0 B9R1.8 Br[Mg]CC1=CC=CC=C1 M10033223P [0,0,0,0,0,0|4,0,0]=4 1 B9R1.8 CCNC1=CC=CN=C1 M10217063P [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CCOC1=NN=CC=C1 M10375586P [0,0,0,0,0,0|4,0,0]=4 3 B9R1.8 COCC1=CC=CC=C1 M10013562P [0,0,0,0,0,0|4,0,0]=4 4 B9R1.8 Cl[Mg]CC1=CC=CC=C1 M10097238P [0,0,0,0,0,0|4,0,0]=4 5 B9R1.8 NCCC1=CC=CC=C1 M10005773P [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 NNCC1=CC=CC=C1 M10014053P [0,0,0,0,0,0|4,0,0]=4 7 B9R1.8 NOCC1=CC=CC=C1 M10016568P [0,0,0,0,0,0|4,0,0]=4 8 B9R1.8 NOCC1=CC=CC=C1 M10046733P [0,0,0,0,0,0|4,0,0]=4 9 B9R1.8 OCCC1=CC=NC=C1 M10071683P [0,0,0,0,0,0|3,1,0]=4 10 B9R1.8 OCCC1=CN=CN=C1 M10014182P [0,0,0,0,0,0|2,1,0]=3 11 B9R1.8 OCCC1=NC=CN=C1 M10095634P [0,0,0,0,0,0|0,1,0]=1 12 B9R1.8 ONCC1=CC=CC=C1 M10016566P [0,0,0,0,0,0|3,1,0]=4 13 B9R1.8 O\N=C\C1=NC=CC=C1 M10022301P [0,0,0,0,0,0|2,1,1]=4 14 B9R1.8 SCCC1=CC=CC=C1 M10062928P [0,0,0,0,0,0|2,0,0]=2 15 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 M10114263P [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 BrCC1=CC=CN=C1 M10067250P [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 BrCC1=NC=CC=C1 M10212637P [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 COC1=CC=NN=C1 M10167172P [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 COC1=NN=CC=C1 M10158813P [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 CSC1=NC=CC=N1 M10021362P [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 ClCC1=CC=CC=C1 M10002812P [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 ClCC1=NC=CC=N1 M10084385P [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 ClCC1=NC=CC=N1 M10275251P [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 ClCC1=NN=CC=C1 M10245250P [1,0,0,0,0,0|3,0,0]=4 25 B8R1.2 NCC1=NC=CN=C1 M10163885P [1,0,0,0,0,0|1,0,0]=2 26 B8R1.2 NCC1=NC=CN=C1 M10239061P [1,0,0,0,0,0|1,0,0]=2 27 B8R1.2 NCC1=NN=CC=C1 M10614464P [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 NNC1=NC=CN=C1 M10277619P [1,0,0,0,0,0|2,0,0]=3 29 B8R1.2 OCC1=CN=CN=C1 M10188264P [1,0,0,0,0,0|2,1,0]=4 30 B8R1.2 OCC1=NC=NC=C1 M10220939P [1,0,0,0,0,0|2,1,0]=4 31 B10R1.1 CC1=CC=C(CCO)C=C1 M10018812P [0,1,0,0,0,0|2,1,0]=4 32 B10R1.1 ClC1=CC=C(CCBr)C=C1 M10092955P [0,1,0,0,0,0|3,0,0]=4 33 B10R1.1 ClCCC1=CC=C(Cl)C=C1 M10216722P [0,1,0,0,0,0|3,0,0]=4 34 B10R1.1 FC1=CC=C(CCN)C=C1 M10011223P [0,1,0,0,0,0|3,0,0]=4 35 B10R1.1 IC1=CC=C(CCO)C=C1 M10267797P [0,1,0,0,0,0|2,1,0]=4 36 B10R1.1 NCCC1=CC=C(Cl)C=C1 M10044604P [0,1,0,0,0,0|3,0,0]=4 37 B10R1.1 OC1=CC=C(CCBr)C=C1 M10129025P [0,1,0,0,0,0|3,0,0]=4 38 B10R1.4 CC1=CC=CC=C1CCO M10162794P [0,1,0,0,0,0|2,1,0]=4 39 B10R1.4 CC1=NC=CN=C1OCC M10218072P [0,1,0,0,0,0|2,0,0]=3 40 B10R1.4 CCOC1=NC=CN=C1N M10571324P [0,1,0,0,0,0|2,0,0]=3 41 B10R1.4 COCC1=NC=CN=C1Cl M10128447P [0,1,0,0,0,0|2,0,0]=3 42 B10R1.4 FC1=CC=CC=C1CCN M10266617P [0,1,0,0,0,0|3,0,0]=4 43 B10R1.4 FC1=CC=CC=C1CCO M10256724P [0,1,0,0,0,0|2,1,0]=4 44 B10R1.10 CC1=CC(CCO)=CC=C1 M10037423P [0,1,0,0,0,0|2,1,0]=4 45 B10R1.10 ClC1=CC(CCN)=CC=C1 M10120455P [0,1,0,0,0,0|3,0,0]=4 46 B10R1.10 ClC1=NC=CC(CCN)=N1 M10506927P [0,1,0,0,0,0|3,0,0]=4 47 B10R1.10 FC1=CC(CCO)=CC=C1 M10263285P [0,1,0,0,0,0|2,1,0]=4 48 B10R1.10 NC1=CC(CCO)=CC=C1 M10264436P [0,1,0,0,0,0|2,1,0]=4 49 B10R1.15 BrCC(C1=CC=CN=C1)=O M10151041P [0,1,0,0,0,0|2,0,1]=4 50 B10R1.15 BrCC(C1=NC=CC=C1)=O M10150216P [0,1,0,0,0,0|2,0,1]=4 51 B10R1.15 BrCC(O)C1=CC=CC=C1 M10828430P [0,1,0,0,0,0|3,0,0]=4 52 B10R1.15 CC(C1=CC=CC=C1)CBr M10031082P [0,1,0,0,0,0|3,0,0]=4 53 B10R1.15 CC(C1=CC=CC=C1)CN M10165660P [0,1,0,0,0,0|3,0,0]=4 54 B10R1.15 CC(C1=CC=CC=C1)CO M10027348P [0,1,0,0,0,0|2,1,0]=4 55 B10R1.15 ClCC(C1=CC=CN=C1)=O M10350662P [0,1,0,0,0,0|2,0,1]=4 56 B10R1.15 ClCC(C1=CC=CN=C1)=O M12276696P [0,1,0,0,0,0|2,0,1]=4 57 B10R1.15 NC(CC)C1=CC=CC=C1 M10388570P [0,1,0,0,0,0|3,0,0]=4 58 B10R1.15 NCC(C)C1=CC=CC=C1 M10223405P [0,1,0,0,0,0|3,0,0]=4 59 B10R1.15 NCC(O)C1=CC=CC=C1 M10108745P [0,1,0,0,0,0|3,0,0]=4 60 B10R1.15 NCC(O)C1=CC=CN=C1 M11170969P [0,1,0,0,0,0|2,0,0]=3 61 B10R1.15 NC[C@H](O)C1=CC=CN=C1 M10096144P [0,1,0,0,0,0|2,0,0]=3 62 B10R1.15 N[C@@H](C1=CC=CC=C1)CO M10168325P [0,1,0,0,0,0|2,1,0]=4 63 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [0,1,0,0,0,0|3,0,0]=4 64 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [0,1,0,0,0,0|3,0,0]=4 65 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [0,1,0,0,0,0|2,0,0]=3 66 B10R1.17 NCCCC1=CN=CN=C1 M12277480P [0,1,0,0,0,0|3,0,0]=4 67 B10R1.17 NCCNC1=CC=CC=C1 M10034407P [0,1,0,0,0,0|3,0,0]=4 68 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [0,1,0,0,0,0|3,0,0]=4 69 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [0,1,0,0,0,0|1,1,1]=4 70 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [0,1,0,0,0,0|2,1,0]=4 71 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [0,1,0,0,0,0|2,1,0]=4 72 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [0,1,0,0,0,0|2,1,0]=4 73 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [0,1,0,0,0,0|2,1,0]=4 74 B10R2.7 C12=C(NCC1)C=CC=C2 M10012277P [0,0,0,1,0,0|3,0,0]=4 75 B10R2.7 C12=NC=CN=C1NC=C2 M10192276P [0,0,0,1,0,0|1,0,2]=4 76 B10R2.7 C=12CNCC1C=CN=C2 M10082704P [0,0,0,1,0,0|3,0,0]=4 77 B10R2.7 C=12NCCC1C=CN=C2 M10951399P [0,0,0,1,0,0|3,0,0]=4 78 B8R1.8 BrCCC1=CC=CS1 M10194071P [0,0,0,0,1,0|2,0,0]=3 79 B8R1.8 CCCN1N=CC=C1 M10217397P [0,0,0,0,1,0|2,0,0]=3 80 B8R1.8 CCOC1=NC=CS1 M10138070P [0,0,0,0,1,0|3,0,0]=4 81 B8R1.8 COCN1C=CN=C1 M10164190P [0,0,0,0,1,0|3,0,0]=4 82 B8R1.8 ClCCC1=NN=NN1 M10157141P [0,0,0,0,1,0|3,0,0]=4 83 B8R1.8 ClCCN1C=CN=C1 M10158400P [0,0,0,0,1,0|2,0,0]=3 84 B8R1.8 N#CCN1C=CN=C1 M10636328P [0,0,0,0,1,0|2,0,1]=4 85 B8R1.8 NCCC1=CNC=N1 M10000170P [0,0,0,0,1,0|1,0,1]=3 86 B8R1.8 NCCC1=CSC=C1 M10306606P [0,0,0,0,1,0|2,0,0]=3 87 B8R1.8 NCCC1=NC=CN1 M10159749P [0,0,0,0,1,0|1,0,1]=3 88 B7R1.3 BrC1=CC=CN=C1 M10197004P [2,0,0,0,0,0|2,0,0]=4 89 B7R1.3 BrC1=NC=CC=C1 M10003585P [2,0,0,0,0,0|2,0,0]=4 90 B7R1.3 BrC1=NC=CN=C1 M10288341P [2,0,0,0,0,0|1,0,0]=3 91 B7R1.3 CC1=NN=CC=C1 M10033962P [2,0,0,0,0,0|2,0,0]=4 92 B7R1.3 FC1=NC=CN=C1 M10067536P [2,0,0,0,0,0|1,0,0]=3 93 B7R1.3 IC1=NC=CN=C1 M10216073P [2,0,0,0,0,0|1,0,0]=3 94 B7R1.3 NC1=NC=CC=C1 M10192677P [2,0,0,0,0,0|2,0,0]=4 95 B7R1.3 NC1=NC=CN=N1 M10027198P [2,0,0,0,0,0|2,0,0]=4 96 B7R1.3 OC1=NC=CN=C1 M10086016P [2,0,0,0,0,0|0,1,0]=3 97 B7R1.3 SC1=CC=CC=C1 M10003579P [2,0,0,0,0,0|2,0,0]=4 98 B7R1.3 [O-]C1=CC=CN=C1 M10265709P [2,0,0,0,0,0|1,1,0]=4 99 B9R1.1 BrCC1=CN=C(Br)C=C1 M10646101P [1,1,0,0,0,0|2,0,0]=4 100 B9R1.1 CC1=CN=C(CCl)C=C1 M10020245P [1,1,0,0,0,0|2,0,0]=4 101 B9R1.1 CC1=NC=C(CBr)C=C1 M10944411P [1,1,0,0,0,0|2,0,0]=4 102 B9R1.1 CC1=NC=C(CCl)C=C1 M10664175P [1,1,0,0,0,0|2,0,0]=4 103 B9R1.1 CCC1=NC=C(Br)C=C1 M10237559P [1,1,0,0,0,0|1,0,0]=3 104 B9R1.1 COC1=CN=C(Br)C=C1 M10657138P [1,1,0,0,0,0|2,0,0]=4 105 B9R1.1 CSC1=CN=C(Br)C=N1 M11096900P [1,1,0,0,0,0|1,0,0]=3 106 B9R1.1 IC1=CN=C(OC)C=C1 M10124057P [1,1,0,0,0,0|2,0,0]=4 107 B9R1.1 NC1=CC=C(CC)N=C1 M10723729P [1,1,0,0,0,0|1,0,0]=3 108 B9R1.1 NC1=CN=C(NC)C=C1 M10200529P [1,1,0,0,0,0|2,0,0]=4 109 B9R1.1 NCC1=CC=C(Br)N=C1 M10711508P [1,1,0,0,0,0|2,0,0]=4 110 B9R1.1 O=CC1=NC=C(Cl)N=C1 M10543017P [1,1,0,0,0,0|0,1,1]=4 111 B9R1.1 OCC1=CC=C(C)N=C1 M10222716P [1,1,0,0,0,0|1,1,0]=4 112 B9R1.1 OCC1=CN=C(Br)C=C1 M10714795P [1,1,0,0,0,0|1,1,0]=4 113 B9R1.1 OCC1=NC=C(F)C=C1 M10960625P [1,1,0,0,0,0|1,1,0]=4 114 B9R1.1 SC1=CC=C(CC)C=C1 M10067515P [1,1,0,0,0,0|2,0,0]=4 115 B9R1.2 BrCC1=CC=CC(Br)=N1 M10489838P [1,1,0,0,0,0|2,0,0]=4 116 B9R1.2 CC1=CC(CCl)=NC=C1 M10444009P [1,1,0,0,0,0|2,0,0]=4 117 B9R1.2 CC1=CC=CC(CC)=N1 M10027285P [1,1,0,0,0,0|1,0,0]=3 118 B9R1.2 CC1=CN=CC(CCl)=C1 M11092291P [1,1,0,0,0,0|2,0,0]=4 119 B9R1.2 CC1=CN=CC(NN)=N1 M10162979P [1,1,0,0,0,0|2,0,0]=4 120 B9R1.2 CNC1=CC(Br)=CN=C1 M12277746P [1,1,0,0,0,0|2,0,0]=4 121 B9R1.2 COC1=CC=CC(F)=N1 M10700396P [1,1,0,0,0,0|2,0,0]=4 122 B9R1.2 COC1=NC=CC(I)=C1 M10634449P [1,1,0,0,0,0|2,0,0]=4 123 B9R1.2 CSC1=CC=CC(Br)=N1 M10454533P [1,1,0,0,0,0|2,0,0]=4 124 B9R1.2 N#CC1=NC(N)=CN=C1 M10307778P [1,1,0,0,0,0|1,0,1]=4 125 B9R1.2 NC1=NC(OC)=CN=C1 M10097094P [1,1,0,0,0,0|1,0,0]=3 126 B9R1.2 NCC1=NC(C)=CC=C1 M10094154P [1,1,0,0,0,0|2,0,0]=4 127 B9R1.2 NCC1=NC=CC(Br)=C1 M10091425P [1,1,0,0,0,0|2,0,0]=4 128 B9R1.2 OC1=CC=CC(CC)=C1 M10016438P [1,1,0,0,0,0|2,0,0]=4 129 B9R1.2 OCC1=NC(F)=CC=C1 M10857387P [1,1,0,0,0,0|1,1,0]=4 130 B9R1.2 OCC1=NC=CC(Br)=C1 M10733744P [1,1,0,0,0,0|1,1,0]=4 131 B9R1.6 CC(N)C1=NC=CC=C1 M10247824P [1,1,0,0,0,0|1,0,0]=3 132 B9R1.6 CC(N)C1=NC=CN=C1 M10807558P [1,1,0,0,0,0|0,0,0]=2 133 B9R1.6 CC(O)C1=CC=CN=C1 M10066006P [1,1,0,0,0,0|1,0,0]=3 134 B9R1.6 C[C@@H](N)C1=NC=CC=C1 M10251364P [1,1,0,0,0,0|1,0,0]=3 135 B9R1.6 C[C@H](N)C1=NC=CC=C1 M10199865P [1,1,0,0,0,0|1,0,0]=3 136 B9R1.6 NC(C)C1=CC=CC=C1 M10209842P [1,1,0,0,0,0|2,0,0]=4 137 B9R1.6 S=C(C1=NC=CN=C1)N M10064748P [1,1,0,0,0,0|0,0,2]=4 138 B9R1.15 CC1=C(CBr)C=NC=C1 M10141630P [1,1,0,0,0,0|2,0,0]=4 139 B9R1.15 CNC1=CC=CN=C1Cl M10244388P [1,1,0,0,0,0|2,0,0]=4 140 B9R1.15 COC1=NC=CN=C1Cl M10241827P [1,1,0,0,0,0|1,0,0]=3 141 B9R1.15 CSC1=NC=CN=C1C M10428474P [1,1,0,0,0,0|1,0,0]=3 142 B9R1.15 N#CC1=NC=CN=C1Cl M10283266P [1,1,0,0,0,0|1,0,1]=4 143 B9R1.15 NCC1=NC=CN=C1Cl M10007725P [1,1,0,0,0,0|1,0,0]=3 144 B9R1.15 NNC1=NC=CN=C1Cl M10391065P [1,1,0,0,0,0|2,0,0]=4 145 B9R1.15 OCC1=NC=CC=C1N M10264876P [1,1,0,0,0,0|1,1,0]=4 146 B9R1.15 OCC1=NC=CC=C1O M10129274P [1,1,0,0,0,0|1,1,0]=4 147 B9R1.7 CC1=NC(CCN)=CN1 M10230514P [0,1,0,0,1,0|1,0,1]=4 148 B9R1.12 CCCCC1=CC=CS1 M10031024P [0,1,0,0,1,0|2,0,0]=4 149 B9R1.12 CNCCN1N=CN=C1 M10868272P [0,1,0,0,1,0|2,0,0]=4 150 B9R1.12 CSSCC1=CC=CO1 M10295500P [0,1,0,0,1,0|2,0,0]=4 151 B9R1.12 ClCCCN1C=CN=C1 M10272299P [0,1,0,0,1,0|2,0,0]=4 152 B9R1.13 CC(N)CC1=CC=CO1 M10295935P [0,1,0,0,1,0|2,0,0]=4 153 B9R1.33 CC1=NC=CN1CCN M10690687P [0,1,0,0,1,0|2,0,0]=4 154 B11R1.1 CCNCC1=CC=C(Cl)N=C1 M10711490P [0,2,0,0,0,0|2,0,0]=4 155 B11R1.16 CN(CCO)C1=NC=CC=C1 M10714827P [0,2,0,0,0,0|1,1,0]=4 156 B11R1.16 O=C(C1=NC=CN=C1)OCC M10097264P [0,2,0,0,0,0|1,0,1]=4 157 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [0,2,0,0,0,0|1,1,0]=4 158 B9R2.50 C12=CC=CC=C1CC2 M10018631P [1,0,0,1,0,0|2,0,0]=4 159 B9R2.2 N1(C2CC2)C=CN=C1 M10739573P [0,0,0,1,1,0|2,0,0]=4 160 B11R2.36 BrC1=CC=2NCCC2C=N1 M12277911P [0,1,0,1,0,0|2,0,0]=4 161 B11R2.36 BrC1=CN=C2C(CCC2)=C1 M10786314P [0,1,0,1,0,0|2,0,0]=4 162 B11R2.36 BrC1=CN=C2NCCC2=C1 M10697102P [0,1,0,1,0,0|2,0,0]=4 163 B11R2.20 C12=C(N=CC=N1)CCCC2 M10223803P [0,1,0,1,0,0|1,0,0]=3 164 B11R2.20 C12=NC=CC=C1NCCC2 M10127936P [0,1,0,1,0,0|2,0,0]=4 165 B11R2.20 C12=NC=CC=C1OCCO2 M10729372P [0,1,0,1,0,0|1,1,0]=4 166 B11R2.1 NC1CCC2=CC=CN=C21 M10109508P [0,1,0,1,0,0|2,0,0]=4 167 B11R2.1 O=C1CCC2=CC=CN=C21 M10212882P [0,1,0,1,0,0|1,1,0]=4 168 B11R2.1 O=C1CCC2=NC=CC=C21 M10202756P [0,1,0,1,0,0|1,1,0]=4 169 B7R1.1 BrCC1=CC=CO1 M10063276P [1,0,0,0,1,0|2,0,0]=4 170 B7R1.1 BrCC1=NNC=C1 M10649267P [1,0,0,0,1,0|2,0,0]=4 171 B7R1.1 CCC1=NC=CS1 M10138064P [1,0,0,0,1,0|1,0,0]=3 172 B7R1.1 CCN1N=CC=C1 M10047966P [1,0,0,0,1,0|1,0,0]=3 173 B7R1.1 CCN1N=CN=C1 M10145084P [1,0,0,0,1,0|1,0,0]=3 174 B7R1.1 CSC1=NC=CS1 M10068366P [1,0,0,0,1,0|2,0,0]=4 175 B7R1.1 ClCC1=CC=CS1 M10020165P [1,0,0,0,1,0|2,0,0]=4 176 B7R1.1 ClCC1=CSC=N1 M10109961P [1,0,0,0,1,0|2,0,0]=4 177 B7R1.1 ClCC1=NC=CO1 M10813721P [1,0,0,0,1,0|2,0,0]=4 178 B7R1.1 ClCN1N=CN=C1 M10496689P [1,0,0,0,1,0|2,0,0]=4 179 B7R1.1 NCC1=CC=CN1 M10405721P [1,0,0,0,1,0|1,0,1]=4 180 B7R1.1 NCC1=CN=CO1 M10111263P [1,0,0,0,1,0|2,0,0]=4 181 B7R1.1 NCC1=CN=CS1 M10790734P [1,0,0,0,1,0|2,0,0]=4 182 B7R1.1 NCC1=CNN=C1 M10233809P [1,0,0,0,1,0|2,0,0]=4 183 B7R1.1 NCC1=CNN=C1 M11111217P [1,0,0,0,1,0|2,0,0]=4 184 B7R1.1 NCC1=NC=CO1 M11020248P [1,0,0,0,1,0|2,0,0]=4 185 B7R1.1 NCC1=NC=CS1 M10283798P [1,0,0,0,1,0|2,0,0]=4 186 B7R1.1 NCC1=NNC=C1 M10233808P [1,0,0,0,1,0|2,0,0]=4 187 B7R1.1 NCC1=NOC=C1 M10109645P [1,0,0,0,1,0|2,0,0]=4 188 B7R1.1 OCC1=CNC=N1 M10021336P [1,0,0,0,1,0|0,1,1]=4 189 B7R1.1 OCC1=NC=CO1 M10731569P [1,0,0,0,1,0|1,1,0]=4 190 B7R1.1 OCC1=NNC=C1 M10180756P [1,0,0,0,1,0|1,1,0]=4 191 B7R1.1 SCC1=CC=CS1 M10085524P [1,0,0,0,1,0|1,0,0]=3