0 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [0,0,0,0,0,0|0,1,0]=1 6 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,0,0,0,0,0|3,1,0]=4 8 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,0,0,0,0,0|3,1,0]=4 10 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,0,0,0,0,0|3,1,0]=4 11 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [1,0,0,0,0,0|0,0,2]=3 12 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,0,0,0,0|1,1,0]=3 22 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,0,0,0,0,0|0,0,0]=1 23 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,0,0,0,0|2,1,0]=4 25 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,0,0,0,0|2,1,0]=4 26 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,0,0,0,0,0|0,1,0]=2 27 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,0,0,0,0,0|2,1,0]=4 30 B11R1.37 C=CC1=NC=C(N=C1CC)C CNP0003041.0 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.37 CCC1=NC=C(N=C1CC)C CNP0079896.0 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [0,1,0,0,0,0|2,1,0]=4 35 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [0,1,0,0,0,0|2,1,0]=4 36 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [0,1,0,0,0,0|2,1,0]=4 39 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [0,1,0,0,0,0|0,1,0]=2 40 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [0,1,0,0,0,0|0,0,0]=1 41 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,0,0,1,0,0|2,0,1]=4 42 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [0,0,0,1,0,0|1,1,1]=4 43 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,0,0,1,0,0|1,0,1]=3 44 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,0,0,1,0,0|1,0,0]=2 45 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,0,0,1,0,0|3,0,0]=4 46 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,0,0,1,0,0|2,0,0]=3 50 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,0,0,1,0,0|1,0,0]=2 51 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [2,0,0,0,0,0|1,0,0]=3 53 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [2,0,0,0,0,0|0,0,2]=4 54 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 56 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|0,0,0]=2 58 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,1,0]=4 59 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,1,0]=4 60 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|0,1,0]=3 61 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [2,0,0,0,0,0|0,0,0]=2 63 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,1,0]=4 75 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [2,0,0,0,0,0|0,0,0]=2 76 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [1,1,0,0,0,0|0,0,0]=2 81 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,1,0,0,0,0|0,0,0]=2 86 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,1,0,0,0,0|0,1,0]=3 87 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [1,1,0,0,0,0|0,0,2]=4 88 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [1,1,0,0,0,0|1,1,0]=4 91 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [1,1,0,0,0,0|0,0,0]=2 92 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [1,1,0,0,0,0|0,1,0]=3 93 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [1,1,0,0,0,0|0,0,1]=3 96 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.5 CCCC1=C(N=CS1)CC CNP0002550.0 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.32 CCC1=C(OC(=N1)C)CC CNP0002746.0 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.46 COC1=NC=C(N=C1C(C)C)C CNP0379235.0 [0,2,0,0,0,0|0,1,0]=3 102 B12R1.78 CCC1=CN=C(C(=N1)CC)CC CNP0206056.0 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.448 CCC1=NC(=C(N=C1CC)C)C CNP0002580.0 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.75 COC1=NC=CN=C1CC(C)C CNP0323882.0 [0,2,0,0,0,0|0,1,0]=3 105 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC CNP0249428.1 [0,2,0,0,0,0|0,1,0]=3 106 B12R1.76 COC1=NC=CN=C1C(C)(C)O CNP0352781.0 [0,2,0,0,0,0|0,1,0]=3 107 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [1,0,0,1,0,0|0,0,2]=4 108 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|2,0,0]=4 109 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [1,0,0,1,0,0|2,0,0]=4 110 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|1,0,0]=3 111 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|2,0,0]=4 112 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|2,0,0]=4 113 B12R2.24 CC1=CN=C2CCCCC2=N1 CNP0162102.0 [0,1,0,1,0,0|1,0,0]=3 114 B12R2.132 CC1=CN=C2CC[C@H](C2=N1)C CNP0330919.1 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.612 CC1=CN=C2C(=N1)CC[C@H]2C CNP0338936.1 [0,1,0,1,0,0|1,0,0]=3 116 B12R2.1081 CC1=CC=NC2=C1CCCC2 CNP0208012.0 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.2028 C[C@@H]1C[C@H](C2=NC=CC=C12)C CNP0115326.1 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [1,0,0,0,1,0|1,0,0]=3 119 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [1,0,0,0,1,0|1,0,0]=3 120 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [1,0,0,0,1,0|1,0,0]=3