0 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.118 CC1=C(N=C(C(=N1)C)C)C CNP0327107.0 [0,0,0,0,0,0|0,0,0]=0 2 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.118 CC1=CN(C(=O)N=C1O)C CNP0516273.0 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.118 C[C@H]1N=C([C@H](N=C1O)C)O CNP0546905.1 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [1,0,0,0,0,0|0,0,0]=1 30 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.32 CC1=C(C(=C(C(=O)O1)C)O)C CNP0208216.0 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.32 CC1=CC(=C(C(=C1C)Br)C)C CNP0228587.0 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C CNP0094730.0 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.32 CC1=CC(=C(C(=C1C)C)C)Br CNP0068892.0 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.32 CC1=CC(=C(C(=C1C)C)O)C CNP0205719.0 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C CNP0069313.0 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.32 CC1=CC(=C(C(=C1C)O)C)C CNP0212055.0 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.32 CC1=CC(=C(C(=C1C)O)C)O CNP0324335.0 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.277 CC1=NC(=C(N=C1C)CO)C CNP0075676.0 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.277 CCC1=NC(=C(N=C1C)C)C CNP0342125.0 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.42 C=C(C)C(=C)CC(=CC)C CNP0076071.0 [0,0,1,0,0,0|2,0,1]=4 49 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,0,0,0,1,0|2,0,1]=4 50 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,0,0,0,1,0|0,0,1]=2 51 B9R1.37 CC1=C(C(=O)OC1=O)C CNP0306912.0 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,0,0,0,1,0|2,0,1]=4 53 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,0,0,0,1,0|2,0,1]=4 54 B9R1.37 CC1=NN(C(=C1I)Cl)C CNP0469987.0 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.37 CC1=NN(C(=O)C1C)C CNP0584590.0 [0,0,0,0,1,0|2,0,1]=4 56 B11R1.678 CC1=NN(C(=NC(=S)C1)S)C CNP0458406.0 [0,0,0,0,0,1|3,0,0]=4 57 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,0,1,0,0,0|2,0,0]=4 58 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [2,0,0,0,0,0|0,0,0]=2 65 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [2,0,0,0,0,0|0,0,2]=4 66 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [2,0,0,0,0,0|0,0,0]=2 73 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [2,0,0,0,0,0|0,0,0]=2 80 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [1,1,0,0,0,0|1,0,0]=3 84 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [1,1,0,0,0,0|0,0,1]=3 85 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [1,1,0,0,0,0|0,0,0]=2 96 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [1,1,0,0,0,0|0,0,0]=2 98 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.147 CC1=NCC(N=C1C)(C)C CNP0549187.0 [1,1,0,0,0,0|0,0,2]=4 103 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [1,1,0,0,0,0|0,0,0]=2 105 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.34 CCC1=NN(C(=C1C)C)C CNP0370475.0 [0,1,0,0,1,0|1,0,0]=3 109 B10R1.191 C=C1C(=C(C(=C1C)C)C)C CNP0566839.0 [0,1,0,0,1,0|1,0,0]=3 110 B10R1.191 CC1=C(C(C(=C1C)C)C)C CNP0153262.0 [0,1,0,0,1,0|1,0,0]=3 111 B10R1.256 CC1=NN(C(=C1C=O)C)C CNP0448242.0 [0,1,0,0,1,0|1,0,1]=4 112 B10R1.256 CCC1=C(NC(=C1C)C)C CNP0244315.0 [0,1,0,0,1,0|0,0,1]=3 113 B12R1.14 CC1=CC(=C(C(=C1C)C)C)CCl CNP0291313.0 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.98 CC1=CC(=C(C(=C1C)C)CCl)C CNP0059344.0 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.705 CC1=CC(=C(C(=C1C)CCl)C)C CNP0220314.0 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.705 CC1=CC(=C(C(=C1C)N=O)C)C CNP0060003.0 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.705 COC1=C(C(=CC(=C1C)C)C)C CNP0611967.0 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.3795 CC1=C(C(=C(C(=C1C)C)Br)C)C CNP0474642.0 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.3795 CC1=C(C(=C(C(=C1C)C)C)C)C CNP0334926.0 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.3795 CC1=C(C(=C(C(=C1I)C)C)I)C CNP0476567.0 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.3795 CC1=C(C(=O)C(=C(C1=O)C)C)C CNP0472017.0 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.232 CC1=NC(=C(N=C1C)C(=O)O)C CNP0225185.0 [0,2,0,0,0,0|0,0,1]=3 124 B12R1.448 CCC1=NC(=C(N=C1CC)C)C CNP0002580.0 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.449 CC1=CC(=C(C=C1CCl)CCl)C CNP0033826.0 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.449 CCC1=NC(=C(N=C1C)C)CC CNP0353160.0 [0,2,0,0,0,0|0,0,0]=2 127 B12R1.450 CC1=CC(=C(C=C1CCl)C)CCl CNP0193633.0 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.450 CCC1=NC(=C(N=C1C)CC)C CNP0353148.0 [0,2,0,0,0,0|0,0,0]=2 129 B12R1.1123 C=CCC1=NC(=C(N=C1C)C)C CNP0160389.0 [0,2,0,0,0,0|0,0,0]=2 130 B12R1.1123 CCCC1=NC(=C(N=C1C)C)C CNP0243927.0 [0,2,0,0,0,0|0,0,0]=2 131 B10R1.4 CC=CC1=C(C=CCC1)C CNP0266247.0 [0,0,1,1,0,0|2,0,0]=4 132 B10R1.113 CC1=CCCC(=C(C)C)C1 CNP0195517.0 [0,0,1,1,0,0|2,0,0]=4 133 B12R2.782 CC1=CC(=C2CCC2=C1C)C CNP0055253.0 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.1134 CC1=CC2=C(CC2)C(=C1C)C CNP0057619.0 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.100 CC1=NC2=C(CCC2)N=C1C CNP0239540.0 [0,1,0,1,0,0|0,0,0]=2 136 B12R3.283 C1=C2CCC2=CC3=C1CC3 CNP0035763.0 [0,0,0,2,0,0|2,0,0]=4 137 B12R3.283 C1CC2=C1CC3=C(C2)CC3 CNP0440688.0 [0,0,0,2,0,0|2,0,0]=4 138 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,0,1,0,1,0|1,0,1]=4 139 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [1,0,0,0,1,0|2,0,0]=4 140 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [1,0,0,0,1,0|0,0,1]=3 141 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [1,0,0,0,1,0|1,0,0]=3 142 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [1,0,0,0,1,0|2,0,0]=4 143 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [1,0,0,0,1,0|1,0,0]=3 144 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [1,0,0,0,1,0|1,0,0]=3 145 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [1,0,0,0,1,0|1,0,0]=3