0 B7R1.3 NC1=NN=CC=C1 4030375 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 BrCC1=CN=CC=C1 4034752 [0,1,0,0,0,0|3,0,0]=4 2 B8R1.2 NNC1=CC=CN=C1 4019584 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.2 NNC1=CC=NC=C1 4100548 [0,1,0,0,0,0|0,0,0]=1 4 B8R1.2 NNC1=NC=CC=N1 4088465 [0,1,0,0,0,0|3,0,0]=4 5 B8R1.2 NNC1=NC=CC=N1 4100952 [0,1,0,0,0,0|3,0,0]=4 6 B8R1.3 BrC1=CN=C(I)C=C1 4045186 [0,1,0,0,0,0|3,0,0]=4 7 B8R1.3 CC1=CN=C(N)N=C1 5264664 [0,1,0,0,0,0|3,0,0]=4 8 B8R1.3 NC1=CC=C(I)C=N1 3001813 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.3 OC1=CC=C(O)N=C1 4030644 [0,1,0,0,0,0|3,0,0]=4 10 B8R1.4 CC1=CC(O)=NN=C1 4108288 [0,1,0,0,0,0|2,0,0]=3 11 B8R1.4 CC1=CC=NC(O)=N1 4040424 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.4 CC1=CC=NC(O)=N1 4089730 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.4 CC1=NC(Cl)=CC=N1 4015462 [0,1,0,0,0,0|2,0,0]=3 14 B8R1.4 CC1=NC=CC(Br)=C1 4014101 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.4 CC1=NC=NC(N)=C1 9072006 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.4 NC1=CC(Br)=CC=N1 4029341 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.4 NC1=CC(Br)=CN=C1 4006048 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.5 CC1=C(Br)C=CN=C1 4014100 [0,1,0,0,0,0|1,0,0]=2 19 B8R1.5 CC1=C(Br)C=CN=C1 4090923 [0,1,0,0,0,0|1,0,0]=2 20 B8R1.5 CC1=C(O)N=CN=C1 4043028 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.5 NC1=CC=CN=C1O 4034758 [0,1,0,0,0,0|2,0,0]=3 22 B6R1.2 BrC1=CNN=N1 4036633 [0,0,0,0,1,0|3,0,0]=4 23 B6R1.2 BrC1=CSC=N1 4108309 [0,0,0,0,1,0|3,0,0]=4 24 B6R1.2 BrC1=CSN=C1 4039606 [0,0,0,0,1,0|2,0,0]=3 25 B6R1.2 BrC1=NC=CO1 4039122 [0,0,0,0,1,0|3,0,0]=4 26 B6R1.2 ClC1=NN=CS1 4044890 [0,0,0,0,1,0|3,0,0]=4 27 B6R1.2 ClC1=NSN=C1 4085357 [0,0,0,0,1,0|3,0,0]=4 28 B6R1.2 IC1=NN=CN1 4036276 [0,0,0,0,1,0|3,0,0]=4 29 B6R1.2 NC1=NN=CO1 4044829 [0,0,0,0,1,0|2,0,0]=3 30 B6R1.2 NC1=NNN=C1 4013407 [0,0,0,0,1,0|2,0,0]=3 31 B6R1.2 NC1=NOC=C1 4034713 [0,0,0,0,1,0|2,0,0]=3 32 B6R1.2 NN1C=NN=C1 4036701 [0,0,0,0,1,0|2,0,0]=3 33 B6R1.2 O=C1NC=CN1 4029600 [0,0,0,0,1,0|3,0,0]=4 34 B6R1.2 OC1=CNN=C1 4037184 [0,0,0,0,1,0|2,0,0]=3 35 B6R1.2 OC1=NN=CO1 4044051 [0,0,0,0,1,0|3,0,0]=4 36 B6R1.2 OC1=NN=CS1 4044252 [0,0,0,0,1,0|3,0,0]=4 37 B7R1.1 CCC1=CNN=C1 4044718 [0,1,0,0,1,0|2,0,0]=4 38 B7R1.1 ClCC1=CN=CS1 4901510 [0,1,0,0,1,0|2,0,0]=4 39 B7R1.1 N#CC1=CN=CS1 4045875 [0,1,0,0,1,0|1,0,1]=4 40 B7R1.1 NCC1=CC=NN1 2102294 [0,1,0,0,1,0|1,0,0]=3 41 B7R1.1 NCC1=CC=NO1 2102257 [0,1,0,0,1,0|1,0,0]=3 42 B7R1.1 NCC1=CSC=C1 4089439 [0,1,0,0,1,0|1,0,0]=3 43 B7R1.1 NCC1=CSC=C1 4100798 [0,1,0,0,1,0|1,0,0]=3 44 B7R1.1 NCC1=CSC=N1 2102330 [0,1,0,0,1,0|2,0,0]=4 45 B7R1.1 NCC1=NC=CN1 4087964 [0,1,0,0,1,0|2,0,0]=4 46 B7R1.1 NCC1=NC=CN1 4101394 [0,1,0,0,1,0|2,0,0]=4 47 B7R1.1 NCC1=NC=CS1 2102321 [0,1,0,0,1,0|2,0,0]=4 48 B7R1.1 NCC1=NC=NN1 2102311 [0,1,0,0,1,0|2,0,0]=4 49 B7R1.1 OCC1=CNN=C1 4043566 [0,1,0,0,1,0|2,0,0]=4 50 B7R1.2 BrC1=CC(Br)=NN1 4109657 [0,1,0,0,1,0|2,0,0]=4 51 B7R1.2 CC1=NN=C(N)O1 4013100 [0,1,0,0,1,0|2,0,0]=4 52 B7R1.2 CC1=NNC(Br)=C1 4074511 [0,1,0,0,1,0|2,0,0]=4 53 B7R1.2 CC1=NNC(Cl)=C1 4029847 [0,1,0,0,1,0|2,0,0]=4 54 B7R1.2 CC1=NOC(N)=N1 4035358 [0,1,0,0,1,0|2,0,0]=4 55 B7R1.2 CN1C=C(Br)C=N1 4004341 [0,1,0,0,1,0|2,0,0]=4 56 B7R1.2 CN1C=C(N)C=N1 4019265 [0,1,0,0,1,0|1,0,0]=3 57 B7R1.2 CN1C=C(N)C=N1 4089175 [0,1,0,0,1,0|1,0,0]=3 58 B7R1.2 CN1C=C(N)N=N1 4013406 [0,1,0,0,1,0|2,0,0]=4 59 B7R1.2 CN1C=NC(Cl)=C1 4039772 [0,1,0,0,1,0|2,0,0]=4 60 B7R1.2 NC1=CC(O)=NO1 4085320 [0,1,0,0,1,0|1,0,0]=3 61 B7R1.2 NC1=NC(Br)=NS1 4046131 [0,1,0,0,1,0|2,0,0]=4 62 B7R1.2 NC1=NN=C(Br)S1 4029151 [0,1,0,0,1,0|2,0,0]=4 63 B7R1.2 NC1=NSC(N)=N1 4043447 [0,1,0,0,1,0|2,0,0]=4 64 B7R1.4 CC1=C(Br)N=CS1 4040458 [0,1,0,0,1,0|2,0,0]=4 65 B7R1.4 CC1=C(N)C=NN1 4033144 [0,1,0,0,1,0|1,0,0]=3 66 B7R1.4 CC1=CNN=C1O 4043114 [0,1,0,0,1,0|2,0,0]=4 67 B7R1.4 CC1=NN=CN1N 4040061 [0,1,0,0,1,0|2,0,0]=4 68 B7R1.4 CC1=NN=CN1N 4091143 [0,1,0,0,1,0|2,0,0]=4 69 B7R1.4 CC1=NNC=C1Cl 4045387 [0,1,0,0,1,0|2,0,0]=4 70 B7R1.4 CC1=NON=C1N 4029899 [0,1,0,0,1,0|2,0,0]=4 71 B7R1.4 CN1C=CN=C1N 4034680 [0,1,0,0,1,0|2,0,0]=4 72 B7R1.4 CN1C=CN=C1N 4085296 [0,1,0,0,1,0|2,0,0]=4 73 B7R1.4 CN1N=CC=C1Br 4035636 [0,1,0,0,1,0|2,0,0]=4 74 B7R1.4 CN1N=CN=C1N 4041869 [0,1,0,0,1,0|2,0,0]=4 75 B7R1.4 NC1=C(N)NN=C1 4043840 [0,1,0,0,1,0|1,0,0]=3 76 B7R1.4 NC1=NNC=C1Cl 4029514 [0,1,0,0,1,0|1,0,1]=4 77 B7R1.4 NC1=NON=C1N 4029427 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.1 C#CC1=CN=C(N)C=C1 4042859 [0,2,0,0,0,0|2,0,0]=4 79 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [0,2,0,0,0,0|2,0,0]=4 80 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [0,2,0,0,0,0|2,0,0]=4 81 B9R1.2 C#CC1=CC(C)=CC=N1 4035992 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.2 C=CC1=CC=CC(O)=C1 4081750 [0,2,0,0,0,0|2,0,0]=4 83 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [0,2,0,0,0,0|1,0,0]=3 84 B9R1.2 CC1=CC(NN)=NC=C1 4085298 [0,2,0,0,0,0|1,0,0]=3 85 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [0,2,0,0,0,0|2,0,0]=4 86 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [0,2,0,0,0,0|2,0,0]=4 87 B9R1.2 CC1=CC=NC(CN)=N1 4102709 [0,2,0,0,0,0|2,0,0]=4 88 B9R1.2 CC1=NC(C=O)=CC=N1 4086614 [0,2,0,0,0,0|2,0,0]=4 89 B9R1.2 CC1=NC(CO)=CC=N1 4044516 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.2 CC1=NC=CC(CCl)=C1 4046381 [0,2,0,0,0,0|1,0,0]=3 91 B9R1.2 CC1=NC=CC(CN)=C1 4019509 [0,2,0,0,0,0|0,0,0]=2 92 B9R1.2 CC1=NC=CC(NN)=C1 4019583 [0,2,0,0,0,0|0,0,0]=2 93 B9R1.2 CCC1=CC(N)=NC=N1 4037576 [0,2,0,0,0,0|1,0,0]=3 94 B9R1.2 CCC1=CC(O)=NC=N1 4038765 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.2 CNC1=NC(Cl)=NC=C1 4026366 [0,2,0,0,0,0|1,0,0]=3 96 B9R1.2 COC1=CC(Cl)=NC=N1 4016719 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.2 CSC1=NC(N)=NC=N1 4031708 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.2 N#CC1=CC(Br)=NC=C1 4029187 [0,2,0,0,0,0|0,0,1]=3 99 B9R1.2 N#CC1=CC(Cl)=NC=C1 4108299 [0,2,0,0,0,0|0,0,1]=3 100 B9R1.2 NC1=CC(CO)=CC=N1 4027705 [0,2,0,0,0,0|1,0,0]=3 101 B9R1.2 NCC1=CC(Cl)=NC=C1 4033586 [0,2,0,0,0,0|0,0,0]=2 102 B9R1.2 NCC1=CC(O)=NC=N1 4034681 [0,2,0,0,0,0|1,0,0]=3 103 B9R1.2 NNC1=NC(Br)=CC=C1 4043654 [0,2,0,0,0,0|2,0,0]=4 104 B9R1.2 NNC1=NC(Br)=CC=C1 4088733 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.2 OCC1=CC(Cl)=NC=C1 4031779 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [0,2,0,0,0,0|1,0,0]=3 107 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.6 OB(O)C1=CC=CC=C1 4087996 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.6 OB(O)C1=CC=CC=C1 4202242 [0,2,0,0,0,0|2,0,0]=4 110 B9R1.6 OB(O)C1=CC=NC=C1 3200984 [0,2,0,0,0,0|1,0,0]=3 111 B9R1.8 CNCC1=CC=CC=N1 4004537 [0,2,0,0,0,0|2,0,0]=4 112 B9R1.8 CNCC1=NC=NC=C1 4102726 [0,2,0,0,0,0|1,0,0]=3 113 B9R1.8 NCCC1=CC=CN=C1 4005651 [0,2,0,0,0,0|2,0,0]=4 114 B9R1.15 CC1=C(C#N)C=NC=N1 4044636 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.15 CC1=C(CCl)C=CN=C1 4108233 [0,2,0,0,0,0|1,0,0]=3 116 B9R1.15 CC1=C(CN)C=CN=C1 4010335 [0,2,0,0,0,0|0,0,0]=2 117 B9R1.15 CC1=C(NN)C=CN=C1 4014009 [0,2,0,0,0,0|0,0,0]=2 118 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [0,2,0,0,0,0|2,0,0]=4 119 B9R1.15 N#CC1=C(Br)C=NC=C1 4029542 [0,2,0,0,0,0|0,0,1]=3 120 B9R1.15 NCC1=CC=CC=C1Br 4108297 [0,2,0,0,0,0|1,0,0]=3 121 B9R1.15 NCC1=CC=CN=C1N 4037637 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.15 NCC1=NC=CC=C1Cl 4038421 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.69 CC1=C(C)N=C(N)N=C1 4028186 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.69 CC1=C(O)N=C(N)N=C1 4026647 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.69 CC1=CN=C(C)C=C1Cl 4055511 [0,2,0,0,0,0|1,0,0]=3 126 B9R1.69 CC1=CN=C(N)C(C)=C1 4043653 [0,2,0,0,0,0|2,0,0]=4 127 B9R1.69 CC1=CN=C(O)C=C1C 4051285 [0,2,0,0,0,0|1,0,0]=3 128 B9R1.69 CC1=CN=C(O)N=C1C 4038318 [0,2,0,0,0,0|2,0,0]=4 129 B9R1.69 CC1=NC(Cl)=C(C)C=N1 4026637 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.69 CC1=NC(N)=CC=C1I 4029456 [0,2,0,0,0,0|2,0,0]=4 131 B9R1.69 CC1=NC=C(Cl)C(O)=N1 4047922 [0,2,0,0,0,0|2,0,0]=4 132 B9R1.69 CC1=NNC(=O)C(Br)=C1 4040475 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.69 NC1=C(F)N=CC(Cl)=C1 4041624 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.69 NC1=CC(Br)=CN=C1Cl 4108308 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.69 NC1=CC=C(Br)C(N)=N1 4029327 [0,2,0,0,0,0|2,0,0]=4 136 B9R1.3 CC1=C(C)C(Br)=CC=N1 4015720 [0,2,0,0,0,0|1,0,0]=3 137 B9R1.3 CC1=C(C)C(Cl)=NN=C1 4086581 [0,2,0,0,0,0|2,0,0]=4 138 B9R1.3 CC1=C(C)C(N)=CC=N1 4015718 [0,2,0,0,0,0|0,0,0]=2 139 B9R1.3 CC1=C(C)C(N)=NC=N1 4037920 [0,2,0,0,0,0|1,0,0]=3 140 B9R1.3 CC1=C(C)C(O)=NC=N1 4039591 [0,2,0,0,0,0|2,0,0]=4 141 B9R1.3 CC1=C(F)C(Br)=CC=C1 4108313 [0,2,0,0,0,0|2,0,0]=4 142 B9R1.3 CC1=CC=CC(N)=C1O 4027492 [0,2,0,0,0,0|1,0,0]=3 143 B9R1.3 CC1=CC=CC(N)=C1O 4090457 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.3 CC1=CC=NC(N)=C1N 4029896 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.3 NC1=C(Br)C=CN=C1Cl 4103939 [0,2,0,0,0,0|1,0,0]=3 146 B9R1.3 NC1=C(N)C(Br)=CC=C1 4067086 [0,2,0,0,0,0|1,0,0]=3 147 B9R1.3 NC1=CN=CC(Br)=C1N 6122598 [0,2,0,0,0,0|0,0,0]=2 148 B9R1.3 O=C1NC=NC(Cl)=C1Br 4046535 [0,2,0,0,0,0|2,0,0]=4 149 B9R1.3 OC1=C(Cl)C=CC=C1Br 4083176 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.3 OC1=CC=NC(O)=C1Br 4031879 [0,2,0,0,0,0|1,0,0]=3 151 B9R1.34 CC1=CC(Br)=CC(C)=N1 4015719 [0,2,0,0,0,0|1,0,0]=3 152 B9R1.34 CC1=CC(Br)=NC(C)=C1 4036526 [0,2,0,0,0,0|1,0,0]=3 153 B9R1.34 CC1=CC(C)=NC(Cl)=N1 4900312 [0,2,0,0,0,0|2,0,0]=4 154 B9R1.34 CC1=CC(Cl)=NC(Cl)=N1 4045190 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.34 CC1=NC(O)=CC(Br)=N1 4040158 [0,2,0,0,0,0|2,0,0]=4 156 B5R1.1 C1=CSN=C1 4036435 [1,0,0,0,1,0|1,0,0]=3