0 B11R1.83 CCNC1=CC=C(CC)C=C1 BB01-8199 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.83 CNC1=CC=C(SC#N)C=C1 BB57-5237 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.83 CNCC1=CC=C(CN)C=C1 BB32-1980 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.83 COC1=CC=C(CNN)C=C1 BB55-6542 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.83 COC1=CC=C(\C=N/O)C=C1 BB01-7427 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.1 CC1=CC=C(CON)C=C1 BB05-1789 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.1 CC1=CC=C(N=C=O)C=C1 BB01-6513 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 CNCC1=CC=C(Br)C=C1 BB57-3005 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 CNCC1=CC=C(O)C=C1 BB05-4614 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.1 N#CCC1=CC=C(N)C=C1 BB12-4851 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.1 NNCC1=CC=C(Cl)C=C1 BB57-4024 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.1 NNCC1=CC=C(F)C=C1 BB57-4012 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.1 O=CNC1=CC=C(F)C=C1 BB01-7521 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.1 [C-]#[N+]CC1=CC=C(Cl)C=C1 BB56-1770 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.3 C=CC1=CC=C(CC)C=C1 BB01-8156 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.3 CCC1=CC=C(NN)C=C1 BB01-8045 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.3 COC1=CC=C(NN)C=C1 BB01-6100 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.3 COC1=CC=C(NN)C=C1 BB56-2536 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.3 COC1=NC=C(C=O)C=N1 BB54-4202 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.3 N#CC1=CC=C(CCl)C=C1 BB54-0835 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.3 N#CC1=CC=C(CN)C=C1 BB01-7945 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.3 NCC1=CC=C(CO)C=C1 BB12-1471 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [1,0,0,0,0,0|1,0,2]=4 26 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 BB55-6334 [0,1,0,0,0,0|2,0,0]=3 27 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 BB57-2956 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.5 C#CC(=O)C1=CC=C(OC)C=C1 BB54-5201 [0,1,0,0,0,0|0,0,3]=4 29 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB26-0170 [0,1,0,0,0,0|1,0,2]=4 30 B12R1.5 CSC1=CC=C(C(N)CO)C=C1 BB56-2165 [0,1,0,0,0,0|1,1,1]=4 31 B12R1.71 C(=O)NCC1=CC=C(CC)C=C1 BB20-4803 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.71 COC1=CC=C(CCCN)C=C1 BB54-1986 [0,1,0,0,0,0|0,0,2]=3 33 B12R1.71 COC1=CC=C(NCCN)C=C1 BB55-6788 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.71 COC1=CC=C(OCCN)C=C1 BB54-1233 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.71 CSC1=CC=C(OCCN)C=C1 BB57-6447 [0,1,0,0,0,0|1,1,1]=4 36 B12R1.113 CC(C)C1=CC=C(CNN)C=C1 BB57-4033 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.113 CCCC1=CC=C(C(C)N)C=C1 BB05-0917 [0,1,0,0,0,0|1,0,2]=4 38 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 BB57-2920 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.116 CCNC1=CC=C(OCC)C=C1 BB01-5250 [0,1,0,0,0,0|1,0,2]=4 40 B12R1.116 [C-]#[N+]CC1=CC=C(OCC)C=C1 BB56-2765 [0,1,0,0,0,0|1,0,1]=3 41 B12R1.288 COC1=CC=C(N=C=O)C=C1Cl BB01-6578 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.288 COC1=CC=C(N=C=O)C=C1F BB01-6586 [0,1,0,0,0,0|2,0,1]=4 43 B12R2.44 COC1=CC=C2NC=NC2=C1 BB57-3664 [0,0,0,1,0,0|2,0,0]=3 44 B12R2.44 NCC1=CC2=C(C=C1)NC=C2 BB53-1611 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.44 NCC1=CC2=C(C=C1)SC=C2 BB55-6203 [0,0,0,1,0,0|3,0,0]=4 46 B9R1.1 CC1=CC=C(CCl)C=N1 BB58-3093 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 CC1=CC=C(CN)C=N1 BB58-3095 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 CC1=CC=C(CO)C=N1 BB58-3092 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.1 NCC1=CC=C(N)C=C1 BB54-2061 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.1 OCC1=CC=C(O)N=C1 BB57-1801 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.8 NOCC1=CC=CC=C1 BB05-2313 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 BB56-0588 [2,0,0,0,0,0|1,0,1]=4 55 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.1 C=CCOC1=CC=C(Br)C=C1 BB58-0374 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.1 C=CCOC1=CC=C(Cl)C=C1 BB31-2474 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.1 C=CCOC1=CC=C(O)C=C1 BB20-1078 [1,1,0,0,0,0|0,0,0]=2 59 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [1,1,0,0,0,0|0,0,2]=4 60 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [1,1,0,0,0,0|0,0,2]=4 61 B11R1.1 CC1=CC=C(CNC#N)C=C1 BB12-1087 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.1 CC1=CC=C(NCCO)C=C1 BB17-0653 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.1 CC1=CC=C(OCCN)C=C1 BB54-2444 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.1 CC1=CC=C(SCCN)C=C1 BB53-1425 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.20 CC1=CC=C(NC(=N)N)C=C1 BB57-2955 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.22 CC1=CC=C(C(N)C#N)C=C1 BB58-2838 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.22 CC1=CC=C(C(N)CO)C=C1 BB56-2094 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 BB32-1985 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BB57-6723 [1,1,0,0,0,0|1,0,1]=4 73 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 BB57-6308 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.3 COC1=CC=C(C(=N)N)C=C1 BB58-0024 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.3 COC1=CC=C(C(C)N)C=C1 BB05-0764 [1,1,0,0,0,0|0,0,1]=3 76 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BB54-0843 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.279 COC1=C(Cl)C=C(NN)C=C1 BB56-0919 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.279 COC1=C(I)C=C(C=O)C=C1 BB17-1449 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.279 COC1=C(O)C=C(CN)C=C1 BB54-0027 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.279 COC1=CC(C)=C(CN)C=C1 BB55-8670 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.279 COC1=CC=C(C#N)C=C1O BB54-1520 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.279 COC1=CNC(CCl)=CC1=O BB26-0379 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.279 COC1=CNC(CO)=CC1=O BB26-0375 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.279 COC1=COC(CCl)=CC1=O BB26-0376 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.279 COC1=COC(CO)=CC1=O BB26-0372 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.279 COC1=COC(CO)=CC1=O BB58-0116 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.279 [C-]#[N+]C1=CC(Cl)=C(OC)C=C1 BB56-1215 [1,1,0,0,0,0|1,0,1]=4 88 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 BB31-3467 [0,2,0,0,0,0|0,0,2]=4 89 B13R1.5 COC1=CC=C(C\C(N)=N\O)C=C1 BB01-3934 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.35 COC1=CC=C(CC(=O)O)C=C1C BB56-0509 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.35 COC1=CC=C(NC(C)=O)C=C1N BB55-4804 [0,2,0,0,0,0|1,0,1]=4 92 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 BB56-0235 [0,2,0,0,0,0|2,0,0]=4 93 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 BB56-0264 [0,2,0,0,0,0|1,0,0]=3 94 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 BB56-0269 [0,2,0,0,0,0|1,1,0]=4 95 B13R1.142 CCOC1=CC=C(CC(=O)Cl)C=C1 BB01-8261 [0,2,0,0,0,0|1,0,0]=3 96 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 BB56-0010 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.142 CCOC1=CC=C(NC(N)=S)C=C1 BB01-7610 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.142 NCCC1=CC=C(OC(F)F)C=C1 BB54-3525 [0,2,0,0,0,0|1,0,1]=4 99 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 BB56-1063 [0,2,0,0,0,0|1,0,0]=3 100 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 BB57-0258 [0,2,0,0,0,0|1,0,0]=3 101 B13R1.39 COC1=CC=C(\C(C#N)=C/[O-])C=C1 BB10-0859 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.139 CCOC1=CC=C(C(N)CC)C=C1 BB55-1642 [0,2,0,0,0,0|0,0,2]=4 103 B13R1.139 CCOC1=CC=C(C(N)CO)C=C1 BB56-2098 [0,2,0,0,0,0|1,0,1]=4 104 B13R1.3088 CCC(N)C1=CC(C)=C(OC)C=C1 BB58-0613 [0,2,0,0,0,0|0,0,2]=4 105 B13R1.3088 CNC(C)C1=CC(F)=C(OC)C=C1 BB53-1614 [0,2,0,0,0,0|1,0,1]=4 106 B13R1.3088 COC1=C(Cl)C=C(C(N)CO)C=C1 BB56-2222 [0,2,0,0,0,0|1,0,1]=4 107 B13R1.3 CCC1=CC=C(OCC(=O)Cl)C=C1 BB55-5190 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 BB17-0399 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB54-1640 [0,2,0,0,0,0|0,0,1]=3 110 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 BB01-7607 [0,2,0,0,0,0|1,0,0]=3 111 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 BB58-0807 [0,2,0,0,0,0|1,0,0]=3 112 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BB55-5195 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 BB55-4256 [0,2,0,0,0,0|1,1,0]=4 114 B13R1.77 CCCC1=CC=C(OCCN)C=C1 BB57-6588 [0,2,0,0,0,0|0,0,2]=4 115 B13R1.371 C#CCNCC1=CC=C(OC)C=C1 BB54-5007 [0,2,0,0,0,0|0,0,2]=4 116 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 BB31-7699 [0,2,0,0,0,0|1,0,1]=4 117 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 BB12-2718 [0,2,0,0,0,0|1,0,1]=4 118 B11R2.36 CC1=CC2=C(C=CN2)C=C1 BB01-7867 [1,0,0,1,0,0|1,0,1]=4 119 B11R2.36 CC1=CC=C2N=CNC2=C1 BB12-4747 [1,0,0,1,0,0|2,0,0]=4 120 B11R2.36 OC1=CC2=C(C=C1)N=CO2 BB54-5551 [1,0,0,1,0,0|2,0,0]=4 121 B11R2.36 OC1=CC=C2NC=NC2=C1 BB57-3662 [1,0,0,1,0,0|2,0,0]=4 122 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 BB57-3663 [0,1,0,1,0,0|1,0,1]=4 123 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 BB12-1347 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.2121 COC1=CC=C2SC(S)=NC2=C1 BB55-7897 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.57 COC1=CC2=C(C=C1)CNCC2 BB54-4395 [0,1,0,1,0,0|0,0,2]=4 126 B13R2.57 COC1=CC2=C(C=C1)NCCC2 BB54-0718 [0,1,0,1,0,0|0,0,2]=4 127 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 BB57-4090 [0,1,0,1,0,0|2,0,0]=4 128 B13R2.449 NCCC1=CC2=C(C=C1)NC=C2 BB58-2999 [0,1,0,1,0,0|2,0,0]=4