0 B9R1.12 BrCCCN1C=CC=N1 BB12-3122 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.12 BrCCCN1C=CN=C1 BB57-3667 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 CCCCN1C=CN=C1 BB12-1487 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.12 CCNCC1=CC=CO1 BB01-4781 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.12 CCNCC1=CSC=N1 BB12-3138 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.12 CCNCC1=NC=CN1 BB55-8371 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.12 CCNCC1=NC=CS1 BB55-8358 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.12 CNCCC1=CC=CS1 BB55-8320 [0,0,0,0,0,0|1,1,0]=2 8 B9R1.12 CNCCC1=CNN=C1 BB01-4435 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.12 ClCCCC1=CNN=C1 BB58-3085 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.12 NCCCC1=CC=CO1 BB01-5828 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.12 NCCCC1=CNN=C1 BB05-4888 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.12 NCCCC1=CNN=C1 BB55-6199 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.12 NCCCC1=NC=CN1 BB57-3660 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.12 NCCCN1C=CC=N1 BB56-2920 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.12 NCCCN1C=CN=C1 BB05-2317 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.12 NCCCN1C=NC=N1 BB12-1299 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.12 O=C=NCC1=CC=CS1 BB12-1538 [0,0,0,0,0,0|2,1,1]=4 18 B9R1.12 OCCCC1=CNN=C1 BB05-4880 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.12 OCCCC1=CNN=C1 BB57-2164 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 BrCCN1C=CC=N1 BB55-6368 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.8 CCCC1=CC=CS1 BB05-4767 [1,0,0,0,0,0|0,1,0]=2 22 B8R1.8 CCCC1=CNN=C1 BB12-3540 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 CCCN1C=CN=C1 BB12-1504 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.8 CNCC1=CC=NN1 BB05-3097 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.8 CNCC1=CC=NN1 BB57-2508 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 CNCC1=CN=CS1 BB58-0523 [1,0,0,0,0,0|2,1,0]=4 27 B8R1.8 CNCC1=NC=CN1 BB55-8370 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.8 CNCC1=NC=CS1 BB55-8215 [1,0,0,0,0,0|2,1,0]=4 29 B8R1.8 COCC1=NC=CN1 BB58-3125 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.8 NCCC1=CSC=C1 BB55-8410 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.8 NCCC1=CSC=N1 BB58-4849 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.8 NCCC1=NC=CN1 BB12-2787 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.8 NCCC1=NNC=C1 BB57-2155 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.8 NCCN1C=CC=C1 BB57-3156 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.16 CC1=CN(CCCN)N=C1 BB05-1109 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.16 CC1=CN(CCCO)N=C1 BB05-2439 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.16 CC1=NN(CCCN)C=C1 BB05-1110 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.16 CC1=NN(CCCN)C=C1 BB57-3144 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.16 CC1=NN(CCCO)C=C1 BB05-2438 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.16 CC1=NOC(CCCN)=N1 BB53-1812 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.16 CCCCN1C=CC(N)=N1 BB05-2478 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.16 CCCCN1C=CC(N)=N1 BB57-3148 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.16 CCNCC1=NC(C)=CS1 BB55-8388 [0,1,0,0,0,0|2,1,0]=4 45 B10R1.16 CCOCN1C=C(N)C=N1 BB05-2011 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.16 NCCCC1=CSC(N)=N1 BB12-2945 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.16 NCCCN1C=C(Br)C=N1 BB05-4561 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.16 NCCCN1C=C(Cl)C=N1 BB05-1112 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.16 NCCCN1C=C(Cl)C=N1 BB55-6510 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.16 OCCCN1C=C(Br)C=N1 BB05-2444 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.16 OCCCN1C=C(Br)C=N1 BB55-3001 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.16 OCCCN1C=C(Cl)C=N1 BB05-2440 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.21 CNCCCC1=CNN=C1 BB55-6198 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.21 NCCSCC1=CC=CO1 BB58-0598 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.21 OCCNCC1=CC=CS1 BB55-8220 [0,1,0,0,0,0|1,1,0]=3 56 B10R1.21 S=C=NCCC1=CC=CS1 BB55-6127 [0,1,0,0,0,0|1,1,1]=4 57 B10R1.27 CC(CN)CN1C=CC=N1 BB05-2465 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.27 CCC(=O)CC1=CC=CO1 BB54-3617 [0,1,0,0,0,0|0,0,1]=2 59 B10R1.27 CCC(N)CN1C=CN=C1 BB54-1376 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.29 CC1=CC=NN1CCCN BB05-1111 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.29 CC1=CC=NN1CCCO BB05-2437 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.29 CCNCC1=NC=CN1C BB57-1488 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.29 CCOCC1=C(C)NC=N1 BB58-0787 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.29 CN1C=CN=C1CCCN BB58-3659 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [0,1,0,0,0,0|0,0,3]=4 66 B10R1.66 CC(C)NCC1=CN=CS1 BB55-8302 [0,1,0,0,0,0|2,1,0]=4 67 B10R1.66 CC(C)NCC1=NC=CN1 BB55-8290 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.66 CC(N)CCC1=CC=CO1 BB05-2102 [0,1,0,0,0,0|0,0,0]=1 69 B10R1.66 NC(=O)NCC1=CC=CO1 BB01-7602 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.66 O=C(O)CCC1=CC=NO1 BB54-1995 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 BB01-2590 [0,1,0,0,0,0|2,0,0]=3 72 B10R2.7 C1=C2CCCCC2=NN1 BB12-4186 [0,0,0,1,0,0|2,0,0]=3 73 B10R2.7 C1=C2CCOCC2=NN1 BB12-0060 [0,0,0,1,0,0|3,0,0]=4 74 B10R2.7 C1=C2CNCCC2=NN1 BB55-6323 [0,0,0,1,0,0|3,0,0]=4 75 B10R2.7 C1=C2CNCCC2=NO1 BB58-2194 [0,0,0,1,0,0|3,0,0]=4 76 B10R2.7 C1=CC2=C(CCCC2)S1 BB58-0529 [0,0,0,1,0,0|0,1,0]=2 77 B10R2.7 C1=CN2CCNCC2=C1 BB55-4551 [0,0,0,1,0,0|2,0,0]=3 78 B10R2.7 C1=NN2CCNCC2=C1 BB31-3301 [0,0,0,1,0,0|3,0,0]=4 79 B10R2.7 C1=NN=C2CCCCN12 BB12-2789 [0,0,0,1,0,0|3,0,0]=4 80 B10R2.7 C1=NNC2=C1COCC2 BB58-1150 [0,0,0,1,0,0|3,0,0]=4 81 B10R2.136 C1=CN(C2CNC2)N=C1 BB58-3761 [0,0,0,1,0,0|3,0,0]=4 82 B10R2.136 C1=NC(C2CCC2)=NN1 BB12-3397 [0,0,0,1,0,0|3,0,0]=4 83 B10R1.17 BrCCCC1=CN=CC=C1 BB54-3595 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.17 BrCCOC1=CC=CC=C1 BB17-1654 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.17 ClCCCC1=CC=NC=C1 BB57-3431 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.17 N#CCCC1=NC=CC=C1 BB12-1756 [0,0,0,0,0,1|2,0,1]=4 87 B10R1.17 NCCCC1=CC=CC=N1 BB54-0788 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.17 NCCCC1=CC=NC=C1 BB57-3430 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.17 OCCCC1=CC=NC=C1 BB57-6720 [0,0,0,0,0,1|2,0,0]=3 90 B10R1.17 [C-]#[N+]CCC1=CC=NC=C1 BB56-1803 [0,0,0,0,0,1|2,0,1]=4 91 B7R1.1 CCC1=NNC=C1 BB12-3522 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.7 CCCC1=NC(Br)=CN1 BB12-3517 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.7 CCCC1=NC(N)=NO1 BB12-3446 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.7 CCCC1=NN=C(O)O1 BB12-3090 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.7 CCCN1C=C(N)C=N1 BB05-4006 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.7 CCCN1C=C(N)C=N1 BB12-1645 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.7 CCCN1C=CC(N)=N1 BB05-2156 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.7 CCCN1C=CC(N)=N1 BB55-3923 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.7 CNCC1=CC(C)=NO1 BB05-4335 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.7 CNCC1=CC(C)=NO1 BB55-3950 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.7 CNCC1=CC=C(Br)S1 BB31-7407 [1,1,0,0,0,0|1,1,0]=4 102 B9R1.11 CCC(N)C1=NC=CS1 BB55-8407 [1,1,0,0,0,0|1,1,0]=4 103 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [1,1,0,0,0,0|0,1,1]=4 104 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.13 CC(N)CC1=CC=CO1 BB01-4437 [1,1,0,0,0,0|0,0,0]=2 106 B9R1.13 CC(N)CC1=CC=CO1 BB05-3274 [1,1,0,0,0,0|0,0,0]=2 107 B9R1.13 CC(N)CN1C=CC=N1 BB57-3060 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.13 CN(C)CC1=CC=CN1 BB12-1785 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.33 CCCN1N=CC=C1Br BB58-1975 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.33 CCCN1N=CC=C1C BB58-2011 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.33 CN1C=CC=C1CCO BB90-0117 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.33 CNCC1=CC=CN1C BB55-8233 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.1 NCCCC1=CC=C(Cl)C=C1 BB54-2040 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.1 NCCCC1=CC=C(F)C=C1 BB58-0570 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.16 CNCC(O)C1=CC=CC=C1 BB12-2195 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.16 OC(CCCl)C1=CC=CC=C1 BB12-1401 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.17 NCCCC1=C(Cl)C=CC=C1 BB58-0571 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.24 CC1=CC=CC(CCCN)=C1 BB58-0568 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.24 CC1=CC=CC(CCCO)=C1 BB31-8239 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.24 CCCOC1=CC=NC(S)=N1 BB53-1607 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.24 CCNCC1=NC(C)=NC=C1 BB55-8309 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.24 ClC1=CC=CC(CCCBr)=C1 BB31-7544 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.28 N#CCCCC1=NC=CC=C1 BB54-3757 [0,1,0,0,0,1|1,0,1]=4 126 B11R1.28 NCCCCC1=NC=CC=C1 BB54-4080 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.28 NCCOCC1=CC=CC=C1 BB55-4803 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.28 NCCSCC1=CC=CC=C1 BB53-1385 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.28 OCCNCC1=CC=CC=C1 BB17-0809 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.40 CCC(N)CC1=CC=CC=C1 BB17-0798 [0,1,0,0,0,1|1,0,0]=3 131 B11R1.40 CNC(C)CC1=NC=CN=C1 BB55-6192 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.40 NC(CO)CC1=CC=CC=C1 BB01-6619 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.91 CC(N)COC1=CC=CC=C1 BB58-0599 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 BB55-2911 [0,2,0,0,0,0|1,0,1]=4 135 B11R1.75 CC1=CC=C(CNC(C)C)O1 BB55-8288 [0,2,0,0,0,0|1,0,0]=3 136 B11R1.230 CCCCC1=C(C)NC(=S)N1 BB54-0912 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.231 CCCCN1C=C(Br)C(N)=N1 BB05-2485 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.4 CCCCNCC1=CC=CS1 BB53-1762 [0,2,0,0,0,0|0,1,0]=3 139 B11R1.4 ClCCCCCC1=CC=CS1 BB54-1790 [0,2,0,0,0,0|0,1,0]=3 140 B11R1.25 NCC(=O)NCC1=CC=CO1 BB53-1842 [0,2,0,0,0,0|1,0,1]=4 141 B11R1.172 CC(C)CNCC1=NC=CN1 BB55-8372 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.172 CC(C)CNCC1=NC=CS1 BB55-8359 [0,2,0,0,0,0|1,1,0]=4 143 B11R1.172 CC(O)CNCC1=NC=CS1 BB55-8361 [0,2,0,0,0,0|1,1,0]=4 144 B11R1.510 CS(=O)(=O)NCC1=CC=CO1 BB17-1504 [0,2,0,0,0,0|2,0,0]=4 145 B9R2.2 C1=NNC(C2CC2)=C1 BB57-2116 [1,0,0,1,0,0|2,0,0]=4 146 B9R2.3 C1=C2CCCC2=NN1 BB12-4185 [1,0,0,1,0,0|2,0,0]=4 147 B9R2.3 C1=CN2CCC[N+]2=C1 BB57-2249 [1,0,0,1,0,0|2,0,0]=4 148 B9R2.3 C1=NC2=C(CCC2)N1 BB58-0897 [1,0,0,1,0,0|2,0,0]=4 149 B9R2.3 C1=NNC2=C1CCC2 BB54-4738 [1,0,0,1,0,0|2,0,0]=4 150 B11R2.20 C1=CC2=C(C=N1)CNCC2 BB32-2671 [0,0,0,1,0,1|2,0,0]=4 151 B11R2.238 C1=CC=C(NC2CC2)C=C1 BB32-1778 [0,0,0,1,0,1|2,0,0]=4 152 B11R2.2 C1=CC(C2CCCN2)=NO1 BB57-1444 [0,1,0,1,0,0|2,0,0]=4 153 B11R2.2 C1=CN(C2CCNC2)N=C1 BB58-3632 [0,1,0,1,0,0|2,0,0]=4 154 B11R2.2 C1=COC(C2CCCN2)=C1 BB05-3960 [0,1,0,1,0,0|0,0,0]=2 155 B11R2.2 C1=COC(C2CCCN2)=C1 BB56-0036 [0,1,0,1,0,0|0,0,0]=2 156 B11R2.2 C1=CSC(C2CCCN2)=C1 BB05-3961 [0,1,0,1,0,0|0,1,0]=3 157 B11R2.2 C1=CSC(C2CCCN2)=C1 BB55-3981 [0,1,0,1,0,0|0,1,0]=3 158 B11R2.2 C1=CSC(C2CCCN2)=N1 BB56-0885 [0,1,0,1,0,0|1,1,0]=4 159 B11R2.2 C1=NC(C2CCNC2)=CN1 BB58-0331 [0,1,0,1,0,0|2,0,0]=4 160 B11R2.2 C1=NNC(C2CCCN2)=C1 BB57-1411 [0,1,0,1,0,0|2,0,0]=4 161 B11R2.2 C1=NOC(C2CCCN2)=C1 BB58-0383 [0,1,0,1,0,0|1,0,0]=3 162 B11R2.10 ClC1=NC2=C(CCCC2)N1 BB52-6914 [0,1,0,1,0,0|2,0,0]=4 163 B11R2.10 NC1=NC2=C(CCCC2)S1 BB56-1662 [0,1,0,1,0,0|1,1,0]=4 164 B11R2.10 O=C1NC2=C(CCCC2)N1 BB57-3250 [0,1,0,1,0,0|2,0,0]=4 165 B11R2.351 NC1=NN(CC2CC2)C=C1 BB05-3809 [0,1,0,1,0,0|2,0,0]=4 166 B11R2.352 BrC1=NOC(C2CCC2)=N1 BB57-2437 [0,1,0,1,0,0|2,0,0]=4 167 B11R2.352 NC1=NOC(C2CCC2)=N1 BB57-2434 [0,1,0,1,0,0|2,0,0]=4 168 B11R2.352 OC1=NN=C(C2CCC2)O1 BB12-2989 [0,1,0,1,0,0|2,0,0]=4 169 B11R2.18 C1=NNC2=C1CCCCC2 BB54-5724 [0,1,0,1,0,0|2,0,0]=4 170 B11R2.385 C1=CNC(CNC2CC2)=C1 BB57-0376 [0,1,0,1,0,0|1,0,0]=3 171 B11R2.385 C1=CNC(CNC2CC2)=N1 BB55-8291 [0,1,0,1,0,0|2,0,0]=4 172 B11R2.385 C1=CSC(CNC2CC2)=N1 BB55-8300 [0,1,0,1,0,0|1,1,0]=4 173 B11R2.385 C1=NC=C(CNC2CC2)S1 BB55-8303 [0,1,0,1,0,0|1,1,0]=4 174 B11R2.36 NC1CCC2=C(C=NN2)C1 BB58-0695 [0,1,0,1,0,0|2,0,0]=4