0 B8R1.8 C1=C(C=NN1)CCCl C589127 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 C1=C(C=NN1)CCO H587730 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.8 C1=C(NC=N1)CC#N C153694 [0,0,0,0,0,0|0,0,2]=2 3 B8R1.8 C1=C(NC=N1)CCN H106192 [0,0,0,0,0,0|0,0,0]=0 4 B8R1.8 C1=C(NC=N1)CCN H110868 [0,0,0,0,0,0|0,0,0]=0 5 B8R1.8 C1=C(NC=N1)CCN H111796 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.8 C1=C(NC=N1)CCN H424422 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.8 C1=C(NC=N1)CCN H424438 [0,0,0,0,0,0|0,0,0]=0 8 B8R1.8 C1=C(NC=N1)CCO H177821 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.8 C1=C(NN=C1)CCN B344644 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 C1=C(NN=C1)CCN B421467 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.8 C1=CN(C=C1)CCBr B152722 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 C1=CN(C=C1)CCCl C153496 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 C1=CN(C=C1)CCN H169363 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.8 C1=CN(C=C1)CCO H140284 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 C1=CN(C=N1)CC#N I157586 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.8 C1=CN(C=N1)CCCl N342105 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 C1=CN(C=N1)CCN I304034 [0,0,0,0,0,0|2,0,0]=2 18 B8R1.8 C1=CN(C=N1)CCO H140402 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.8 C1=CN(N=C1)CCO H185686 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.8 C1=CSC(=C1)CC#N T117284 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.8 C1=CSC(=C1)CCN T107627 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.8 C1=CSC(=C1)CCN T493549 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.8 C1=CSC(=C1)CCO T107405 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.8 C1=CSC=C1CC#N T162812 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.8 C1=CSC=C1CCN T176215 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.8 C1=CSC=C1CCN T337701 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.8 C1=CSC=C1CCO T162832 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 C1=NN(C=N1)CC#N T294103 [0,0,0,0,0,0|1,0,3]=4 29 B8R1.8 C=CCN1C=CN=C1 A151399 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.8 CCCC1=CC=CO1 P160277 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.8 CCCC1=CC=CS1 P167542 [0,0,0,0,0,0|3,0,0]=3 32 B8R1.8 CCCC1=CSC=C1 P160669 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 CCCC1=NC=CN1 P135164 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 CCCC1=NC=CS1 P160319 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.8 CCCC1=NCCN1 P302987 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.8 CCCN1C=CN=C1 P135093 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.8 CNCC1=CC=CO1 I170508 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.8 COCN1C=CN=C1 M191910 [0,0,0,0,0,0|4,0,0]=4 39 B8R1.8 CSCC1=CC=CO1 F102908 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.8 NCCC1=C[NH]C=N1 H408357 [0,0,0,0,0,0|0,0,2]=2 41 B7R1.1 C1=C(C=NN1)CO H175899 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 C1=C(N=CS1)CCl C137365 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 C1=C(NC=N1)C#N H185287 [1,0,0,0,0,0|0,0,2]=3 44 B7R1.1 C1=C(NC=N1)C=O I124241 [1,0,0,0,0,0|1,0,1]=3 45 B7R1.1 C1=C(NC=N1)CO H113059 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.1 C1=C(NC=N1)CO I137052 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.1 C1=C(NN=C1)CN P115816 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 C1=C(SC=N1)C=O W132585 [1,0,0,0,0,0|2,0,1]=4 49 B7R1.1 C1=C(SC=N1)CCl C586959 [1,0,0,0,0,0|2,0,0]=3 50 B7R1.1 C1=C(SC=N1)CN T302352 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.1 C1=C(SC=N1)CO T119309 [1,0,0,0,0,0|2,0,0]=3 52 B7R1.1 C1=CN=C(N1)CN A168767 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 C1=CNC(=C1)C#N H134165 [1,0,0,0,0,0|1,0,2]=4 54 B7R1.1 C1=CNC(=C1)C=O P123130 [1,0,0,0,0,0|2,0,1]=4 55 B7R1.1 C1=COC(=C1)CN F111778 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.1 C1=COC(=C1)CN F493732 [1,0,0,0,0,0|2,0,0]=3 57 B7R1.1 C1=COC(=C1)CO F110603 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 C1=COC(=C1)CO F110604 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 C1=COC(=C1)CS F102900 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 C1=COC=C1CO F122642 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.1 C1=CSC(=C1)CN T107120 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.1 C1=CSC(=C1)CO T162809 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 C1=CSC(=C1)CS T134394 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 C1=CSC=C1CBr B192902 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.1 C1=CSC=C1CN T123094 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.1 C1=CSC=C1CN T189819 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.1 C1=CSC=C1CO T115329 [1,0,0,0,0,0|3,0,0]=4 68 B7R1.1 C1=NN(C=N1)CO H405086 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.1 C1=NNN=C1CN H332069 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.1 CCC1=CC=CN1 E156214 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.1 CCC1=CC=CO1 E102538 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 CCC1=CC=CO1 E141264 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 CCC1=CC=CS1 E101589 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.1 CCC1=CC=C[CH-]1 D166828 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.1 CCC1=CN=CN1 E156331 [1,0,0,0,0,0|0,0,0]=1 76 B7R1.1 CCC1=CNN=C1 E167848 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.1 CCC1=CSC=C1 E156073 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 CCC1=NC=CN1 E137989 [1,0,0,0,0,0|2,0,0]=3 79 B7R1.1 CCC1=NCCN1 E156339 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.1 CCC1=[C-]CC=C1 B294778 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.1 CCN1C=CC=C1 E156213 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 CCN1C=CC=N1 E156393 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.1 CCN1C=CN=C1 E139207 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 CCN1C=NC=N1 E587605 [1,0,0,0,0,0|1,0,1]=3 85 B7R1.1 COC1=CC=CO1 M158540 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 COC1=CC=CS1 M103170 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 COC1=CC=NN1 M588136 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 COC1=CSC=C1 M103169 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 CSC1=CC=CS1 M123048 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.7 CCCC1=NN=C(O1)N P341058 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.7 CCCN1C=NC(=N1)N P171095 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.11 COC(=O)C1=CN=CN1 M119069 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.12 C1=CN(C=N1)CCCN A151397 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.12 C1=CN(C=N1)CCCN A299081 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.12 CCCCC1=CC=CO1 B152372 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.12 CCCCC1=CC=CS1 N189024 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.12 CCCCC1=CSC=C1 B100752 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.12 CCCCC1=NC=CN1 B152375 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.12 CCCCN1C=CN=C1 B152373 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.13 C1=C(NC=N1)CC(=O)O H589780 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.13 C1=C(NC=N1)CC(=O)O I134619 [0,1,0,0,0,0|1,0,1]=3 102 B9R1.13 C1=C(NC=N1)CC(=O)[O-] B301304 [0,1,0,0,0,0|1,0,1]=3 103 B9R1.13 C1=CSC(=C1)CC(=O)N T338182 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.33 CC1=C(SC=N1)CCCl C153490 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.33 CC1=C(SC=N1)CCO M106766 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.33 CC1=NC=CN1CCN M195358 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.33 CCOC1=C(N=CO1)C E193596 [0,1,0,0,0,0|3,0,0]=4 108 B9R2.2 C1CC1C2=CC=NN2 C586079 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.8 C1=CC(=CN=C1)CC#N P137656 [0,0,0,0,0,1|1,0,2]=4 110 B9R1.8 C1=CC(=CN=C1)CCN A151786 [0,0,0,0,0,1|1,0,0]=2 111 B9R1.8 C1=CC(=CN=C1)CCN A169450 [0,0,0,0,0,1|1,0,0]=2 112 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.8 C1=CC=C(C=C1)CCI I138375 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.8 C1=CC=C(C=C1)CCN P105641 [0,0,0,0,0,1|2,0,0]=3 116 B9R1.8 C1=CC=C(C=C1)CCN P160641 [0,0,0,0,0,1|2,0,0]=3 117 B9R1.8 C1=CC=C(C=C1)CCN P290339 [0,0,0,0,0,1|2,0,0]=3 118 B9R1.8 C1=CC=C(C=C1)CCN P408003 [0,0,0,0,0,1|2,0,0]=3 119 B9R1.8 C1=CC=C(C=C1)CCN P421867 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.8 C1=CC=C(C=C1)CCN P425250 [0,0,0,0,0,1|2,0,0]=3 121 B9R1.8 C1=CC=C(C=C1)CCN P491880 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.8 C1=CC=C(C=C1)CCN P493037 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.8 C1=CC=C(C=C1)CCN P493125 [0,0,0,0,0,1|2,0,0]=3 124 B9R1.8 C1=CC=C(C=C1)CCO P108195 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.8 C1=CC=C(C=C1)CCO P108197 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.8 C1=CC=C(C=C1)CCO P424995 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.8 C1=CC=C(C=C1)CCS P160530 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.8 C1=CC=C(C=C1)CNN B122576 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.8 C1=CC=C(C=C1)CNN B137990 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.8 C1=CC=C(C=C1)CNN B464175 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.8 C1=CC=C(C=C1)CON O159948 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.8 C1=CC=C(C=C1)CON O189173 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [0,0,0,0,0,1|2,0,1]=4 134 B9R1.8 C1=CC=NC(=C1)CCN A151790 [0,0,0,0,0,1|1,0,1]=3 135 B9R1.8 C1=CC=NC(=C1)CCO P160791 [0,0,0,0,0,1|2,0,1]=4 136 B9R1.8 C1=CN=C(C=N1)CCS M103122 [0,0,0,0,0,1|1,0,1]=3 137 B9R1.8 C1=CN=CC=C1CC#N D302357 [0,0,0,0,0,1|1,0,2]=4 138 B9R1.8 C1=CN=CC=C1CC#N P304979 [0,0,0,0,0,1|1,0,2]=4 139 B9R1.8 C1=CN=CC=C1CCN A109738 [0,0,0,0,0,1|1,0,0]=2 140 B9R1.8 C1=CN=CC=C1CCS P134707 [0,0,0,0,0,1|2,0,0]=3 141 B9R1.8 C1=CN=CC=C1CCS P478833 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.8 C1CCC(=CC1)CCN C153571 [0,0,0,0,0,1|2,0,1]=4 143 B9R1.8 CCCC1=CC=CC=C1 P104621 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.8 CCCC1=CC=CC=C1 P104624 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.8 CCCC1=CC=CC=C1 P104625 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.8 CCCC1=CC=CC=C1 P104626 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.8 CCCC1=CC=CC=C1 P128158 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.8 CCCC1=CC=CC=N1 P160637 [0,0,0,0,0,1|2,0,1]=4 149 B9R1.8 CCCC1=CC=NC=C1 P160632 [0,0,0,0,0,1|2,0,0]=3 150 B9R1.8 CCCC1=NC=CN=C1 P132679 [0,0,0,0,0,1|1,0,1]=3 151 B9R1.8 CCOC1=NC=CN=C1 E136587 [0,0,0,0,0,1|2,0,1]=4 152 B9R1.8 CNCC1=CN=CC=C1 M138441 [0,0,0,0,0,1|3,0,0]=4 153 B6R0.6 CCCC=CC=O H107633 [1,0,1,0,0,0|2,0,0]=4 154 B6R0.6 CCCC=CC=O T425385 [1,0,1,0,0,0|2,0,0]=4 155 B6R1.2 C1=C(C=NN1)N A135058 [2,0,0,0,0,0|2,0,0]=4 156 B6R1.2 C1=C(C=NN1)N H176481 [2,0,0,0,0,0|2,0,0]=4 157 B6R1.2 C1=C(C=NS1)N I304272 [2,0,0,0,0,0|2,0,0]=4 158 B6R1.2 C1=C(NC=N1)Br B119330 [2,0,0,0,0,0|1,0,0]=3 159 B6R1.2 C1=C(NC=N1)F F176048 [2,0,0,0,0,0|1,0,0]=3 160 B6R1.2 C1=C(NC=N1)I I115819 [2,0,0,0,0,0|1,0,0]=3 161 B6R1.2 C1=C(NN=C1)N A105614 [2,0,0,0,0,0|2,0,0]=4 162 B6R1.2 C1=C(NN=C1)N H304965 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 C1=C(NN=C1)N H586683 [2,0,0,0,0,0|2,0,0]=4 164 B6R1.2 C1=C(ON=C1)N I587306 [2,0,0,0,0,0|2,0,0]=4 165 B6R1.2 C1=C(SC=N1)Br B119307 [2,0,0,0,0,0|2,0,0]=4 166 B6R1.2 C1=C(SC=N1)N A482119 [2,0,0,0,0,0|1,0,0]=3 167 B6R1.2 C1=C(SC=N1)N T587693 [2,0,0,0,0,0|1,0,0]=3 168 B6R1.2 C1=C(SN=N1)N A135511 [2,0,0,0,0,0|2,0,0]=4 169 B6R1.2 C1=CN=C(N1)N A129107 [2,0,0,0,0,0|2,0,0]=4 170 B6R1.2 C1=CN=C(N1)N H186542 [2,0,0,0,0,0|2,0,0]=4 171 B6R1.2 C1=CSC=C1N D303790 [2,0,0,0,0,0|2,0,0]=4 172 B6R1.2 C1=CSC=C1N T588427 [2,0,0,0,0,0|2,0,0]=4 173 B6R1.2 C1=NN=C(S1)N A151011 [2,0,0,0,0,0|2,0,0]=4 174 B6R1.2 C1=NNC(=N1)N A107201 [2,0,0,0,0,0|1,0,1]=4 175 B6R1.2 C1=NNC(=N1)N A107202 [2,0,0,0,0,0|1,0,1]=4 176 B6R1.2 C1=NNC(=O)N1 T188359 [2,0,0,0,0,0|2,0,0]=4 177 B6R1.2 CC1=CC=CN1 M185725 [2,0,0,0,0,0|1,0,0]=3 178 B6R1.2 CC1=CC=CO1 M110932 [2,0,0,0,0,0|2,0,0]=4 179 B6R1.2 CC1=CC=CS1 M109554 [2,0,0,0,0,0|2,0,0]=4 180 B6R1.2 CC1=CC=NN1 M108005 [2,0,0,0,0,0|2,0,0]=4 181 B6R1.2 CC1=CC=NO1 M158646 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 CC1=CN=CN1 M112296 [2,0,0,0,0,0|0,0,0]=2 183 B6R1.2 CC1=CN=CS1 M124661 [2,0,0,0,0,0|1,0,0]=3 184 B6R1.2 CC1=CNC=C1 M139090 [2,0,0,0,0,0|1,0,1]=4 185 B6R1.2 CC1=CNN=C1 M158362 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 CC1=COC=C1 M158541 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 CC1=CSC=C1 M113676 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 CC1=CSC=N1 M103108 [2,0,0,0,0,0|1,0,1]=4 189 B6R1.2 CC1=NC=CN1 M104839 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 CC1=NC=NN1 M177267 [2,0,0,0,0,0|1,0,1]=4 191 B6R1.2 CN1C=CN=C1 M109227 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 CN1C=CN=C1 M300816 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 CN1C=CN=C1 M342188 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 CN1C=NC=N1 M139070 [2,0,0,0,0,0|1,0,1]=4 195 B8R0.7 C(CCN=C(N)N)CN A123125 [0,1,1,0,0,0|0,0,2]=4 196 B8R0.7 C(CCN=C(N)N)CN A422852 [0,1,1,0,0,0|0,0,2]=4 197 B8R1.1 C1=C(SC(=C1)Br)CN B171578 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.1 C1=C(SC(=C1)Cl)CN A489444 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.1 C1=C(SC(=C1)Cl)CN C176759 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.1 C1=C(SC(=N1)Br)CO B186024 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.1 C1=C(SC=C1Br)CN B193540 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.1 CC1=CC=C(O1)CN M158539 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.1 CCC1=CC(=NN1)N A587870 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.1 CCC1=NC(=NN1)N E168786 [1,1,0,0,0,0|1,0,1]=4 205 B8R1.1 CCC1=NC=C(N1)C E104846 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.1 CCC1=NN=C(S1)N A468731 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.1 CN1C=C(C=N1)CN M172031 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.1 CN1C=C(C=N1)CN M589007 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.7 C1=C(NC=N1)C(=O)N H303286 [1,1,0,0,0,0|0,0,1]=3 210 B8R1.7 C1=C(NC=N1)C(=O)O I111403 [1,1,0,0,0,0|1,0,1]=4 211 B8R1.7 C1=C(NC=N1)C(=S)S I139315 [1,1,0,0,0,0|1,0,1]=4 212 B8R1.7 C1=C(NC=N1)[N+](=O)[O-] N113599 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.7 C1=C(SC=N1)C(=O)N T339940 [1,1,0,0,0,0|1,0,1]=4 214 B8R1.7 CC(=O)C1=CC=CN1 A113378 [1,1,0,0,0,0|1,0,1]=4 215 B8R1.7 CC(=O)C1=CN=CN1 A194232 [1,1,0,0,0,0|0,0,1]=3 216 B8R1.7 CC(C)C1=CC=NN1 I400398 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.7 CC(C)C1=NC=CN1 I136584 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.7 CC(C)N1C=CN=C1 I157587 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.7 CC(C1=CC=CO1)O R588542 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.7 CC(C1=CC=CO1)O x170274 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.7 CC(C1=CSC=C1)N T166251 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.11 C1=NC(=C(N1)C#N)N A151398 [1,1,0,0,0,0|0,0,2]=4 223 B8R1.11 CCN1C=CN=C1C E588107 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.11 CN1C=CN=C1CN M586747 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.11 CN1C=NC=C1C#C E341474 [1,1,0,0,0,0|0,0,2]=4 226 B8R1.11 CN1C=NC=C1C=O M134143 [1,1,0,0,0,0|1,0,1]=4 227 B10R1.1 C1=CC(=CC=C1CCN)Br B101709 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.1 C1=CC(=CC=C1CCN)Br B494194 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.1 C1=CC(=CC=C1CCN)Br B494196 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.1 C1=CC(=CC=C1CCN)Cl C153968 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.1 C1=CC(=CC=C1CCN)Cl C493551 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.1 C1=CC(=CC=C1CCN)F F131906 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.1 C1=CC(=CC=C1CCN)F F292669 [0,1,0,0,0,1|2,0,0]=4 234 B10R1.1 C1=CC(=CC=C1CCN)F F302836 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.1 C1=CC(=CC=C1CCN)F F493198 [0,1,0,0,0,1|2,0,0]=4 236 B10R1.1 C1=CC(=CC=C1CCN)N A151503 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [0,1,0,0,0,1|2,0,0]=4 239 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [0,1,0,0,0,1|2,0,0]=4 240 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [0,1,0,0,0,1|2,0,0]=4 241 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.4 C1=CC=C(C(=C1)CCN)Br B122727 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.4 C1=CC=C(C(=C1)CCN)Cl C153971 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.4 C1=CC=C(C(=C1)CCN)F F292844 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.4 C1=CC=C(C(=C1)CCN)F W135956 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.4 C1=CC=C(C(=C1)CCN)N A189849 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.4 C1=CC=C(C(=C1)CCN)O A191948 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.10 C1=CC(=CC(=C1)Br)CCN B101708 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.10 C1=CC(=CC(=C1)Cl)CCN C153963 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.10 C1=CC(=CC(=C1)F)CCN W133696 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.10 CC1=CC(=CC=C1)CCN M170979 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.15 C1=CC=C(C=C1)C(CN)O A102440 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.15 C1=CC=C(C=C1)C(CN)O A151123 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.15 C1=CC=C(C=C1)C(CN)O R138565 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.17 C1=CN=CC=C1CCCN P192638 [0,1,0,0,0,1|1,0,0]=3 264 B10R1.17 C1=CN=CC=C1CCCO P160633 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.17 CCCCC1=CN=CC=C1 B115782 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.17 CCNCC1=CC=NC=C1 E124679 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.17 CNCCC1=CC=CC=C1 N159074 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.17 CNCCC1=CC=CC=N1 B102783 [0,1,0,0,0,1|1,0,1]=4 269 B10R1.17 CNCCC1=CC=CC=N1 B152161 [0,1,0,0,0,1|1,0,1]=4 270 B10R1.17 CNCCC1=CC=CC=N1 B301305 [0,1,0,0,0,1|1,0,1]=4 271 B10R1.17 CNCCC1=CC=CC=N1 B424673 [0,1,0,0,0,1|1,0,1]=4 272 B10R1.17 CNCCC1=CC=CC=N1 M424771 [0,1,0,0,0,1|1,0,1]=4 273 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [0,1,0,0,0,1|1,0,1]=4 274 B10R1.130 CC1=C(SC(=N1)N)CCN A274896 [0,2,0,0,0,0|1,0,0]=3 275 B10R1.11 CCOC(=O)C1=CN=CN1 E156332 [0,2,0,0,0,0|1,0,1]=4 276 B10R1.21 C1=COC(=C1)CSCCN F156651 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.27 C1=C(NC=N1)CC(CO)N S132263 [0,2,0,0,0,0|0,0,0]=2 278 B10R1.29 CC1=NC=CN1CCCN A468111 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.66 C1=C(NC=N1)CCC(=O)O I165812 [0,2,0,0,0,0|1,0,0]=3 280 B8R1.2 C1=CC(=CN=C1)CN P160053 [0,0,1,1,0,0|1,0,1]=4 281 B8R1.2 C1=CN=CC=C1CN A107215 [0,0,1,1,0,0|1,0,1]=4 282 B8R1.2 C1=CN=CC=C1CN P194376 [0,0,1,1,0,0|1,0,1]=4 283 B8R1.5 C1=CC(=C(N=C1)N)N D103174 [0,0,1,1,0,0|0,0,2]=4 284 B8R1.5 C1=CN=C(C(=N1)N)N D190531 [0,0,1,1,0,0|1,0,1]=4 285 B8R1.4 C1=C(C=NC=C1N)N P193393 [0,0,1,1,0,0|0,0,2]=4 286 B8R1.4 C1CNC(=O)NC1=O D113497 [0,0,1,1,0,0|2,0,0]=4 287 B10R2.6 C1C(N1)C2=CC=CC=C2 P357784 [0,0,0,1,0,1|2,0,0]=4 288 B10R2.7 C1CC2=C(C1)N=CC=C2 C101917 [0,0,0,1,0,1|2,0,0]=4 289 B10R2.7 C1CC2=C(C1)N=CC=C2 C616548 [0,0,0,1,0,1|2,0,0]=4 290 B10R2.7 C1CNC2=C1C=CC=N2 D122895 [0,0,0,1,0,1|1,0,0]=3 291 B10R2.7 C1CNC2=CC=CC=C21 I103557 [0,0,0,1,0,1|2,0,0]=4