0 B9R1.15 CC1=C(CBr)N=CC=C1 4061731 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 CC1=C(CCl)C=CN=C1 4108233 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 CC1=C(CCl)N=CC=C1 4002155 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.15 CC1=C(CN)C=CN=C1 4010335 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.15 CC1=C(NN)C=CN=C1 4014009 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CC1=NC=CC=C1CCl 4048084 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CSC1=CC=CN=C1Br 4074696 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 N#CC1=C(Br)C=NC=C1 4029542 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.15 N#CC1=C(Br)N=CC=C1 4030942 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.15 NCC1=CC=CC=C1Br 4108297 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.15 NCC1=CC=CN=C1N 4037637 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.15 NCC1=NC=CC=C1Cl 4038421 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.15 O=C1NC=CC=C1CO 4021172 [0,0,0,0,0,0|1,0,3]=4 15 B9R1.15 O=CC1=CC=CN=C1Br 4003257 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.2 BrCC1=CN=CC=C1 4034752 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.2 NNC1=CC=CN=C1 4019584 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 NNC1=CC=NC=C1 4100548 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.5 CC1=C(O)N=CN=C1 4043028 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.5 NC1=CC=CN=C1O 4034758 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.2 CC1=C(Cl)C=CC=C1NN 4006262 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.2 CC1=NC=CC(C#N)=C1O 4075241 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.2 CN1C=CC=C(C=O)C1=O 4003630 [0,1,0,0,0,0|1,0,1]=3 26 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.4 CCSC1=CC=CC=C1N 4091232 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.4 CCSC1=CC=CC=C1N 9071805 [0,1,0,0,0,0|2,0,1]=4 29 B10R1.4 CNCC1=CC=CC=C1C 4028163 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.20 CNC1=NC=CC=C1C=O 4004446 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.20 COC1=CC=CN=C1CCl 4036580 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.20 COC1=NC=CC=C1C#N 4036733 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.20 COC1=NC=CC=C1CCl 4038448 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.25 CC1=CC=C(C=O)C(O)=C1 4002351 [0,1,0,0,0,0|0,0,0]=1 36 B10R1.25 CCC1=CC=C(C)C=C1O 4024388 [0,1,0,0,0,0|1,0,1]=3 37 B10R1.25 NCC1=C(O)C=C(O)C=C1 4026995 [0,1,0,0,0,0|1,0,1]=3 38 B10R1.30 CC1=CC=C(O)C(C=O)=N1 4034766 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.30 CCC1=C(Br)C=CC(O)=C1 4054989 [0,1,0,0,0,0|2,0,1]=4 40 B10R1.30 CCC1=C(N)C=CC(I)=C1 9071544 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.30 CCC1=CC(Cl)=CC=C1N 4040870 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.30 CCC1=CC(F)=CC=C1O 4031684 [0,1,0,0,0,0|1,0,1]=3 43 B10R1.30 CCC1=NC(C)=CC=C1O 5170366 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.30 COC1=C(C)C=CC(N)=C1 4030541 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.30 COC1=CC(N)=CC=C1O 4030053 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.30 N#CC1=C(O)C=CC(N)=C1 4044158 [0,1,0,0,0,0|1,0,1]=3 47 B10R1.30 N#CC1=CC(N)=CC=C1Br 4030306 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [0,1,0,0,0,0|1,0,1]=3 51 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [0,1,0,0,0,0|1,1,0]=3 52 B10R1.61 CC1=NC=NC=C1C(=O)O 4026899 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.61 CN(C)C1=C(N)C=CC=C1 5657224 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.61 NC(=O)C1=C(N)N=CN=C1 4030569 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [0,1,0,0,0,0|1,1,0]=3 58 B10R1.61 O=C(O)C1=C(O)N=CC=N1 4031675 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [0,1,0,0,0,0|1,1,0]=3 60 B10R1.61 O=C(O)C1=CN=CNC1=O 4030362 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.245 CSC1=C(O)C=CC=C1C 4031718 [0,1,0,0,0,0|2,0,0]=3 62 B10R2.7 C1=CC2=CC=NC=C2N1 4108319 [0,0,0,1,0,0|3,0,0]=4 63 B10R2.7 C1=CN=C2NN=CC2=C1 4031574 [0,0,0,1,0,0|3,0,0]=4 64 B8R1.11 CC1=C(C=O)SC=N1 3001799 [0,0,0,0,1,0|3,0,0]=4 65 B8R1.11 O=CC1=CSC=C1Br 4300332 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [1,1,0,0,0,0|2,0,0]=4 67 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.1 NC1=NC=C(C=O)C=N1 4006165 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.2 CC1=NC(C=O)=CC=N1 4086614 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [1,1,0,0,0,0|1,0,0]=3 72 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [1,1,0,0,0,0|1,1,0]=4 73 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.3 CC1=C(F)C(Br)=CC=C1 4108313 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.3 CC1=CC=CC(N)=C1O 4027492 [1,1,0,0,0,0|0,0,1]=3 77 B9R1.3 CC1=CC=CC(N)=C1O 4090457 [1,1,0,0,0,0|0,0,1]=3 78 B9R1.3 NC1=C(N)C(Br)=CC=C1 4067086 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.3 OC1=C(Cl)C=CC=C1Br 4083176 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.3 OC1=CC=NC(O)=C1Br 4031879 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.22 CC1=CC(C=O)=C(C)N1 4027546 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.132 CC1=CC=C(C=O)N1C 4029722 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.8 CC1=CC(C=O)=C(O)C(C)=C1 4016411 [0,2,0,0,0,0|0,0,0]=2 85 B11R1.8 O=CC1=CC(Cl)=CC(I)=C1O 6448206 [0,2,0,0,0,0|0,0,0]=2 86 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 4029010 [0,2,0,0,0,0|1,0,0]=3 87 B11R1.159 CN1C=CC=C(C(=O)O)C1=O 4016044 [0,2,0,0,0,0|1,0,1]=4 88 B11R1.265 COC1=C(C=O)C(Cl)=CC=N1 4091823 [0,2,0,0,0,0|1,0,0]=3 89 B11R1.265 COC1=C(C=O)C(I)=CC=N1 4030466 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.267 CCC1=CC=CC(CC)=C1O 4030293 [0,2,0,0,0,0|1,0,1]=4 91 B11R1.278 CC1=C(Cl)C(Cl)=C(C=O)C=C1 4045123 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.17 C=CCOC1=CC=CC=C1N 4023578 [0,2,0,0,0,0|2,0,0]=4 93 B11R1.41 CCC1=CC=CC=C1N=C=O 3001826 [0,2,0,0,0,0|1,0,1]=4 94 B11R1.41 COC1=CC=CC=C1CNN 4040117 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.41 COC1=CC=CC=C1CNN 4090874 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.81 O=C=NC1=C(Cl)C=C(Br)C=C1 3002519 [0,2,0,0,0,0|1,0,1]=4 97 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.86 CC(=O)NC1=NC=CC=C1O 4032188 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.86 O=C(O)CN1C=CC=CC1=O 4029932 [0,2,0,0,0,0|1,0,1]=4 102 B11R1.182 O=C=NC1=CC(F)=CC=C1F 3002065 [0,2,0,0,0,0|1,0,1]=4 103 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 4030196 [0,2,0,0,0,0|1,0,1]=4 104 B11R1.222 CNC(=O)C1=CC=CC=C1Br 5357048 [0,2,0,0,0,0|1,0,0]=3 105 B11R1.222 CNC(=O)C1=CC=CN=C1Cl 9071187 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.222 COC(=O)C1=CN=CN=C1O 4044390 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.37 COC1=C(C#N)C=C(N)C=C1 4031545 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.37 COC1=CC(C)=CC=C1C=O 4004828 [0,2,0,0,0,0|0,0,0]=2 109 B11R1.37 COC1=CC=C(C)N=C1C=O 4034767 [0,2,0,0,0,0|1,0,0]=3 110 B11R1.37 COC1=CC=C(Cl)C=C1C=O 3014153 [0,2,0,0,0,0|0,0,0]=2 111 B11R1.37 COC1=CC=C(Cl)C=C1NN 4006265 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.37 COC1=CC=C(Cl)C=C1NN 4089436 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.37 COC1=CC=C(O)C=C1C=O 9070716 [0,2,0,0,0,0|0,0,0]=2 114 B11R1.53 CNC1=NC=CC=C1C(=O)O 4020830 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.53 COC1=C(B(O)O)C=CC=C1 4200601 [0,2,0,0,0,0|1,0,1]=4 116 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,2,0,0,0,0|1,0,0]=3 117 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 4002882 [0,2,0,0,0,0|1,0,1]=4 119 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.166 CC1=NC(O)=C(C(=O)O)C=N1 4108285 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.166 NC(=O)C1=C(Cl)C=C(N)C=C1 4027619 [0,2,0,0,0,0|1,0,0]=3 122 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 4034754 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.464 C(=O)C1=C(O)N=C(N)N=C1N 4013068 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.464 C(=O)C1=C(O)N=C(N)N=C1N 4088828 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.167 CC1=CC(C(=O)O)=C(O)C=N1 4066855 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.167 NC(=O)C1=C(Br)C=CC(N)=C1 4033839 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=C1 4045207 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.167 NC(=O)C1=CC(Br)=CC=C1Cl 4032643 [0,2,0,0,0,0|1,0,0]=3 131 B11R1.167 NC(=O)C1=CC(N)=CC=C1Cl 5302786 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.167 NC(=O)C1=CC(N)=CC=C1F 4036164 [0,2,0,0,0,0|1,0,0]=3 133 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CC=C1 3002778 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.87 O=S(=O)(Cl)C1=C(F)C=CC=C1 3001593 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.156 CC1=C(C(=O)O)C(=O)NC=C1 4044277 [0,2,0,0,0,0|1,0,1]=4 136 B9R1.21 C=CN1C=C(C=O)C=N1 4028307 [0,0,1,1,0,0|2,0,0]=4 137 B11R2.106 BrC1=C2SC=CC2=CC=C1 4029546 [0,1,0,1,0,0|1,1,0]=4 138 B11R2.106 BrC1=CC=CC2=C1CCO2 4072546 [0,1,0,1,0,0|1,0,1]=4 139 B11R2.106 CC1=C2C=CNC2=CC=C1 4036770 [0,1,0,1,0,0|2,0,0]=4 140 B11R2.106 CC1=C2C=NNC2=CC=C1 4028681 [0,1,0,1,0,0|2,0,0]=4 141 B11R2.106 CC1=C2NN=CC2=CC=C1 4026959 [0,1,0,1,0,0|2,0,0]=4 142 B11R2.106 CC1=CC=CC2=C1C=CN2 3020087 [0,1,0,1,0,0|2,0,0]=4 143 B11R2.106 ClC1=C2C=NNC2=CC=C1 4027063 [0,1,0,1,0,0|2,0,0]=4 144 B11R2.106 NC1=C2CCOC2=CC=C1 4088054 [0,1,0,1,0,0|1,0,1]=4 145 B11R2.106 NC1=CC=CC2=C1C=NN2 4029340 [0,1,0,1,0,0|2,0,0]=4 146 B11R2.106 NC1=CC=CC2=C1NN=C2 4028875 [0,1,0,1,0,0|2,0,0]=4 147 B11R2.106 OC1=C2N=COC2=CC=C1 4032023 [0,1,0,1,0,0|0,0,1]=3 148 B11R2.106 OC1=CC=CN2N=CN=C12 4038681 [0,1,0,1,0,0|2,0,0]=4 149 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [0,1,0,1,0,0|1,0,0]=3 150 B11R2.10 NC1=NC2=NC=CC=C2O1 4032518 [0,1,0,1,0,0|2,0,0]=4 151 B11R2.20 C1=CC2=C(C=C1)OCCN2 4005008 [0,1,0,1,0,0|1,0,1]=4 152 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,1,0,1,0,0|2,0,0]=4 153 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [0,1,0,1,0,0|2,0,0]=4 154 B11R2.1 NC1=NOC2=C1C=CC=N2 4031139 [0,1,0,1,0,0|2,0,0]=4 155 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,1,0,1,0,0|1,0,1]=4 156 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [0,1,0,1,0,0|1,0,0]=3 157 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [0,1,0,1,0,0|2,0,0]=4 158 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [0,1,0,1,0,0|1,0,1]=4 159 B11R2.36 CC1=CC=C2NN=CC2=C1 4028132 [0,1,0,1,0,0|2,0,0]=4 160 B11R2.36 ClC1=CC=C2NN=CC2=C1 4028691 [0,1,0,1,0,0|2,0,0]=4 161 B11R2.36 FC1=CC=C2NN=CC2=C1 4028455 [0,1,0,1,0,0|2,0,0]=4 162 B11R2.36 NC1=CC=C2SN=CC2=C1 4044159 [0,1,0,1,0,0|1,1,0]=4 163 B11R2.36 OC1=CC=C2C=NOC2=C1 4036298 [0,1,0,1,0,0|1,0,0]=3