0 B8R1.4 CC1=CCCC(=O)C1 D79894 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 FC1=NC=CC(Cl)=N1 P11997 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.4 NC1=CC(=O)NN=C1 20219 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 NC1=CC(Br)=CN=N1 P21037 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.4 NC1=CC(Cl)=CN=N1 37766 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 NC1=CC(I)=NC=C1 D96556 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.4 NC1=NC=CC(F)=N1 P12222 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.4 O=C1C=COC(=O)C1 A11284 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,1,0,0,0,0|0,0,1]=2 9 B9R1.2 CC1=CC(CCl)=NN=C1 F30431 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [0,1,0,0,0,0|1,0,1]=3 11 B9R1.2 CC1=CN=NC(CN)=C1 P15265 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,0|1,0,0]=2 13 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,0|1,0,0]=2 14 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.2 N#CC1=CC(Br)=NC=N1 C77430 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,0|1,0,0]=2 17 B9R1.2 NC1=CC(CO)=NC=N1 CS2745 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.2 NCC1=CC(=O)N=CN1 38507 [0,1,0,0,0,0|2,0,0]=3 19 B9R1.2 NCC1=CC=NC(Cl)=N1 P15224 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.2 O=CC1=NC=CC(Cl)=N1 F19651 [0,1,0,0,0,0|2,0,1]=4 21 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,1,0,0,0,0|1,0,1]=3 22 B9R1.2 OC1=CC=NC(CCl)=N1 F19650 [0,1,0,0,0,0|2,0,0]=3 23 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,0|1,0,0]=2 24 B9R1.3 CC1=C(Br)C=CN=C1Br 78889 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.3 CC1=C(Br)C=CNC1=O P17354 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.3 CC1=C(C)C(Cl)=NC=C1 C76298 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.3 CC1=C(Cl)C=NN=C1Cl AC9348 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.3 CC1=NC=CC(N)=C1F C73011 [0,1,0,0,0,0|1,0,0]=2 29 B9R1.3 ClC1=C(I)C=CC=C1Br D70758 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.3 FC1=C(Cl)C=CN=C1Br Y10117 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.3 NC1=C(Cl)C(O)=CC=N1 68930 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.3 NC1=C(F)C(F)=CC=N1 D70938 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.3 NC1=C(I)C(=O)NC=C1 91738 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.3 NC1=CC=CC(Br)=C1S 91081 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.3 NC1=CC=CC(O)=C1I 79304 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.3 NC1=CC=CC(S)=C1Cl AT21188 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.3 NC1=NC=CC(Br)=C1Cl AT12829 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.3 NC1=NC=CC(Br)=C1O RB1100 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.3 NC1=NN=CC(Cl)=C1N D93204 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.3 O=C1NC=CC(I)=C1F AC9810 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.34 CC1=CC(Br)=CC(F)=N1 91513 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.34 CC1=CC(F)=NC(N)=C1 W15274 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.34 CC1=CC(I)=CC(Cl)=N1 C71881 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.34 NC1=CC(Br)=CC(Br)=N1 N13242 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.34 NC1=CC(Cl)=CC(Br)=N1 C71706 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.69 BrC1=C(I)C=C(I)C=C1 AT18539 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.69 CC1=C(Br)C=C(O)N=C1 AC9697 [0,1,0,0,0,0|2,0,0]=3 48 B9R1.69 CC1=C(Br)C=CC(N)=C1 D73188 [0,1,0,0,0,0|2,0,0]=3 49 B9R1.69 CC1=CC(O)=C(N)N=C1 C15261 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.69 CC1=CC=C(O)C(F)=N1 D74688 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.69 CC1=NC=C(N)C(N)=C1 85235 [0,1,0,0,0,0|1,0,0]=2 52 B9R1.69 CN1C=C(O)C=CC1=O P17267 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.69 CN1C=NC(Br)=CC1=O AC9854 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.69 CN1C=NC(N)=CC1=O CS2007 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.69 FC1=CC(Br)=C(Cl)C=N1 C71766 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.69 FC1=CC(I)=NC=C1Br P20686 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.69 NC1=C(S)C=CC(Br)=C1 50511 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.69 NC1=CC(Cl)=NN=C1N C77192 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.69 NC1=NC(F)=C(Br)C=N1 P13872 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.69 NC1=NN=C(Cl)C=C1O D76057 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.69 OC1=C(I)C=NC(Cl)=C1 37869 [0,1,0,0,0,0|2,0,0]=3 62 B7R1.2 CC1=NC(N)=CS1 AC8716 [0,0,0,0,1,0|3,0,0]=4 63 B7R1.2 ClC1=CC(Br)=CS1 AT16572 [0,0,0,0,1,0|3,0,0]=4 64 B7R1.2 FC1=CN=C(Br)S1 P15332 [0,0,0,0,1,0|3,0,0]=4 65 B7R1.2 FC1=CSC(Br)=C1 T70774 [0,0,0,0,1,0|3,0,0]=4 66 B7R1.4 CC1=NNN=C1Br H10262 [0,0,0,0,1,0|3,0,0]=4 67 B7R1.4 CN1C=NN=C1Br H11179 [0,0,0,0,1,0|3,0,0]=4 68 B7R1.4 CN1CC=CC1=O N13365 [0,0,0,0,1,0|3,0,0]=4 69 B7R1.4 ClC1=C(I)SC=C1 P18106 [0,0,0,0,1,0|3,0,0]=4 70 B7R1.4 FC1=C(Br)NC=N1 73198 [0,0,0,0,1,0|3,0,0]=4 71 B7R1.4 FC1=NNC=C1Br P15391 [0,0,0,0,1,0|3,0,0]=4 72 B8R1.2 C#CC1=CC=CN=N1 37154 [1,1,0,0,0,0|1,0,1]=4 73 B8R1.3 FC1=CN=C(Cl)C=N1 P20780 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.3 FC1=NN=C(Cl)C=C1 O10986 [1,1,0,0,0,0|2,0,0]=4 75 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [1,1,0,0,0,0|2,0,0]=4 76 B8R1.5 CC1=C(Br)C=NN=C1 AT12789 [1,1,0,0,0,0|1,0,0]=3 77 B8R1.5 CC1=CN=NC=C1N P18597 [1,1,0,0,0,0|1,0,0]=3 78 B8R1.5 NC1=C(Cl)C=CN=N1 D95227 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.5 NC1=CC=NNC1=O 36341 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.5 NC1=CC=NNC1=S P12544 [1,1,0,0,0,0|2,0,0]=4 81 B8R1.1 CC1=CSC(CN)=N1 C11625 [0,1,0,0,1,0|2,0,0]=4 82 B8R1.1 CC1=NC=C(CN)O1 C72631 [0,1,0,0,1,0|1,0,0]=3 83 B8R1.1 CCC1=CN=C(N)S1 C13826 [0,1,0,0,1,0|2,0,0]=4 84 B8R1.1 CN1C=NC(CN)=N1 P18523 [0,1,0,0,1,0|2,0,0]=4 85 B8R1.1 COC1=CN=C(N)S1 F14523 [0,1,0,0,1,0|2,0,0]=4 86 B8R1.1 NCC1=CC=C(F)S1 38845 [0,1,0,0,1,0|2,0,0]=4 87 B8R1.1 NCC1=NC=C(Cl)S1 W17904 [0,1,0,0,1,0|2,0,0]=4 88 B8R1.1 NCC1=NNC(F)=C1 P19970 [0,1,0,0,1,0|2,0,0]=4 89 B8R1.1 OCC1=CC=C(F)S1 83085 [0,1,0,0,1,0|2,0,0]=4 90 B8R1.1 OCC1=NC=C(Br)O1 86228 [0,1,0,0,1,0|2,0,0]=4 91 B8R1.18 CN1C=C(Br)C(F)=N1 P17318 [0,1,0,0,1,0|2,0,0]=4 92 B8R1.18 CN1C=C(Br)N=C1N D76428 [0,1,0,0,1,0|2,0,0]=4 93 B8R1.18 CN1C=C(F)C(Br)=N1 P20893 [0,1,0,0,1,0|2,0,0]=4 94 B8R1.50 CC1=C(Br)N(C)N=N1 D82136 [0,1,0,0,1,0|2,0,0]=4 95 B8R1.50 CC1=CSC(C)=C1Br O10952 [0,1,0,0,1,0|1,0,0]=3 96 B8R1.50 CN1C=NC(F)=C1Br 73202 [0,1,0,0,1,0|2,0,0]=4 97 B8R1.11 CC1=NOC=C1CN Y14820 [0,1,0,0,1,0|1,0,0]=3 98 B8R1.11 CCN1N=CC=C1O AT26527 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.2 CC1=C(C#N)C=CN=C1Cl C10674 [0,2,0,0,0,0|1,0,1]=4 100 B10R1.2 CC1=C(C=O)C=CN=C1Cl C76531 [0,2,0,0,0,0|1,0,1]=4 101 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,2,0,0,0,0|1,0,0]=3 102 B10R1.2 CCC1=NC=CC(C)=C1N 60037 [0,2,0,0,0,0|0,0,0]=2 103 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,2,0,0,0,0|1,0,0]=3 104 B10R1.2 COC1=C(Br)C(Cl)=CC=N1 C71753 [0,2,0,0,0,0|1,0,0]=3 105 B10R1.2 COC1=C(Br)C(F)=CC=N1 P12279 [0,2,0,0,0,0|1,0,0]=3 106 B10R1.2 COC1=C(F)C(F)=NC=C1 D79419 [0,2,0,0,0,0|1,0,0]=3 107 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,2,0,0,0,0|2,0,0]=4 108 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,2,0,0,0,0|2,0,0]=4 110 B10R1.8 CC1=CC(Br)=CC(CN)=N1 C76956 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.8 CC1=NC(C#N)=CC(Cl)=N1 A11711 [0,2,0,0,0,0|1,0,1]=4 112 B10R1.8 COC1=CC(=O)NC(Cl)=C1 AC8282 [0,2,0,0,0,0|1,0,1]=4 113 B10R1.8 N#CC1=CC(Cl)=CC(Br)=N1 C77418 [0,2,0,0,0,0|1,0,1]=4 114 B10R1.8 N#CC1=CC(I)=CC(Cl)=N1 W19533 [0,2,0,0,0,0|1,0,1]=4 115 B10R1.8 NCC1=CC(F)=CC(O)=C1 Y14108 [0,2,0,0,0,0|2,0,0]=4 116 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 C72313 [0,2,0,0,0,0|1,0,1]=4 117 B10R1.8 OCC1=CC(Br)=CC(Br)=N1 D96598 [0,2,0,0,0,0|1,0,0]=3 118 B10R1.10 CC#CC1=NC=CC(Br)=C1 93993 [0,2,0,0,0,0|1,0,0]=3 119 B10R1.10 CC1=NC=CC(CCN)=C1 78539 [0,2,0,0,0,0|0,0,0]=2 120 B10R1.30 CC1=CC=C(N)C(CO)=N1 P12542 [0,2,0,0,0,0|2,0,0]=4 121 B10R1.30 CC1=CN=C(Cl)C(CN)=C1 79403 [0,2,0,0,0,0|2,0,0]=4 122 B10R1.30 CC1=NC(CN)=C(F)C=C1 D79767 [0,2,0,0,0,0|2,0,0]=4 123 B10R1.30 CCC1=C(F)C=NC(Cl)=N1 D72178 [0,2,0,0,0,0|2,0,0]=4 124 B10R1.30 CCC1=CC(=O)NC=C1Br D85725 [0,2,0,0,0,0|1,0,1]=4 125 B10R1.30 COC1=CC(Cl)=NC=C1F 78990 [0,2,0,0,0,0|1,0,0]=3 126 B10R1.30 CSC1=CC(C)=CN=C1Br D79859 [0,2,0,0,0,0|2,0,0]=4 127 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,2,0,0,0,0|2,0,0]=4 128 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [0,2,0,0,0,0|1,0,1]=4 129 B10R1.113 CN(C)C1=CC(Br)=NC=N1 D80235 [0,2,0,0,0,0|2,0,0]=4 130 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11109 [0,2,0,0,0,0|1,0,0]=3 131 B10R1.113 C[C@H](N)C1=CC(F)=NC=C1 90835 [0,2,0,0,0,0|1,0,0]=3 132 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 D85248 [0,2,0,0,0,0|1,0,0]=3 133 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14013 [0,2,0,0,0,0|1,0,0]=3 134 B10R1.113 C[C@H](N)C1=CC(O)=NC=C1 Y14014 [0,2,0,0,0,0|1,0,0]=3 135 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,2,0,0,0,0|2,0,0]=4 136 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,2,0,0,0,0|2,0,0]=4 137 B10R1.113 NC1=CC(C(F)F)=NC=C1 C90223 [0,2,0,0,0,0|1,0,0]=3 138 B10R1.172 CCC1=CC=CC(NC)=N1 C77377 [0,2,0,0,0,0|2,0,0]=4 139 B10R1.172 COC1=NC(CN)=NC=C1 P10963 [0,2,0,0,0,0|1,0,0]=3 140 B10R1.176 CC1=C(Br)C=C(C#N)N=C1 C72414 [0,2,0,0,0,0|1,0,1]=4 141 B10R1.176 CC1=C(C)N=C(CN)C=C1 D85900 [0,2,0,0,0,0|2,0,0]=4 142 B10R1.176 COC1=CC(Cl)=C(N)C=N1 AT16279 [0,2,0,0,0,0|1,0,0]=3 143 B10R1.176 COC1=CC(F)=C(Br)C=N1 P17805 [0,2,0,0,0,0|1,0,0]=3 144 B10R1.176 COC1=CC(N)=C(F)C=N1 C75734 [0,2,0,0,0,0|1,0,0]=3 145 B10R1.176 CSC1=NC(O)=C(C)C=N1 AC9786 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.176 N#CC1=CC(Cl)=C(Cl)C=N1 D78886 [0,2,0,0,0,0|1,0,1]=4 147 B10R1.176 N#CC1=CC(N)=C(Br)C=N1 37634 [0,2,0,0,0,0|1,0,1]=4 148 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.22 CC1=C(C)C(O)=CC(=O)N1 C76715 [0,2,0,0,0,0|1,0,1]=4 150 B10R1.22 CC1=C(C)C(O)=CC(=O)O1 D82138 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.22 CC1=C(O)C(=O)N=C(N)N1 C11267 [0,2,0,0,0,0|2,0,0]=4 152 B10R1.22 CC1=CC(Cl)=CC(O)=C1I 72277 [0,2,0,0,0,0|2,0,0]=4 153 B10R1.22 CC1=CC(N)=CC(Br)=C1C 55933 [0,2,0,0,0,0|2,0,0]=4 154 B10R1.22 CC1=NC(Cl)=C(I)C(Cl)=N1 W18464 [0,2,0,0,0,0|2,0,0]=4 155 B10R1.22 CC1=NC(Cl)=CC(Br)=C1N D96573 [0,2,0,0,0,0|1,0,0]=3 156 B10R1.22 CC1=NC(Cl)=NC(C)=C1F AC8759 [0,2,0,0,0,0|1,0,0]=3 157 B10R1.119 CC1=C(Br)C=CC(N)=C1O P20177 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.119 CC1=C(F)C=CC(O)=C1N D75565 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.119 CC1=CC=C(C)C(N)=C1C C13892 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.119 CC1=CC=C(F)C(C)=C1Br D74747 [0,2,0,0,0,0|1,0,0]=3 161 B10R1.119 CC1=CC=C(N)C(C)=C1I AC9073 [0,2,0,0,0,0|1,0,0]=3 162 B10R1.119 CC1=CN=C(N)C(C)=C1C D80400 [0,2,0,0,0,0|1,0,0]=3 163 B10R1.245 C=CC1=C(Cl)C=CN=C1O P18283 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,2,0,0,0,0|2,0,0]=4 165 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.245 CC1=CN=CC(C)=C1CO 51705 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.245 COC1=C(F)C=CN=C1N D82404 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.245 COC1=C(N)C=CN=C1C AC4530 [0,2,0,0,0,0|1,0,0]=3 169 B10R1.245 N#CC1=C(O)C=CN=C1Br W13343 [0,2,0,0,0,0|2,0,0]=4 170 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,2,0,0,0,0|2,0,0]=4 171 B10R1.25 CC1=NC(N)=C(CBr)C=N1 D74791 [0,2,0,0,0,0|2,0,0]=4 172 B10R1.25 COC1=CN=C(Cl)C=C1Cl AC3276 [0,2,0,0,0,0|2,0,0]=4 173 B10R1.25 N#CC1=C(Cl)C=C(N)N=C1 I11985 [0,2,0,0,0,0|2,0,0]=4 174 B10R1.25 N#CC1=CN=C(F)C=C1F C73453 [0,2,0,0,0,0|2,0,0]=4 175 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 CL0318 [0,2,0,0,0,0|2,0,0]=4 176 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 CL0320 [0,2,0,0,0,0|2,0,0]=4 177 B10R1.25 O=CC1=CN=C(Cl)C=C1F AC8394 [0,2,0,0,0,0|2,0,0]=4 178 B10R1.118 CC1=C(Br)C=C(O)C(N)=C1 79590 [0,2,0,0,0,0|2,0,0]=4 179 B10R1.118 CC1=CC(=O)N(C)C=C1Br AC9836 [0,2,0,0,0,0|1,0,1]=4 180 B10R1.118 CC1=CC(I)=C(N)C=C1Br AT14614 [0,2,0,0,0,0|2,0,0]=4 181 B10R1.118 CC1=CC(O)=C(Cl)C=C1O A11096 [0,2,0,0,0,0|2,0,0]=4 182 B6R1.2 BrC1=CC=NO1 A51037 [1,0,0,0,1,0|2,0,0]=4 183 B6R1.2 BrC1=COC=N1 AT22646 [1,0,0,0,1,0|2,0,0]=4 184 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4 185 B6R1.2 FC1=NC=CN1 F31129 [1,0,0,0,1,0|2,0,0]=4