0 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [1,0,0,0,0,0|0,0,0]=1 8 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [1,0,0,0,0,0|0,0,0]=1 12 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [1,0,0,0,0,0|0,0,0]=1 13 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.75 CCC1=CC=CC=C1OC(=O)C CNP0564873.0 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.75 COC1=NC=CN=C1CC(C)C CNP0323882.0 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC CNP0249428.1 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.112 CCOC1=CC=C(C=C1CO)O CNP0181724.0 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.20 CCCC(=NO)C(=NO)CC CNP0143115.0 [0,0,1,0,0,0|3,0,0]=4 22 B12R2.41 C1=CC=C2SCCCCC2=C1 CNP0497800.0 [0,0,0,1,0,0|2,1,0]=4 23 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.5 CCCC1=C(N=CS1)CC CNP0002550.0 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.5 CCOC1=C(N=CO1)C#N CNP0360365.0 [0,0,0,0,1,0|2,0,1]=4 26 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [2,0,0,0,0,0|1,0,1]=4 27 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [2,0,0,0,0,0|0,0,2]=4 34 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [2,0,0,0,0,0|0,0,0]=2 41 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [2,0,0,0,0,0|0,1,0]=3 42 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.81 CC=CC1=NC=C(N=C1C)C CNP0185639.0 [1,1,0,0,0,0|1,0,1]=4 47 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [1,1,0,0,0,0|1,0,0]=3 48 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.182 CC=CC1=NC(=CN=C1C)C CNP0002579.0 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.37 C=CC1=NC=C(N=C1CC)C CNP0003041.0 [1,1,0,0,0,0|0,0,2]=4 54 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.37 CCC1=NC=C(N=C1CC)C CNP0079896.0 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [1,1,0,0,0,0|0,0,1]=3 58 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [1,1,0,0,0,0|0,1,0]=3 61 B11R1.18 CCCCC1=C(N=CS1)CC CNP0126711.0 [0,1,0,0,1,0|2,0,0]=4 62 B11R1.18 CCCCC1=C(SC=N1)CC CNP0002549.0 [0,1,0,0,1,0|2,0,0]=4 63 B11R1.183 CCCC1=C(N=C(O1)C)CC CNP0002744.0 [0,1,0,0,1,0|2,0,0]=4 64 B11R1.183 CCCC1=C(N=C(S1)C)CC CNP0186317.0 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.183 CCCC1=C(OC(=N1)C)CC CNP0201203.0 [0,1,0,0,1,0|2,0,0]=4 66 B11R1.183 CCCC1=C(SC(=N1)C)CC CNP0002542.0 [0,1,0,0,1,0|2,0,0]=4 67 B13R1.89 COC1=NC=CN=C1C(O)C(C)C CNP0352778.0 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.91 OCC1=NC=CN=C1C[C@@H](O)CO CNP0239564.1 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.2129 CCC(C)(O)C1=NC=CN=C1OC CNP0156864.0 [0,2,0,0,0,0|2,0,0]=4 70 B13R1.2209 CCC(C)C1=NC(=CN=C1OC)C CNP0521502.0 [0,2,0,0,0,0|2,0,0]=4 71 B13R1.356 CCOC1=CC(=CC=C1C(C)C)C CNP0179395.0 [0,2,0,0,0,0|2,0,0]=4 72 B11R2.10 CC1=NC2=NC=CN=C2O1 CNP0001199.0 [1,0,0,1,0,0|1,0,1]=4 73 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [1,0,0,1,0,0|1,0,0]=3 75 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [1,0,0,1,0,0|1,0,1]=4 76 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [1,0,0,1,0,0|0,0,2]=4 77 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [1,0,0,1,0,0|0,0,0]=2 78 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|2,0,0]=4 79 B13R2.163 O[C@H]1COCC2=NC=CN=C2C1 CNP0162126.1 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.222 CC1(CCC2=CC=CC=C2O1)C CNP0086340.0 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.328 C[C@H]1C[C@@H](C2=CC=CC=C2O1)O CNP0551854.1 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.33 OC1CCC2=CC=CC=C2OC1 CNP0506592.0 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.45 CC1C2=CC=CC=C2OC1CO CNP0494787.0 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.57 OC[C@@H]1CC2=NC=CN=C2CO1 CNP0182272.2 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.57 OC[C@H]1CC2=NC=CN=C2CO1 CNP0182272.1 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.5179 CC1=CC=C2C(=N1)CCC[C@H]2C CNP0356797.1 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [1,0,0,0,1,0|2,0,0]=4