0 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,0,0,0,0,0|1,0,0]=2 1 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [1,0,0,0,0,0|1,1,0]=3 3 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [1,0,0,0,0,0|1,0,1]=3 5 B13R1.5 CCC1=CC=C(NC(=O)CBr)C=C1 BB17-0234 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.5 COC1=CC=C(C\C(N)=N\O)C=C1 BB01-3934 [0,1,0,0,0,0|1,0,1]=3 7 B13R1.35 COC1=CC=C(CC(=O)O)C=C1C BB56-0509 [0,1,0,0,0,0|1,0,0]=2 8 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 BB56-0235 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 BB56-0264 [0,1,0,0,0,0|1,0,0]=2 10 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 BB56-0269 [0,1,0,0,0,0|1,1,0]=3 11 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 BB56-0010 [0,1,0,0,0,0|1,0,0]=2 12 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 BB12-1266 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.585 O=C(Cl)CC1=CC=C([N+](=O)[O-])C=C1 BB12-4739 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 BB12-4738 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 BB56-1063 [0,1,0,0,0,0|1,0,0]=2 16 B13R2.2121 CCC1=CC=C2NC(=O)CC2=C1 BB17-0213 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.2121 COC1=CC=C2NC(S)=NC2=C1 BB12-1347 [0,0,0,1,0,0|2,1,0]=4 18 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 BB12-1599 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [0,0,0,0,1,0|3,0,0]=4 20 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 BB12-2672 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [0,0,0,0,1,0|3,0,0]=4 22 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 BB17-0399 [0,0,0,0,0,1|2,0,0]=3 23 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB56-1280 [0,0,0,0,0,1|3,0,0]=4 24 B10R1.1 CNCC1=CC=C(O)C=C1 BB12-1375 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [2,0,0,0,0,0|2,0,0]=4 26 B10R1.3 CCC1=CC=C(NN)C=C1 BB56-0994 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.3 COC1=CC=C(NN)C=C1 BB56-2536 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.3 [C-]#[N+]C1=CC=C(CC)C=C1 BB56-1198 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.19 CC1=CC=C(CC(=O)O)C=C1C BB56-0554 [1,1,0,0,0,0|1,0,0]=3 30 B12R1.19 O=C(O)CC1=CC=C(F)C(F)=C1 BB56-0510 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.20 CC(=O)N(C)C1=CC=C(Br)C=C1 BB12-4088 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 BB56-0268 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BB56-0239 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.49 CC1=CC=C(NC(=O)CS)C=C1 BB12-3950 [1,1,0,0,0,0|1,0,0]=3 35 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BB17-0336 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 BB01-6281 [1,1,0,0,0,0|1,0,0]=3 37 B12R1.49 O=C(CS)NC1=CC=C(F)C=C1 BB12-3948 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 BB12-1100 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.233 CC(=O)NC1=C(N)C=C(Br)C=C1 BB12-1697 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.233 CC(=O)NC1=C(N)C=C(C)C=C1 BB12-1696 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.233 CC(=O)NC1=CC=C(C)C=C1O BB12-2649 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.233 CC(=O)NC1=CC=C(N)C=C1Cl BB12-4714 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1F BB56-2547 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.233 O=C(O)CC1=CC=C(F)C=C1Cl BB56-2649 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.71 C(=O)NCC1=CC=C(CC)C=C1 BB20-4803 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.116 [C-]#[N+]CC1=CC=C(OCC)C=C1 BB56-2765 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.288 COC1=CC=C(N=C=O)C=C1Cl BB01-6578 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB53-1298 [0,1,0,0,1,0|0,0,0]=2 49 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 BB53-1497 [0,1,0,0,1,0|1,0,1]=4 50 B12R1.48 COC1=C(N)C=C(C(C)=O)C=C1 BB12-0014 [0,1,0,0,1,0|0,0,0]=2 51 B12R1.48 COC1=CNC(C(=O)O)=CC1=O BB26-0368 [0,1,0,0,1,0|2,0,0]=4 52 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB26-0367 [0,1,0,0,1,0|2,0,0]=4 53 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0118 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0228 [0,1,0,0,0,1|1,1,0]=4 55 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BB55-3801 [0,1,0,0,0,1|1,0,0]=3 56 B14R1.5 COC1=CC=C(CNC(=O)CBr)C=C1 BB17-0261 [0,1,0,0,0,1|0,0,0]=2 57 B14R1.5 COC1=CC=C(COC(=O)CCl)C=C1 BB17-2021 [0,1,0,0,0,1|0,0,0]=2 58 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 BB12-2518 [0,1,0,0,0,1|1,0,0]=3 59 B14R1.211 COC1=CC=C(CNS(C)(=O)=O)C=C1 BB17-1509 [0,1,0,0,0,1|1,0,0]=3 60 B14R1.3653 COC1=C(N)C=C(\C=C\C(=O)O)C=C1 BB17-2792 [0,1,0,0,0,1|1,0,1]=4 61 B14R1.24 COC(=O)CC1=CC=C(N=C=S)C=C1 BB53-1505 [0,2,0,0,0,0|1,0,1]=4 62 B14R1.954 CCNC(=S)NC1=CC=C(OC)C=C1 BB17-0998 [0,2,0,0,0,0|1,1,0]=4 63 B14R1.954 COC1=CC=C(NC(=O)CC#N)C=C1 BB10-0022 [0,2,0,0,0,0|1,0,0]=3 64 B14R1.954 COC1=CC=C(NC(=O)CCN)C=C1 BB53-1849 [0,2,0,0,0,0|1,0,0]=3 65 B14R1.2879 CC(C)C1=CC=C(NC(=O)CBr)C=C1 BB17-0240 [0,2,0,0,0,0|2,0,0]=4 66 B14R1.2879 C\C(C=O)=C\C1=CC=C(C(C)C)C=C1 BB12-2872 [0,2,0,0,0,0|1,0,1]=4 67 B14R1.3276 COC1=C(Cl)C=C(NC(=O)CBr)C=C1 BB17-0230 [0,2,0,0,0,0|1,0,0]=3 68 B14R1.2284 COC1=C(C)C=C(CC(=O)O)C(C)=C1 BB56-2603 [0,2,0,0,0,0|1,0,0]=3 69 B14R1.3651 COC1=C(C#N)C=C(NC(C)=O)C=C1 BB53-1528 [0,2,0,0,0,0|1,0,0]=3 70 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1C BB56-0300 [0,2,0,0,0,0|1,0,0]=3 71 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1Cl BB56-0282 [0,2,0,0,0,0|1,0,0]=3 72 B14R1.12535 COC1=C(C)C=C(CC(=O)O)C=C1C BB56-2604 [0,2,0,0,0,0|1,0,0]=3 73 B14R1.141 CCOC1=CC=C(C(N)C(=O)O)C=C1 BB56-0301 [0,2,0,0,0,0|1,0,0]=3 74 B14R1.6402 CC(C)C1=CC=C(C(N)C(=O)O)C=C1 BB56-0263 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.6402 CN(C)C1=CC=C(C(N)C(=O)O)C=C1 BB56-0253 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.68 CCCOC1=CC=C(CC(=O)O)C=C1 BB56-1408 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.806 CC(C)(C)C1=CC=C(CC(=O)O)C=C1 BB56-0555 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.101 COC1=CC=C(CC(=O)O)C(OC)=C1 BB12-2236 [0,2,0,0,0,0|1,0,0]=3 79 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 BB56-2371 [1,0,0,1,0,0|1,0,0]=3 80 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 BB12-2964 [1,0,0,1,0,0|2,0,0]=4 81 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 BB12-1457 [1,0,0,1,0,0|2,0,0]=4 82 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 BB12-1458 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.328 COC1=CC=C(OCC2CO2)C=C1 BB17-0650 [0,0,0,1,0,1|0,0,2]=4 84 B14R2.3274 CCC1=CC=C2NC(=O)C(N)C2=C1 BB12-1592 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.601 CC(C)C1=CC=C2NC(=O)CC2=C1 BB17-0214 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [1,0,0,0,1,0|1,0,0]=3 87 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [1,0,0,0,1,0|2,0,0]=4 88 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [1,0,0,0,1,0|2,0,0]=4 89 B10R1.54 CC1=CC=C(CC(=O)O)S1 BB56-0024 [1,0,0,0,1,0|2,0,0]=4 90 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 BB53-1661 [1,0,0,0,0,1|2,0,0]=4 91 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [1,0,0,0,0,1|1,0,0]=3 92 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [1,0,0,0,0,1|2,0,0]=4 93 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [1,0,0,0,0,1|2,0,0]=4