC(N)CC1 OR6512 [0,1,0,1,0,0|1,0,1]=4 553 B8R1.3 CN1CCC(O)CC1 OR6932 [0,1,0,1,0,0|0,0,2]=4 554 B8R1.3 CN1CCN(C)CC1 OR5144 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.3 C[C@H]1CC[C@H](N)CC1 OR59320 [0,1,0,1,0,0|1,0,1]=4 556 B8R1.3 NC1CCC(=O)CC1 OR301000 [0,1,0,1,0,0|0,0,0]=2 557 B8R1.3 NC1CCC(=O)CC1 OR51872 [0,1,0,1,0,0|0,0,0]=2 558 B8R1.3 N[C@H]1CC[C@@H](O)CC1 OR51931 [0,1,0,1,0,0|0,0,2]=4 559 B8R1.3 N[C@H]1CC[C@H](N)CC1 OR5492 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.3 N[C@H]1CC[C@H](O)CC1 OR10070 [0,1,0,1,0,0|0,0,2]=4 561 B8R1.3 N[C@H]1CC[C@H](O)CC1 OR5631 [0,1,0,1,0,0|0,0,2]=4 562 B8R1.3 O=C1CCC(=O)CC1 OR5044 [0,1,0,1,0,0|0,0,1]=3 563 B8R1.3 O=C1CCC(=O)NC1 OR305436 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.3 O=C1CCC(O)CC1 OR60149 [0,1,0,1,0,0|0,0,0]=2 565 B8R1.3 O=C1CCC(O)CN1 OR313048 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.3 OC1CCC(O)CC1 OR22315 [0,1,0,1,0,0|0,0,2]=4 567 B8R1.5 CC1=NCCCN1C OR13592 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.5 CC1CCCCC1O OR10028 [0,1,0,1,0,0|0,0,2]=4 569 B8R1.5 CC1CCCNC1=O OR22899 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.5 CN1CCNCC1=O OR301209 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.5 NC1CCCCC1O OR21260 [0,1,0,1,0,0|0,0,2]=4 572 B8R1.5 N[C@@H]1CCCC[C@@H]1O OR307602 [0,1,0,1,0,0|0,0,2]=4 573 B8R1.5 N[C@@H]1CCCC[C@H]1N OR307156 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.5 N[C@@H]1CCCC[C@H]1O OR307600 [0,1,0,1,0,0|0,0,2]=4 575 B8R1.5 N[C@@H]1CCCC[C@H]1O OR307601 [0,1,0,1,0,0|0,0,2]=4 576 B8R1.5 N[C@H]1CCCC[C@@H]1N OR307157 [0,1,0,1,0,0|1,0,1]=4 577 B8R1.5 N[C@H]1CCCC[C@@H]1N OR315007 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.5 N[C@H]1CCCC[C@@H]1O OR70141 [0,1,0,1,0,0|0,0,2]=4 579 B8R1.5 N[C@H]1CCCC[C@H]1O OR350531 [0,1,0,1,0,0|0,0,2]=4 580 B8R1.5 O=C1CCCCC1=O OR0317 [0,1,0,1,0,0|0,0,1]=3 581 B8R1.5 O[C@@H]1CCCC[C@H]1O OR8451T [0,1,0,1,0,0|0,0,2]=4 582 B8R1.5 O[C@H]1CCCC[C@H]1O OR51977 [0,1,0,1,0,0|0,0,2]=4 583 B8R1.22 BrC1=CCCCCC1 OR59406 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.22 C=C1OCCCCO1 OR200162 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.22 CN1CCCNCC1 OR5154 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.22 O=C1CCCCCC1 OR6556 [0,1,0,1,0,0|0,0,0]=2 587 B8R1.22 O=C1CCCCCN1 OR42190 [0,1,0,1,0,0|0,0,0]=2 588 B8R1.22 O=C1CCCNCC1 OR4647 [0,1,0,1,0,0|0,0,0]=2 589 B8R1.22 O=C1CCNCCN1 OR2299 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.22 O=C1CCNCCN1 OR9118 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.22 OC1CCCCCC1 OR10091 [0,1,0,1,0,0|0,0,2]=4 592 B8R1.38 COC(=O)C1CCN1 OR317227 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.38 COC(=O)C1CNC1 OR308020 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.38 O=C(CBr)N1CCC1 OR460014 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.50 CC1=C(C)C(=O)NC1 OR21805 [0,1,0,1,0,0|0,0,2]=4 596 B8R1.50 CC1=NNC(=O)C1C OR26970 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.50 CC1C(=O)CCC1=O OR0612 [0,1,0,1,0,0|0,0,1]=3 598 B8R1.50 CC1CCC(=O)C1=O OR28640 [0,1,0,1,0,0|0,0,1]=3 599 B8R1.50 CC1CCN(C)C1=O OR11733 [0,1,0,1,0,0|1,0,0]=3 600 B8R1.50 CN1CCN(C)C1=O OR10114 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.50 O=C1OC[C@@H](O)[C@H]1O OR55152 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.7 CC(C)C1CCCN1 OR12519 [0,1,0,1,0,0|1,0,1]=4 603 B8R1.19 CC1(C)CONC1=O OR310131 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.37 CCOC(=O)C1CC1 OR5300 [0,1,0,1,0,0|0,0,0]=2 605 B8R1.8 COC[C@@H]1CCCN1 OR4615 [0,1,0,1,0,0|1,0,1]=4 606 B8R1.8 COC[C@H]1CCCN1 OR4616 [0,1,0,1,0,0|1,0,1]=4 607 B8R1.8 ClCCN1CCCC1 OR0992 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.8 NCCN1CCCC1 OR19557 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.11 CN1CCC[C@H]1CO OR14515 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.11 N#CC1CCCC1=O OR7124 [0,1,0,1,0,0|0,0,1]=3 611 B8R1.39 COC(=O)C1(N)CC1 OR0360T [0,1,0,1,0,0|1,0,0]=3 612 B8R1.72 O=S1(=O)CCCCN1 OR10390 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.72 O=S1(=O)CCNCC1 OR13966 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.72 O=S1(=O)CCNCC1 OR61518 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.72 O=S1(=O)CCOCC1 OR24045 [0,1,0,1,0,0|2,0,0]=4 616 B8R2.55 C1CNC2(C1)CC2 OR312254 [0,0,0,2,0,0|1,0,1]=4 617 B8R2.38 O=C1CCC2CC12 OR70212 [0,0,0,2,0,0|0,0,0]=2 618 B8R2.25 C1CCC2OC2C1 OR40521 [0,0,0,2,0,0|0,0,2]=4