0 B7R1.3 C1=CC(=CN=C1)Br R0016G [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 C1=CC(=CN=C1)N R0016C [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 C1=CC(=CN=C1)O R0016E [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 C1=CC=C(C=C1)Br R0018D [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 C1=CC=NC(=C1)Br R0014G [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 C1=CC=NC(=C1)F R0014K [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 C1=CC=NC(=C1)N R0014J [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 C1=CN=C(N=C1)Cl R000RX [0,0,0,0,0,0|4,0,0]=4 8 B7R1.3 C1=CN=CC=C1Br R00187 [0,0,0,0,0,0|1,0,0]=1 9 B7R1.3 C1=CN=CC=C1N R00183 [0,0,0,0,0,0|0,0,0]=0 10 B7R1.3 C1=CNC=CC1=O R00185 [0,0,0,0,0,0|1,0,1]=2 11 B7R1.3 CC1=CC=CC=N1 R000XX [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 CC1=CC=NC=C1 R00184 [0,0,0,0,0,0|1,0,0]=1 13 B7R1.3 CC1=CN=CC=C1 R0016F [0,0,0,0,0,0|3,0,0]=3 14 B6R1.1 C1=CC=CC=C1 R00190 [1,0,0,0,0,0|1,0,0]=2 15 B6R1.1 C1=CC=NC=C1 R00192 [1,0,0,0,0,0|0,0,0]=1 16 B8R1.2 C1=CC(=CN=C1)C#N R0016D [0,1,0,0,0,0|2,0,1]=4 17 B8R1.2 C1=CC(=CN=C1)CCl R00167 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.2 C1=CC=NC(=C1)C#N R000WD [0,1,0,0,0,0|2,0,1]=4 19 B8R1.2 C1=CC=NC(=C1)C=O R000XZ [0,1,0,0,0,0|3,0,0]=4 20 B8R1.2 C1=CC=NC(=C1)CCl R0011I [0,1,0,0,0,0|3,0,0]=4 21 B8R1.2 C1=CC=NC(=C1)CO R000W3 [0,1,0,0,0,0|3,0,0]=4 22 B8R1.2 C1=CN=C(N=C1)NN R000S3 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.2 C1=CN=CC=C1C#N R00182 [0,1,0,0,0,0|0,0,1]=2 24 B8R1.2 C1=CN=CC=C1CCl R00181 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.2 C1=CN=CC=C1CO R00180 [0,1,0,0,0,0|1,0,0]=2 26 B8R1.2 COC1=CC=CC=N1 R0011W [0,1,0,0,0,0|3,0,0]=4 27 B8R1.3 C1=CC(=CC=C1F)Br R0010P [0,1,0,0,0,0|2,0,0]=3 28 B8R1.3 C1=CC(=CC=C1F)S R001A6 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.3 C1=CC(=NC=C1Br)Br R0014P [0,1,0,0,0,0|3,0,0]=4 30 B8R1.3 C1=CC(=NC=C1Br)N R0014N [0,1,0,0,0,0|2,0,0]=3 31 B8R1.3 C1=CC(=NC=C1Cl)N R0014O [0,1,0,0,0,0|2,0,0]=3 32 B8R1.3 C1=CC(=NC=C1F)N R0017T [0,1,0,0,0,0|2,0,0]=3 33 B8R1.3 CC1=CN=C(C=C1)Br R00124 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.3 CC1=CN=C(C=C1)Cl R00129 [0,1,0,0,0,0|3,0,0]=4 35 B8R1.3 CC1=CN=C(C=C1)F R0015W [0,1,0,0,0,0|3,0,0]=4 36 B8R1.3 CC1=CN=C(C=C1)N R0011Z [0,1,0,0,0,0|2,0,0]=3 37 B8R1.3 CC1=NC=C(C=C1)Br R00108 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.3 CC1=NC=C(C=C1)Br R001C3 [0,1,0,0,0,0|3,0,0]=4 39 B8R1.4 C1=CC(=CC(=C1)O)N R000V9 [0,1,0,0,0,0|1,0,0]=2 40 B8R1.4 C1=CC(=NC(=C1)Br)F R0010F [0,1,0,0,0,0|3,0,0]=4 41 B8R1.4 C1=CC(=NC(=C1)F)F R000UD [0,1,0,0,0,0|3,0,0]=4 42 B8R1.4 C1=CC(=NC(=C1)N)N R0012I [0,1,0,0,0,0|2,0,0]=3 43 B8R1.4 C1=CN=C(C=C1Cl)N R0017L [0,1,0,0,0,0|1,0,0]=2 44 B8R1.4 C1=CNC(=O)NC1=O R000VZ [0,1,0,0,0,0|2,0,1]=4 45 B8R1.4 CC1=CC(=CN=C1)C R0016B [0,1,0,0,0,0|3,0,0]=4 46 B8R1.4 CC1=CC(=NC=C1)Br R00123 [0,1,0,0,0,0|1,0,0]=2 47 B8R1.4 CC1=CC(=NC=C1)Cl R00119 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.4 CC1=CC(=NC=C1)Cl R00128 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.4 CC1=CC(=NC=C1)F R0015V [0,1,0,0,0,0|1,0,0]=2 50 B8R1.4 CC1=CC(=NC=C1)N R00120 [0,1,0,0,0,0|1,0,0]=2 51 B8R1.4 CC1=CC(=O)NC=C1 R0011U [0,1,0,0,0,0|1,0,1]=3 52 B8R1.4 CC1=CC=CC(=O)N1 R0011V [0,1,0,0,0,0|3,0,0]=4 53 B8R1.4 CC1=C[N+](=CC=C1)[O-] R00165 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.4 CC1=NC(=CC=C1)Br R00125 [0,1,0,0,0,0|3,0,0]=4 55 B8R1.4 CC1=NC(=CC=C1)C R0012C [0,1,0,0,0,0|3,0,0]=4 56 B8R1.4 CC1=NC(=CC=C1)Cl R0012A [0,1,0,0,0,0|3,0,0]=4 57 B8R1.4 CC1=NC(=CC=C1)F R0015X [0,1,0,0,0,0|3,0,0]=4 58 B8R1.4 CC1=NC(=CC=C1)N R0011Y [0,1,0,0,0,0|2,0,0]=3 59 B8R1.4 CC1=NC=CC(=C1)Br R0011Q [0,1,0,0,0,0|1,0,0]=2 60 B8R1.4 CC1=NC=CC(=C1)Cl R0011S [0,1,0,0,0,0|1,0,0]=2 61 B8R1.4 CC1=NC=CC(=C1)F R0011T [0,1,0,0,0,0|1,0,0]=2 62 B8R1.4 CC1=NC=CC(=C1)N R0011P [0,1,0,0,0,0|0,0,0]=1 63 B8R1.5 C1=CC(=C(N=C1)Cl)Cl R0012G [0,1,0,0,0,0|3,0,0]=4 64 B8R1.5 C1=CC(=C(N=C1)Cl)O R00149 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.5 C1=CC=C(C(=C1)N)F R0010S [0,1,0,0,0,0|1,0,0]=2 66 B8R1.5 C1=CC=C(C(=C1)N)N R00198 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.5 CC1=C(C=CC=N1)O R0017W [0,1,0,0,0,0|3,0,0]=4 68 B8R1.5 CC1=C(C=NC=C1)Br R0016S [0,1,0,0,0,0|1,0,0]=2 69 B8R1.5 CC1=C(N=CC=C1)Br R00122 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.5 CC1=C(N=CC=C1)Cl R00127 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.5 CC1=C(N=CC=C1)F R0015U [0,1,0,0,0,0|3,0,0]=4 72 B8R1.5 CC1=C(N=CC=C1)N R00121 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.5 CC1=CC=CC=[N+]1[O-] R0011M [0,1,0,0,0,0|3,0,0]=4 74 B6R1.2 C1=C(C=NN1)I R000V0 [0,0,0,0,1,0|2,0,0]=3 75 B7R1.1 C#CC1=CSC=C1 R00199 [0,1,0,0,1,0|2,0,0]=4 76 B7R1.1 C1=C(NC=N1)C#N R0012S [0,1,0,0,1,0|1,0,1]=4 77 B9R1.1 C#CC1=CC=C(C=C1)Br R0017K [0,2,0,0,0,0|2,0,0]=4 78 B9R1.1 C#CC1=CC=C(C=C1)N R00144 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.1 C1=CC(=CC=C1CO)Cl R001B3 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.1 CNC1=CC=C(C=C1)Br R000T0 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.1 COC1=CC=C(C=C1)N R000UY [0,2,0,0,0,0|1,0,0]=3 82 B9R1.2 C1=CC(=CC(=C1)Cl)CCl R00171 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.2 C1=CC(=CC(=C1)O)C=O R000SR [0,2,0,0,0,0|2,0,0]=4 84 B9R1.2 C1=CN=C(C=C1C=O)Cl R00148 [0,2,0,0,0,0|1,0,0]=3 85 B9R1.2 C1=CN=C(C=C1CO)Cl R00147 [0,2,0,0,0,0|1,0,0]=3 86 B9R1.2 C1=CN=C(C=C1Cl)C=O R0018B [0,2,0,0,0,0|1,0,0]=3 87 B9R1.2 COC1=CC(=CC=C1)Cl R0011C [0,2,0,0,0,0|2,0,0]=4 88 B9R1.2 COC1=CC(=CC=C1)F R000SE [0,2,0,0,0,0|2,0,0]=4 89 B9R1.6 B(C1=CC=CC=C1)(O)O R000VC [0,2,0,0,0,0|2,0,0]=4 90 B9R1.6 B(C1=CC=NC=C1)(O)O R000VH [0,2,0,0,0,0|1,0,0]=3 91 B9R1.6 C1=CN=CC=C1C(=O)O R00172 [0,2,0,0,0,0|1,0,0]=3 92 B9R1.6 CC(=O)C1=CC=NC=C1 R00186 [0,2,0,0,0,0|1,0,0]=3 93 B9R1.6 C[Si](C)C1=CC=CC=C1 R0017M [0,2,0,0,0,0|2,0,0]=4 94 B9R1.8 C1=CC=C(C=C1)CC#N R0018U [0,2,0,0,0,0|1,0,1]=4 95 B9R1.8 C1=CN=CC=C1CC#N R0017Z [0,2,0,0,0,0|0,0,1]=3 96 B9R1.15 C1=CC=C(C(=C1)C#N)Cl R001A4 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.15 C1=CC=C(C(=C1)CO)Cl R001B5 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.15 COC1=CC=CC=C1N R000UV [0,2,0,0,0,0|1,0,0]=3 99 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)Br R000UI [0,2,0,0,0,0|2,0,0]=4 100 B9R1.69 C1=C(C(=NC(=N1)Cl)Cl)F R000S4 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.69 C1=CC(=C(C=C1Br)F)Cl R0010D [0,2,0,0,0,0|2,0,0]=4 102 B9R1.69 CC1=C(NC(=O)N=C1)N R000UL [0,2,0,0,0,0|1,0,0]=3 103 B9R1.69 CC1=CC(=C(C=C1)C)Br R000V7 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.69 CC1=CC(=NC=C1Br)N R0014M [0,2,0,0,0,0|1,0,0]=3 105 B9R1.69 CC1=NC(=C(C=C1)N)Cl R0010H [0,2,0,0,0,0|2,0,0]=4 106 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F R000SC [0,2,0,0,0,0|2,0,0]=4 107 B9R1.3 C1=NC(=C(C(=N1)Cl)F)Cl R000S1 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.3 CC1=C(C(=NC=C1)Cl)Br R0017R [0,2,0,0,0,0|1,0,0]=3 109 B9R1.34 CC1=CC(=NC(=O)N1)C R000S0 [0,2,0,0,0,0|2,0,0]=4