0 B9R1.8 BrCCC1=CC=CN=C1 4054467 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.8 BrCCC1=NC=CC=C1 4028495 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.8 BrCCC1=NC=CC=C1 4090022 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.8 CNCC1=CC=CC=N1 4004537 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.8 CNCC1=NC=NC=C1 4102726 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.8 NCCC1=CC=CN=C1 4005651 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.8 NCCC1=NC=CN=C1 4003591 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 NCCC1=NC=CN=C1 4091207 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.2 BrCC1=CN=CC=C1 4034752 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 ClCC1=NC=CC=N1 4009659 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.2 N#CC1=CC=CN=N1 4036463 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.2 NNC1=NC=CC=N1 4088465 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.2 NNC1=NC=CC=N1 4100952 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.1 CC1=CC=C(CNN)C=C1 4015023 [0,1,0,0,0,0|3,0,0]=4 14 B10R1.1 CC1=CC=C(CNN)C=C1 4088792 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.1 CCNC1=NN=C(Br)C=C1 4039823 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.1 CCOC1=CC=C(Cl)N=N1 4032638 [0,1,0,0,0,0|2,0,0]=3 17 B10R1.1 CCSC1=CC=C(N)C=C1 4027323 [0,1,0,0,0,0|2,0,0]=3 18 B10R1.1 CCSC1=CC=C(N)C=C1 4088201 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.1 CNCC1=CC=C(C)C=C1 4004536 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.1 CNCC1=CC=C(Cl)N=C1 4035407 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.1 CSCC1=CC=C(Cl)N=C1 4039957 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.1 NNCC1=CC=C(Cl)C=C1 4014992 [0,1,0,0,0,0|3,0,0]=4 23 B10R1.1 NNCC1=CC=C(Cl)C=C1 4108287 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.1 NNCC1=CC=C(F)C=C1 4014991 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.1 NOCC1=CC=C(Cl)C=C1 4004196 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.1 OCCC1=CC=C(Br)C=C1 4108291 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.4 CC1=C(CNN)C=CC=C1 4015027 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.4 CC1=CC=CN=C1CCO 4040975 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.4 CCOC1=CC=CN=C1N 4027510 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.4 CCSC1=CC=CC=C1N 4091232 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.4 CCSC1=CC=CC=C1N 9071805 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.4 CNCC1=C(C)C=NC=C1 4010336 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.4 CNCC1=C(C)C=NC=C1 4089764 [0,1,0,0,0,0|3,0,0]=4 34 B10R1.4 CNCC1=CC=CC=C1C 4028163 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.4 CNCC1=CC=CN=C1Cl 4019511 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.4 CNCC1=CC=CN=C1Cl 4090749 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.4 CNCC1=NC=CC=C1C 4003220 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.4 NNCC1=C(Cl)C=CC=C1 4041333 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.10 CC1=CC=CC(CCN)=N1 4002941 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.10 CC1=CC=CC(CNN)=C1 4014990 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.10 CC1=CC=CC(CNN)=C1 4089043 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.10 CC1=NC(CCBr)=CC=C1 4030426 [0,1,0,0,0,0|1,0,0]=2 43 B10R1.10 CCNC1=NC(Cl)=NC=C1 4026367 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.10 CCOC1=CC=NC(Cl)=N1 4035418 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.10 CCSC1=NC(N)=NC=N1 4030338 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.10 CCSC1=NC=CC(N)=N1 4030498 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.10 CNCC1=CC=CC(O)=C1 4028180 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.10 COCC1=CC(Cl)=NC=N1 4037697 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.10 COCC1=CC(N)=NC=N1 4038286 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.10 COCC1=CC(O)=NC=N1 4038620 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.10 NC1=NC(CCO)=CC=C1 4078676 [0,1,0,0,0,0|1,0,0]=2 52 B10R1.10 NCCC1=CC(O)=NC=N1 4034682 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.10 NNCC1=CC=CC(Cl)=C1 4015030 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.10 OCCC1=NC(Cl)=CC=C1 4110388 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.15 CCC(=O)C1=CC=CC=N1 4034373 [0,1,0,0,0,0|0,0,1]=2 56 B10R1.15 CCC(N)C1=CC=CN=C1 4026589 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.15 CCC(N)C1=CC=NC=C1 4011086 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.15 CCC(N)C1=NC=CC=C1 4025877 [0,1,0,0,0,0|0,0,0]=1 59 B10R1.15 CNC(C)C1=CC=NC=C1 4087979 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.15 CNC(C)C1=CC=NC=C1 4089962 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.15 CNC(C)C1=CC=NC=C1 4102792 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.15 CNC(C)C1=CN=CC=C1 4089365 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.15 CNC(C)C1=CN=CC=C1 4102793 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.15 CNC(C)C1=NC=CC=C1 4090171 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.15 CNC(C)C1=NC=CC=C1 4102794 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.15 CNC(C)C1=NC=NC=C1 4102730 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.15 NCC(O)C1=CN=CC=C1 4013988 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.17 BrCCCC1=CC=CN=C1 4027035 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.17 C=CCCC1=CC=CN=C1 4073007 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.17 CCNCC1=NC=CC=C1 9070750 [0,1,0,0,0,0|0,0,0]=1 71 B10R1.17 CNCCC1=CC=NC=C1 4004718 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.17 CNCCC1=CC=NC=C1 4087817 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.17 ICCOC1=CC=CC=C1 5101649 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.17 N#CCCC1=NC=CC=C1 4027495 [0,1,0,0,0,0|0,0,1]=2 75 B10R1.17 NCCCC1=CC=CN=C1 4003523 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.17 NCCCC1=CC=NC=C1 4003521 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.17 NCCCC1=NC=CC=C1 4004571 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.17 NCCNC1=CC=CN=C1 4019594 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.17 NCCSC1=CC=CC=C1 4087772 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.17 NCCSC1=NC=CC=C1 4004872 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.17 NC\C=C\C1=CC=CC=C1 4027604 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.17 OCCNC1=CC=CC=N1 5107563 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.17 [N-]=[N+]=NCC1=CC=CC=N1 4035865 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.18 CC(=O)CC1=CC=CN=C1 4301933 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.18 CC(=O)CC1=NC=CC=C1 4301932 [0,1,0,0,0,0|0,0,1]=2 86 B10R1.18 CC(=O)CC1=NC=CN=C1 4003592 [0,1,0,0,0,0|1,0,1]=3 87 B10R1.18 CC(N)CC1=CN=CC=C1 4002035 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.18 CC(N)CC1=NC=CN=C1 4010867 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.18 CC(N)CC1=NC=CN=C1 4087844 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.18 CC(O)CC1=NC=CC=C1 4041318 [0,1,0,0,0,0|0,0,0]=1 91 B10R1.18 N=C(N)CC1=NC=CC=C1 4029560 [0,1,0,0,0,0|1,0,1]=3 92 B10R2.7 C1=CN=C2NN=CC2=C1 4031574 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.8 BrCCN1C=CC=N1 4016104 [0,0,0,0,1,0|2,0,0]=3 94 B8R1.8 BrCCN1C=CN=C1 4010927 [0,0,0,0,1,0|3,0,0]=4 95 B8R1.8 BrCCN1C=NC=N1 4010929 [0,0,0,0,1,0|3,0,0]=4 96 B8R1.8 CCCC1=CNN=C1 4044489 [0,0,0,0,1,0|2,0,0]=3 97 B8R1.8 CCCC1=NNC=N1 4040033 [0,0,0,0,1,0|2,0,0]=3 98 B8R1.8 CCCC1C=CCN1 4029126 [0,0,0,0,1,0|0,0,3]=4 99 B8R1.8 CNCC1=CC=CO1 2102243 [0,0,0,0,1,0|2,0,0]=3 100 B8R1.8 CNCC1=CC=CS1 4100657 [0,0,0,0,1,0|2,0,0]=3 101 B8R1.8 CNCC1=CC=NN1 2102295 [0,0,0,0,1,0|2,0,1]=4 102 B8R1.8 CNCC1=CSC=C1 4100799 [0,0,0,0,1,0|2,0,0]=3 103 B8R1.8 CNCC1=CSC=N1 2102331 [0,0,0,0,1,0|2,0,0]=3 104 B8R1.8 CNCC1=NC=CN1 4101395 [0,0,0,0,1,0|2,0,0]=3 105 B8R1.8 CNCC1=NC=CS1 2102322 [0,0,0,0,1,0|2,0,0]=3 106 B8R1.8 CNCC1=NOC=N1 2102273 [0,0,0,0,1,0|3,0,0]=4 107 B8R1.8 COCC1=NNC=N1 4036227 [0,0,0,0,1,0|3,0,0]=4 108 B8R1.8 ClCCC1=CNN=C1 4013290 [0,0,0,0,1,0|3,0,0]=4 109 B8R1.8 ClCCC1=NC=CN1 4045713 [0,0,0,0,1,0|2,0,0]=3 110 B8R1.8 ClCCN1C=CC=N1 4017546 [0,0,0,0,1,0|2,0,0]=3 111 B8R1.8 ClCCN1C=NC=N1 4010918 [0,0,0,0,1,0|3,0,0]=4 112 B8R1.8 NCCC1=CC=CO1 4100671 [0,0,0,0,1,0|2,0,0]=3 113 B8R1.8 NCCC1=CC=NN1 4003532 [0,0,0,0,1,0|2,0,1]=4 114 B8R1.8 NCCC1=CNN=C1 4101520 [0,0,0,0,1,0|3,0,0]=4 115 B8R1.8 NCCC1=CSC=N1 4004027 [0,0,0,0,1,0|2,0,0]=3 116 B8R1.8 NCCC1=NC=CN1 4013124 [0,0,0,0,1,0|2,0,0]=3 117 B8R1.8 NCCC1=NC=CS1 4100726 [0,0,0,0,1,0|2,0,0]=3 118 B8R1.8 NCCN1C=CC=C1 4028584 [0,0,0,0,1,0|2,0,0]=3 119 B8R1.8 NCCN1C=CC=N1 2102292 [0,0,0,0,1,0|2,0,0]=3 120 B8R1.8 NCCN1C=CC=N1 4087747 [0,0,0,0,1,0|2,0,0]=3 121 B8R1.8 NCCN1C=CN=C1 4100002 [0,0,0,0,1,0|3,0,0]=4 122 B8R1.8 NCCN1C=CN=N1 4035308 [0,0,0,0,1,0|3,0,0]=4 123 B8R1.8 NCCN1C=NC=N1 2102316 [0,0,0,0,1,0|3,0,0]=4 124 B8R1.8 NCCN1C=NC=N1 4088664 [0,0,0,0,1,0|3,0,0]=4 125 B8R1.8 NNCC1=CC=CS1 4044222 [0,0,0,0,1,0|3,0,0]=4 126 B8R1.8 OCCC1=CNN=C1 4000128 [0,0,0,0,1,0|3,0,0]=4 127 B8R1.8 OCCC1=CON=C1 4009737 [0,0,0,0,1,0|3,0,0]=4 128 B8R1.8 OCCC1=NOC=N1 4045443 [0,0,0,0,1,0|3,0,0]=4 129 B8R1.8 OCCN1C=CC=N1 4027736 [0,0,0,0,1,0|2,0,0]=3 130 B8R1.8 OCCN1C=NC=N1 4010917 [0,0,0,0,1,0|3,0,0]=4 131 B7R1.3 NC1=NN=CC=C1 4030375 [2,0,0,0,0,0|2,0,0]=4 132 B9R0.48 C=C(C)\C=C\C(=O)OCC 4074677 [0,1,1,0,0,0|2,0,0]=4 133 B9R1.1 C#CC1=CC=C(C)C=N1 4035578 [1,1,0,0,0,0|0,0,2]=4 134 B9R1.1 CC1=CN=C(CO)C=N1 4037601 [1,1,0,0,0,0|2,0,0]=4 135 B9R1.1 CC1=NC=C(CCl)N=C1 4081395 [1,1,0,0,0,0|2,0,0]=4 136 B9R1.1 CNC1=NC=C(Br)C=C1 4031713 [1,1,0,0,0,0|1,0,0]=3 137 B9R1.1 CNC1=NC=C(I)C=C1 4087606 [1,1,0,0,0,0|1,0,0]=3 138 B9R1.1 CNC1=NN=C(Br)C=C1 4035399 [1,1,0,0,0,0|2,0,0]=4 139 B9R1.1 COC1=NN=C(Br)C=C1 4040879 [1,1,0,0,0,0|2,0,0]=4 140 B9R1.1 NCC1=NC=C(Cl)C=N1 4042491 [1,1,0,0,0,0|2,0,0]=4 141 B9R1.2 C#CC1=CC(C)=CC=N1 4035992 [1,1,0,0,0,0|0,0,2]=4 142 B9R1.2 C#CC1=CC=CC(C)=N1 4036372 [1,1,0,0,0,0|0,0,2]=4 143 B9R1.2 CC1=CC(CN)=NC=C1 4018186 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.2 CC1=CC(NN)=NC=C1 4085298 [1,1,0,0,0,0|2,0,0]=4 145 B9R1.2 CC1=CC=CC(CCl)=N1 4006197 [1,1,0,0,0,0|1,0,0]=3 146 B9R1.2 CC1=CC=CC(CCl)=N1 4087831 [1,1,0,0,0,0|1,0,0]=3 147 B9R1.2 CC1=CC=CC(CN)=N1 4102566 [1,1,0,0,0,0|1,0,0]=3 148 B9R1.2 CC1=CC=CC(NN)=N1 4033592 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.2 CC1=CC=NC(CN)=N1 4102709 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.2 CC1=NC(CO)=CC=N1 4044516 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.2 CCC1=CC(N)=NC=N1 4037576 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.2 CCC1=CC(O)=NC=N1 4038765 [1,1,0,0,0,0|1,0,0]=3 153 B9R1.2 CNC1=NC(Br)=CN=C1 4041525 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.2 CNC1=NC(Cl)=NC=C1 4026366 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.2 COC1=CC(Cl)=NC=N1 4016719 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.2 CSC1=NC(Cl)=CC=C1 4030827 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.2 ClCC1=NC(Cl)=CC=C1 4036655 [1,1,0,0,0,0|1,0,0]=3 158 B9R1.2 NCC1=CC(O)=NC=N1 4034681 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.2 NNC1=NC(Br)=CC=C1 4043654 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.2 NNC1=NC(Br)=CC=C1 4088733 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.2 OCC1=NC=CC(Cl)=C1 4014670 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.6 NC(=S)C1=NC=CC=C1 4017339 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.15 CC1=C(CBr)N=CC=C1 4061731 [1,1,0,0,0,0|1,0,0]=3 164 B9R1.15 CC1=C(CCl)N=CC=C1 4002155 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.15 CC1=NC=CN=C1CCl 4036445 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.15 CC1=NC=CN=C1CO 4036444 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.15 CCC1=NC=CNC1=O 4045735 [1,1,0,0,0,0|1,0,0]=3 168 B9R1.15 CNC1=C(N)C=CC=N1 4045715 [1,1,0,0,0,0|1,0,0]=3 169 B9R1.15 CNC1=NC=CN=C1Cl 4043851 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.15 NCC1=CC=CC=C1Br 4108297 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.15 NCC1=NC=CC=C1Cl 4038421 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.7 CC1=CC=C(CCN)O1 4004579 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.7 CC1=CN(CCN)N=C1 4026810 [0,1,0,0,1,0|2,0,0]=4 174 B9R1.7 CC1=CN(CCO)N=C1 4027774 [0,1,0,0,1,0|2,0,0]=4 175 B9R1.7 CC1=CSC(CCN)=N1 4004037 [0,1,0,0,1,0|2,0,0]=4 176 B9R1.7 CC1=NC(CCCl)=CS1 4028614 [0,1,0,0,1,0|2,0,0]=4 177 B9R1.7 CC1=NC(CCO)=CS1 4026097 [0,1,0,0,1,0|2,0,0]=4 178 B9R1.7 CC1=NN(CCBr)C=C1 4001944 [0,1,0,0,1,0|2,0,0]=4 179 B9R1.7 CC1=NN(CCCl)C=C1 4014435 [0,1,0,0,1,0|2,0,0]=4 180 B9R1.7 CC1=NN(CCN)C=C1 4108972 [0,1,0,0,1,0|2,0,0]=4 181 B9R1.7 CC1=NN(CCO)C=C1 4027119 [0,1,0,0,1,0|2,0,0]=4 182 B9R1.7 CCCC1=NC(Br)=NN1 4041375 [0,1,0,0,1,0|2,0,0]=4 183 B9R1.7 CCCC1=NC(Br)=NO1 4039847 [0,1,0,0,1,0|2,0,0]=4 184 B9R1.7 CCCC1=NC(N)=NO1 4040751 [0,1,0,0,1,0|2,0,0]=4 185 B9R1.7 CCCC1=NC=C(Br)N1 4043150 [0,1,0,0,1,0|1,0,0]=3 186 B9R1.7 CCCC1=NN=C(Br)S1 4086994 [0,1,0,0,1,0|2,0,0]=4 187 B9R1.7 CCCC1=NN=C(Cl)S1 4044258 [0,1,0,0,1,0|2,0,0]=4 188 B9R1.7 CCCC1=NN=C(N)O1 4025567 [0,1,0,0,1,0|2,0,0]=4 189 B9R1.7 CCCC1=NN=C(N)S1 4031279 [0,1,0,0,1,0|2,0,0]=4 190 B9R1.7 CCCC1=NNC(N)=N1 6741358 [0,1,0,0,1,0|2,0,0]=4 191 B9R1.7 CCCN1C=C(N)C=N1 4036149 [0,1,0,0,1,0|1,0,0]=3 192 B9R1.7 CCCN1C=C(N)N=N1 4013409 [0,1,0,0,1,0|2,0,0]=4 193 B9R1.7 CCCN1C=NC(N)=N1 4013412 [0,1,0,0,1,0|2,0,0]=4 194 B9R1.7 CNCC1=CC=C(C)O1 4004552 [0,1,0,0,1,0|2,0,0]=4 195 B9R1.7 CNCC1=CC=C(C)S1 4088696 [0,1,0,0,1,0|2,0,0]=4 196 B9R1.7 CNCC1=CC=C(C)S1 4100661 [0,1,0,0,1,0|2,0,0]=4 197 B9R1.7 CNCC1=CSC(C)=N1 4101062 [0,1,0,0,1,0|2,0,0]=4 198 B9R1.7 CNCC1=NC(C)=CN1 4101884 [0,1,0,0,1,0|2,0,0]=4 199 B9R1.7 CNCC1=NC(C)=CS1 4101071 [0,1,0,0,1,0|2,0,0]=4 200 B9R1.7 CNCC1=NNC(C)=C1 4002231 [0,1,0,0,1,0|2,0,0]=4 201 B9R1.7 CNCC1=NOC(C)=C1 4003549 [0,1,0,0,1,0|2,0,0]=4 202 B9R1.7 ClC1=CN(CCBr)N=C1 4010925 [0,1,0,0,1,0|2,0,0]=4 203 B9R1.7 NC1=NC(CCO)=CS1 4026104 [0,1,0,0,1,0|2,0,0]=4 204 B9R1.7 NCCC1=CSC(N)=N1 4010280 [0,1,0,0,1,0|2,0,0]=4 205 B9R1.7 NCCN1C=C(Cl)C=N1 4031697 [0,1,0,0,1,0|2,0,0]=4 206 B9R1.7 OCCN1C=C(Cl)C=N1 4027668 [0,1,0,0,1,0|2,0,0]=4 207 B9R1.11 CC(CN)N1C=CC=N1 4028321 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.11 CC(CO)N1C=CC=N1 4026993 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.11 CCC(N)C1=CC=CS1 4089935 [0,1,0,0,1,0|1,0,0]=3 210 B9R1.11 CCC(N)C1=CC=CS1 4101664 [0,1,0,0,1,0|1,0,0]=3 211 B9R1.11 CCC(N)C1=NC=CS1 4006224 [0,1,0,0,1,0|1,0,0]=3 212 B9R1.11 CNC(C)C1=CC=CS1 4088898 [0,1,0,0,1,0|2,0,0]=4 213 B9R1.11 CNC(C)C1=CC=CS1 4100659 [0,1,0,0,1,0|2,0,0]=4 214 B9R1.12 BrCCCN1C=CN=C1 4036279 [0,1,0,0,1,0|2,0,0]=4 215 B9R1.12 CNCCN1C=CN=C1 4010595 [0,1,0,0,1,0|2,0,0]=4 216 B9R1.12 ClCCCN1C=CC=N1 4027320 [0,1,0,0,1,0|1,0,0]=3 217 B9R1.12 NCCCC1=CC=CO1 4028902 [0,1,0,0,1,0|1,0,0]=3 218 B9R1.12 NCCCC1=NC=CN1 4013125 [0,1,0,0,1,0|1,0,0]=3 219 B9R1.12 NCCCN1C=CC=C1 4027319 [0,1,0,0,1,0|1,0,0]=3 220 B9R1.12 NCCCN1C=CC=N1 4004508 [0,1,0,0,1,0|1,0,0]=3 221 B9R1.12 NCCCN1C=CN=N1 4030501 [0,1,0,0,1,0|2,0,0]=4 222 B9R1.12 NCCCN1C=NC=N1 4004704 [0,1,0,0,1,0|2,0,0]=4 223 B9R1.12 O=CCCN1C=CC=N1 4010920 [0,1,0,0,1,0|1,0,1]=4 224 B9R1.12 OCCCC1=CNN=C1 4002908 [0,1,0,0,1,0|2,0,0]=4 225 B9R1.12 OCCCC1=CON=C1 4009738 [0,1,0,0,1,0|2,0,0]=4 226 B9R1.12 OCCCN1C=CC=N1 4010681 [0,1,0,0,1,0|1,0,0]=3 227 B9R1.12 OCCCN1C=CN=C1 4010926 [0,1,0,0,1,0|2,0,0]=4 228 B9R1.12 OCCCN1C=CN=C1 4088216 [0,1,0,0,1,0|2,0,0]=4 229 B9R1.12 OCCCN1C=NC=N1 4010928 [0,1,0,0,1,0|2,0,0]=4 230 B9R1.13 CC(=O)CC1=CC=CS1 4041410 [0,1,0,0,1,0|1,0,1]=4 231 B9R1.13 CC(=O)CN1C=CC=N1 4027130 [0,1,0,0,1,0|1,0,1]=4 232 B9R1.13 CC(C)CC1=NC=CN1 4039941 [0,1,0,0,1,0|1,0,0]=3 233 B9R1.13 CC(N)CN1C=CC=N1 4004436 [0,1,0,0,1,0|1,0,0]=3 234 B9R1.13 CC(N)CN1C=NC=N1 4001638 [0,1,0,0,1,0|2,0,0]=4 235 B9R1.33 CC1=C(CCN)N=CN1 4050822 [0,1,0,0,1,0|2,0,0]=4 236 B9R1.33 CC1=CC=NN1CCCl 4014437 [0,1,0,0,1,0|2,0,0]=4 237 B9R1.33 CC1=CC=NN1CCN 4016694 [0,1,0,0,1,0|2,0,0]=4 238 B9R1.33 CCCN1N=CC=C1N 4014296 [0,1,0,0,1,0|1,0,0]=3 239 B9R1.33 CCCN1N=CN=C1Br 4045534 [0,1,0,0,1,0|2,0,0]=4 240 B9R1.33 CN1C=CC=C1CCN 4004553 [0,1,0,0,1,0|1,0,1]=4 241 B9R1.33 CN1C=CN=C1CCCl 4042694 [0,1,0,0,1,0|2,0,0]=4 242 B9R1.33 CN1C=CN=C1CCN 4029034 [0,1,0,0,1,0|2,0,0]=4 243 B9R1.33 CN1C=CN=C1CCO 4038692 [0,1,0,0,1,0|2,0,0]=4 244 B9R1.33 CNCC1=C(C)C=CS1 4004556 [0,1,0,0,1,0|2,0,0]=4 245 B9R1.33 CNCC1=C(C)C=CS1 4091068 [0,1,0,0,1,0|2,0,0]=4 246 B9R1.33 CNCC1=NC=CN1C 4101396 [0,1,0,0,1,0|2,0,0]=4 247 B11R1.1 CC1=CC=C(CCCN)C=C1 4016876 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.1 CC1=CC=C(SCCN)C=C1 6873887 [0,2,0,0,0,0|2,0,0]=4 249 B11R1.1 CCCSC1=CC=C(N)C=C1 9071293 [0,2,0,0,0,0|1,0,0]=3 250 B11R1.1 CCNCC1=CC=C(Br)C=C1 4028726 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.1 CCNCC1=CC=C(Br)C=C1 4090790 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4024922 [0,2,0,0,0,0|1,0,0]=3 253 B11R1.1 CCNCC1=CC=C(Cl)C=C1 4091184 [0,2,0,0,0,0|1,0,0]=3 254 B11R1.1 CCNCC1=CC=C(F)C=C1 4090089 [0,2,0,0,0,0|1,0,0]=3 255 B11R1.1 CCNCC1=CC=C(F)C=C1 9072018 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.1 NCCCC1=CC=C(Cl)C=C1 4101635 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.1 NCCCC1=CC=C(F)C=C1 4016879 [0,2,0,0,0,0|1,0,0]=3 258 B11R1.1 NCCOC1=CC=C(Br)C=C1 4030874 [0,2,0,0,0,0|2,0,0]=4 259 B11R1.1 NCCOC1=CC=C(Cl)C=C1 4028889 [0,2,0,0,0,0|2,0,0]=4 260 B11R1.1 NCCOC1=CC=C(F)C=C1 4015013 [0,2,0,0,0,0|2,0,0]=4 261 B11R1.1 NCCOC1=CC=C(F)C=C1 4090877 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.1 OCCSC1=CC=C(Cl)N=N1 4035582 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.20 CC(=O)CC1=CC=C(C)C=N1 4002457 [0,2,0,0,0,0|0,0,1]=3 264 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 4089951 [0,2,0,0,0,0|2,0,0]=4 265 B11R1.20 CC(C)NC1=CC=C(Br)C=C1 5940253 [0,2,0,0,0,0|2,0,0]=4 266 B11R1.20 CC(C)NC1=CC=C(Cl)N=N1 4032608 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.20 CC(C)OC1=NN=C(Cl)C=C1 6675045 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4006321 [0,2,0,0,0,0|1,0,0]=3 269 B11R1.22 CCC(N)C1=CC=C(C)C=C1 4089191 [0,2,0,0,0,0|1,0,0]=3 270 B11R1.22 CCC(N)C1=CC=C(F)C=C1 4110680 [0,2,0,0,0,0|1,0,0]=3 271 B11R1.22 CCC(N)C1=CC=C(O)C=C1 4028779 [0,2,0,0,0,0|1,0,0]=3 272 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4034627 [0,2,0,0,0,0|0,0,0]=2 273 B11R1.22 CCC(N)C1=NC=C(C)C=C1 4089751 [0,2,0,0,0,0|0,0,0]=2 274 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 5101702 [0,2,0,0,0,0|1,0,0]=3 275 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 4105606 [0,2,0,0,0,0|1,0,0]=3 276 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 4104518 [0,2,0,0,0,0|1,0,0]=3 277 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 4095607 [0,2,0,0,0,0|1,0,0]=3 278 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 4107200 [0,2,0,0,0,0|1,0,0]=3 279 B11R1.22 CNC(C)C1=CC=C(Cl)C=C1 5588069 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4027169 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.22 CNC(C)C1=CC=C(F)C=C1 4090293 [0,2,0,0,0,0|2,0,0]=4 282 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4039922 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 4027242 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.83 CCC1=CC=C(CNC)C=C1 4004362 [0,2,0,0,0,0|2,0,0]=4 285 B11R1.83 CCC1=CC=C(CNC)C=C1 4090753 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.83 CCC1=CN=C(CNC)C=C1 4011746 [0,2,0,0,0,0|1,0,0]=3 287 B11R1.83 CCCC1=NC=C(C#N)C=N1 4029653 [0,2,0,0,0,0|1,0,0]=3 288 B11R1.83 CCNC1=NC=C(C#N)C=N1 4030366 [0,2,0,0,0,0|2,0,0]=4 289 B11R1.83 CCOC1=CC=C(C=O)C=N1 4031638 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.83 CCSC1=NC=C(C=O)C=N1 4013717 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.83 COCC1=NC=C(C=O)C=N1 4026767 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.192 CCNC1=CC=C(Br)C(C)=C1 4029408 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4030157 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.13 CNCC1=CC=CC(C)=C1C 4033515 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.17 CC1=C(NCCN)N=CC=C1 4019581 [0,2,0,0,0,0|1,0,0]=3 296 B11R1.17 CC1=C(OCCN)C=CC=C1 4030987 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.17 CC1=C(OCCN)C=CC=C1 4089934 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.17 CCCSC1=CC=CC=C1N 4088576 [0,2,0,0,0,0|1,0,0]=3 299 B11R1.17 CCCSC1=CC=CC=C1N 9070713 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.17 CCNCC1=CC=CC=C1C 4028579 [0,2,0,0,0,0|1,0,0]=3 301 B11R1.17 CCNCC1=CC=CC=C1Cl 4024924 [0,2,0,0,0,0|1,0,0]=3 302 B11R1.17 CCNCC1=CC=CC=C1Cl 4089658 [0,2,0,0,0,0|1,0,0]=3 303 B11R1.17 COCOC1=CC=CC=C1Br 4003017 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.17 NCCCC1=C(F)C=CC=C1 4019782 [0,2,0,0,0,0|1,0,0]=3 305 B11R1.17 NCCCC1=CC=CC=C1Cl 4087888 [0,2,0,0,0,0|1,0,0]=3 306 B11R1.17 NCCCN1C=CC=CC1=O 4044394 [0,2,0,0,0,0|2,0,0]=4 307 B11R1.17 NCCOC1=CC=CC=C1Cl 4026894 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.17 NCCOC1=CC=CC=C1F 4015039 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.17 NCCOC1=CC=CC=C1F 4090505 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.41 CCOC1=NC=CC=C1CN 4031357 [0,2,0,0,0,0|1,0,0]=3 311 B11R1.86 CC(=O)CC1=C(C)C=CC=N1 4002455 [0,2,0,0,0,0|0,0,1]=3 312 B11R1.86 CC(=O)NC1=NC=CC=C1O 4032188 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.86 CC(C)OC1=CC=CC=C1N 4003147 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.86 CC(C)OC1=CC=CC=C1N 4089404 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.86 CC(C)SC1=CC=CC=C1N 9071574 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.86 CC1=C(CC(=O)O)N=CC=C1 4081067 [0,2,0,0,0,0|1,0,1]=4 317 B11R1.86 CN(C)CC1=CC=CC=C1N 4016941 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.86 CN(C)CC1=CC=CC=C1N 4089185 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.222 CCC(N)C1=NC=CC=C1C 4026905 [0,2,0,0,0,0|0,0,0]=2 320 B11R1.605 CCOC1=C(N)C=CC=C1Cl 4026787 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.23 CCC(N)C1=NC(C)=CC=C1 4033878 [0,2,0,0,0,0|0,0,0]=2 322 B11R1.23 CCC(N)C1=NC=CC(C)=C1 4032948 [0,2,0,0,0,0|0,0,0]=2 323 B11R1.23 CCN(C)C1=NC=NC(Cl)=C1 4028704 [0,2,0,0,0,0|2,0,0]=4 324 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 4045612 [0,2,0,0,0,0|1,0,1]=4 325 B11R1.23 NCC(O)C1=CC=CC(=O)N1 4062727 [0,2,0,0,0,0|1,0,1]=4 326 B11R1.24 CC1=CC(CCCN)=CC=C1 4028384 [0,2,0,0,0,0|1,0,0]=3 327 B11R1.24 CC1=CC(OCCN)=CC=C1 4001815 [0,2,0,0,0,0|2,0,0]=4 328 B11R1.24 CC1=CC=NC(NCCN)=C1 4019599 [0,2,0,0,0,0|1,0,0]=3 329 B11R1.24 CCNCC1=CC=CC(Br)=C1 4027171 [0,2,0,0,0,0|1,0,0]=3 330 B11R1.24 CCNCC1=CC=CC(Br)=C1 4089307 [0,2,0,0,0,0|1,0,0]=3 331 B11R1.24 NC1=CC(OCCCl)=CC=C1 4028361 [0,2,0,0,0,0|2,0,0]=4 332 B11R1.24 NC1=CC(OCCCl)=CC=C1 4090880 [0,2,0,0,0,0|2,0,0]=4 333 B11R1.24 NC1=CC=CC(OCCO)=C1 4030762 [0,2,0,0,0,0|2,0,0]=4 334 B11R1.24 NCCCC1=CC(F)=CC=C1 4019785 [0,2,0,0,0,0|1,0,0]=3 335 B11R1.24 NCCOC1=CC(Cl)=CC=C1 4015036 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.24 OCCNC1=NC=NC(Cl)=C1 7404777 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.34 CC1=CC(C)=NC(CCN)=N1 4003006 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.34 CC1=CC(O)=NC(CCN)=N1 4010818 [0,2,0,0,0,0|2,0,0]=4 339 B11R1.34 CC1=NC(CCN)=CC(O)=N1 4034686 [0,2,0,0,0,0|2,0,0]=4 340 B11R1.34 CCCC1=NC(C)=CC(Cl)=N1 4013311 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.34 CCOC1=NC(N)=NC(C)=C1 4028583 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.34 CNCC1=NC(C)=CC(C)=C1 4003222 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.34 NCCC1=NC(O)=CC(N)=N1 4010820 [0,2,0,0,0,0|2,0,0]=4 344 B11R1.34 NCCC1=NC(O)=CC(O)=N1 4010819 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 4002456 [0,2,0,0,0,0|0,0,1]=3 346 B11R1.157 CC(=O)CC1=CC=CC(C)=N1 4000002 [0,2,0,0,0,0|0,0,1]=3 347 B11R1.157 CC(C)NC1=CC=NC(Cl)=N1 4028728 [0,2,0,0,0,0|2,0,0]=4 348 B11R1.157 CC(C)NC1=NC=NC(Cl)=C1 4027715 [0,2,0,0,0,0|2,0,0]=4 349 B11R1.189 CCCC1=NC=CC(C#N)=C1 4040617 [0,2,0,0,0,0|0,0,0]=2 350 B11R1.189 CCOC1=CC(C=O)=CC=C1 3002619 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.189 CNCC1=CC(OC)=CC=C1 4004535 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.189 CNCC1=CC(OC)=CC=C1 4087815 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.189 CNCC1=CC(SC)=CC=C1 4002913 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.189 CNCC1=NC=CC(OC)=C1 4088040 [0,2,0,0,0,0|1,0,0]=3 355 B11R1.12 CCC(NC)C1=CC=CC=C1 4088018 [0,2,0,0,0,0|1,0,0]=3 356 B11R1.12 CCC(NC)C1=CC=CC=C1 6871471 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.12 CCC(NC)C1=CC=CN=C1 4026590 [0,2,0,0,0,0|2,0,0]=4 358 B11R1.12 CCC(NC)C1=NC=CC=C1 4025878 [0,2,0,0,0,0|0,0,0]=2 359 B11R1.12 O=CC(C=O)C1=CC=CC=N1 4034743 [0,2,0,0,0,0|1,0,1]=4 360 B11R1.16 CC(CCN)C1=CC=CC=C1 4004088 [0,2,0,0,0,0|1,0,0]=3 361 B11R1.16 CCCC(N)C1=CC=CC=C1 4006320 [0,2,0,0,0,0|1,0,0]=3 362 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 4096885 [0,2,0,0,0,0|1,0,0]=3 363 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 4091353 [0,2,0,0,0,0|1,0,0]=3 364 B11R1.16 CCNC(C)C1=CC=CC=C1 6592586 [0,2,0,0,0,0|1,0,0]=3 365 B11R1.16 CN(CCN)C1=CC=CC=C1 4027439 [0,2,0,0,0,0|2,0,0]=4 366 B11R1.16 COCC(N)C1=NC=CC=C1 4025883 [0,2,0,0,0,0|0,0,0]=2 367 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4043717 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.36 CC(C)C(N)C1=CC=CC=C1 4108973 [0,2,0,0,0,0|1,0,0]=3 369 B11R1.36 CC(C)C(N)C1=CC=CN=C1 4026592 [0,2,0,0,0,0|2,0,0]=4 370 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4025879 [0,2,0,0,0,0|0,0,0]=2 371 B11R1.36 CC(C)C(N)C1=NC=CC=C1 4088647 [0,2,0,0,0,0|0,0,0]=2 372 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 4100427 [0,2,0,0,0,0|1,0,0]=3 373 B11R1.28 C#CCNCC1=CC=CC=C1 4001797 [0,2,0,0,0,0|1,0,1]=4 374 B11R1.28 C=CCNCC1=CC=CC=C1 4090793 [0,2,0,0,0,0|1,0,1]=4 375 B11R1.28 C=CCNCC1=CC=CC=C1 9070780 [0,2,0,0,0,0|1,0,1]=4 376 B11R1.28 CCCNCC1=CC=CN=C1 9071848 [0,2,0,0,0,0|2,0,0]=4 377 B11R1.28 CCCNCC1=CC=NC=C1 9070548 [0,2,0,0,0,0|2,0,0]=4 378 B11R1.28 CCCNCC1=NC=CC=C1 9071343 [0,2,0,0,0,0|0,0,0]=2 379 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.28 NCCCNC1=CC=CN=C1 4019595 [0,2,0,0,0,0|2,0,0]=4 381 B11R1.28 NCCCOC1=CC=CC=C1 4018151 [0,2,0,0,0,0|1,0,0]=3 382 B11R1.28 NCCCOC1=CN=CC=C1 4004844 [0,2,0,0,0,0|2,0,0]=4 383 B11R1.28 NCCCSC1=CC=CC=C1 4026933 [0,2,0,0,0,0|1,0,0]=3 384 B11R1.28 NCCCSC1=CC=CC=C1 4110622 [0,2,0,0,0,0|1,0,0]=3 385 B11R1.28 NCCOCC1=CC=CC=C1 4028211 [0,2,0,0,0,0|1,0,0]=3 386 B11R1.28 NCCOCC1=CC=CC=C1 4088899 [0,2,0,0,0,0|1,0,0]=3 387 B11R1.28 NCCSCC1=CC=CC=C1 4040201 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.28 NCCSCC1=CC=CC=C1 4089858 [0,2,0,0,0,0|1,0,0]=3 389 B11R1.40 CNC(C)CC1=NC=CN=C1 4016114 [0,2,0,0,0,0|1,0,0]=3 390 B11R1.40 NNC(=O)CC1=NC=CC=C1 4036750 [0,2,0,0,0,0|1,0,1]=4 391 B11R1.91 CC(C)NCC1=CC=CN=C1 4088009 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.91 CC(C)NCC1=CC=CN=C1 5402672 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,2,0,0,0,0|1,0,1]=4 394 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,2,0,0,0,0|0,0,1]=3 395 B11R1.91 O=C(O)CCC1=NC=CN=C1 4003578 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.91 O=C(O)CSC1=NC=CC=C1 4400385 [0,2,0,0,0,0|1,0,1]=4 397 B9R1.14 C(=O)C1=CN=CN1CC 4013830 [0,0,1,1,0,0|2,0,0]=4 398 B9R2.2 C1=NC(C2CC2)=NN1 4035922 [0,0,0,1,1,0|2,0,0]=4 399 B9R2.2 C1=NNC(C2CC2)=C1 4031734 [0,0,0,1,1,0|1,0,1]=4 400 B9R2.3 C1=NN=C2CCCN12 4041057 [0,0,0,1,1,0|2,0,0]=4 401 B9R2.3 C1=NN=C2CCCN12 4088546 [0,0,0,1,1,0|2,0,0]=4 402 B9R2.3 C1=NNC2=C1CCC2 4033386 [0,0,0,1,1,0|1,0,1]=4 403 B11R2.34 BrC1=CC=C(C2CC2)C=C1 4022408 [0,1,0,1,0,0|1,0,0]=3 404 B11R2.36 BrC1=CC2=C(C=C1)CCO2 4070587 [0,1,0,1,0,0|2,0,0]=4 405 B11R2.36 ClC1=CC=C2CCCC2=N1 4020455 [0,1,0,1,0,0|0,0,0]=2 406 B11R2.36 NC1=CC2=C(C=C1)COC2 4100713 [0,1,0,1,0,0|2,0,0]=4 407 B11R2.36 NC1=NC2=C(C=N1)CCC2 4016225 [0,1,0,1,0,0|1,0,0]=3 408 B11R2.36 NC1=NC=C2CCOC2=N1 4032442 [0,1,0,1,0,0|2,0,0]=4 409 B11R2.36 O=C1C=C2CCCC2=NN1 4040811 [0,1,0,1,0,0|1,0,0]=3 410 B11R2.36 O=C1C=CC2=C(CCC2)N1 4035360 [0,1,0,1,0,0|0,0,1]=3 411 B11R2.10 CC1=NC2=CC=CN=C2N1 4031661 [0,1,0,1,0,0|1,0,1]=4 412 B11R2.20 C1=CC2=C(C=C1)OCCN2 4005008 [0,1,0,1,0,0|2,0,0]=4 413 B11R2.20 C1=CN=C2CCNCC2=C1 4012266 [0,1,0,1,0,0|0,0,0]=2 414 B11R2.106 BrC1=CC=CC2=C1CCO2 4072546 [0,1,0,1,0,0|2,0,0]=4 415 B11R2.106 NC1=C2CCOC2=CC=C1 4088054 [0,1,0,1,0,0|2,0,0]=4 416 B11R2.106 NC1=NC=NC2=C1CCC2 4013921 [0,1,0,1,0,0|1,0,0]=3 417 B11R2.35 OC1=NC=NC(C2CC2)=C1 4037502 [0,1,0,1,0,0|1,0,0]=3 418 B11R2.1 NC1COC2=CC=CC=C21 4018205 [0,1,0,1,0,0|2,0,0]=4 419 B11R2.1 O=C1NCC2=CC=CN=C12 4037457 [0,1,0,1,0,0|1,0,1]=4 420 B11R2.40 NC1(C2=CC=CC=C2)CC1 4087975 [0,1,0,1,0,0|1,0,0]=3 421 B11R2.40 NC1(C2=CC=CC=C2)CC1 4102430 [0,1,0,1,0,0|1,0,0]=3 422 B11R2.239 C1=CC(C2CNC2)=CC=N1 4038720 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.1 BrCC1=NC=CS1 4044498 [1,0,0,0,1,0|2,0,0]=4 424 B7R1.1 CCC1=CNN=C1 4044718 [1,0,0,0,1,0|2,0,0]=4 425 B7R1.1 CCC1=NNC=C1 4042936 [1,0,0,0,1,0|1,0,0]=3 426 B7R1.1 CCC1=NNC=N1 4034840 [1,0,0,0,1,0|2,0,0]=4 427 B7R1.1 ClCC1=CNC=N1 4014209 [1,0,0,0,1,0|2,0,0]=4 428 B7R1.1 ClCC1=CSC=N1 4034757 [1,0,0,0,1,0|2,0,0]=4 429 B7R1.1 ClCC1=NC=CS1 4016914 [1,0,0,0,1,0|2,0,0]=4 430 B7R1.1 NCC1=CSC=C1 4089439 [1,0,0,0,1,0|2,0,0]=4 431 B7R1.1 NCC1=CSC=C1 4100798 [1,0,0,0,1,0|2,0,0]=4 432 B7R1.1 NCC1=CSC=N1 2102330 [1,0,0,0,1,0|2,0,0]=4 433 B7R1.1 NCC1=NC=CN1 4087964 [1,0,0,0,1,0|2,0,0]=4 434 B7R1.1 NCC1=NC=CN1 4101394 [1,0,0,0,1,0|2,0,0]=4 435 B7R1.1 NCC1=NC=CS1 2102321 [1,0,0,0,1,0|2,0,0]=4