0 B12R1.71 COC1=CC=C(CN=C=O)C=C1 BB01-6562 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.71 COC1=CC=C(OCCBr)C=C1 BB17-1652 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.1 CC1=CC=C(CN=C=O)C=C1 BB57-0292 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.1 O=C\C=C\C1=CC=C(Br)C=C1 BB17-2312 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.83 CCC1=CC=C(N=C=O)C=C1 BB01-6505 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.83 CCC1=CC=C(N=S=O)C=C1 BB58-0228 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.83 CNCC1=CC=C(OC)C=C1 BB58-0563 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.83 COC1=CC=C(CC#N)C=C1 BB17-2807 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.83 COC1=CC=C(N=C=O)C=C1 BB58-0027 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.83 COC1=CC=C(N=C=S)C=C1 BB17-0166 [1,0,0,0,0,0|1,1,1]=4 10 B11R1.83 COC1=CC=C(N=S=O)C=C1 BB58-0212 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.83 CSC1=CC=C(N=C=O)C=C1 BB01-6582 [1,0,0,0,0,0|1,1,1]=4 12 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 BB55-0079 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.3 CCC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2920 [0,1,0,0,0,0|1,0,0]=2 14 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 BB01-6132 [0,1,0,0,0,0|0,0,2]=3 15 B13R1.3 COC1=CC=C(CSC(=N)N)C=C1 BB01-2444 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.3 COC1=CC=C(OCC(=N)N)C=C1 BB01-8152 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 BB01-4620 [0,1,0,0,0,0|1,0,1]=3 18 B13R1.3 COC1=CC=C(OCC(C)=O)C=C1 BB57-5297 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.3 COC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6091 [0,1,0,0,0,0|0,0,0]=1 20 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2913 [0,1,0,0,0,0|0,0,0]=1 21 B13R1.3 CSC1=CC=C(\C=C\C(=O)O)C=C1 BB01-7979 [0,1,0,0,0,0|0,1,0]=2 22 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 BB57-6143 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.5 C=CC(=O)NC1=CC=C(CC)C=C1 BB20-1289 [0,1,0,0,0,0|3,0,0]=4 24 B13R1.5 COC1=CC=C(CC(=O)NN)C=C1 BB55-0705 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.5 COC1=CC=C(NC(=O)CCl)C=C1 BB01-1057 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.5 COC1=CC=C(NC(=S)NN)C=C1 BB01-2876 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.74 O=C\C=C\C1=CC=C([N+](=O)[O-])C=C1 BB17-1754 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.452 CCCC(=O)C1=CC=C(OC)C=C1 BB01-4257 [0,1,0,0,0,0|1,0,2]=4 29 B13R1.452 COC1=CC=C(C(=O)CC#N)C=C1 BB01-2557 [0,1,0,0,0,0|1,0,2]=4 30 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 BB55-7351 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.1 CC1=CC=C(N=S=O)C=C1 BB58-0235 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.17 O=CNCC1=CC=CC=C1 BB20-1135 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.17 OC\C=C\C1=CC=CC=C1 BB01-5912 [2,0,0,0,0,0|0,0,2]=4 34 B10R1.3 CNC1=CC=C(OC)C=C1 BB57-6647 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.3 CSC1=CC=C(C=O)C=C1 BB17-2315 [2,0,0,0,0,0|0,1,0]=3 36 B10R1.3 N#CC1=CC=C(C=O)C=C1 BB01-6198 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BB17-1417 [1,1,0,0,0,0|0,0,2]=4 38 B12R1.21 CC1=CC=C(OCC(=O)Cl)C=C1 BB55-5194 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 BB01-3863 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.21 CC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6090 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 BB55-6070 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 BB17-2875 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Br)C=C1 BB55-6089 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.21 O=C(Cl)\C=C\C1=CC=C(Cl)C=C1 BB55-6087 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.21 O=C(Cl)\C=C\C1=CC=C(F)C=C1 BB55-6088 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 BB01-6226 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 BB55-6069 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 BB01-2919 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 BB01-2224 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 BB57-4626 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 BB01-2603 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 BB20-0241 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 BB01-2858 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 BB17-2703 [1,1,0,0,0,0|1,1,0]=4 55 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 BB01-4890 [1,1,0,0,0,0|0,0,2]=4 56 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 BB58-1714 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BB01-3789 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 BB01-2751 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.114 COC1=CC=C(N=C=O)C(C)=C1 BB01-6583 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.116 CCOC1=CC=C(N=C=O)C=C1 BB01-4425 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.116 CCOC1=CC=C(N=S=O)C=C1 BB58-0213 [1,1,0,0,0,0|2,0,0]=4 62 B14R1.2 COC1=CC=C(C(=O)CC(C)=O)C=C1 BB01-3921 [0,2,0,0,0,0|0,0,1]=3 63 B14R1.2 COC1=CC=C(C(N)CC(=O)O)C=C1 BB01-4011 [0,2,0,0,0,0|0,0,2]=4 64 B14R1.5 COC(=O)COC1=CC=C(OC)C=C1 BB57-4788 [0,2,0,0,0,0|1,0,1]=4 65 B14R1.5 COC1=CC=C(CCC(=O)NN)C=C1 BB01-5062 [0,2,0,0,0,0|0,0,2]=4 66 B14R1.5 COC1=CC=C(CNC(=O)CCl)C=C1 BB01-5500 [0,2,0,0,0,0|1,0,1]=4 67 B14R1.5 COC1=CC=C(COC(=O)NN)C=C1 BB57-7025 [0,2,0,0,0,0|1,0,1]=4 68 B14R1.5 COC1=CC=C(OCC(=O)NN)C=C1 BB01-5697 [0,2,0,0,0,0|1,0,1]=4 69 B14R1.142 CCOC1=CC=C(CCC(=O)O)C=C1 BB58-2553 [0,2,0,0,0,0|0,0,2]=4 70 B14R1.142 CCOC1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6105 [0,2,0,0,0,0|0,0,0]=2 71 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 BB01-2917 [0,2,0,0,0,0|0,0,0]=2 72 B14R1.419 CC(=O)\C=C\C1=CC=C(N(C)C)C=C1 BB01-5884 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)Cl)C=C1 BB55-6092 [0,2,0,0,0,0|1,0,0]=3 74 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 BB55-6071 [0,2,0,0,0,0|1,0,0]=3 75 B14R1.419 CC(C)C1=CC=C(\C=C\[N+](=O)[O-])C=C1 BB58-4131 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.3653 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1O BB58-4243 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.793 COC1=C(OC)C=C(\C=C\C#N)C=C1 BB57-0195 [0,2,0,0,0,0|1,0,1]=4 78 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 BB57-3407 [1,0,0,1,0,0|1,0,0]=3 79 B12R2.24 OC1=CC=C2C=CC=CC2=N1 BB17-2144 [1,0,0,1,0,0|2,0,0]=4 80 B12R2.44 COC1=CC2=C(C=C1)NC=C2 BB01-4579 [1,0,0,1,0,0|1,0,0]=3 81 B12R2.44 COC1=CC2=C(C=CN2)C=C1 BB01-6798 [1,0,0,1,0,0|1,0,0]=3 82 B14R2.134 COC1=CC2=C(C=C1)N=CC(O)=C2 BB58-1195 [0,1,0,1,0,0|1,0,1]=4 83 B14R2.134 COC1=CC=C2C=CC(O)=CC2=C1 BB57-6852 [0,1,0,1,0,0|0,0,1]=3 84 B14R2.2332 COC1=CC=C2N=C(C)C=CC2=C1 BB01-4977 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.3274 CCC1=CC=C2NC(=O)C(=O)C2=C1 BB01-4613 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.2497 COC1=CC2=C(C=C1)NC=C2C=O BB01-4558 [0,1,0,1,0,0|0,0,0]=2 87 B14R2.2497 COC1=CC=C2NC=C(CN)C2=C1 BB58-3823 [0,1,0,1,0,0|1,0,1]=4 88 B14R2.1801 COC1=CC2=C(C=C1)C(O)=CC=N2 BB57-3399 [0,1,0,1,0,0|1,0,0]=3