0 B8R1.18 CC1=C(Br)N=C(Br)S1 31991 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.18 CC1=C(Br)N=C(N)S1 F30514 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.18 CC1=C(Br)SC(Br)=N1 F10450 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.18 CC1=C(C)NC(N)=N1 C72528 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.18 CC1=C(C)OC(N)=N1 F16841 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,0,0,0,0,0|1,0,0]=1 8 B8R1.18 CC1=CC(Cl)=NN1C D72062 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.18 CC1=CC(N)=C(C)S1 86689 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.18 CC1=CN(C)N=C1Br P19396 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.18 CC1=CN(C)N=C1I C72577 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.18 CC1=CN(C)N=C1N 51246 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.18 CC1=CN(C)N=C1N 98162 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.18 CC1=NC(Br)=C(C)S1 C77077 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.18 CC1=NC(C)=C(Br)S1 C15490 [0,0,0,0,0,0|1,0,0]=1 16 B8R1.18 CC1=NC(I)=CN1C F51115 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.18 CC1=NN(C)C=C1Cl 57531 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.18 CC1=NN(C)C=C1I C76091 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.18 CC1=NN(C)C=C1O F30460 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.18 CC1=NN(C)N=C1Br O11170 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.18 CN1C=C(Br)C(Br)=N1 P19526 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.18 CN1N=C(Br)C=C1N 70424 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.18 CN1N=C(Cl)C=C1N P17458 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.18 CN1N=C(I)C(I)=N1 D79442 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.18 CN1N=C(N)C=C1Cl 80392 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.18 ClC1=C(Cl)SC(Br)=C1 36537 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.18 ClC1=C(I)SC(I)=C1 P18217 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 BrC1=NN=C(Br)S1 68031 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 CC1=CC=C(Br)O1 C71939 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.2 CC1=CN(C)C=N1 11615 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.2 CC1=CN(C)N=N1 O10352 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 CC1=CN=C(N)O1 80158 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.2 CC1=CN=C(N)S1 C13827 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.2 CC1=CNC(=O)N1 O11257 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.2 CC1=CNC(=O)S1 C90545 [1,0,0,0,0,0|1,0,1]=3 38 B7R1.2 CC1=COC(Br)=N1 S10976 [1,0,0,0,0,0|1,1,0]=3 39 B7R1.2 CC1=COC(S)=N1 W16843 [1,0,0,0,0,0|1,1,0]=3 40 B7R1.2 CC1=CSC(Br)=C1 C15930 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.2 CC1=CSC(C)=C1 O10605 [1,0,0,0,0,0|1,0,0]=2 42 B7R1.2 CC1=CSC(I)=N1 W17362 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.2 CC1=NC(=O)NN1 79696 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.2 CC1=NC(N)=NS1 AT11903 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.2 CC1=NC=C(Br)S1 29668 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.2 CC1=NC=C(N)S1 80222 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.2 CC1=NN=C(C)C1 N10051 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.2 CC1=NN=C(N)C1 D88133 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.2 CC1=NN=C(N)O1 71460 [1,0,0,0,0,0|2,1,0]=4 50 B7R1.2 CC1=NN=C(S)O1 F19936 [1,0,0,0,0,0|2,1,0]=4 51 B7R1.2 CC1=NOC(N)=N1 AT13650 [1,0,0,0,0,0|2,1,0]=4 52 B7R1.2 CC1=NOC(O)=N1 C90490 [1,0,0,0,0,0|2,1,0]=4 53 B7R1.2 CC1=NSC(Br)=N1 80337 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.2 CN1C=C(O)C=N1 W16286 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.2 CN1C=N[N+](C)=C1 T70137 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.2 ClC1=CN=C(Cl)S1 P13000 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.2 ClC1=CSC(Br)=N1 I11405 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.2 ClC1=NN=C(Cl)S1 AT18999 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.2 NC1=CN=C(Br)S1 I11438 [1,0,0,0,0,0|2,0,0]=3 60 B7R1.2 NC1=NC(Br)=NS1 C13674 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.2 NC1=NC(Cl)=CS1 F13356 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.2 NC1=NC=C(F)S1 39196 [1,0,0,0,0,0|2,0,0]=3 63 B7R1.2 NC1=NN=C(N)S1 F10459 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.2 OC1=CC=C(Br)S1 C72253 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.2 OC1=NC(Br)=CS1 C71316 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.4 BrC1=C(Br)NC=N1 W18398 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.4 BrC1=C(I)SC=C1 C75822 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.4 CC1=C(C)NC=C1 F20873 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.4 CC1=C(C)NC=N1 SC3541 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.4 CC1=C(Cl)NC=N1 P16604 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.4 CC1=C(N)N=CN1 31730 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.4 CC1=C(N)SC=N1 P18586 [1,0,0,0,0,0|1,0,0]=2 73 B7R1.4 CC1=CNN=C1N 52526 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.4 CC1=CON=C1N 72247 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.4 CC1=NOC=C1N O11036 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.4 CC1=NON=C1N F14552 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.4 CC1=NSC=C1Br 20343 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.4 CC1=NSC=C1N 75880 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.4 CN1C=CN=C1I 23828 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.22 CC1=C(C#N)N=C(Cl)S1 O10741 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.22 CC1=C(C=O)N=C(Br)O1 D97290 [0,1,0,0,0,0|1,1,1]=4 82 B9R1.22 CC1=C(C=O)N=C(N)S1 C75286 [0,1,0,0,0,0|1,0,1]=3 83 B9R1.22 CC1=C(C=O)SC(Br)=N1 C77197 [0,1,0,0,0,0|1,0,1]=3 84 B9R1.22 CC1=C(CBr)OC(=O)O1 78356 [0,1,0,0,0,0|2,1,0]=4 85 B9R1.22 CC1=CC(N)=C(C#N)S1 50003 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.22 CC1=NC(Br)=C(CBr)S1 C73419 [0,1,0,0,0,0|1,0,0]=2 87 B9R1.22 CC1=NC(C#N)=C(N)S1 98038 [0,1,0,0,0,0|1,0,1]=3 88 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [0,1,0,0,0,0|0,0,0]=1 89 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [0,1,0,0,0,0|0,0,0]=1 90 B9R1.22 CC1=NC(CO)=C(Br)S1 W18069 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [0,1,0,0,0,0|0,1,0]=2 92 B9R1.22 CC1=NN(C)C(C#N)=C1 W11021 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.22 CN1C=C(F)C(CO)=N1 97595 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.22 COC1=C(Br)C=C(Br)S1 95246 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.22 COC1=NN(C)C=C1Br P17795 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.22 COC1=NN(C)C=C1N 72943 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.22 COC1=NN(C)C=C1N P19123 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.22 CSC1=CC(N)=NN1C W11026 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.22 ClC1=C(CBr)C=C(Br)S1 A10744 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.22 N#CC1=C(Br)SC(N)=N1 80796 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.22 N#CC1=C(Cl)N=C(Cl)S1 24595 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.22 N#CC1=C(Cl)SC(Cl)=N1 C14523 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.22 OCC1=C(Br)N=C(Br)S1 35934 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.23 CC1=C(C)SC(CO)=N1 S11102 [0,1,0,0,0,0|0,0,0]=1 107 B9R1.23 CC1=CC(C#N)=NN1C F20638 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.23 CC1=CC(CCl)=NN1C 38503 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.23 CCC1=NC(C)=C(Br)S1 C76798 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.23 CCN1C=C(C)C(N)=N1 P18700 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.23 CCN1C=C(N)C(C)=N1 D79752 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.23 OCC1=NC(Cl)=C(Cl)N1 32128 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.37 CC1=C(Br)C(Br)=C(C)S1 W10472 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.37 CC1=C(C)C(I)=C(C)S1 32779 [0,1,0,0,0,0|1,0,0]=2 115 B9R1.37 CC1=NN(C)C(C)=C1O F50510 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,0,1,0,0,0|2,1,0]=4 117 B9R1.34 CC1=CC(Br)=CC(Br)=N1 C76528 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.34 CC1=CC(Br)=CC(Cl)=N1 I10130 [0,0,0,0,0,1|3,0,0]=4 119 B9R1.34 CC1=CC(Br)=CC(N)=N1 I11227 [0,0,0,0,0,1|3,0,0]=4 120 B9R1.34 CC1=CC(Br)=CC(O)=N1 25599 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.34 CC1=CC(Br)=NC(C)=N1 D78127 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.34 CC1=CC(C)=CC(C)=C1 78199 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.34 CC1=CC(C)=NC(Br)=N1 C73243 [0,0,0,0,0,1|2,0,0]=3 124 B9R1.34 CC1=CC(Cl)=CC(N)=N1 26589 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.34 CC1=CC(Cl)=NC(N)=C1 25901 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.34 CC1=CC(Cl)=NC(O)=C1 D83290 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.34 CC1=CC(N)=CC(F)=N1 91514 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.34 CC1=NC(C)=NC(C)=N1 A12862 [0,0,0,0,0,1|1,0,0]=2 129 B9R1.34 CC1=NC(Cl)=CC(=O)N1 91471 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.34 CC1=NC(Cl)=NC(Cl)=N1 21061 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.34 CC1=NC(Cl)=NC(N)=N1 W11895 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.34 CC1=NC(Cl)=NC(O)=C1 AC7967 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.34 CC1=NC(N)=CC(I)=N1 25934 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.34 CC1=NC(N)=CC(N)=N1 32831 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.34 CC1=NC(O)=NC(N)=N1 25789 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.69 CC1=C(Br)C=C(F)C=N1 22786 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.69 CC1=C(Br)C=C(F)N=C1 C14400 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.69 CC1=C(Br)C=C(N)N=C1 72100 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.69 CC1=C(Br)C=NC(Br)=N1 C10140 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.69 CC1=C(C)N=C(Br)C=N1 Y10500 [0,0,0,0,0,1|2,0,0]=3 141 B9R1.69 CC1=C(C)N=C(Cl)C=N1 Y10049 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.69 CC1=C(C)N=C(Cl)N=C1 P17845 [0,0,0,0,0,1|2,0,0]=3 143 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [0,0,0,0,0,1|2,0,0]=3 145 B9R1.69 CC1=C(Cl)C=C(N)N=C1 C71138 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.69 CC1=C(Cl)C=C(O)C=N1 94607 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.69 CC1=C(Cl)C=CC(Br)=N1 C16781 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.69 CC1=C(Cl)C=CC(O)=N1 C10556 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.69 CC1=C(Cl)C=NC(Cl)=N1 27156 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.69 CC1=C(Cl)C=NC(I)=N1 D94466 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.69 CC1=C(Cl)C=NC(N)=N1 P11958 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.69 CC1=C(Cl)C=NC(O)=C1 C76951 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.69 CC1=C(F)C=C(N)C=N1 D70662 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.69 CC1=C(F)C=NC(Br)=N1 D97342 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.69 CC1=C(F)C=NC(Cl)=N1 27377 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.69 CC1=C(I)C=C(N)N=C1 72489 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.69 CC1=C(I)C=CC(F)=N1 22653 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.69 CC1=C(I)C=NC(Br)=C1 I10152 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.69 CC1=C(I)C=NC(F)=C1 22752 [0,0,0,0,0,1|3,0,0]=4 160 B9R1.69 CC1=C(N)C=NC(Cl)=N1 80814 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.69 CC1=C(N)N=CC(Cl)=N1 P10837 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.69 CC1=C(N)NC(=O)N=C1 26036 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.69 CC1=C(O)C=NC(Cl)=N1 P14645 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.69 CC1=CC(=O)N=NC1=O F53166 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.69 CC1=CC(=O)NN=C1C P11942 [0,0,0,0,0,1|2,0,0]=3 166 B9R1.69 CC1=CC(=O)NN=C1Cl 26451 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.69 CC1=CC(Br)=C(Br)C=N1 A51123 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.69 CC1=CC(Br)=C(C)C=N1 N13082 [0,0,0,0,0,1|2,0,0]=3 169 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [0,0,0,0,0,1|2,0,0]=3 170 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17115 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.69 CC1=CC(Br)=C(Cl)C=N1 P17937 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.69 CC1=CC(Br)=C(F)C=N1 C71771 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.69 CC1=CC(Br)=C(O)C=N1 53715 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.69 CC1=CC(Br)=CN=C1I I11229 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.69 CC1=CC(Br)=NN=C1Br F30298 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.69 CC1=CC(Br)=NN=C1Cl P19529 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.69 CC1=CC(C)=C(Br)C=N1 W18180 [0,0,0,0,0,1|2,0,0]=3 178 B9R1.69 CC1=CC(C)=NN=C1Cl 37531 [0,0,0,0,0,1|2,0,0]=3 179 B9R1.69 CC1=CC(C)=NNC1=O P10153 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.69 CC1=CC(Cl)=C(Br)C=N1 39191 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.69 CC1=CC(Cl)=C(C)C=N1 O11204 [0,0,0,0,0,1|2,0,0]=3 182 B9R1.69 CC1=CC(Cl)=C(F)C=N1 P20444 [0,0,0,0,0,1|3,0,0]=4 183 B9R1.69 CC1=CC(Cl)=C(F)N=C1 O10975 [0,0,0,0,0,1|3,0,0]=4 184 B9R1.69 CC1=CC(Cl)=C(N)C=N1 F52035 [0,0,0,0,0,1|3,0,0]=4 185 B9R1.69 CC1=CC(Cl)=NN=C1C 24353 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.69 CC1=CC(F)=CN=C1N 27788 [0,0,0,0,0,1|3,0,0]=4 187 B9R1.69 CC1=CC(I)=C(N)N=C1 I10161 [0,0,0,0,0,1|3,0,0]=4 188 B9R1.69 CC1=CC(I)=CN=C1Cl I10138 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.69 CC1=CC(I)=CN=C1F A10643 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.69 CC1=CC(N)=C(Br)C=N1 24320 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.69 CC1=CC(N)=C(Cl)C=N1 AC2062 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.69 CC1=CC(N)=C(F)C=N1 31394 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.69 CC1=CC(N)=C(I)C=N1 C76714 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.69 CC1=CC(O)=C(Br)C=N1 C72039 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.69 CC1=CC(O)=CN=C1C W19117 [0,0,0,0,0,1|2,0,0]=3 196 B9R1.69 CC1=CC(O)=CN=C1Cl 25601 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.69 CC1=CC(O)=CN=C1F BL009882 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.69 CC1=CC(O)=CN=C1N 72099 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.69 CC1=CC=C(N)C(I)=N1 C71773 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.69 CC1=CC=C(N)N=C1N N13200 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.69 CC1=CC=C(O)C(Cl)=N1 35292 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.69 CC1=CN=C(Br)C=C1Br F11640 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.69 CC1=CN=C(Br)C=C1Cl F11669 [0,0,0,0,0,1|3,0,0]=4 204 B9R1.69 CC1=CN=C(Br)C=C1F D70629 [0,0,0,0,0,1|3,0,0]=4 205 B9R1.69 CC1=CN=C(Br)C=C1N 79079 [0,0,0,0,0,1|3,0,0]=4 206 B9R1.69 CC1=CN=C(C)C(I)=N1 W18438 [0,0,0,0,0,1|2,0,0]=3 207 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [0,0,0,0,0,1|2,0,0]=3 208 B9R1.69 CC1=CN=C(C)C(N)=N1 26305 [0,0,0,0,0,1|2,0,0]=3 209 B9R1.69 CC1=CN=C(C)C=C1N W13730 [0,0,0,0,0,1|2,0,0]=3 210 B9R1.69 CC1=CN=C(C)N=C1Cl C16332 [0,0,0,0,0,1|2,0,0]=3 211 B9R1.69 CC1=CN=C(C)N=C1N 32026 [0,0,0,0,0,1|2,0,0]=3 212 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 D79794 [0,0,0,0,0,1|3,0,0]=4 213 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 O10568 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.69 CC1=CN=C(Cl)C(N)=N1 N13219 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.69 CC1=CN=C(Cl)C(O)=C1 C77105 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.69 CC1=CN=C(F)C(O)=C1 79064 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.69 CC1=CN=C(F)C=C1N D83156 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [0,0,0,0,0,1|2,0,0]=3 219 B9R1.69 CC1=CN=C(I)C(C)=N1 D71968 [0,0,0,0,0,1|2,0,0]=3 220 B9R1.69 CC1=CN=C(N)C(=O)N1 C75150 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [0,0,0,0,0,1|2,0,0]=3 222 B9R1.69 CC1=CN=C(N)C=C1C F18079 [0,0,0,0,0,1|2,0,0]=3 223 B9R1.69 CC1=CN=C(N)N=C1Br O11187 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.69 CC1=CN=C(N)N=C1O F19190 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.69 CC1=NC(C)=C(Br)C=N1 S10258 [0,0,0,0,0,1|2,0,0]=3 226 B9R1.69 CC1=NC(C)=C(Cl)C=N1 AT11427 [0,0,0,0,0,1|2,0,0]=3 227 B9R1.69 CC1=NC(C)=C(O)C=N1 72557 [0,0,0,0,0,1|2,0,0]=3 228 B9R1.69 CC1=NC(Cl)=C(Br)C=N1 P11032 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.69 CC1=NC(Cl)=CN=C1Br 24195 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.69 CC1=NC(N)=C(Br)C=N1 C74246 [0,0,0,0,0,1|3,0,0]=4 231 B9R1.69 CC1=NC(N)=C(Cl)C=N1 C75179 [0,0,0,0,0,1|3,0,0]=4 232 B9R1.69 CC1=NC(N)=C(F)C=N1 C72634 [0,0,0,0,0,1|3,0,0]=4 233 B9R1.69 CC1=NC(N)=C(I)C=C1 65855 [0,0,0,0,0,1|3,0,0]=4 234 B9R1.69 CC1=NC(N)=C(O)C=C1 25163 [0,0,0,0,0,1|3,0,0]=4 235 B9R1.69 CC1=NC(N)=CN=C1Br 26530 [0,0,0,0,0,1|3,0,0]=4 236 B9R1.69 CC1=NC(N)=CN=C1Cl P10838 [0,0,0,0,0,1|3,0,0]=4 237 B9R1.69 CC1=NC(O)=C(Br)C=N1 25539 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.69 CC1=NC(O)=C(Cl)C=N1 I11731 [0,0,0,0,0,1|3,0,0]=4 239 B9R1.69 CC1=NC(O)=C(F)C=N1 25762 [0,0,0,0,0,1|3,0,0]=4 240 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [0,0,0,0,0,1|3,0,0]=4 241 B9R1.69 CC1=NC=C(Br)C=C1O 24970 [0,0,0,0,0,1|3,0,0]=4 242 B9R1.69 CC1=NC=C(Cl)N=C1Cl 84118 [0,0,0,0,0,1|3,0,0]=4 243 B9R1.69 CC1=NC=C(F)C=C1N D96784 [0,0,0,0,0,1|3,0,0]=4 244 B9R1.69 CC1=NC=C(N)N=C1Br Y10498 [0,0,0,0,0,1|3,0,0]=4 245 B9R1.69 CC1=NN=C(Cl)C=C1Cl D82608 [0,0,0,0,0,1|3,0,0]=4 246 B9R1.69 CC1=NNC(=O)C(Br)=C1 22926 [0,0,0,0,0,1|3,0,0]=4 247 B9R1.69 CC1=NNC(=O)C(N)=C1 P10094 [0,0,0,0,0,1|3,0,0]=4 248 B9R1.69 CC1=NNC(=O)NC1=O T71473 [0,0,0,0,0,1|3,0,0]=4 249 B6R1.2 BrC1=NC=CO1 N12756 [2,0,0,0,0,0|1,1,0]=4 250 B6R1.2 CC1=CC=CN1 23756 [2,0,0,0,0,0|1,0,1]=4 251 B6R1.2 CC1=CNC=C1 59365 [2,0,0,0,0,0|1,0,1]=4 252 B6R1.2 CC1=CNN=C1 AT22811 [2,0,0,0,0,0|2,0,0]=4 253 B6R1.2 CC1=CNN=N1 27289 [2,0,0,0,0,0|2,0,0]=4 254 B6R1.2 CC1=COC=C1 W18310 [2,0,0,0,0,0|1,1,0]=4 255 B6R1.2 CC1=NNN=C1 D94600 [2,0,0,0,0,0|2,0,0]=4 256 B6R1.2 CC1=NOC=C1 35767 [2,0,0,0,0,0|2,0,0]=4 257 B6R1.2 ClC1=CN=NS1 F18162 [2,0,0,0,0,0|2,0,0]=4 258 B6R1.2 ClC1=NC=CN1 71370 [2,0,0,0,0,0|2,0,0]=4 259 B6R1.2 ClC1=NN=CS1 F20631 [2,0,0,0,0,0|2,0,0]=4 260 B6R1.2 FC1=CN=CN1 71921 [2,0,0,0,0,0|2,0,0]=4 261 B6R1.2 IC1=NC=CO1 38371 [2,0,0,0,0,0|1,1,0]=4 262 B6R1.2 NC1=CN=CS1 52083 [2,0,0,0,0,0|1,0,0]=3 263 B6R1.2 NC1=CNC=N1 21115 [2,0,0,0,0,0|2,0,0]=4 264 B6R1.2 NC1=CNC=N1 52247 [2,0,0,0,0,0|2,0,0]=4 265 B6R1.2 NC1=CSC=C1 D77326 [2,0,0,0,0,0|2,0,0]=4 266 B6R1.2 OC1=NC=CS1 25638 [2,0,0,0,0,0|1,0,0]=3 267 B6R1.2 SC1=CC=CS1 23061 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.2 SC1=CSC=C1 79297 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.1 BrCC1=CN=C(Br)S1 24688 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.1 C#CC1=CSC(Br)=N1 AC1547 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.1 C#CC1=CSC(C)=N1 32023 [1,1,0,0,0,0|0,0,1]=3 272 B8R1.1 CC1=CC(C=O)=CS1 P15425 [1,1,0,0,0,0|1,0,1]=4 273 B8R1.1 CC1=CC(CBr)=NO1 F30090 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.1 CC1=CC(CCl)=NO1 71171 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.1 CC1=CC=C(CN)S1 71266 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.1 CC1=CN=C(C=O)S1 25174 [1,1,0,0,0,0|0,0,1]=3 278 B8R1.1 CC1=CN=C(CO)N1 P16461 [1,1,0,0,0,0|1,0,0]=3 279 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,1,0,0,0,0|0,0,0]=2 280 B8R1.1 CC1=CNC(C#N)=N1 O11258 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.1 CC1=CNC(C=O)=N1 23109 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.1 CC1=COC(C=O)=N1 P10997 [1,1,0,0,0,0|0,1,1]=4 283 B8R1.1 CC1=CSC(CCl)=N1 W16105 [1,1,0,0,0,0|0,0,0]=2 284 B8R1.1 CC1=CSC(CO)=N1 78422 [1,1,0,0,0,0|0,0,0]=2 285 B8R1.1 CC1=NC(C#N)=CS1 24243 [1,1,0,0,0,0|0,0,1]=3 286 B8R1.1 CC1=NC(CBr)=CS1 C76311 [1,1,0,0,0,0|0,0,0]=2 287 B8R1.1 CC1=NC(CBr)=NO1 F13555 [1,1,0,0,0,0|1,1,0]=4 288 B8R1.1 CC1=NC(CCl)=NO1 C71636 [1,1,0,0,0,0|1,1,0]=4 289 B8R1.1 CC1=NC(CN)=NO1 72162 [1,1,0,0,0,0|1,1,0]=4 290 B8R1.1 CC1=NC(CO)=CN1 22905 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.1 CC1=NC=C(C#N)S1 F13465 [1,1,0,0,0,0|0,0,1]=3 292 B8R1.1 CC1=NC=C(C=O)O1 C10143 [1,1,0,0,0,0|0,1,1]=4 293 B8R1.1 CC1=NC=C(CBr)S1 F16665 [1,1,0,0,0,0|0,0,0]=2 294 B8R1.1 CC1=NC=C(CN)S1 72160 [1,1,0,0,0,0|0,0,0]=2 295 B8R1.1 CC1=NC=C(CN)S1 F14010 [1,1,0,0,0,0|0,0,0]=2 296 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [1,1,0,0,0,0|1,0,1]=4 297 B8R1.1 CC1=NN=C(CN)N1 AT12331 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.1 CC1=NN=C(CN)S1 F30252 [1,1,0,0,0,0|1,0,0]=3 299 B8R1.1 CC1=NN=C(CO)S1 F13044 [1,1,0,0,0,0|1,0,0]=3 300 B8R1.1 CC1=NNC(CO)=C1 71135 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.1 CC1=NNC(CO)=N1 W19133 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.1 CC1=NOC(CBr)=C1 C15689 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.1 CC1=NOC(CN)=C1 20228 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.1 CC1=NOC(CN)=N1 S10792 [1,1,0,0,0,0|1,1,0]=4 305 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,1,0,0,0,0|1,1,0]=4 306 B8R1.1 CCC1=CN=C(N)S1 84403 [1,1,0,0,0,0|1,0,0]=3 307 B8R1.1 CN1C=C(CCl)C=N1 71934 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.1 CN1C=CC(CCl)=N1 33393 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.1 CN1C=NC(CCl)=N1 29909 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.1 CN1C=NC(CN)=C1 38318 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.1 CN1C=NC(CN)=C1 82874 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.1 CN1C=NC(CO)=N1 26175 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.1 CNC1=CN(C)N=C1 S10801 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.1 CNC1=CN(C)N=C1 W19310 [1,1,0,0,0,0|2,0,0]=4 315 B8R1.1 CNC1=NC(Br)=CS1 A11743 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.1 CNC1=NC(C)=NS1 72649 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.1 CNC1=NN=C(C)S1 71271 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.1 CNC1=NOC(C)=C1 AT19776 [1,1,0,0,0,0|2,0,0]=4 319 B8R1.1 COC1=NC=C(Br)S1 78090 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.1 COC1=NN=C(N)S1 F20582 [1,1,0,0,0,0|2,0,0]=4 321 B8R1.1 COC1=NN=C(O)S1 Y10758 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.1 CSC1=CN=C(N)S1 C77378 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.1 CSC1=NN=C(C)S1 D80857 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.1 CSC1=NN=C(Cl)S1 W18100 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.1 N#CC1=NC(Br)=CS1 P10729 [1,1,0,0,0,0|1,0,1]=4 326 B8R1.1 N#CC1=NC(Cl)=CS1 38062 [1,1,0,0,0,0|1,0,1]=4 327 B8R1.1 N#CC1=NC=C(Br)S1 P11608 [1,1,0,0,0,0|1,0,1]=4 328 B8R1.1 NC1=NN=C(CO)S1 AT18876 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.1 NCC1=CC=C(Br)S1 P15264 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.1 NCC1=CC=C(Cl)S1 P10560 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.1 NCC1=CN=C(Br)S1 C13963 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.1 NCC1=CN=C(Br)S1 S11077 [1,1,0,0,0,0|1,0,0]=3 334 B8R1.1 NCC1=CSC(Br)=C1 P11133 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.1 NCC1=NC(Br)=CS1 22984 [1,1,0,0,0,0|1,0,0]=3 336 B8R1.1 NCC1=NC(Br)=CS1 68978 [1,1,0,0,0,0|1,0,0]=3 337 B8R1.1 NCC1=NC=C(Br)S1 37716 [1,1,0,0,0,0|1,0,0]=3 338 B8R1.1 O=CC1=CSC(Cl)=N1 25211 [1,1,0,0,0,0|1,0,1]=4 339 B8R1.1 O=CC1=NC=C(Cl)S1 38230 [1,1,0,0,0,0|1,0,1]=4 340 B8R1.1 OCC1=CSC(Cl)=C1 37630 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.1 OCC1=NC=C(Br)S1 37717 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.1 OCC1=NC=C(Cl)S1 P11456 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.50 CC1=C(Br)N(C)C=N1 72894 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.50 CC1=C(Br)N(C)N=C1 P13239 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.50 CC1=C(C)N(C)C=N1 F18314 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.50 CC1=CSC(C)=C1N AT16742 [1,1,0,0,0,0|1,0,0]=3 347 B8R1.50 CC1=NNC(C)=C1N 51248 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.50 CC1=NOC(C)=C1O AT19674 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.11 CC1=C(C#N)N=CN1 AC2082 [1,1,0,0,0,0|1,0,1]=4 350 B8R1.11 CC1=C(C#N)OC=N1 79144 [1,1,0,0,0,0|0,1,1]=4 351 B8R1.11 CC1=C(C=O)N=CS1 F12255 [1,1,0,0,0,0|0,0,1]=3 352 B8R1.11 CC1=C(C=O)OC=N1 AT18679 [1,1,0,0,0,0|0,1,1]=4 353 B8R1.11 CC1=C(CCl)N=CO1 AC3323 [1,1,0,0,0,0|0,1,0]=3 354 B8R1.11 CC1=C(CO)C=CO1 30727 [1,1,0,0,0,0|1,1,0]=4 355 B8R1.11 CC1=C(CO)N=CO1 AT18595 [1,1,0,0,0,0|0,1,0]=3 356 B8R1.11 CC1=C(CO)N=NS1 73069 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.11 CC1=CNN=C1CN P17767 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.11 CC1=CON=C1CN AT25740 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.11 CC1=NOC=C1CN 72854 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.11 CC1=NOC=C1CN N10525 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.11 CC1=NON=C1CN 70844 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.11 CCC1=C(C)N=CS1 60935 [1,1,0,0,0,0|0,0,0]=2 363 B8R1.11 CCC1=CNN=C1C AC8755 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.11 CN1N=CC=C1CCl 31784 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.11 CN1N=CC=C1CN AC1023 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.11 CN1N=CN=C1CCl D93361 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.11 ClC1=C(CBr)C=CS1 24714 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.11 NC1=C(CO)SC=C1 70866 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.11 NCC1=C(Cl)C=CS1 38405 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.11 O=CC1=C(Br)N=CS1 88252 [1,1,0,0,0,0|1,0,1]=4 371 B8R1.11 O=CC1=C(Cl)N=CS1 27650 [1,1,0,0,0,0|1,0,1]=4 372 B8R1.11 OCC1=C(Br)N=CS1 26511 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.8 CC1=CC(Br)=CC(CO)=N1 C75215 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.8 CC1=CC(C#N)=NC(C)=C1 D84740 [0,1,0,0,0,1|1,0,1]=4 375 B10R1.8 CC1=CC(C)=NC(CCl)=N1 36165 [0,1,0,0,0,1|1,0,0]=3 376 B10R1.8 CC1=CC(C)=NC(CO)=N1 C75544 [0,1,0,0,0,1|1,0,0]=3 377 B10R1.8 CC1=CC(C=O)=CC(C)=N1 85556 [0,1,0,0,0,1|1,0,1]=4 378 B10R1.8 CC1=CC(CBr)=NC(C)=C1 79215 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.8 CC1=CC(CCl)=CC(C)=N1 C15237 [0,1,0,0,0,1|1,0,0]=3 380 B10R1.8 CC1=CC(CCl)=CC(C)=N1 O11086 [0,1,0,0,0,1|1,0,0]=3 381 B10R1.8 CC1=CC(CN)=NC(C)=C1 D79197 [0,1,0,0,0,1|1,0,0]=3 382 B10R1.8 CC1=CC(CO)=CC(C)=N1 24107 [0,1,0,0,0,1|1,0,0]=3 383 B10R1.8 CC1=CC(CO)=CC(Cl)=N1 57847 [0,1,0,0,0,1|2,0,0]=4 384 B10R1.8 CC1=CC(CO)=NC(C)=C1 F12065 [0,1,0,0,0,1|1,0,0]=3 385 B10R1.8 CC1=CC(CO)=NC(C)=N1 P20536 [0,1,0,0,0,1|1,0,0]=3 386 B10R1.8 CC1=NC(CCl)=NC(O)=C1 F19600 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.8 CNC1=CC(C)=NC(Cl)=N1 C74837 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.8 CNC1=CC(Cl)=NC(C)=N1 C75639 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.8 CNC1=NC(C)=NC(Cl)=N1 W11899 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.8 COC1=CC(C)=NC(Cl)=N1 73974 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.8 COC1=CC(Cl)=NC(C)=C1 A11697 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.8 COC1=CC(Cl)=NC(C)=N1 36026 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.8 COC1=NC(C)=CC(Br)=C1 C71306 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.8 COC1=NC(C)=CC(Cl)=N1 C77332 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.8 COC1=NC(C)=CC(N)=C1 F21240 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.8 COC1=NC(C)=NC(C)=C1 C72587 [0,1,0,0,0,1|1,0,0]=3 397 B10R1.8 COC1=NC(C)=NC(N)=C1 D71931 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.8 COC1=NC(N)=CC(C)=N1 C75435 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 P18328 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.8 CSC1=NC(N)=CC(C)=N1 C74284 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.8 CSC1=NC(O)=NC(C)=C1 H10246 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.22 CC1=CC(Br)=C(Br)C(C)=N1 AB2800 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.22 CC1=CC(C)=C(Br)C(Br)=N1 79200 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.22 CC1=CC(Cl)=NC(C)=C1Br 84133 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.22 CC1=CC(Cl)=NC(C)=C1Cl C73161 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.22 CC1=CC(N)=C(Br)C(C)=N1 C74709 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.22 CC1=NC(Cl)=C(Br)C(C)=N1 A12771 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.22 CC1=NC(Cl)=C(I)C(C)=N1 C16436 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.22 CC1=NC(Cl)=NC(C)=C1Cl C73739 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.22 CC1=NC(N)=C(F)C(C)=N1 O11432 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.22 CC1=NC(N)=NC(C)=C1I 77406 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.22 CC1=NC(O)=C(Br)C(C)=N1 W17621 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.25 CC1=C(CN)C=CC(N)=N1 D93406 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.25 CC1=CC(Br)=CN=C1CCl 79673 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.25 CC1=CC(Br)=CN=C1CN 24121 [0,1,0,0,0,1|2,0,0]=4 420 B10R1.25 CC1=CC(C)=C(C=O)C=N1 C14259 [0,1,0,0,0,1|1,0,1]=4 421 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.25 CC1=CC(Cl)=CN=C1CN 24127 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.25 CC1=CC(N)=C(CO)C=N1 C72979 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [0,1,0,0,0,1|1,0,0]=3 427 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [0,1,0,0,0,1|1,0,0]=3 428 B10R1.25 CC1=NC=C(CN)C(N)=N1 33128 [0,1,0,0,0,1|2,0,0]=4 429 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [0,1,0,0,0,1|2,0,0]=4 430 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [0,1,0,0,0,1|1,0,0]=3 431 B10R1.25 COC1=C(C)N=C(Cl)N=C1 72823 [0,1,0,0,0,1|2,0,0]=4 432 B10R1.25 COC1=C(C)N=C(N)N=C1 FD10682 [0,1,0,0,0,1|2,0,0]=4 433 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [0,1,0,0,0,1|2,0,0]=4 434 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [0,1,0,0,0,1|2,0,0]=4 435 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [0,1,0,0,0,1|2,0,0]=4 436 B10R1.25 COC1=CC=C(C)N=C1I F30133 [0,1,0,0,0,1|2,0,0]=4 437 B10R1.25 COC1=CN=C(C)N=C1Cl F30537 [0,1,0,0,0,1|2,0,0]=4 438 B10R1.25 COC1=NC=C(F)C=C1C C76918 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.25 COC1=NN=C(Cl)C=C1C C77016 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.30 CC1=CC(CO)=C(Br)C=N1 C73476 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.30 CC1=CC(CO)=C(F)C=N1 P20626 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.30 CC1=CC=C(C)C(CO)=N1 C16468 [0,1,0,0,0,1|1,0,0]=3 444 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C12327 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [0,1,0,0,0,1|1,0,1]=4 446 B10R1.30 CC1=NC(CCl)=C(Cl)C=C1 D83946 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.30 CC1=NC(CO)=C(Br)C=C1 D72095 [0,1,0,0,0,1|2,0,0]=4 448 B10R1.30 CC1=NC=C(Br)C=C1CN AC1104 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [0,1,0,0,0,1|1,0,0]=3 451 B10R1.30 COC1=C(Br)C=NC(C)=C1 N10207 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.30 COC1=C(C)C=NC(Cl)=N1 83973 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.30 COC1=CC(Br)=NC=C1C A11960 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [0,1,0,0,0,1|1,0,0]=3 456 B10R1.30 COC1=NC(C)=CN=C1N C77014 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.30 COC1=NC(C)=NC=C1N C75487 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.118 CC1=C(C)N=C(Br)C(Br)=C1 W17922 [0,1,0,0,0,1|2,0,0]=4 459 B10R1.118 CC1=C(C)N=C(Cl)C(Cl)=N1 O10567 [0,1,0,0,0,1|2,0,0]=4 460 B10R1.118 CC1=C(C)N=C(Cl)C(N)=N1 Y10353 [0,1,0,0,0,1|2,0,0]=4 461 B10R1.118 CC1=C(C)NC(=O)C(Cl)=N1 C72614 [0,1,0,0,0,1|2,0,0]=4 462 B10R1.118 CC1=C(C)NC(=O)C(N)=N1 W16856 [0,1,0,0,0,1|2,0,0]=4 463 B10R1.118 CC1=CC(Br)=C(C)N=C1Br F50718 [0,1,0,0,0,1|2,0,0]=4 464 B10R1.118 CC1=CC(Br)=C(C)N=C1N F51204 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.118 CC1=CC(C)=C(Br)N=C1Br 31413 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.118 CC1=NC(C)=C(C)N=C1O Y10052 [0,1,0,0,0,1|1,0,0]=3 467 B10R1.119 CC1=C(Br)C(C)=C(Br)C=N1 Y10175 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.119 CC1=C(Br)C(C)=C(N)C=N1 AC8752 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.176 CC1=C(Br)C=CC(CO)=N1 91337 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.176 CC1=C(Br)C=NC(CN)=C1 D79769 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.176 CC1=CC(C#N)=CN=C1C 72102 [0,1,0,0,0,1|1,0,1]=4 474 B10R1.176 CC1=CC(CN)=CN=C1Cl D79766 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.176 COC1=CN=C(Cl)C(C)=C1 C76383 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.176 COC1=NC(C)=C(Br)C=N1 C74970 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.176 COC1=NC(C)=C(N)C=N1 C77088 [0,1,0,0,0,1|2,0,0]=4 481 B10R1.176 COC1=NC(C)=C(N)N=C1 D82743 [0,1,0,0,0,1|2,0,0]=4 482 B10R1.176 COC1=NC=C(C)C(Cl)=N1 D70586 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.176 CSC1=CN=C(Cl)C(C)=C1 D79862 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.176 CSC1=NC=C(C)C(Cl)=N1 26737 [0,1,0,0,0,1|2,0,0]=4 486 B10R1.32 CSC1=C(SC)SC(=S)S1 T70963 [0,2,0,0,0,0|2,0,0]=4 487 B10R1.34 CC1=C(Br)C(CO)=NN1C A11879 [0,2,0,0,0,0|2,0,0]=4 488 B10R1.35 COC1=NN(C)C(CO)=C1 F30451 [0,2,0,0,0,0|2,0,0]=4 489 B10R1.35 CSC1=NC(N)=C(C#N)S1 A51076 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.59 CC(=O)C1=C(C)C=C(C)O1 C74181 [0,2,0,0,0,0|1,1,0]=4 491 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 83678 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.59 CC(=O)C1=C(C)N=C(Cl)S1 W17906 [0,2,0,0,0,0|1,0,0]=3 493 B10R1.59 CC(=O)C1=C(C)OC(C)=N1 C74185 [0,2,0,0,0,0|0,1,0]=3 494 B10R1.59 CC(=O)C1=C(C)SC(N)=N1 73926 [0,2,0,0,0,0|1,0,0]=3 495 B10R1.59 CC(=O)C1=CC(C)=NN1C 25727 [0,2,0,0,0,0|2,0,0]=4 496 B10R1.59 CC1=C(C(=O)O)N=C(Br)S1 27125 [0,2,0,0,0,0|1,0,1]=4 497 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 A11936 [0,2,0,0,0,0|1,0,1]=4 498 B10R1.59 CC1=C(C(=O)O)N=C(N)S1 A11196 [0,2,0,0,0,0|1,0,1]=4 499 B10R1.59 CC1=C(C(=O)O)SC(Cl)=N1 D73863 [0,2,0,0,0,0|1,0,1]=4 500 B10R1.59 CC1=C([N+](=O)[O-])SC(N)=N1 RB3270 [0,2,0,0,0,0|2,0,0]=4 501 B10R1.59 CC1=NC(C(=O)O)=C(N)S1 C11013 [0,2,0,0,0,0|1,0,1]=4 502 B10R1.59 CC1=NN(C)C=C1[C@H](C)O 71775 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.130 CC1=C(CCO)N=C(Br)S1 29403 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.130 CC1=CC(C)=NN1CCBr 71906 [0,2,0,0,0,0|2,0,0]=4 505 B10R1.256 CC1=NN(C)C(C)=C1CN 71355 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.256 CC1=NN(C)C(C)=C1CN W17401 [0,2,0,0,0,0|2,0,0]=4 507 B10R1.256 CC1=NN(C)C(CO)=C1I W15279 [0,2,0,0,0,0|2,0,0]=4 508 B10R1.256 CC1=NN(C)C(Cl)=C1CO A11864 [0,2,0,0,0,0|2,0,0]=4 509 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 O10304 [0,2,0,0,0,0|2,0,0]=4 510 B10R1.58 CC1=C(Br)SC(C(=O)O)=N1 F13815 [0,2,0,0,0,0|1,0,1]=4 511 B10R1.58 CC1=C(Br)SC(C(=O)[O-])=N1 AT24928 [0,2,0,0,0,0|1,0,1]=4 512 B10R1.58 CC1=C(C)NC(C(C)C)=N1 F21404 [0,2,0,0,0,0|1,0,0]=3 513 B8R1.5 CC1=NCCN=C1C N13379 [0,0,1,1,0,0|1,0,1]=4 514 B10R2.2 BrC1=NC2=C(CCC2)S1 52778 [0,1,0,1,0,0|1,0,0]=3 515 B10R2.2 BrC1=NC2=C(CNC2)S1 80325 [0,1,0,1,0,0|1,0,0]=3 516 B10R2.2 NC1=NC2=C(CCC2)S1 54823 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.3 CC1=CC=C(C)N=N1 S11370 [1,0,0,0,0,1|1,0,0]=3 518 B8R1.3 CC1=CN=C(Br)C=N1 88781 [1,0,0,0,0,1|2,0,0]=4 519 B8R1.3 CC1=CN=C(F)N=C1 F11686 [1,0,0,0,0,1|2,0,0]=4 520 B8R1.3 CC1=CN=C(I)C=N1 W17940 [1,0,0,0,0,1|2,0,0]=4 521 B8R1.3 CC1=CN=C(N)C=N1 52044 [1,0,0,0,0,1|2,0,0]=4 522 B8R1.3 CC1=CN=C(N)N=C1 51196 [1,0,0,0,0,1|2,0,0]=4 523 B8R1.3 CC1=CN=C(O)C=N1 84954 [1,0,0,0,0,1|2,0,0]=4 524 B8R1.3 CC1=NC=C(F)C=N1 O11437 [1,0,0,0,0,1|2,0,0]=4 525 B8R1.3 CC1=NC=C(I)C=C1 C10582 [1,0,0,0,0,1|2,0,0]=4 526 B8R1.3 CC1=NC=C(O)C=N1 25911 [1,0,0,0,0,1|2,0,0]=4