0 B6R1.2 BrC1=CC=CO1 OR23025 [0,0,0,0,0,0|1,0,3]=4 1 B6R1.2 BrC1=CCCC1 OR59361 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 BrC1=CN=CO1 OR311178 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 BrC1=CN=CO1 OR53068 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 BrC1CCCC1 OR10098 [0,0,0,0,0,0|2,0,1]=3 5 B6R1.2 CC1=CC=NO1 OR15750 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 CC1=NCCO1 OR52090 [0,0,0,0,0,0|2,0,0]=2 7 B6R1.2 CC1CCCN1 OR30527 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 CC1CCCO1 OR42160 [0,0,0,0,0,0|1,0,1]=2 9 B6R1.2 CC1CCNC1 OR313066 [0,0,0,0,0,0|3,0,1]=4 10 B6R1.2 C[C@@H]1CCCN1 OR15684 [0,0,0,0,0,0|2,0,1]=3 11 B6R1.2 C[C@@H]1CCCN1 OR18417 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 C[C@@H]1CCCN1 OR4617 [0,0,0,0,0,0|2,0,1]=3 13 B6R1.2 C[C@H]1CCCN1 OR460046 [0,0,0,0,0,0|2,0,1]=3 14 B6R1.2 C[C@H]1CCCN1 OR4618 [0,0,0,0,0,0|2,0,1]=3 15 B6R1.2 C[C@H]1CCNC1 OR313067 [0,0,0,0,0,0|3,0,1]=4 16 B6R1.2 ClC1CCCC1 OR10099 [0,0,0,0,0,0|2,0,1]=3 17 B6R1.2 IC1CCOC1 OR52585 [0,0,0,0,0,0|3,0,1]=4 18 B6R1.2 I[C@@H]1CCOC1 OR52586 [0,0,0,0,0,0|3,0,1]=4 19 B6R1.2 NC1=CC=NO1 OR300646 [0,0,0,0,0,0|2,0,2]=4 20 B6R1.2 NC1=NC=CO1 OR3721 [0,0,0,0,0,0|2,0,2]=4 21 B6R1.2 NC1=NCCS1 OR3199 [0,0,0,0,0,0|2,1,0]=3 22 B6R1.2 NC1=NN=CO1 OR54600 [0,0,0,0,0,0|3,0,1]=4 23 B6R1.2 NC1CCCC1 OR10097 [0,0,0,0,0,0|2,0,1]=3 24 B6R1.2 NC1CCNC1 OR52187 [0,0,0,0,0,0|3,0,1]=4 25 B6R1.2 NC1CCOC1 OR301034 [0,0,0,0,0,0|3,0,1]=4 26 B6R1.2 NC1CCOC1 OR40690 [0,0,0,0,0,0|3,0,1]=4 27 B6R1.2 N[C@@H]1CCOC1 OR322597 [0,0,0,0,0,0|3,0,1]=4 28 B6R1.2 N[C@@H]1CCOC1 OR4604 [0,0,0,0,0,0|3,0,1]=4 29 B6R1.2 N[C@H]1CCOC1 OR322596 [0,0,0,0,0,0|3,0,1]=4 30 B6R1.2 O=C1C=CCC1 OR9084 [0,0,0,0,0,0|1,0,1]=2 31 B6R1.2 O=C1C=CCO1 OR2878 [0,0,0,0,0,0|0,0,2]=2 32 B6R1.2 O=C1C=CSN1 OR40800 [0,0,0,0,0,0|2,0,2]=4 33 B6R1.2 O=C1CC=CC1 OR313063 [0,0,0,0,0,0|1,0,2]=3 34 B6R1.2 O=C1CCCC1 OR10095 [0,0,0,0,0,0|1,0,0]=1 35 B6R1.2 O=C1CCNC1 OR301124 [0,0,0,0,0,0|2,0,0]=2 36 B6R1.2 O=C1CCNC1 OR61343 [0,0,0,0,0,0|2,0,0]=2 37 B6R1.2 O=C1CCOC1 OR30821 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 O=C1CCSC1 OR5506 [0,0,0,0,0,0|2,0,0]=2 39 B6R1.2 O=C1N=CNN1 OR350126 [0,0,0,0,0,0|3,0,1]=4 40 B6R1.2 O=C1NC=CN1 OR323247 [0,0,0,0,0,0|2,0,2]=4 41 B6R1.2 OC1CCCC1 OR10094 [0,0,0,0,0,0|1,0,2]=3 42 B6R1.2 OC1CCNC1 OR9068 [0,0,0,0,0,0|2,0,2]=4 43 B6R1.2 O[C@@H]1CCNC1 OR15681 [0,0,0,0,0,0|2,0,2]=4 44 B6R1.2 O[C@@H]1CCNC1 OR4628 [0,0,0,0,0,0|2,0,2]=4 45 B6R1.2 O[C@@H]1CCOC1 OR4601 [0,0,0,0,0,0|2,0,2]=4 46 B6R1.2 O[C@H]1CCNC1 OR15682 [0,0,0,0,0,0|2,0,2]=4 47 B6R1.2 O[C@H]1CCNC1 OR4627 [0,0,0,0,0,0|2,0,2]=4 48 B6R1.2 O[C@H]1CCOC1 OR4603 [0,0,0,0,0,0|2,0,2]=4 49 B6R1.2 S=C1CCCN1 OR22113 [0,0,0,0,0,0|1,1,0]=2 50 B6R1.2 S=C1NCCO1 OR28382 [0,0,0,0,0,0|1,1,0]=2 51 B5R1.1 C1=CCCC1 OR10096 [1,0,0,0,0,0|1,0,0]=2 52 B5R1.1 C1=CCNC1 OR2396 [1,0,0,0,0,0|2,0,0]=3 53 B5R1.1 C1=CCOC1 OR5462 [1,0,0,0,0,0|2,0,0]=3 54 B5R1.1 C1=COC=N1 OR14992 [1,0,0,0,0,0|1,0,2]=4 55 B5R1.1 C1=COCC1 OR2896 [1,0,0,0,0,0|0,0,1]=2 56 B5R1.1 C1=CON=C1 OR2580 [1,0,0,0,0,0|1,0,2]=4 57 B5R1.1 C1=NCCO1 OR305316 [1,0,0,0,0,0|1,0,0]=2 58 B5R1.1 C1CCCC1 OR61603 [1,0,0,0,0,0|1,0,1]=3 59 B5R1.1 C1CCNC1 OR0971 [1,0,0,0,0,0|1,0,1]=3 60 B5R1.1 C1CCOC1 OR30761S [1,0,0,0,0,0|0,0,1]=2 61 B5R1.1 C1CNOC1 OR55263 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.1 BrCC1CCCC1 OR18584 [0,1,0,0,0,0|2,0,1]=4 63 B7R1.1 BrCC1CCCO1 OR23265 [0,1,0,0,0,0|1,0,1]=3 64 B7R1.1 BrCC1OCCO1 OR54338 [0,1,0,0,0,0|2,0,1]=4 65 B7R1.1 COC1CCCC1 OR55202 [0,1,0,0,0,0|1,0,2]=4 66 B7R1.1 ClCC1=NCCN1 OR7709 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.1 ICC1CCCC1 OR16976 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.1 N#CC1CCCN1 OR2812 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.1 N#CN1CCCC1 OR28605 [0,1,0,0,0,0|3,0,0]=4 70 B7R1.1 N#C[C@@H]1CCCN1 OR55254 [0,1,0,0,0,0|2,0,1]=4 71 B7R1.1 N#C[C@H]1CCCN1 OR55256 [0,1,0,0,0,0|2,0,1]=4 72 B7R1.1 NCC1CCCO1 OR10076 [0,1,0,0,0,0|1,0,1]=3 73 B7R1.1 NC[C@H]1CCCN1 OR307046 [0,1,0,0,0,0|2,0,1]=4 74 B7R1.1 NN=C1NCCN1 OR24092 [0,1,0,0,0,0|3,0,0]=4 75 B7R1.1 NNC1=NCCN1 OR24108 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.1 NNC1=NCCN1 OR51941 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.1 NNC1CCCC1 OR5640 [0,1,0,0,0,0|2,0,1]=4 78 B7R1.1 O=CC1=CC=CO1 OR23023 [0,1,0,0,0,0|0,0,3]=4 79 B7R1.1 O=CC1=CC=NO1 OR1858 [0,1,0,0,0,0|1,0,2]=4 80 B7R1.1 O=CC1=CN=CO1 OR52173 [0,1,0,0,0,0|1,0,2]=4 81 B7R1.1 O=CC1=NC=CO1 OR14993 [0,1,0,0,0,0|1,0,2]=4 82 B7R1.1 O=CC1CCCC1 OR16978 [0,1,0,0,0,0|1,0,1]=3 83 B7R1.1 OCC1CCCC1 OR46003 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.1 OCC1CCCN1 OR13968 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.1 OC[C@@H]1CCCN1 OR5872 [0,1,0,0,0,0|1,0,2]=4 86 B7R1.1 OC[C@@H]1CCCO1 OR40670 [0,1,0,0,0,0|0,0,2]=3 87 B7R1.1 OC[C@H]1CCCN1 OR14514 [0,1,0,0,0,0|1,0,2]=4 88 B7R1.1 OC[C@H]1CCCO1 OR307767 [0,1,0,0,0,0|0,0,2]=3 89 B7R1.2 CC1=CC(=O)CC1 OR17891 [0,1,0,0,0,0|1,0,1]=3 90 B7R1.2 CC1CCC(C)N1 OR014993 [0,1,0,0,0,0|2,0,1]=4 91 B7R1.2 CC1CCC(C)N1 OR2880 [0,1,0,0,0,0|2,0,1]=4 92 B7R1.2 CN1CCC(O)C1 OR5467 [0,1,0,0,0,0|3,0,0]=4 93 B7R1.2 CN1CC[C@@H](N)C1 OR308141 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.2 CN1CC[C@@H](O)C1 OR4626 [0,1,0,0,0,0|3,0,0]=4 95 B7R1.2 CN1CC[C@H](N)C1 OR308140 [0,1,0,0,0,0|3,0,0]=4 96 B7R1.2 C[C@@H]1COC(=O)O1 OR13704 [0,1,0,0,0,0|1,0,0]=2 97 B7R1.2 NC1=NC(=O)CS1 OR27571 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.2 NC1=NC(=O)CS1 OR27978 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.2 N[C@H]1CC[C@@H](O)C1 OR61072 [0,1,0,0,0,0|1,0,2]=4 100 B7R1.2 O=C1C=CC(=O)O1 OR61510 [0,1,0,0,0,0|0,0,3]=4 101 B7R1.2 O=C1CCC(=O)C1 OR24952 [0,1,0,0,0,0|1,0,1]=3 102 B7R1.2 O=C1CCC(=O)O1 OR42120 [0,1,0,0,0,0|0,0,1]=2 103 B7R1.2 O=C1COC(=O)C1 OR15973 [0,1,0,0,0,0|0,0,1]=2 104 B7R1.2 O=C1COC(=O)C1 OR28721 [0,1,0,0,0,0|0,0,1]=2 105 B7R1.2 O=C1CSC(=O)N1 OR5630 [0,1,0,0,0,0|1,1,1]=4 106 B7R1.2 O=C1CSC(=S)N1 OR22181 [0,1,0,0,0,0|2,0,1]=4 107 B7R1.2 O=C1C[C@@H](O)CO1 OR4605 [0,1,0,0,0,0|0,0,0]=1 108 B7R1.2 O=C1C[C@H](O)CN1 OR60184 [0,1,0,0,0,0|1,0,0]=2 109 B7R1.2 O=C1OCC(Cl)O1 OR16071 [0,1,0,0,0,0|1,0,0]=2 110 B7R1.4 BrC1=C(Br)CCC1 OR13703 [0,1,0,0,0,0|2,0,0]=3 111 B7R1.4 CC1CCOC1=O OR55456 [0,1,0,0,0,0|0,0,0]=1 112 B7R1.4 CC1OCCC1=O OR28730 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.4 CN1CCNC1=S OR45131 [0,1,0,0,0,0|2,1,0]=4 114 B7R1.4 NC1CCOC1=O OR5100 [0,1,0,0,0,0|0,0,0]=1 115 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307606 [0,1,0,0,0,0|1,0,2]=4 116 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307607 [0,1,0,0,0,0|1,0,2]=4 117 B7R1.4 N[C@@H]1CCC[C@@H]1O OR307678 [0,1,0,0,0,0|1,0,2]=4 118 B7R1.4 N[C@H]1CCOC1=O OR54538 [0,1,0,0,0,0|0,0,0]=1 119 B7R1.4 O=C1CCC=C1Br OR19566 [0,1,0,0,0,0|1,0,1]=3 120 B7R1.4 O=C1CCCC1Cl OR5230 [0,1,0,0,0,0|1,0,0]=2 121 B7R1.4 O=C1NCCC1O OR40442 [0,1,0,0,0,0|1,0,0]=2 122 B7R1.4 O=C1OCCC1Br OR5280 [0,1,0,0,0,0|0,0,0]=1 123 B7R1.4 O=C1OCC[C@@H]1O OR315288 [0,1,0,0,0,0|0,0,0]=1 124 B7R1.4 O=C1OCC[C@H]1O OR315289 [0,1,0,0,0,0|0,0,0]=1 125 B7R1.14 CC1(N)CCCC1 OR52580 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.14 N=S1(=O)CCCC1 OR310524 [0,1,0,0,0,0|2,0,0]=3 127 B7R1.14 O=S1(=O)CCCC1 OR51759 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.1 C=CNC(C)=O OR938950 [0,0,1,0,0,0|1,0,2]=4 129 B5R0.1 C=COC(=O)Cl OR3129 [0,0,1,0,0,0|1,0,2]=4 130 B5R0.1 CC#CC(=O)O OR315221 [0,0,1,0,0,0|0,0,2]=3 131 B5R0.1 CC(=O)NCO OR61255 [0,0,1,0,0,0|2,0,0]=3 132 B5R0.1 CC(C)=CCBr OR46013 [0,0,1,0,0,0|3,0,0]=4 133 B5R0.1 CC(C)=CCCl OR22167 [0,0,1,0,0,0|3,0,0]=4 134 B5R0.1 CCCB(O)O OR8415 [0,0,1,0,0,0|1,0,1]=3 135 B5R0.1 CCCC(=O)O OR6005 [0,0,1,0,0,0|0,0,0]=1 136 B5R0.1 CCCC(=O)[O-] OR8783 [0,0,1,0,0,0|0,0,1]=2 137 B5R0.1 CCCC(C)N OR10075 [0,0,1,0,0,0|2,0,1]=4 138 B5R0.1 CCNC(N)=O OR42229 [0,0,1,0,0,0|2,0,0]=3 139 B5R0.1 CCOC(=S)[S-] OR59885 [0,0,1,0,0,0|1,1,0]=3 140 B5R0.1 COCC(=O)Cl OR40393 [0,0,1,0,0,0|2,0,0]=3 141 B5R0.1 CSCC(=O)O OR4573 [0,0,1,0,0,0|1,0,0]=2 142 B5R0.1 C[C@@H](O)CCO OR2223 [0,0,1,0,0,0|2,0,1]=4 143 B5R0.1 NC(=O)CCBr OR322315 [0,0,1,0,0,0|2,0,0]=3 144 B5R0.1 NC(=O)CCCl OR26786 [0,0,1,0,0,0|2,0,0]=3 145 B5R0.1 NCCC(=O)O OR5225 [0,0,1,0,0,0|1,0,0]=2 146 B5R0.1 O=C(Cl)CCCl OR11057 [0,0,1,0,0,0|2,0,0]=3 147 B5R0.1 O=C(O)CCBr OR8993 [0,0,1,0,0,0|1,0,0]=2 148 B5R0.1 O=C(O)CCO OR59874 [0,0,1,0,0,0|1,0,0]=2 149 B5R0.1 O=C(O)CCO OR70031 [0,0,1,0,0,0|1,0,0]=2 150 B5R0.1 O=C(O)\C=C\Cl OR2048 [0,0,1,0,0,0|1,0,2]=4 151 B5R0.2 C#CCCCC OR0049 [0,0,1,0,0,0|2,0,1]=4 152 B5R0.2 C#CCCCCl OR14511 [0,0,1,0,0,0|2,0,1]=4 153 B5R0.2 C#CCCCO OR5518 [0,0,1,0,0,0|1,0,1]=3 154 B5R0.2 C=CCCCBr OR30608 [0,0,1,0,0,0|2,0,0]=3 155 B5R0.2 C=CCNC=O OR28268 [0,0,1,0,0,0|1,0,2]=4 156 B5R0.2 C=CCOCCl OR53036 [0,0,1,0,0,0|3,0,0]=4 157 B5R0.2 C=COCCO OR904259 [0,0,1,0,0,0|2,0,0]=3 158 B5R0.2 CCCCC=O OR5422 [0,0,1,0,0,0|1,0,0]=2 159 B5R0.2 CCCCCBr OR5396 [0,0,1,0,0,0|2,0,1]=4 160 B5R0.2 CCCCCI OR53033 [0,0,1,0,0,0|2,0,1]=4 161 B5R0.2 CCCCCN OR10079 [0,0,1,0,0,0|2,0,1]=4 162 B5R0.2 CCCCCO OR5324 [0,0,1,0,0,0|1,0,1]=3 163 B5R0.2 CCCC[Mg]Br OR320111 [0,0,1,0,0,0|3,0,0]=4 164 B5R0.2 CCCN=C=S OR30307 [0,0,1,0,0,0|1,1,1]=4 165 B5R0.2 CCO\C=C/Br OR10832 [0,0,1,0,0,0|3,0,0]=4 166 B5R0.2 CNCCCO OR309167 [0,0,1,0,0,0|2,0,0]=3 167 B5R0.2 COCCCBr OR911631 [0,0,1,0,0,0|3,0,0]=4 168 B5R0.2 COCCCN OR54484 [0,0,1,0,0,0|3,0,0]=4 169 B5R0.2 COCCCO OR0976 [0,0,1,0,0,0|2,0,0]=3 170 B5R0.2 CSCCCN OR12831 [0,0,1,0,0,0|3,0,0]=4 171 B5R0.2 ClCCCCBr OR919950 [0,0,1,0,0,0|2,0,1]=4 172 B5R0.2 ClCCCCI OR61420 [0,0,1,0,0,0|2,0,1]=4 173 B5R0.2 ICCCCI OR460062 [0,0,1,0,0,0|2,0,1]=4 174 B5R0.2 N#CCCCBr OR45083 [0,0,1,0,0,0|2,0,1]=4 175 B5R0.2 O=C=NCCCl OR6436 [0,0,1,0,0,0|2,0,1]=4 176 B5R0.2 OCCCCBr OR4233 [0,0,1,0,0,0|1,0,1]=3 177 B5R0.2 OCCCCCl OR13226 [0,0,1,0,0,0|1,0,1]=3 178 B5R0.3 C#CC(=O)OC OR0649 [0,0,1,0,0,0|0,0,2]=3 179 B5R0.3 C=CC(=O)CC OR70148 [0,0,1,0,0,0|1,0,1]=3 180 B5R0.3 C=CC(=O)OC OR322452 [0,0,1,0,0,0|0,0,2]=3 181 B5R0.3 CCC(=O)CBr OR1465 [0,0,1,0,0,0|2,0,0]=3 182 B5R0.3 CCC(C)OC OR14508 [0,0,1,0,0,0|1,0,1]=3 183 B5R0.3 CCC(N)CC OR10080 [0,0,1,0,0,0|2,0,1]=4 184 B5R0.3 CCC(O)CC OR10042 [0,0,1,0,0,0|1,0,2]=4 185 B5R0.3 COC(=O)CN OR52169 [0,0,1,0,0,0|1,0,0]=2 186 B5R0.3 COC(=O)CO OR21875 [0,0,1,0,0,0|1,0,0]=2 187 B5R0.3 COC(=O)CS OR62074 [0,0,1,0,0,0|1,0,0]=2 188 B5R0.3 O=C(CBr)CBr OR16995 [0,0,1,0,0,0|3,0,0]=4 189 B7R2.13 C1CC2OC2C1 OR4849 [0,0,0,1,0,0|1,0,2]=4 190 B5R1.2 BrC1CCC1 OR41168 [0,0,0,0,1,0|1,0,1]=3 191 B5R1.2 BrC1COC1 OR301081 [0,0,0,0,1,0|2,0,1]=4 192 B5R1.2 NC1CCC1 OR59991 [0,0,0,0,1,0|1,0,1]=3 193 B5R1.2 NC1COC1 OR308008 [0,0,0,0,1,0|2,0,1]=4 194 B5R1.2 O=C1CCC1 OR30488 [0,0,0,0,1,0|0,0,0]=1 195 B5R1.2 O=C1CCN1 OR24812 [0,0,0,0,1,0|1,0,0]=2 196 B5R1.2 O=C1CNC1 OR308018 [0,0,0,0,1,0|1,0,0]=2 197 B5R1.2 O=C1COC1 OR301011 [0,0,0,0,1,0|1,0,0]=2 198 B5R1.2 OC1CNC1 OR1873 [0,0,0,0,1,0|1,0,2]=4 199 B5R1.2 OC1CNC1 OR301160 [0,0,0,0,1,0|1,0,2]=4 200 B5R1.2 OC1COC1 OR60206 [0,0,0,0,1,0|1,0,2]=4 201 B7R1.3 BrC1CCOCC1 OR19531 [0,0,0,0,0,1|2,0,1]=4 202 B7R1.3 CC1=CCCCC1 OR7135 [0,0,0,0,0,1|2,0,0]=3 203 B7R1.3 CC1CCCCN1 OR8797 [0,0,0,0,0,1|2,0,1]=4 204 B7R1.3 CC1CCCNC1 OR5090 [0,0,0,0,0,1|2,0,1]=4 205 B7R1.3 CC1CCNCC1 OR8800 [0,0,0,0,0,1|2,0,1]=4 206 B7R1.3 CC1CCOCO1 OR10967 [0,0,0,0,0,1|1,0,1]=3 207 B7R1.3 CC1CNCCN1 OR4860 [0,0,0,0,0,1|2,0,1]=4 208 B7R1.3 CC1CNCCO1 OR301073 [0,0,0,0,0,1|1,0,1]=3 209 B7R1.3 CC1COCCN1 OR41010 [0,0,0,0,0,1|2,0,1]=4 210 B7R1.3 CN1CCCCC1 OR13633 [0,0,0,0,0,1|3,0,0]=4 211 B7R1.3 CN1CCNCC1 OR18370 [0,0,0,0,0,1|3,0,0]=4 212 B7R1.3 CN1CCOCC1 OR16938 [0,0,0,0,0,1|3,0,0]=4 213 B7R1.3 C[C@@H]1CCCCN1 OR313055 [0,0,0,0,0,1|2,0,1]=4 214 B7R1.3 C[C@@H]1CNCCN1 OR5889 [0,0,0,0,0,1|2,0,1]=4 215 B7R1.3 C[C@@H]1CNCCO1 OR70093 [0,0,0,0,0,1|1,0,1]=3 216 B7R1.3 C[C@@H]1COCCN1 OR17129 [0,0,0,0,0,1|2,0,1]=4 217 B7R1.3 C[C@@H]1COCCN1 OR308175 [0,0,0,0,0,1|2,0,1]=4 218 B7R1.3 C[C@H]1CNCCN1 OR5877 [0,0,0,0,0,1|2,0,1]=4 219 B7R1.3 C[C@H]1CNCCO1 OR308176 [0,0,0,0,0,1|1,0,1]=3 220 B7R1.3 C[C@H]1CNCCO1 OR45132 [0,0,0,0,0,1|1,0,1]=3 221 B7R1.3 C[C@H]1COCCN1 OR308174 [0,0,0,0,0,1|2,0,1]=4 222 B7R1.3 IC1CCOCC1 OR9693 [0,0,0,0,0,1|2,0,1]=4 223 B7R1.3 NC1CCCNC1 OR6131 [0,0,0,0,0,1|2,0,1]=4 224 B7R1.3 NC1CCCOC1 OR52254 [0,0,0,0,0,1|1,0,1]=3 225 B7R1.3 NC1CCCOC1 OR70184 [0,0,0,0,0,1|1,0,1]=3 226 B7R1.3 NC1CCNCC1 OR4858 [0,0,0,0,0,1|2,0,1]=4 227 B7R1.3 NC1CCOCC1 OR10342 [0,0,0,0,0,1|2,0,1]=4 228 B7R1.3 NC1CCOCC1 OR10342S [0,0,0,0,0,1|2,0,1]=4 229 B7R1.3 NC1CCOCC1 OR10343 [0,0,0,0,0,1|2,0,1]=4 230 B7R1.3 NC1CCSCC1 OR8412 [0,0,0,0,0,1|2,0,1]=4 231 B7R1.3 NN1CCCCC1 OR30621 [0,0,0,0,0,1|3,0,0]=4 232 B7R1.3 NN1CCNCC1 OR5119 [0,0,0,0,0,1|3,0,0]=4 233 B7R1.3 NN1CCOCC1 OR18291 [0,0,0,0,0,1|3,0,0]=4 234 B7R1.3 N[C@@H]1CCCNC1 OR4587 [0,0,0,0,0,1|2,0,1]=4 235 B7R1.3 N[C@H]1CCCNC1 OR4585 [0,0,0,0,0,1|2,0,1]=4 236 B7R1.3 O=C1C=CCCC1 OR18379 [0,0,0,0,0,1|1,0,0]=2 237 B7R1.3 O=C1C=CCCO1 OR70226 [0,0,0,0,0,1|0,0,1]=2 238 B7R1.3 O=C1CCCCN1 OR5194 [0,0,0,0,0,1|1,0,0]=2 239 B7R1.3 O=C1CCCCO1 OR10065 [0,0,0,0,0,1|0,0,0]=1 240 B7R1.3 O=C1CCCNC1 OR40196 [0,0,0,0,0,1|1,0,0]=2 241 B7R1.3 O=C1CCCOC1 OR301349 [0,0,0,0,0,1|0,0,0]=1 242 B7R1.3 O=C1CCNCC1 OR55344 [0,0,0,0,0,1|1,0,0]=2 243 B7R1.3 O=C1CCNCC1 OR6945 [0,0,0,0,0,1|1,0,0]=2 244 B7R1.3 O=C1CCOCC1 OR9280 [0,0,0,0,0,1|1,0,0]=2 245 B7R1.3 O=C1CCSCC1 OR27391 [0,0,0,0,0,1|1,0,0]=2 246 B7R1.3 O=C1CNCCN1 OR4565 [0,0,0,0,0,1|1,0,0]=2 247 B7R1.3 O=C1COCCN1 OR301177 [0,0,0,0,0,1|1,0,0]=2 248 B7R1.3 O=C1OCCCO1 OR41165 [0,0,0,0,0,1|0,0,0]=1 249 B7R1.3 OC1CCCNC1 OR350185 [0,0,0,0,0,1|1,0,2]=4 250 B7R1.3 OC1CCCOC1 OR46583 [0,0,0,0,0,1|0,0,2]=3 251 B7R1.3 OC1CCNCC1 OR9943 [0,0,0,0,0,1|1,0,2]=4 252 B7R1.3 OC1CCOCC1 OR14305 [0,0,0,0,0,1|1,0,2]=4 253 B7R1.3 O[C@@H]1CCCNC1 OR4578 [0,0,0,0,0,1|1,0,2]=4 254 B7R1.3 O[C@H]1CCCNC1 OR4577 [0,0,0,0,0,1|1,0,2]=4 255 B7R1.3 S=C1NCCCN1 OR21392 [0,0,0,0,0,1|1,1,0]=3 256 B7R1.3 S=C1NCCCS1 OR15461 [0,0,0,0,0,1|0,2,0]=3 257 B7R1.3 S=C1NCNCN1 OR24102 [0,0,0,0,0,1|2,1,0]=4 258 B7R1.3 SC1CCCCC1 OR5294 [0,0,0,0,0,1|1,1,1]=4 259 B4R0.1 C#CC(=O)O OR30972 [1,0,1,0,0,0|0,0,2]=4 260 B4R0.1 C#CC(C)=O OR7548 [1,0,1,0,0,0|0,0,2]=4 261 B4R0.1 C=C(C)CBr OR17610 [1,0,1,0,0,0|2,0,0]=4 262 B4R0.1 C=C(C)CC OR14507 [1,0,1,0,0,0|1,0,0]=3 263 B4R0.1 C=C(C)CCl OR16423 [1,0,1,0,0,0|2,0,0]=4 264 B4R0.1 C=C(C)CN OR10897 [1,0,1,0,0,0|2,0,0]=4 265 B4R0.1 C=C(C)CN OR59958 [1,0,1,0,0,0|2,0,0]=4 266 B4R0.1 C=C(C)CO OR16426 [1,0,1,0,0,0|2,0,0]=4 267 B4R0.1 C=C(C)OC OR17619 [1,0,1,0,0,0|1,0,0]=3 268 B4R0.1 CC(=O)C=O OR53061 [1,0,1,0,0,0|1,0,1]=4 269 B4R0.1 CC(=O)C=O OR5752 [1,0,1,0,0,0|1,0,1]=4 270 B4R0.1 CC(=O)CO OR17702 [1,0,1,0,0,0|1,0,0]=3 271 B4R0.1 CC(=O)NO OR6375T [1,0,1,0,0,0|2,0,0]=4 272 B4R0.1 CCB(O)O OR8874 [1,0,1,0,0,0|1,0,1]=4 273 B4R0.1 CCC(=N)N OR200136 [1,0,1,0,0,0|2,0,0]=4 274 B4R0.1 CCC(=O)[O-] OR70110 [1,0,1,0,0,0|0,0,1]=3 275 B4R0.1 CCC(C)Br OR4335 [1,0,1,0,0,0|1,0,1]=4 276 B4R0.1 CCC(C)Cl OR460003 [1,0,1,0,0,0|1,0,1]=4 277 B4R0.1 CCC(C)I OR5340 [1,0,1,0,0,0|1,0,1]=4 278 B4R0.1 CC[C@@H](C)N OR59999 [1,0,1,0,0,0|1,0,1]=4 279 B4R0.1 CC[C@@H](C)O OR304038 [1,0,1,0,0,0|0,0,2]=4 280 B4R0.1 CC[C@H](C)N OR60000 [1,0,1,0,0,0|1,0,1]=4 281 B4R0.1 CC[C@H](C)O OR4619 [1,0,1,0,0,0|0,0,2]=4 282 B4R0.1 COC(N)=O OR46510 [1,0,1,0,0,0|1,0,0]=3 283 B4R0.1 NC(=O)CBr OR6592 [1,0,1,0,0,0|2,0,0]=4 284 B4R0.1 NC(=O)CCl OR12801 [1,0,1,0,0,0|2,0,0]=4 285 B4R0.1 NC(=O)CI OR59962 [1,0,1,0,0,0|2,0,0]=4 286 B4R0.1 NC(=O)CO OR21888 [1,0,1,0,0,0|2,0,0]=4 287 B4R0.1 NC(=O)CS OR24255 [1,0,1,0,0,0|2,0,0]=4 288 B4R0.1 O=C(Cl)CBr OR54475 [1,0,1,0,0,0|2,0,0]=4 289 B4R0.1 O=C(O)CBr OR6366 [1,0,1,0,0,0|1,0,0]=3 290 B4R0.1 O=C(O)CI OR322006 [1,0,1,0,0,0|1,0,0]=3 291 B4R0.1 O=C(O)CO OR13191 [1,0,1,0,0,0|1,0,0]=3 292 B4R0.1 O=C([O-])CS OR30627 [1,0,1,0,0,0|1,0,1]=4 293 B4R0.1 O=CC(=O)O OR52099 [1,0,1,0,0,0|1,0,1]=4 294 B4R0.2 BrCCCBr OR0972 [1,0,1,0,0,0|2,0,0]=4 295 B4R0.2 C#CCCC OR5512 [1,0,1,0,0,0|1,0,1]=4 296 B4R0.2 C#CCCO OR1952 [1,0,1,0,0,0|0,0,2]=4 297 B4R0.2 C#COCC OR4769 [1,0,1,0,0,0|0,0,2]=4 298 B4R0.2 C=CCCBr OR8033 [1,0,1,0,0,0|1,0,1]=4 299 B4R0.2 C=CCCC OR5326 [1,0,1,0,0,0|1,0,0]=3 300 B4R0.2 C=CCNC OR3619 [1,0,1,0,0,0|2,0,0]=4 301 B4R0.2 CC=CCCl OR5497 [1,0,1,0,0,0|2,0,0]=4 302 B4R0.2 CC=CCO OR18372 [1,0,1,0,0,0|1,0,1]=4 303 B4R0.2 CCCC#N OR9437 [1,0,1,0,0,0|1,0,1]=4 304 B4R0.2 CCCCBr OR460056 [1,0,1,0,0,0|1,0,1]=4 305 B4R0.2 CCCCI OR3174 [1,0,1,0,0,0|1,0,1]=4 306 B4R0.2 CCOC=O OR28814 [1,0,1,0,0,0|0,0,0]=2 307 B4R0.2 COCCBr OR11137 [1,0,1,0,0,0|1,0,1]=4 308 B4R0.2 COCCN OR59868 [1,0,1,0,0,0|1,0,1]=4 309 B4R0.2 C\C=C\CCl OR51978 [1,0,1,0,0,0|2,0,0]=4 310 B4R0.2 ClCCCCl OR0973 [1,0,1,0,0,0|2,0,0]=4 311 B4R0.2 ClCCCI OR2939 [1,0,1,0,0,0|2,0,0]=4 312 B4R0.2 ICCCI OR4510 [1,0,1,0,0,0|2,0,0]=4 313 B4R0.2 N#CCCO OR3049 [1,0,1,0,0,0|1,0,1]=4 314 B4R0.2 NCCCBr OR322151 [1,0,1,0,0,0|2,0,0]=4 315 B4R0.2 NNCCO OR9124 [1,0,1,0,0,0|2,0,0]=4 316 B4R0.2 OCCCBr OR0978 [1,0,1,0,0,0|1,0,0]=3 317 B4R0.2 OCCCCl OR0977 [1,0,1,0,0,0|1,0,0]=3 318 B6R0.1 C#CC(=O)OCC OR28819 [0,1,1,0,0,0|0,0,1]=3 319 B6R0.1 CCCC(=N)NO OR12351 [0,1,1,0,0,0|1,0,0]=3 320 B6R0.1 CCCC(C)C=O OR40018 [0,1,1,0,0,0|1,0,1]=4 321 B6R0.1 CCNC(=O)CBr OR40485 [0,1,1,0,0,0|1,0,0]=3 322 B6R0.1 CCOC(=O)C#N OR17890 [0,1,1,0,0,0|0,0,1]=3 323 B6R0.1 CCOC(=O)C=O OR59968 [0,1,1,0,0,0|0,0,1]=3 324 B6R0.1 CCOC(=O)CN OR43634 [0,1,1,0,0,0|0,0,0]=2 325 B6R0.1 CCOC(=O)CS OR17516 [0,1,1,0,0,0|0,0,0]=2 326 B6R0.1 CCOC(=O)NN OR25885 [0,1,1,0,0,0|1,0,0]=3 327 B6R0.1 CCOC(=O)NO OR9111 [0,1,1,0,0,0|1,0,0]=3 328 B6R0.1 CNC(=O)CCN OR16480 [0,1,1,0,0,0|2,0,0]=4 329 B6R0.1 CNC(=O)CCN OR51734 [0,1,1,0,0,0|2,0,0]=4 330 B6R0.1 CNCC(=O)OC OR26803 [0,1,1,0,0,0|1,0,0]=3 331 B6R0.1 COC(=O)CC#N OR13190 [0,1,1,0,0,0|1,0,1]=4 332 B6R0.1 COC(=O)CCS OR28780 [0,1,1,0,0,0|1,0,0]=3 333 B6R0.1 COC(=O)CSC OR9387 [0,1,1,0,0,0|1,0,0]=3 334 B6R0.1 [C-]#[N+]CC(=O)OC OR54541 [0,1,1,0,0,0|1,0,1]=4 335 B6R0.2 CC(=O)C=C(C)N OR1506 [0,1,1,0,0,0|1,0,1]=4 336 B6R0.2 CC(=O)CC(C)=O OR16430 [0,1,1,0,0,0|1,0,1]=4 337 B6R0.2 CC(=O)CC(C)C OR61047 [0,1,1,0,0,0|1,0,0]=3 338 B6R0.2 CC(=O)\C=C(\C)[O-] OR15745 [0,1,1,0,0,0|1,0,1]=4 339 B6R0.2 CC(C)=CC(=O)O OR46069 [0,1,1,0,0,0|0,0,2]=4 340 B6R0.2 CC(C)CB(O)O OR14160 [0,1,1,0,0,0|1,0,1]=4 341 B6R0.2 CC(C)CC(=O)O OR2260 [0,1,1,0,0,0|0,0,0]=2 342 B6R0.2 CC(C)CC(N)=O OR22499 [0,1,1,0,0,0|1,0,0]=3 343 B6R0.2 CC(C)OC(C)C OR30780 [0,1,1,0,0,0|1,0,1]=4 344 B6R0.2 CC(Cl)OC(=O)Cl OR16433 [0,1,1,0,0,0|1,0,0]=3 345 B6R0.2 CC(O)CC(C)O OR10041 [0,1,1,0,0,0|1,0,1]=4 346 B6R0.2 CN(C)CC(=O)O OR45130 [0,1,1,0,0,0|1,0,0]=3 347 B6R0.2 O=C(O)CC(=O)O OR0786 [0,1,1,0,0,0|1,0,1]=4 348 B6R0.3 CC(=O)C(=O)CBr OR46042 [0,1,1,0,0,0|2,0,0]=4 349 B6R0.3 CC=C(C)C(C)=O OR0641 [0,1,1,0,0,0|1,0,1]=4 350 B6R0.3 CCC(N)C(=O)O OR9986 [0,1,1,0,0,0|0,0,0]=2 351 B6R0.3 CC[C@@H](N)C(=O)O OR9988 [0,1,1,0,0,0|0,0,0]=2 352 B6R0.3 CC[C@H](C)C(=O)O OR315294 [0,1,1,0,0,0|0,0,0]=2 353 B6R0.3 CC[C@H](Cl)C(=O)O OR54621 [0,1,1,0,0,0|0,0,0]=2 354 B6R0.3 CC[C@H](N)C(=O)O OR01636 [0,1,1,0,0,0|0,0,0]=2 355 B6R0.3 CC[C@H](N)C(N)=O OR46608 [0,1,1,0,0,0|1,0,0]=3 356 B6R0.3 CNC(=O)C(=O)O OR016302 [0,1,1,0,0,0|1,0,1]=4 357 B6R0.3 CNC(C)C(=O)O OR930477 [0,1,1,0,0,0|1,0,0]=3 358 B6R0.3 CN[C@@H](C)C(=O)O OR61451 [0,1,1,0,0,0|1,0,0]=3 359 B6R0.3 CON(C)C(C)=O OR46610 [0,1,1,0,0,0|2,0,0]=4 360 B6R0.3 C\C=C(\C)C(=O)O OR28647 [0,1,1,0,0,0|0,0,2]=4 361 B6R0.3 NCC(N)C(=O)O OR42215 [0,1,1,0,0,0|1,0,0]=3 362 B6R0.3 NCC(N)C(=O)O OR5494 [0,1,1,0,0,0|1,0,0]=3 363 B6R0.3 NCC(O)C(=O)O OR322969 [0,1,1,0,0,0|1,0,0]=3 364 B6R0.3 N[C@@H](CS)C(=O)O OR0325 [0,1,1,0,0,0|1,0,0]=3 365 B6R0.3 O=C(O)C(=O)CBr OR10838 [0,1,1,0,0,0|1,0,1]=4 366 B6R0.3 O=C(O)C(=O)CBr OR8799 [0,1,1,0,0,0|1,0,1]=4 367 B6R0.3 O=C(O)C(Br)CBr OR4887 [0,1,1,0,0,0|1,0,0]=3 368 B6R0.4 C#CCCC(=O)O OR5526 [0,1,1,0,0,0|0,0,1]=3 369 B6R0.4 CC(=O)CCCCl OR10086 [0,1,1,0,0,0|1,0,0]=3 370 B6R0.4 CC(=O)NCCCl OR55006 [0,1,1,0,0,0|1,0,0]=3 371 B6R0.4 CC(=O)SCC#N OR24381 [0,1,1,0,0,0|0,1,1]=4 372 B6R0.4 CC(C)=CCCBr OR3008 [0,1,1,0,0,0|2,0,0]=4 373 B6R0.4 CCC#CC(=O)O OR70066 [0,1,1,0,0,0|0,0,1]=3 374 B6R0.4 CCC=CC(=O)O OR6566 [0,1,1,0,0,0|0,0,1]=3 375 B6R0.4 CCCCB(O)O OR10619 [0,1,1,0,0,0|1,0,1]=4 376 B6R0.4 CCCCC(C)=O OR10020 [0,1,1,0,0,0|1,0,0]=3 377 B6R0.4 CCCC[C@H](C)O OR304042 [0,1,1,0,0,0|1,0,1]=4 378 B6R0.4 CCCOC(C)=O OR5312 [0,1,1,0,0,0|0,0,0]=2 379 B6R0.4 CCOCC(=O)O OR6531 [0,1,1,0,0,0|0,0,0]=2 380 B6R0.4 CNCCC(=O)O OR301194 [0,1,1,0,0,0|0,0,0]=2 381 B6R0.4 CNCCC(N)=O OR17506 [0,1,1,0,0,0|1,0,0]=3 382 B6R0.4 CO\C=C\C(C)=O OR52529 [0,1,1,0,0,0|1,0,1]=4 383 B6R0.4 NC(=O)NCCO OR17003 [0,1,1,0,0,0|2,0,0]=4 384 B6R0.4 NCCCC(=O)O OR01972 [0,1,1,0,0,0|0,0,0]=2 385 B6R0.4 O=C(Cl)CCCCl OR5355 [0,1,1,0,0,0|1,0,0]=3 386 B6R0.4 O=C(O)CCCBr OR4284 [0,1,1,0,0,0|0,0,0]=2 387 B6R0.4 O=C(O)\C=C\CBr OR313099 [0,1,1,0,0,0|0,0,2]=4 388 B6R0.5 CCCS(=O)(=O)Cl OR19492 [0,1,1,0,0,0|1,0,1]=4 389 B6R0.5 CCCS(N)(=O)=O OR11393 [0,1,1,0,0,0|1,0,1]=4 390 B6R0.5 O=P(O)(O)CCCl OR10677 [0,1,1,0,0,0|2,0,0]=4 391 B6R0.6 C#CCCCCO OR30592 [0,1,1,0,0,0|1,0,1]=4 392 B6R0.6 C=CCCCC#N OR2952 [0,1,1,0,0,0|2,0,0]=4 393 B6R0.6 C=CCCCCBr OR7533 [0,1,1,0,0,0|2,0,0]=4 394 B6R0.6 C=CCCCCC OR01828 [0,1,1,0,0,0|2,0,0]=4 395 B6R0.6 C=CCCCCCl OR53170 [0,1,1,0,0,0|2,0,0]=4 396 B6R0.6 C=CCCCCO OR14506 [0,1,1,0,0,0|1,0,0]=3 397 B6R0.6 C=COCCON OR965288 [0,1,1,0,0,0|2,0,0]=4 398 B6R0.6 CCCCCC=O OR6051 [0,1,1,0,0,0|1,0,0]=3 399 B6R0.6 CCC\C=C\C=O OR6052 [0,1,1,0,0,0|1,0,0]=3 400 B6R0.6 CCOCOCC OR51849 [0,1,1,0,0,0|1,0,1]=4 401 B6R0.6 COCCOCCl OR4841 [0,1,1,0,0,0|1,0,1]=4 402 B6R0.6 NCCCCCO OR10081 [0,1,1,0,0,0|1,0,1]=4 403 B6R0.6 NCCCCCO OR51934 [0,1,1,0,0,0|1,0,1]=4 404 B6R0.6 NCCCCCO OR55441 [0,1,1,0,0,0|1,0,1]=4 405 B6R0.6 NCCSCCO OR28868 [0,1,1,0,0,0|1,0,1]=4 406 B6R0.6 OCCCCCCl OR6509 [0,1,1,0,0,0|1,0,1]=4 407 B6R0.6 OCCNCCO OR40730 [0,1,1,0,0,0|0,0,2]=4 408 B6R0.6 OCCOCCO OR59808 [0,1,1,0,0,0|0,0,2]=4 409 B6R0.8 COP(=O)(O)OC OR10807 [0,1,1,0,0,0|2,0,0]=4 410 B6R0.9 CCC(CC)=NO OR30404 [0,1,1,0,0,0|1,0,1]=4 411 B6R0.9 COC(C=O)OC OR59985 [0,1,1,0,0,0|1,0,1]=4 412 B6R1.5 CN1CC(N)C1 OR313027 [0,1,0,0,1,0|2,0,0]=4 413 B6R1.5 CN1CC(O)C1 OR308027 [0,1,0,0,1,0|2,0,0]=4 414 B6R1.5 CN1CC(O)C1 OR317154 [0,1,0,0,1,0|2,0,0]=4 415 B6R1.5 NC1CC(=O)C1 OR308095 [0,1,0,0,1,0|0,0,0]=2 416 B6R1.5 NC1CC(O)C1 OR317063 [0,1,0,0,1,0|0,0,2]=4 417 B6R1.5 N[C@H]1C[C@@H](O)C1 OR308097 [0,1,0,0,1,0|0,0,2]=4 418 B6R1.5 N[C@H]1C[C@H](O)C1 OR308098 [0,1,0,0,1,0|0,0,2]=4 419 B6R1.6 BrCC1CCC1 OR451132 [0,1,0,0,1,0|1,0,1]=4 420 B6R1.6 BrCC1CCO1 OR309080 [0,1,0,0,1,0|1,0,1]=4 421 B6R1.6 N#CC1CCC1 OR317271 [0,1,0,0,1,0|1,0,1]=4 422 B6R1.6 NCC1CCC1 OR308087 [0,1,0,0,1,0|1,0,1]=4 423 B6R1.6 NCC1CCC1 OR312056 [0,1,0,0,1,0|1,0,1]=4 424 B6R1.6 NCC1CCO1 OR61268 [0,1,0,0,1,0|1,0,1]=4 425 B6R1.6 O=CC1CCC1 OR313071 [0,1,0,0,1,0|0,0,1]=3 426 B6R1.6 O=CC1COC1 OR309108 [0,1,0,0,1,0|1,0,1]=4 427 B6R1.6 OCC1CCC1 OR61204 [0,1,0,0,1,0|0,0,2]=4 428 B6R1.10 C[Si]1(C)CCC1 OR52271 [0,1,0,0,1,0|1,1,0]=4 429 B8R1.2 BrCC1CCCOC1 OR70048 [0,1,0,0,0,1|1,0,1]=4 430 B8R1.2 C#CC1=CCCCC1 OR13588 [0,1,0,0,0,1|2,0,0]=4 431 B8R1.2 CSC1=NCCCN1 OR23426 [0,1,0,0,0,1|1,1,0]=4 432 B8R1.2 CSC1=NCCCS1 OR2828 [0,1,0,0,0,1|0,2,0]=4 433 B8R1.2 ClCC1CCCCO1 OR2054 [0,1,0,0,0,1|1,0,1]=4 434 B8R1.2 NCC1CCCCO1 OR110077 [0,1,0,0,0,1|1,0,1]=4 435 B8R1.2 NCC1CCCCO1 OR60205 [0,1,0,0,0,1|1,0,1]=4 436 B8R1.2 NCC1CCCOC1 OR52248 [0,1,0,0,0,1|1,0,1]=4 437 B8R1.2 NCC1CNCCO1 OR103657 [0,1,0,0,0,1|1,0,1]=4 438 B8R1.2 NOC1CCCCO1 OR350311 [0,1,0,0,0,1|0,0,2]=4 439 B8R1.2 O=CC1=COCCC1 OR3126 [0,1,0,0,0,1|0,0,0]=2 440 B8R1.2 O=CC1CCCCC1 OR0996 [0,1,0,0,0,1|1,0,1]=4 441 B8R1.2 O=CC1CCCOC1 OR70049 [0,1,0,0,0,1|0,0,1]=3 442 B8R1.2 O=CC1CCNCC1 OR2970 [0,1,0,0,0,1|1,0,1]=4 443 B8R1.2 O=CC1CCOCC1 OR9347 [0,1,0,0,0,1|1,0,1]=4 444 B8R1.2 O=CC1CCSCC1 OR14931 [0,1,0,0,0,1|1,0,1]=4 445 B8R1.2 O=CN1CCCCC1 OR5448 [0,1,0,0,0,1|2,0,0]=4 446 B8R1.2 O=CN1CCNCC1 OR5121 [0,1,0,0,0,1|2,0,0]=4 447 B8R1.2 OCC1CCCCO1 OR5628 [0,1,0,0,0,1|0,0,2]=4 448 B8R1.2 OCC1CCCOC1 OR70047 [0,1,0,0,0,1|0,0,2]=4 449 B8R1.3 CC1=NNC(=O)CC1 OR21385 [0,1,0,0,0,1|1,0,1]=4 450 B8R1.3 CC1CCC(=O)CC1 OR5041 [0,1,0,0,0,1|1,0,0]=3 451 B8R1.3 CN1CCC(=O)CC1 OR0648 [0,1,0,0,0,1|1,0,0]=3 452 B8R1.3 NC1CCC(=O)CC1 OR301000 [0,1,0,0,0,1|1,0,0]=3 453 B8R1.3 NC1CCC(=O)CC1 OR51872 [0,1,0,0,0,1|1,0,0]=3 454 B8R1.3 O=C1CCC(=O)CC1 OR5044 [0,1,0,0,0,1|1,0,0]=3 455 B8R1.3 O=C1CCC(=O)NC1 OR305436 [0,1,0,0,0,1|1,0,0]=3 456 B8R1.3 O=C1CCC(O)CC1 OR60149 [0,1,0,0,0,1|1,0,0]=3 457 B8R1.3 O=C1CCC(O)CN1 OR313048 [0,1,0,0,0,1|1,0,0]=3 458 B8R1.3 O=C1CNC(=O)CN1 OR30359 [0,1,0,0,0,1|1,0,1]=4 459 B8R1.3 O=C1COC(=O)CO1 OR28857 [0,1,0,0,0,1|0,0,1]=3 460 B8R1.4 CC1CC(=O)CCO1 OR54543 [0,1,0,0,0,1|1,0,0]=3 461 B8R1.4 CN1CCCC(=O)C1 OR55488 [0,1,0,0,0,1|1,0,0]=3 462 B8R1.4 CN1CCCC(=O)C1 OR55582 [0,1,0,0,0,1|1,0,0]=3 463 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 OR51787 [0,1,0,0,0,1|1,0,1]=4 464 B8R1.4 C[C@H]1CNC[C@@H](C)O1 OR16456 [0,1,0,0,0,1|1,0,1]=4 465 B8R1.4 C[C@H]1CNC[C@H](C)O1 OR51786 [0,1,0,0,0,1|1,0,1]=4 466 B8R1.4 NC1=CC(=O)CCC1 OR4645 [0,1,0,0,0,1|1,0,0]=3 467 B8R1.4 O=C1CCCC(=O)C1 OR28703 [0,1,0,0,0,1|1,0,0]=3 468 B8R1.4 O=C1CCNC(=O)C1 OR48245 [0,1,0,0,0,1|1,0,0]=3 469 B8R1.4 O=C1COCC(=O)N1 OR70072 [0,1,0,0,0,1|1,0,1]=4 470 B8R1.4 O=C1COCC(=O)O1 OR45104 [0,1,0,0,0,1|0,0,1]=3 471 B8R1.4 O=C1CSCC(=O)O1 OR28488 [0,1,0,0,0,1|0,0,1]=3 472 B8R1.5 CC1=NCCCN1C OR13592 [0,1,0,0,0,1|2,0,0]=4 473 B8R1.5 CC1CCCNC1=O OR22899 [0,1,0,0,0,1|1,0,0]=3 474 B8R1.5 CN1CCNCC1=O OR301209 [0,1,0,0,0,1|1,0,0]=3 475 B8R1.5 O=C1CCCCC1=O OR0317 [0,1,0,0,0,1|1,0,0]=3 476 B8R1.5 OC1OCCOC1O OR23815 [0,1,0,0,0,1|0,0,2]=4 477 B8R1.72 O=S1(=O)CCCCN1 OR10390 [0,1,0,0,0,1|2,0,0]=4 478 B8R1.72 O=S1(=O)CCNCC1 OR13966 [0,1,0,0,0,1|2,0,0]=4 479 B8R1.72 O=S1(=O)CCNCC1 OR61518 [0,1,0,0,0,1|2,0,0]=4 480 B8R1.72 O=S1(=O)CCOCC1 OR24045 [0,1,0,0,0,1|2,0,0]=4 481 B8R1.1 C=CC1CCC(=O)N1 OR307048 [0,2,0,0,0,0|1,0,0]=3 482 B8R1.1 NCC1CCC(=O)N1 OR953484 [0,2,0,0,0,0|1,0,0]=3 483 B8R1.1 O=C1CC(CO)CN1 OR300508 [0,2,0,0,0,0|1,0,0]=3 484 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [0,2,0,0,0,0|1,0,0]=3 485 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [0,2,0,0,0,0|0,0,0]=2 486 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [0,2,0,0,0,0|1,0,0]=3 487 B8R1.7 NC(=O)[C@@H]1CCCN1 OR3107 [0,2,0,0,0,0|1,0,1]=4 488 B8R1.7 O=C(Cl)C1CCCC1 OR6700 [0,2,0,0,0,0|1,0,1]=4 489 B8R1.7 O=C(O)C1CCCC1 OR18358 [0,2,0,0,0,0|1,0,1]=4 490 B8R1.7 O=C(O)C1CCCN1 OR350110 [0,2,0,0,0,0|1,0,1]=4 491 B8R1.7 O=C(O)C1CCCO1 OR10057 [0,2,0,0,0,0|0,0,1]=3 492 B8R1.7 O=C(O)[C@@H]1CCCO1 OR40518 [0,2,0,0,0,0|0,0,1]=3 493 B8R1.7 O=C(O)[C@H]1CCCN1 OR0718 [0,2,0,0,0,0|1,0,1]=4 494 B8R1.7 OB(O)C1=CCCC1 OR13114 [0,2,0,0,0,0|1,0,1]=4 495 B8R1.11 N#CC1=C(N)CCC1 OR7114 [0,2,0,0,0,0|2,0,0]=4 496 B8R1.11 N#CC1CCCC1=O OR7124 [0,2,0,0,0,0|1,0,0]=3 497 B8R1.50 CC1C(=O)CCC1=O OR0612 [0,2,0,0,0,0|1,0,1]=4 498 B8R1.50 CC1CCC(=O)C1=O OR28640 [0,2,0,0,0,0|1,0,0]=3 499 B8R1.50 CC1CCN(C)C1=O OR11733 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.50 CN1CCN(C)C1=O OR10114 [0,2,0,0,0,0|2,0,0]=4 501 B8R1.50 O=C1CCC(=O)N1Br OR7970 [0,2,0,0,0,0|1,0,1]=4 502 B8R1.50 O=C1CCC(=O)N1Cl OR0856 [0,2,0,0,0,0|1,0,1]=4 503 B8R1.50 O=C1CCC(=O)N1I OR28900 [0,2,0,0,0,0|1,0,1]=4 504 B8R1.50 O=C1CCC(=O)N1O OR28434 [0,2,0,0,0,0|1,0,1]=4 505 B8R1.50 O=C1OC[C@@H](O)[C@H]1O OR55152 [0,2,0,0,0,0|0,0,0]=2 506 B8R1.51 CC1(C)CCC(=O)O1 OR313007 [0,2,0,0,0,0|0,0,0]=2 507 B8R1.51 CC1(C)CNC(=O)C1 OR315573 [0,2,0,0,0,0|1,0,0]=3 508 B8R1.51 CC1(C)COC(=S)N1 OR25431 [0,2,0,0,0,0|1,1,0]=4 509 B8R1.51 CC1(O)CNC(=O)C1 OR21816 [0,2,0,0,0,0|1,0,0]=3 510 B8R1.51 C[C@@H]1COS(=O)(=O)O1 OR305470 [0,2,0,0,0,0|2,0,0]=4 511 B8R1.51 C[C@H]1COS(=O)(=O)O1 OR52605 [0,2,0,0,0,0|2,0,0]=4 512 B8R1.51 NC1CCS(=O)(=O)C1 OR28153 [0,2,0,0,0,0|2,0,0]=4 513 B8R1.51 O=S1(=O)CCC(O)C1 OR28311 [0,2,0,0,0,0|2,0,0]=4 514 B8R1.19 CC1(C)CONC1=O OR310131 [0,2,0,0,0,0|2,0,0]=4 515 B6R1.11 CC(=O)C1CC1 OR10100 [0,0,1,1,0,0|1,0,0]=3 516 B6R1.11 CC(=O)C1CO1 OR01831 [0,0,1,1,0,0|2,0,0]=4 517 B6R1.11 CC(O)C1CC1 OR54516 [0,0,1,1,0,0|1,0,1]=4 518 B6R1.11 N=C(N)C1CC1 OR27201 [0,0,1,1,0,0|2,0,0]=4 519 B6R1.11 NC(=O)C1CC1 OR18286 [0,0,1,1,0,0|1,0,0]=3 520 B6R1.11 O=C(Cl)C1CC1 OR17255 [0,0,1,1,0,0|1,0,0]=3 521 B6R1.11 O=C(O)C1CC1 OR5295 [0,0,1,1,0,0|0,0,0]=2 522 B6R1.11 OB(O)C1CC1 OR6228 [0,0,1,1,0,0|1,0,1]=4 523 B6R1.1 C1=COCCC1 OR183406 [0,0,1,1,0,0|1,0,0]=3 524 B6R1.7 CCC1(C)CO1 OR70119 [0,0,1,1,0,0|1,0,1]=4 525 B8R2.34 C1OC2CNC1C2 OR015021 [0,0,0,1,0,1|1,0,1]=4 526 B8R2.38 O=C1CCC2CC12 OR70212 [0,0,0,1,0,1|1,0,0]=3 527 B4R1.1 C1CNC1 OR59419 [1,0,0,0,1,0|1,0,0]=3 528 B4R1.1 C1CNC1 OR59858 [1,0,0,0,1,0|1,0,0]=3 529 B4R1.2 BrC1CC1 OR18407 [0,0,0,0,2,0|1,0,1]=4 530 B4R1.2 NC1CC1 OR18344 [0,0,0,0,2,0|1,0,1]=4 531 B8R1.22 BrC1=CCCCCC1 OR59406 [0,0,0,0,0,2|2,0,0]=4 532 B8R1.22 C=C1OCCCCO1 OR200162 [0,0,0,0,0,2|1,0,0]=3 533 B8R1.22 O=C1CCCCCC1 OR6556 [0,0,0,0,0,2|1,0,0]=3 534 B8R1.22 O=C1CCCCCN1 OR42190 [0,0,0,0,0,2|1,0,0]=3 535 B8R1.22 O=C1CCCNCC1 OR4647 [0,0,0,0,0,2|1,0,0]=3 536 B8R1.22 O=C1CCNCCN1 OR2299 [0,0,0,0,0,2|1,0,0]=3 537 B8R1.22 O=C1CCNCCN1 OR9118 [0,0,0,0,0,2|1,0,0]=3