0 B9R1.15 CC1=C(CBr)N=CC=C1 B016007 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.15 CC1=C(CBr)N=CC=C1 B062311 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.15 COC1=CC=CN=C1O B039509 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.15 NC1=NC=CC=C1C=O B049085 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 NCC1=NC=CN=C1 B050555 [1,0,0,0,0,0|1,0,0]=2 5 B8R1.5 ClC1=C(I)C=CC=N1 B050034 [1,0,0,0,0,0|3,0,0]=4 6 B8R1.5 NC1=C(Br)C=CC=N1 B049992 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.11 C#CC1=CC=NN1C B051427 [0,0,0,0,1,0|1,0,2]=4 9 B8R1.11 C(=O)C1=NC=NN1C B052001 [0,0,0,0,1,0|2,0,1]=4 10 B8R1.11 CC1=C(CBr)SC=N1 B059808 [0,0,0,0,1,0|2,0,0]=3 11 B8R1.11 CC1=C(CN)SN=N1 B037979 [0,0,0,0,1,0|3,0,0]=4 12 B8R1.11 CC1=C(CO)N=CN1 B037486 [0,0,0,0,1,0|1,0,1]=3 13 B8R1.11 CC1=C(CO)SC=N1 B059809 [0,0,0,0,1,0|2,0,0]=3 14 B8R1.11 CC1=C(CO)SN=N1 B037631 [0,0,0,0,1,0|3,0,0]=4 15 B8R1.11 CC1=CNN=C1CO B058953 [0,0,0,0,1,0|2,0,0]=3 16 B8R1.11 CC1=NNC=C1C#N B049606 [0,0,0,0,1,0|2,0,1]=4 17 B8R1.11 CC1=NNC=C1CN B049608 [0,0,0,0,1,0|2,0,0]=3 18 B8R1.11 CC1=NON=C1C#N B049626 [0,0,0,0,1,0|2,0,1]=4 19 B8R1.11 CC1=NON=C1CCl B006981 [0,0,0,0,1,0|2,0,0]=3 20 B8R1.11 CC1=NON=C1CN B049079 [0,0,0,0,1,0|2,0,0]=3 21 B8R1.11 CCC1=C(Br)C=NO1 B063493 [0,0,0,0,1,0|3,0,0]=4 22 B8R1.11 CCC1=C(I)C=NO1 B063495 [0,0,0,0,1,0|3,0,0]=4 23 B8R1.11 CCC1=CC=NN1C B037958 [0,0,0,0,1,0|1,0,0]=2 24 B8R1.11 CCC1=NNC=C1Br B063587 [0,0,0,0,1,0|2,0,0]=3 25 B8R1.11 CCC1=NNC=C1I B063588 [0,0,0,0,1,0|2,0,0]=3 26 B8R1.11 CCN1C=NC=C1C B051962 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.11 CCN1N=CC=C1Br B060135 [0,0,0,0,1,0|2,0,0]=3 28 B8R1.11 CCN1N=CC=C1C B006759 [0,0,0,0,1,0|1,0,0]=2 29 B8R1.11 CCN1N=CC=C1F B051209 [0,0,0,0,1,0|2,0,0]=3 30 B8R1.11 CCN1N=CC=C1I B051207 [0,0,0,0,1,0|2,0,0]=3 31 B8R1.11 CCN1N=CC=C1N B024267 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.11 CCN1N=CN=C1Br B052020 [0,0,0,0,1,0|2,0,0]=3 33 B8R1.11 CN1C=CN=C1C=O B038490 [0,0,0,0,1,0|2,0,1]=4 34 B8R1.11 CN1C=CN=C1CCl B049898 [0,0,0,0,1,0|2,0,0]=3 35 B8R1.11 CN1C=CN=C1NN B058942 [0,0,0,0,1,0|3,0,0]=4 36 B8R1.11 CN1N=CC=C1C#N B036485 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.11 CN1N=CC=C1C=O B007393 [0,0,0,0,1,0|2,0,1]=4 38 B8R1.11 CN1N=CC=C1CBr B052534 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.11 CN1N=CC=C1CCl B036160 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.11 CN1N=CC=C1CCl B062237 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.11 CN1N=CC=C1CN B007404 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.11 CN1N=CC=C1CO B030040 [0,0,0,0,1,0|2,0,0]=3 43 B8R1.11 CN1N=CC=C1NN B052580 [0,0,0,0,1,0|3,0,0]=4 44 B8R1.11 CN1N=CN=C1CO B052548 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.11 CN1N=CN=C1NN B052635 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.11 COC1=NON=C1N B036274 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.11 COC1=NON=C1O B050531 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.11 NCC1=NNC=C1I B047726 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.11 OCC1=NNC=C1I B047727 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.8 CNCC1=NC=CN=C1 B050431 [1,1,0,0,0,0|0,0,0]=2 53 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,1,0,0,0,0|1,0,0]=3 54 B9R1.69 CC1=C(Cl)N=CC(Br)=C1 B049974 [1,1,0,0,0,0|2,0,0]=4 55 B9R1.69 CC1=C(O)N=CC(Br)=C1 B049976 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.69 CC1=NC(C)=C(N)C=C1 B049993 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.69 CC1=NC(C)=C(O)C=C1 B049973 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.69 CC1=NC(N)=CC=C1I B049349 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.14 C#CC1=CC=NN1CC B052527 [0,1,0,0,1,0|1,0,1]=4 60 B9R1.14 C(=O)C1=NC=NN1CC B052022 [0,1,0,0,1,0|1,0,1]=4 61 B9R1.14 CCC1=CC=NN1CC B036770 [0,1,0,0,1,0|1,0,0]=3 62 B9R1.14 CCN1C=CN=C1C=O B046407 [0,1,0,0,1,0|1,0,1]=4 63 B9R1.14 CCN1C=CN=C1CN B059679 [0,1,0,0,1,0|1,0,0]=3 64 B9R1.14 CCN1C=CN=C1NN B058959 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.14 CCN1N=CC=C1C#N B037922 [0,1,0,0,1,0|1,0,1]=4 66 B9R1.14 CCN1N=CC=C1C=O B007399 [0,1,0,0,1,0|1,0,1]=4 67 B9R1.14 CCN1N=CC=C1CCl B037461 [0,1,0,0,1,0|1,0,0]=3 68 B9R1.14 CCN1N=CC=C1CCl B052540 [0,1,0,0,1,0|1,0,0]=3 69 B9R1.14 CCN1N=CC=C1CN B037147 [0,1,0,0,1,0|1,0,0]=3 70 B9R1.14 CCN1N=CC=C1CO B036482 [0,1,0,0,1,0|1,0,0]=3 71 B9R1.14 CCN1N=CC=C1NN B052559 [0,1,0,0,1,0|2,0,0]=4 72 B9R1.14 CCN1N=CN=C1CCl B057204 [0,1,0,0,1,0|1,0,0]=3 73 B9R1.14 CCN1N=CN=C1CO B058956 [0,1,0,0,1,0|1,0,0]=3 74 B9R1.14 CCN1N=CN=C1NN B052845 [0,1,0,0,1,0|2,0,0]=4 75 B9R1.22 CC1=CC(C)=NN1CO B015967 [0,1,0,0,1,0|2,0,0]=4 76 B9R1.22 CC1=CN(C)C(CO)=N1 B052647 [0,1,0,0,1,0|2,0,0]=4 77 B9R1.22 CC1=NN(C)C(CCl)=C1 B036473 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.22 CC1=NN(C)C(CN)=C1 B016070 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.22 CC1=NN(C)C(CO)=C1 B036104 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.22 CC1=NN(C)C=C1CN B001001 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.22 CC1=NN(C)C=C1CN B037095 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.22 CC1=NN(C)C=C1CO B000988 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.22 CCC1=NN(C)C=C1Br B063515 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.22 CCC1=NN(C)C=C1I B063517 [0,1,0,0,1,0|2,0,0]=4 85 B9R1.22 CCC1=NN(C)C=C1N B063504 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.22 CCC1=NN(C)C=C1N B063505 [0,1,0,0,1,0|2,0,0]=4 87 B9R1.22 CCN1N=C(Br)C=C1C B050947 [0,1,0,0,1,0|1,0,0]=3 88 B9R1.22 CCN1N=C(Br)C=C1N B062323 [0,1,0,0,1,0|2,0,0]=4 89 B9R1.22 CCN1N=C(C)C=C1C B035685 [0,1,0,0,1,0|1,0,0]=3 90 B9R1.22 CCN1N=C(C)C=C1F B052401 [0,1,0,0,1,0|2,0,0]=4 91 B9R1.22 CCN1N=C(C)C=C1N B022223 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.22 CCN1N=C(I)C=C1C B050966 [0,1,0,0,1,0|1,0,0]=3 93 B9R1.22 CCN1N=C(I)C=C1N B062330 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.22 CCN1N=C(N)C=C1Br B062348 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.22 CCN1N=C(N)C=C1C B020974 [0,1,0,0,1,0|1,0,0]=3 96 B9R1.22 CCN1N=C(N)C=C1I B062366 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.22 CN1N=C(I)C=C1CCl B062995 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.22 CN1N=C(I)C=C1CN B063005 [0,1,0,0,1,0|2,0,0]=4 99 B9R1.22 CN1N=C(I)C=C1CO B062985 [0,1,0,0,1,0|2,0,0]=4 100 B9R1.22 CN1N=C(N)C=C1CO B047622 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.27 CC1=C(CO)N(C)N=C1 B052576 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.27 CCC1=C(Br)C=NN1C B063523 [0,1,0,0,1,0|1,0,0]=3 103 B9R1.27 CCC1=C(I)C=NN1C B047740 [0,1,0,0,1,0|1,0,0]=3 104 B9R1.27 CCC1=C(N)C=NN1C B063526 [0,1,0,0,1,0|1,0,0]=3 105 B9R1.27 CN1N=CC(Br)=C1CCl B051114 [0,1,0,0,1,0|2,0,0]=4 106 B9R1.27 CN1N=CC(Br)=C1CN B037148 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.27 CN1N=CC(Br)=C1CO B047558 [0,1,0,0,1,0|2,0,0]=4 108 B9R1.27 CN1N=CC(Cl)=C1CCl B052537 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.27 CN1N=CC(Cl)=C1CN B020553 [0,1,0,0,1,0|2,0,0]=4 110 B9R1.27 CN1N=CC(Cl)=C1CO B047518 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.27 CN1N=CC(I)=C1CO B062176 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.33 CC1=CC=NN1CC#N B019510 [0,1,0,0,1,0|1,0,1]=4 113 B9R1.33 CC1=CC=NN1CCF B051641 [0,1,0,0,1,0|1,0,0]=3 114 B9R1.33 CC1=CC=NN1CCN B023879 [0,1,0,0,1,0|1,0,0]=3 115 B9R1.33 CCCN1N=CC=C1Br B052586 [0,1,0,0,1,0|2,0,0]=4 116 B9R1.33 CCCN1N=CC=C1C B030312 [0,1,0,0,1,0|1,0,0]=3 117 B9R1.33 CCCN1N=CC=C1I B051811 [0,1,0,0,1,0|2,0,0]=4 118 B9R1.33 CN1C=CN=C1CCN B059762 [0,1,0,0,1,0|1,0,0]=3 119 B9R1.33 CN1C=NN=C1CCN B039493 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.33 CN1C=NN=C1CCN B051824 [0,1,0,0,1,0|2,0,0]=4 121 B9R1.33 CN1N=CC=C1CC#N B037614 [0,1,0,0,1,0|1,0,1]=4 122 B9R1.33 CN1N=CC=C1CCN B047655 [0,1,0,0,1,0|1,0,0]=3 123 B9R1.33 CNCC1=C(C)N=CS1 B059739 [0,1,0,0,1,0|1,0,0]=3 124 B9R1.33 CNCC1=CC=NN1C B007412 [0,1,0,0,1,0|1,0,0]=3 125 B9R1.33 CNCC1=NON=C1C B049078 [0,1,0,0,1,0|1,0,0]=3 126 B9R1.33 COCC1=CC=NN1C B057755 [0,1,0,0,1,0|1,0,0]=3 127 B9R1.33 NC1=CC=NN1CCF B051755 [0,1,0,0,1,0|2,0,0]=4 128 B9R1.41 C(F)(F)C1=CC=NN1C B052488 [0,1,0,0,1,0|2,0,0]=4 129 B9R1.41 CC(=O)C1=CC=NN1C B017805 [0,1,0,0,1,0|1,0,1]=4 130 B9R1.41 CC(=O)C1=NON=C1C B048952 [0,1,0,0,1,0|1,0,1]=4 131 B9R1.41 CC(C)C1=CC=NN1C B063577 [0,1,0,0,1,0|1,0,0]=3 132 B9R1.41 CC(C)C1=NNC=C1Br B063589 [0,1,0,0,1,0|2,0,0]=4 133 B9R1.41 CC(C)C1=NNC=C1I B047692 [0,1,0,0,1,0|2,0,0]=4 134 B9R1.41 CC(C)N1N=CC=C1Br B051192 [0,1,0,0,1,0|2,0,0]=4 135 B9R1.41 CC(C)N1N=CC=C1I B051208 [0,1,0,0,1,0|2,0,0]=4 136 B9R1.41 CC(C)N1N=CC=C1N B024270 [0,1,0,0,1,0|2,0,0]=4 137 B9R1.41 CC(C)N1N=CN=C1Br B051950 [0,1,0,0,1,0|2,0,0]=4 138 B9R1.41 CC(N)C1=CC=NN1C B019556 [0,1,0,0,1,0|1,0,0]=3 139 B9R1.41 CC(N)C1=NN=CN1C B050685 [0,1,0,0,1,0|2,0,0]=4 140 B9R1.41 CC1=CC=NN1C(C)C B036101 [0,1,0,0,1,0|1,0,0]=3 141 B9R1.41 CC1=CC=NN1C(F)F B017760 [0,1,0,0,1,0|2,0,0]=4 142 B9R1.41 CC1=CNN=C1C(F)F B047169 [0,1,0,0,1,0|2,0,0]=4 143 B9R1.132 CC1=CN=C(CO)N1C B052645 [0,1,0,0,1,0|2,0,0]=4 144 B9R1.132 CCC1=NN=C(S)N1C B015689 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.132 CCN1N=CC(Br)=C1C B040739 [0,1,0,0,1,0|1,0,0]=3 146 B9R1.132 CCN1N=CC(Br)=C1F B051220 [0,1,0,0,1,0|2,0,0]=4 147 B9R1.132 CCN1N=CC(C)=C1N B047165 [0,1,0,0,1,0|2,0,0]=4 148 B9R1.132 CCN1N=CC(Cl)=C1C B040738 [0,1,0,0,1,0|1,0,0]=3 149 B9R1.132 CCN1N=CC(I)=C1C B047735 [0,1,0,0,1,0|1,0,0]=3 150 B9R1.132 CCN1N=CC(I)=C1F B051221 [0,1,0,0,1,0|2,0,0]=4 151 B9R1.132 CCN1N=CC(N)=C1C B014447 [0,1,0,0,1,0|1,0,0]=3 152 B9R1.132 CCN1N=CC(N)=C1C B017737 [0,1,0,0,1,0|1,0,0]=3 153 B9R1.132 CCN1N=CC(N)=C1C B037115 [0,1,0,0,1,0|1,0,0]=3 154 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.166 CC1=CC(C)=C(C(C)N)C=C1 B006832 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.11 CCC(=O)C1=NC=CS1 B059780 [0,0,1,1,0,0|2,0,0]=4 157 B11R2.36 O=C1C=C2CCCC2=NN1 B049049 [0,1,0,1,0,0|2,0,0]=4 158 B7R1.1 CCC1=CC=NO1 B063494 [1,0,0,0,1,0|1,0,0]=3 159 B7R1.1 CCC1=NNC=C1 B063501 [1,0,0,0,1,0|1,0,0]=3 160 B7R1.1 CCN1C=CC=N1 B006762 [1,0,0,0,1,0|1,0,0]=3 161 B7R1.1 CCN1C=CN=C1 B039755 [1,0,0,0,1,0|1,0,0]=3 162 B7R1.1 CCN1C=NC=N1 B051895 [1,0,0,0,1,0|1,0,0]=3 163 B7R1.1 ClCC1=CC=NO1 B049837 [1,0,0,0,1,0|2,0,0]=4 164 B7R1.1 ClCC1=CN=CS1 B059804 [1,0,0,0,1,0|2,0,0]=4 165 B7R1.1 ClCC1=CSC=N1 B039433 [1,0,0,0,1,0|2,0,0]=4 166 B7R1.1 ClCC1=NOC=C1 B049730 [1,0,0,0,1,0|2,0,0]=4 167 B7R1.1 NCC1=CN=CS1 B059797 [1,0,0,0,1,0|2,0,0]=4 168 B7R1.1 NCC1=CNN=C1 B047069 [1,0,0,0,1,0|2,0,0]=4 169 B7R1.1 NCC1=NC=CS1 B059667 [1,0,0,0,1,0|2,0,0]=4 170 B7R1.1 NCC1=NNC=C1 B014395 [1,0,0,0,1,0|2,0,0]=4 171 B7R1.1 OCC1=CNN=C1 B047363 [1,0,0,0,1,0|2,0,0]=4 172 B7R1.1 OCC1=NNC=C1 B047364 [1,0,0,0,1,0|2,0,0]=4 173 B7R1.4 CC1=C(C)ON=C1 B063491 [1,0,0,0,1,0|2,0,0]=4 174 B7R1.4 CC1=CC=NN1C B006758 [1,0,0,0,1,0|1,0,0]=3 175 B7R1.4 CC1=CNN=C1N B007334 [1,0,0,0,1,0|2,0,0]=4 176 B7R1.4 CC1=CNN=C1N B039349 [1,0,0,0,1,0|2,0,0]=4 177 B7R1.4 CC1=NC=CN1C B046339 [1,0,0,0,1,0|1,0,0]=3 178 B7R1.4 CC1=NNC=C1Br B030262 [1,0,0,0,1,0|2,0,0]=4 179 B7R1.4 CC1=NNC=C1Cl B020772 [1,0,0,0,1,0|2,0,0]=4 180 B7R1.4 CC1=NNC=C1I B047689 [1,0,0,0,1,0|2,0,0]=4 181 B7R1.4 CC1=NNC=C1N B047500 [1,0,0,0,1,0|2,0,0]=4 182 B7R1.4 CN1N=CC=C1Br B051184 [1,0,0,0,1,0|2,0,0]=4 183 B7R1.4 CN1N=CC=C1F B052471 [1,0,0,0,1,0|2,0,0]=4 184 B7R1.4 CN1N=CC=C1I B051213 [1,0,0,0,1,0|2,0,0]=4 185 B7R1.4 CN1N=CC=C1N B024266 [1,0,0,0,1,0|2,0,0]=4 186 B7R1.4 CN1N=CN=C1Br B051475 [1,0,0,0,1,0|2,0,0]=4