0 B10R1.20 CNC1=NC=CC=C1C=O 4004446 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.20 COC1=CC=CN=C1CCl 4036580 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.20 COC1=NC=CC=C1C#N 4036733 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.20 COC1=NC=CC=C1CCl 4038448 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.15 CC1=C(CBr)N=CC=C1 4061731 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.15 CC1=C(CCl)C=CN=C1 4108233 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.15 CC1=C(CCl)N=CC=C1 4002155 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.15 CC1=C(CN)C=CN=C1 4010335 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.15 CC1=C(NN)C=CN=C1 4014009 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 CC1=NC=CC=C1CCl 4048084 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 CSC1=CC=CN=C1Br 4074696 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.15 NCC1=CC=CC=C1Br 4108297 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.15 O=CC1=CC=CN=C1Br 4003257 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.37 COC1=C(C#N)C=C(N)C=C1 4031545 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.37 COC1=CC=C(C)N=C1C=O 4034767 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.37 COC1=CC=C(Cl)C=C1C=O 3014153 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.37 COC1=CC=C(Cl)C=C1NN 4006265 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.37 COC1=CC=C(Cl)C=C1NN 4089436 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.37 COC1=CC=C(O)C=C1C=O 9070716 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.37 COC1=NC(C)=CC=C1C#N 4042836 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.41 CCC1=CC=CC=C1N=C=O 3001826 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.41 CCOC1=NC=CC=C1CN 4031357 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.41 COC1=CC=CC=C1CNN 4040117 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.41 COC1=CC=CC=C1CNN 4090874 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.41 COC1=NC=CC=C1CCO 4067982 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.53 CNC1=NC=CC=C1C(=O)O 4020830 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.53 COC1=C(B(O)O)C=CC=C1 4200601 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.265 COC1=C(C=O)C(Cl)=CC=N1 4091823 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.265 COC1=C(C=O)C(I)=CC=N1 4030466 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.265 COC1=NC=CC(Cl)=C1C#N 4045140 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.265 COC1=NC=CC(I)=C1C#N 4036781 [0,1,0,0,0,0|2,0,1]=4 35 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,0,0,1,0,0|2,0,1]=4 36 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.1 NC1=NOC2=C1C=CC=N2 4031139 [0,0,0,1,0,0|3,0,0]=4 38 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,0,0,1,0,0|1,0,1]=3 39 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.20 C1=CC2=C(C=C1)OCCN2 4005008 [0,0,0,1,0,0|1,0,1]=3 41 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.5 NC1=CC=CN=C1O 4034758 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.2 CC1=C(Cl)C=CC=C1NN 4006262 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.4 CCOC1=CC=CN=C1N 4027510 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.4 CCSC1=CC=CC=C1N 4091232 [1,1,0,0,0,0|1,1,0]=4 48 B10R1.4 CCSC1=CC=CC=C1N 9071805 [1,1,0,0,0,0|1,1,0]=4 49 B10R1.4 CNCC1=CC=CC=C1C 4028163 [1,1,0,0,0,0|0,0,2]=4 50 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.25 COC1=C(Br)C=C(C)N=C1 4056264 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.25 COC1=C(Br)N=C(C)C=C1 4030251 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.30 CC1=CC=C(O)C(C=O)=N1 4034766 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [1,1,0,0,0,0|2,0,0]=4 57 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [1,1,0,0,0,0|0,0,2]=4 60 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [1,1,0,0,0,0|0,0,1]=3 61 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [1,1,0,0,0,0|0,0,2]=4 65 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.245 COC1=C(Cl)C=CN=C1C 4082425 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.245 COC1=C(Cl)C=CN=C1Cl 4066686 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.245 COC1=C(N)C=CN=C1C 4077002 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.245 COC1=C(N)C=CN=C1Cl 4110612 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.245 CSC1=C(O)C=CC=C1C 4031718 [1,1,0,0,0,0|0,1,1]=4 75 B12R1.46 CNC1=CC=C(Br)C=C1C(=O)O 9071720 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.46 CNC1=CC=C(Cl)C=C1C(=O)O 9071783 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.46 COC1=C(B(O)O)C=C(Cl)C=C1 3200964 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.46 COC1=C(C(=O)O)C=C(C)N=C1 4053737 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.46 COC1=CC=C(Br)C=C1C(N)=O 9027573 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.46 COC1=CC=C(C)C=C1B(O)O 4008663 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.46 COC1=CC=C(F)C=C1B(O)O 4202998 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.46 COC1=CC=C(N)C=C1C(=O)O 4028692 [0,2,0,0,0,0|1,0,0]=3 83 B12R1.46 COC1=CC=C(N)C=C1C(=O)O 4088915 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.46 COC1=CC=C(N)C=C1C(N)=O 4033554 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 4004227 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.112 CCOC1=C(C#N)C=C(N)C=C1 4027180 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.112 CCOC1=CC=C(Cl)C=C1C=O 3014154 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.234 COC1=C(C)C=C(C)C=C1C=O 4016822 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.234 COC1=C(C=O)C=C(Cl)C=C1Br 7916267 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.268 CNCC1=CC(Br)=CC=C1OC 4091221 [0,2,0,0,0,0|0,0,2]=4 91 B12R1.268 CNCC1=CC(Br)=CC=C1OC 5539963 [0,2,0,0,0,0|0,0,2]=4 92 B12R1.268 CNCC1=CC(Cl)=CC=C1OC 4089865 [0,2,0,0,0,0|0,0,2]=4 93 B12R1.268 CNCC1=CC(Cl)=CC=C1OC 9071851 [0,2,0,0,0,0|0,0,2]=4 94 B12R1.268 COC1=C(N=C=O)C=C(Cl)C=C1 3002888 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.75 CC(C)OC1=CC=CC=C1C=O 3002726 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.75 CC(C)OC1=CC=CC=C1CO 9070892 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.75 COC1=CC=CC=C1CC(=N)N 4012625 [0,2,0,0,0,0|0,0,1]=3 98 B12R1.75 COC1=CC=CC=C1CC(=N)N 4090071 [0,2,0,0,0,0|0,0,1]=3 99 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 4004539 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.77 CNC(C)C1=C(OC)C=CC=C1 4090346 [0,2,0,0,0,0|0,0,2]=4 101 B12R1.121 C=CCOC1=CC=CC=C1CO 9071818 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.121 CCCOC1=C(CN)C=CC=C1 4027329 [0,2,0,0,0,0|1,0,1]=4 103 B12R1.121 CCCOC1=CC=CC=C1C=O 3005414 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.121 CCCOC1=CC=CC=C1CO 9071567 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.121 CCNCC1=CC=CC=C1OC 4026989 [0,2,0,0,0,0|0,0,2]=4 106 B12R1.121 CCNCC1=CC=CC=C1OC 4088856 [0,2,0,0,0,0|0,0,2]=4 107 B12R1.121 COC1=CC=CC=C1CCCN 4016891 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.121 N#CCOC1=C(C=O)C=CC=C1 4029763 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.169 CCOC1=C(CNC)C=CC=C1 9071585 [0,2,0,0,0,0|0,0,2]=4 110 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 4028696 [0,2,0,0,0,0|0,0,2]=4 111 B12R1.283 CCOC1=C([C@@H](C)N)C=CC=C1 4098602 [0,2,0,0,0,0|0,0,2]=4 112 B12R1.283 CCOC1=CC=CC=C1[C@H](C)N 4097798 [0,2,0,0,0,0|0,0,2]=4 113 B12R1.283 CCSC1=C(C(=O)O)C=CC=C1 3005255 [0,2,0,0,0,0|1,1,0]=4 114 B12R1.76 COC1=C(S(=O)(=O)Cl)C=CC=C1 4108295 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.87 COC1=C(C)C=CC=C1C(=O)O 4027500 [0,2,0,0,0,0|1,0,0]=3 116 B12R1.437 COC1=CC=CC(C)=C1C(=O)O 5126849 [0,2,0,0,0,0|1,0,0]=3 117 B10R1.172 COC1=NC=CC(C=O)=C1 4029564 [0,0,1,1,0,0|2,0,0]=4 118 B10R1.172 CSC1=CC=CC(C=O)=C1 4002911 [0,0,1,1,0,0|1,1,0]=4 119 B10R1.176 COC1=CC(N)=C(O)C=C1 4032274 [0,0,1,1,0,0|2,0,0]=4 120 B10R1.176 COC1=CC(N)=C(O)C=C1 4088485 [0,0,1,1,0,0|2,0,0]=4 121 B10R1.176 COC1=CC=C(N)C(F)=C1 4030309 [0,0,1,1,0,0|2,0,0]=4 122 B10R1.176 COC1=CC=C(N)C(F)=C1 4088880 [0,0,1,1,0,0|2,0,0]=4 123 B10R2.7 C1=CC2=CC=NC=C2N1 4108319 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 4108320 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.24 NC1=CC=C2C=CC=NC2=C1 4018528 [0,1,0,1,0,0|1,0,1]=4 126 B12R2.24 NC1COC2=CC=CC=C2C1 4018509 [0,1,0,1,0,0|0,0,2]=4 127 B12R2.24 OC1=CC=C2OCCOC2=C1 4003146 [0,1,0,1,0,0|1,0,1]=4 128 B12R2.132 CN1C=NC2=CC=C(N)C=C21 5665234 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.132 OC1=CC=C2ON=C(Cl)C2=C1 4086352 [0,1,0,1,0,0|2,0,0]=4 130 B12R2.612 C1=NC2=C(C=CC(N)=C2)N1C 4010985 [0,1,0,1,0,0|2,0,0]=4 131 B12R2.612 CC1=NOC2=CC(O)=CC=C21 4043535 [0,1,0,1,0,0|1,0,1]=4 132 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 9072049 [0,1,0,1,0,0|1,0,0]=3 133 B12R2.612 CN1C=NC2=C1C=CC(O)=C2 5807703 [0,1,0,1,0,0|2,0,0]=4 134 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 4029281 [0,1,0,1,0,0|2,0,0]=4 135 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 3001658 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.18 CN1C2=CC=CC=C2N=C1S 4009541 [0,1,0,1,0,0|2,0,0]=4 137 B12R2.315 COC1=C2C=CNC2=CC=C1 4036775 [0,1,0,1,0,0|0,0,0]=2 138 B12R2.315 NCC1=C2C=CNC2=CC=C1 4003293 [0,1,0,1,0,0|2,0,0]=4 139 B12R2.315 O=CC1=CC=CC2=NON=C12 4003964 [0,1,0,1,0,0|2,0,0]=4 140 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 4108305 [0,1,0,1,0,0|2,0,0]=4 141 B12R2.1081 O=C1NCCC2=CC=CC=C12 4045791 [0,1,0,1,0,0|2,0,0]=4 142 B12R2.1081 OC1=C2OCCOC2=CC=C1 4001963 [0,1,0,1,0,0|1,0,1]=4 143 B12R2.1081 OC1=CC=CC2=CN=CC=C12 4034700 [0,1,0,1,0,0|2,0,0]=4 144 B12R2.2028 CN1N=C(I)C2=CC=CC=C21 4026950 [0,1,0,1,0,0|2,0,0]=4 145 B12R2.2028 CN1N=C(N)C2=C1C=CC=C2 4026945 [0,1,0,1,0,0|2,0,0]=4 146 B12R2.196 CN1C=CC2=C(Cl)C=CN=C21 4038240 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.196 CN1C=CC2=C1C=CC=C2N 4031789 [0,1,0,1,0,0|1,0,0]=3