0 B9R1.6 N=C(N)C1=NC=CC=N1 4043543 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.2 BrCC1=CN=CC=C1 4034752 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.2 C#CC1=CN=CN=C1 4035047 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.2 N#CC1=CC=CN=N1 4036463 [1,0,0,0,0,0|1,0,2]=4 7 B8R1.2 NNC1=CC=CN=C1 4019584 [1,0,0,0,0,0|1,0,0]=2 8 B8R1.2 NNC1=CC=NC=C1 4100548 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4032792 [0,1,0,0,0,0|3,0,0]=4 10 B10R1.13 CC(N)C1=CC=C(O)C=C1 4026855 [0,1,0,0,0,0|2,0,1]=4 11 B10R1.13 CC(N)C1=CC=C(O)C=C1 4088847 [0,1,0,0,0,0|2,0,1]=4 12 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4025309 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 CC1=NC=C(C(=O)O)C=N1 4087896 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.13 CC1=NN=C(C(=N)N)C=C1 4045209 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4012620 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4031955 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [0,1,0,0,0,0|1,0,1]=3 21 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [0,1,0,0,0,0|0,0,2]=3 22 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 4009816 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.28 O=S(=O)(Cl)C1=CN=CC=C1 4089351 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.61 CC(=O)C1=CC=CNC1=O 4048059 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4102676 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.61 CC(N)C1=C(O)C=CC=C1 4027030 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.61 CC1=C(C(N)=S)C=CC=C1 4009956 [0,1,0,0,0,0|1,1,0]=3 28 B10R1.61 CC1=NC=NC=C1C(=O)O 4026899 [0,1,0,0,0,0|2,0,0]=3 29 B10R1.61 C[C@@H](N)C1=C(Cl)C=CC=C1 4107864 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 4096051 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.61 NC(=O)C1=C(N)N=CN=C1 4030569 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.61 NC(=S)C1=C(F)C=CC=C1 4015422 [0,1,0,0,0,0|1,1,0]=3 33 B10R1.61 NC1=CC=NC=C1B(O)O 4067674 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.61 O=C(O)C1=C(O)N=CC=N1 4031675 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.61 O=C(O)C1=C(S)N=CC=C1 3001563 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.61 O=C(O)C1=CN=CNC1=O 4030362 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 4031737 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 4098754 [0,1,0,0,0,0|2,0,1]=4 39 B10R1.113 NC(=O)C1=CC(I)=NC=C1 4030202 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.113 NC(=O)C1=CN=CC(O)=C1 5511865 [0,1,0,0,0,0|0,0,0]=1 41 B10R1.113 NC(=O)C1=NC(Cl)=CN=C1 4035919 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4015121 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.113 NC1=NC=CC(C(=O)O)=C1 4089569 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 4108289 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 4028732 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.7 CC(=O)C1=NC=CN1 4040695 [0,0,0,0,1,0|2,0,0]=3 47 B8R1.7 CC(=O)C1=NC=NN1 4040504 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.7 CC(N)C1=CC=CS1 4100658 [0,0,0,0,1,0|2,0,1]=4 49 B8R1.7 CC(N)C1=CSC=C1 4100800 [0,0,0,0,1,0|2,0,1]=4 50 B8R1.7 CC(N)C1=NC=CN1 4040236 [0,0,0,0,1,0|2,0,1]=4 51 B8R1.7 CC(N)C1=NC=CS1 2102323 [0,0,0,0,1,0|2,0,1]=4 52 B8R1.7 N=C(N)C1=CC=CO1 4030998 [0,0,0,0,1,0|2,0,0]=3 53 B8R1.7 N=C(N)C1=CNC=N1 4058485 [0,0,0,0,1,0|2,0,0]=3 54 B8R1.7 NC(=S)C1=NOC=N1 4016419 [0,0,0,0,1,0|2,1,0]=4 55 B8R1.7 O=C(O)C1=CC=NS1 4031031 [0,0,0,0,1,0|2,0,0]=3 56 B8R1.7 O=C(O)C1=CN=NN1 4401560 [0,0,0,0,1,0|3,0,0]=4 57 B8R1.7 O=C(O)C1=CSC=N1 2402329 [0,0,0,0,1,0|2,0,0]=3 58 B8R1.7 O=C(O)C1=CSN=C1 4402356 [0,0,0,0,1,0|2,0,0]=3 59 B8R1.7 O=C(O)C1=NNC=C1 3001705 [0,0,0,0,1,0|2,0,0]=3 60 B8R1.7 O=C(O)C1=NOC=C1 2402252 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.7 O=C(O)C1=NON=C1 4401609 [0,0,0,0,1,0|3,0,0]=4 62 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,0,0,0,0,1|1,0,0]=2 63 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,0,0,0,0,1|1,0,1]=3 66 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [0,0,0,0,0,1|2,0,1]=4 67 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [0,0,0,0,0,1|2,0,1]=4 68 B10R1.18 N=C(N)CC1=CC=CN=C1 4031165 [0,0,0,0,0,1|1,0,0]=2 69 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,0,0,0,0,1|3,0,0]=4 70 B7R1.3 NC1=NN=CC=C1 4030375 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.1 C#CC1=CC=C(C)N=C1 4035058 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.1 C#CC1=CN=C(N)C=C1 4042859 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.1 CC1=CN=C(C=O)C=N1 4039255 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.1 CC1=NC=C(C=O)C=N1 4014571 [1,1,0,0,0,0|1,0,0]=3 75 B9R1.1 CSC1=CN=C(Br)C=C1 4028893 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.1 NC1=NC=C(C=O)C=N1 4006165 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.2 O=CC1=CC(Br)=CN=C1 4011095 [1,1,0,0,0,0|0,0,0]=2 79 B9R1.8 BrCCC1=CC=CN=C1 4054467 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.8 NCCC1=CC=CN=C1 4005651 [1,1,0,0,0,0|0,0,1]=3 81 B9R1.8 NCCC1=NC=CN=C1 4003591 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.8 NCCC1=NC=CN=C1 4091207 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.15 CC1=NC=CC=C1CCl 4048084 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.15 COC1=C(Cl)N=CC=C1 4034759 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 CSC1=CC=CN=C1Br 4074696 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 N#CC1=C(Br)N=CC=C1 4030942 [1,1,0,0,0,0|0,0,2]=4 87 B9R1.15 NCC1=CC=CC=C1Br 4108297 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.15 NCC1=CC=CN=C1N 4037637 [1,1,0,0,0,0|0,0,1]=3 89 B9R1.15 NNC1=NC=CN=C1Cl 4029304 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.15 O=CC1=CC=CN=C1Br 4003257 [1,1,0,0,0,0|0,0,0]=2 91 B9R1.11 COC(=O)C1=NNC=C1 4027720 [0,1,0,0,1,0|2,0,0]=4 92 B9R1.11 NNC(=O)C1=CC=NN1 4036018 [0,1,0,0,1,0|1,0,0]=3 93 B9R1.11 NNC(=O)C1=CN=CO1 4043165 [0,1,0,0,1,0|1,0,0]=3 94 B9R1.11 NNC(=O)C1=CNN=C1 4043426 [0,1,0,0,1,0|1,0,0]=3 95 B9R1.11 N\C(=N/O)C1=CC=CO1 4031756 [0,1,0,0,1,0|1,0,1]=4 96 B9R1.35 CC(=O)C1=CC(C)=CS1 4004647 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.35 CC(=O)C1=CN(C)N=C1 4034761 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.35 CC(=O)C1=CN=C(N)O1 4043735 [0,1,0,0,1,0|2,0,0]=4 99 B9R1.35 CC(=O)C1=NC(C)=CN1 4041054 [0,1,0,0,1,0|2,0,0]=4 100 B9R1.35 CC1=CC=C(C(=N)N)O1 4042651 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.35 CC1=CNC(C(=O)O)=N1 4401881 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.35 CC1=NC(C(=O)O)=CN1 4018371 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.35 CC1=NC(C(=O)O)=CS1 4087997 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.35 CC1=NC(C(=O)O)=CS1 4400182 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.35 CC1=NOC(C(=O)O)=C1 4402542 [0,1,0,0,1,0|2,0,0]=4 106 B9R1.35 CN1C=C(C(=O)O)C=N1 4005269 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.35 CN1C=CC(C(=O)O)=N1 4401286 [0,1,0,0,1,0|2,0,0]=4 108 B9R1.35 NC(=O)C1=CC(Br)=CS1 9071903 [0,1,0,0,1,0|1,0,0]=3 109 B9R1.35 NC(=O)C1=CC=C(Br)O1 9071676 [0,1,0,0,1,0|1,0,0]=3 110 B9R1.35 NC(=O)C1=CC=C(Br)S1 6131131 [0,1,0,0,1,0|1,0,0]=3 111 B9R1.35 NC(=O)C1=NC(Br)=NN1 4039970 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.35 NC(=O)C1=NC(Cl)=NN1 4040265 [0,1,0,0,1,0|2,0,0]=4 113 B9R1.35 NC(=O)C1=NC(N)=NN1 4040714 [0,1,0,0,1,0|2,0,0]=4 114 B9R1.35 NC(=O)C1=NNC(N)=C1 4036122 [0,1,0,0,1,0|1,0,0]=3 115 B9R1.35 NC1=CC(C(=O)O)=NN1 4016158 [0,1,0,0,1,0|2,0,0]=4 116 B9R1.35 O=C(O)C1=CC(Br)=CN1 4029556 [0,1,0,0,1,0|1,0,1]=4 117 B9R1.35 O=C(O)C1=CC(Cl)=CN1 4029972 [0,1,0,0,1,0|1,0,1]=4 118 B9R1.35 O=C(O)C1=CC(Cl)=NO1 4036344 [0,1,0,0,1,0|2,0,0]=4 119 B9R1.35 O=C(O)C1=CC(O)=NO1 4010290 [0,1,0,0,1,0|2,0,0]=4 120 B9R1.35 O=C(O)C1=CC=C(Br)S1 3001713 [0,1,0,0,1,0|2,0,0]=4 121 B9R1.35 O=C(O)C1=CC=C(Cl)O1 4029336 [0,1,0,0,1,0|2,0,0]=4 122 B9R1.35 O=C(O)C1=CC=C(Cl)S1 3002594 [0,1,0,0,1,0|2,0,0]=4 123 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [0,1,0,0,1,0|2,0,0]=4 124 B9R1.41 CC(=O)C1=C(C)N=CS1 4006179 [0,1,0,0,1,0|2,0,0]=4 125 B9R1.41 CC(=O)C1=C(C)NN=C1 4017057 [0,1,0,0,1,0|2,0,0]=4 126 B9R1.41 CC(=O)C1=CC=NN1C 4030373 [0,1,0,0,1,0|2,0,0]=4 127 B9R1.41 CC1=C(C(=O)O)C=CN1 4043878 [0,1,0,0,1,0|1,0,1]=4 128 B9R1.41 CC1=C(C(=O)O)C=NO1 3001678 [0,1,0,0,1,0|2,0,0]=4 129 B9R1.41 CC1=C(C(=O)O)N=CN1 4108169 [0,1,0,0,1,0|2,0,0]=4 130 B9R1.41 CC1=C(C(=O)O)N=CN1 4402344 [0,1,0,0,1,0|2,0,0]=4 131 B9R1.41 CC1=C(C(=O)O)N=CO1 4015603 [0,1,0,0,1,0|2,0,0]=4 132 B9R1.41 CC1=C(C(=O)O)SC=N1 4402151 [0,1,0,0,1,0|2,0,0]=4 133 B9R1.41 CC1=NNC=C1C(=N)N 4012628 [0,1,0,0,1,0|2,0,0]=4 134 B9R1.41 CN1N=CC=C1C(=O)O 4401287 [0,1,0,0,1,0|2,0,0]=4 135 B9R1.41 NC(=O)C1=C(N)C=NN1 4034474 [0,1,0,0,1,0|1,0,0]=3 136 B9R1.41 NC1=C(C(=O)O)C=NN1 6690708 [0,1,0,0,1,0|2,0,0]=4 137 B9R1.41 NC1=CSN=C1C(=O)O 4108475 [0,1,0,0,1,0|2,0,0]=4 138 B9R1.41 NC1=NSC=C1C(=O)O 4047031 [0,1,0,0,1,0|2,0,0]=4 139 B9R1.41 O=C(O)C1=C(Br)C=NN1 4029787 [0,1,0,0,1,0|2,0,0]=4 140 B9R1.41 O=C(O)C1=NNC=C1Cl 4029915 [0,1,0,0,1,0|2,0,0]=4 141 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 4006878 [0,1,0,0,0,1|1,0,0]=3 142 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 4033333 [0,1,0,0,0,1|1,0,0]=3 143 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4012626 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 4088244 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4034823 [0,1,0,0,0,1|1,0,0]=3 146 B11R1.36 O=C(O)C(=O)C1=CC=CN=C1 4087936 [0,1,0,0,0,1|1,0,0]=3 147 B11R1.40 CC(CN)OC1=CN=CC=C1 4004846 [0,1,0,0,0,1|1,0,1]=4 148 B11R1.40 NNC(=O)CC1=CC=CC=C1 3002732 [0,1,0,0,0,1|1,0,0]=3 149 B11R1.40 NNC(=O)CC1=CC=NC=C1 4036772 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.40 NNC(=O)CC1=NC=CC=C1 4036750 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.40 O=C(CBr)NC1=CC=CC=C1 4023663 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.40 O=C(CCl)NC1=CC=CC=C1 3002954 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.86 CC(=O)NC1=CC=CN=C1Cl 9070591 [0,1,0,0,0,1|1,0,0]=3 154 B11R1.86 O=C(O)CN1C=CC=NC1=O 4028397 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 5475603 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4108227 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 4033483 [0,1,0,0,0,1|1,0,0]=3 158 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 4032345 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 4025310 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 4025320 [0,2,0,0,0,0|2,0,0]=4 161 B11R1.3 COC1=NC=C(C(=O)O)C=N1 4016813 [0,2,0,0,0,0|2,0,0]=4 162 B11R1.3 COC1=NN=C(C(=O)O)C=C1 4000181 [0,2,0,0,0,0|2,0,0]=4 163 B11R1.3 CSC1=CC=C(C(=N)N)C=C1 4019315 [0,2,0,0,0,0|2,0,0]=4 164 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 4016801 [0,2,0,0,0,0|2,0,0]=4 165 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 4043316 [0,2,0,0,0,0|1,0,0]=3 166 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 4035889 [0,2,0,0,0,0|1,0,0]=3 167 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4085301 [0,2,0,0,0,0|1,0,0]=3 168 B11R1.19 CS(=O)(=O)C1=CN=C(Cl)C=C1 4036589 [0,2,0,0,0,0|2,0,0]=4 169 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4033239 [0,2,0,0,0,0|2,0,0]=4 170 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 4091214 [0,2,0,0,0,0|2,0,0]=4 171 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4041103 [0,2,0,0,0,0|1,0,0]=3 172 B11R1.21 CC1=C(N)C=CC(C(N)=O)=C1 4034074 [0,2,0,0,0,0|1,0,0]=3 173 B11R1.21 CC1=CC=C(C(N)=O)C=C1Br 7056783 [0,2,0,0,0,0|1,0,0]=3 174 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4022851 [0,2,0,0,0,0|1,0,1]=4 175 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 4035424 [0,2,0,0,0,0|2,0,0]=4 176 B11R1.21 NC(=O)C1=CC(N)=C(F)C=C1 4033986 [0,2,0,0,0,0|1,0,0]=3 177 B11R1.22 CC1=NC=C(C(=O)NN)C=N1 4042587 [0,2,0,0,0,0|1,0,0]=3 178 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 5348174 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 4031601 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.22 CNC(=O)C1=NN=C(Br)C=C1 4040855 [0,2,0,0,0,0|1,0,0]=3 181 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl 4029816 [0,2,0,0,0,0|1,0,0]=3 182 B11R1.166 CC(=O)C1=CNC(=O)N=C1C 4033476 [0,2,0,0,0,0|2,0,0]=4 183 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 4002882 [0,2,0,0,0,0|1,0,1]=4 184 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4400687 [0,2,0,0,0,0|1,0,0]=3 185 B11R1.166 CC1=NC(Br)=CC=C1[N+](=O)[O-] 4108310 [0,2,0,0,0,0|2,0,0]=4 186 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 4019260 [0,2,0,0,0,0|2,0,0]=4 187 B11R1.166 CC1=NC(N)=NC=C1C(=O)O 4030807 [0,2,0,0,0,0|2,0,0]=4 188 B11R1.166 CC1=NC(O)=C(C(=O)O)C=N1 4108285 [0,2,0,0,0,0|2,0,0]=4 189 B11R1.166 CC1=NC=C(C(=O)O)C(=O)N1 4030825 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.166 NC(=O)C1=C(Cl)C=C(N)C=C1 4027619 [0,2,0,0,0,0|1,0,0]=3 191 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1N 4033628 [0,2,0,0,0,0|1,0,0]=3 192 B11R1.166 NC1=NC(Br)=CC=C1[N+](=O)[O-] 4045111 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.166 NC1=NC(O)=NC=C1C(=O)O 4028564 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 4041390 [0,2,0,0,0,0|1,0,0]=3 195 B11R1.12 CCC(NC)C1=CC=CN=C1 4026590 [0,2,0,0,0,0|1,0,1]=4 196 B11R1.23 CNC(=O)C1=CC(Br)=CC=C1 5651817 [0,2,0,0,0,0|1,0,0]=3 197 B11R1.23 CNC(=O)C1=CC(Cl)=NC=C1 4027632 [0,2,0,0,0,0|2,0,0]=4 198 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 4045612 [0,2,0,0,0,0|2,0,0]=4 199 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 4028395 [0,2,0,0,0,0|2,0,0]=4 200 B11R1.23 NNC(=O)C1=CC=CC(O)=C1 3002796 [0,2,0,0,0,0|1,0,0]=3 201 B11R1.222 CC1=C(C(=O)NN)C=NC=N1 4043071 [0,2,0,0,0,0|1,0,0]=3 202 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 4030196 [0,2,0,0,0,0|1,0,1]=4 203 B11R1.222 CNC(=O)C1=CC=CC=C1Br 5357048 [0,2,0,0,0,0|1,0,0]=3 204 B11R1.222 CNC(=O)C1=CC=CN=C1Cl 9071187 [0,2,0,0,0,0|0,0,0]=2 205 B11R1.222 COC(=O)C1=CN=CN=C1O 4044390 [0,2,0,0,0,0|2,0,0]=4 206 B11R1.53 CNC1=NC=CC=C1C(=O)O 4020830 [0,2,0,0,0,0|1,0,0]=3 207 B11R1.53 NCC1=CC=CC=C1C(=O)O 4028019 [0,2,0,0,0,0|2,0,0]=4 208 B11R1.156 CC(=O)C1=C(Cl)N=CN=C1Cl 4043816 [0,2,0,0,0,0|2,0,0]=4 209 B11R1.156 CC1=C(C(=O)O)C(=O)NC=C1 4044277 [0,2,0,0,0,0|1,0,1]=4 210 B11R1.156 CC1=NC=CC(C)=C1[N+](=O)[O-] 4036823 [0,2,0,0,0,0|2,0,0]=4 211 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 4029010 [0,2,0,0,0,0|1,0,0]=3 212 B11R1.159 CN1C=CC=C(C(=O)O)C1=O 4016044 [0,2,0,0,0,0|1,0,1]=4 213 B11R1.167 NC(=O)C1=C(Br)C=CC(N)=C1 4033839 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=C1 4045207 [0,2,0,0,0,0|1,0,0]=3 215 B11R1.167 NC(=O)C1=CC(Br)=CC=C1Cl 4032643 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.167 NC(=O)C1=CC(N)=CC=C1Cl 5302786 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.167 NC(=O)C1=CC(N)=CC=C1F 4036164 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.266 C#CC1=CC(C(=O)O)=CC=C1 4004240 [0,2,0,0,0,0|2,0,0]=4 219 B11R1.266 N#CC1=CC(C(N)=O)=CC=C1 4044349 [0,2,0,0,0,0|1,0,0]=3 220 B11R2.10 CC1=NC2=CC=CN=C2N1 4031661 [0,0,0,1,0,1|1,0,0]=3 221 B11R2.10 NC1=NC2=C(C=CC=C2)O1 4030771 [0,0,0,1,0,1|1,0,1]=4 222 B11R2.10 NC1=NC2=NC=CC=C2O1 4032518 [0,0,0,1,0,1|1,0,0]=3 223 B11R2.10 SC1=NC2=C(N=CC=C2)N1 4016422 [0,0,0,1,0,1|0,1,0]=3 224 B11R2.1 BrC1=NNC2=NC=CC=C12 4045670 [0,1,0,1,0,0|1,0,0]=3 225 B11R2.1 CC1=NNC2=CC=CC=C21 4041962 [0,1,0,1,0,0|2,0,0]=4 226 B11R2.1 IC1=NNC2=CC=CC=C21 4027330 [0,1,0,1,0,0|2,0,0]=4 227 B11R2.1 NC1=C2C=CC=NC2=NS1 4049786 [0,1,0,1,0,0|0,1,0]=3 228 B11R2.1 NC1=NNC2=NC=CC=C12 4030179 [0,1,0,1,0,0|1,0,0]=3 229 B11R2.1 NC1=NOC2=C1C=CC=N2 4031139 [0,1,0,1,0,0|0,0,1]=3 230 B11R2.1 NC1=NOC2=C1N=CC=N2 4046744 [0,1,0,1,0,0|1,0,1]=4 231 B11R2.1 O=C1NCC2=CC=CC=C12 4041876 [0,1,0,1,0,0|1,0,0]=3 232 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [0,1,0,1,0,0|2,0,0]=4 233 B7R1.1 NCC1=CC=NN1 2102294 [1,0,0,0,1,0|1,0,1]=4 234 B7R1.1 NCC1=CC=NO1 2102257 [1,0,0,0,1,0|1,0,1]=4 235 B7R1.1 NCC1=CSC=C1 4089439 [1,0,0,0,1,0|1,0,1]=4 236 B7R1.1 NCC1=CSC=C1 4100798 [1,0,0,0,1,0|1,0,1]=4 237 B7R1.1 NCC1=CSC=N1 2102330 [1,0,0,0,1,0|1,0,1]=4 238 B7R1.1 NCC1=NC=CN1 4087964 [1,0,0,0,1,0|1,0,1]=4 239 B7R1.1 NCC1=NC=CN1 4101394 [1,0,0,0,1,0|1,0,1]=4 240 B7R1.1 NCC1=NC=CS1 2102321 [1,0,0,0,1,0|1,0,1]=4 241 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,0,0,0,0,2|2,0,0]=4 242 B11R1.91 N=C(N)NCC1=CC=CC=C1 4032915 [0,0,0,0,0,2|2,0,0]=4 243 B11R1.91 N=C(N)NCC1=CC=CN=C1 4015988 [0,0,0,0,0,2|1,0,0]=3 244 B11R1.91 N=C(N)NCC1=CC=CN=C1 4088063 [0,0,0,0,0,2|1,0,0]=3 245 B11R1.91 O=C(O)CCC1=NC=CN=C1 4003578 [0,0,0,0,0,2|2,0,0]=4 246 B11R1.91 O=C(O)CNC1=CC=CN=C1 4110417 [0,0,0,0,0,2|1,0,0]=3