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|2,0,2]=4 3 B8R1.8 C1=C(NC=N1)CCN H106192 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 C1=C(NC=N1)CCN H110868 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.8 C1=C(NC=N1)CCN H111796 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 C1=C(NC=N1)CCN H424422 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 C1=C(NC=N1)CCN H424438 [0,0,0,0,0,0|2,0,0]=2 8 B8R1.8 C1=C(NC=N1)CCO H177821 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 12 B8R1.8 C1=CN(C=C1)CCCl C153496 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 C1=CN(C=C1)CCN H169363 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 C1=CN(C=C1)CCO H140284 [0,0,0,0,0,0|3,0,0]=3 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|4,0,0]=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|0,0,2]=2 25 B8R1.8 C1=CSC=C1CCN T176215 [0,0,0,0,0,0|0,0,0]=0 26 B8R1.8 C1=CSC=C1CCN T337701 [0,0,0,0,0,0|0,0,0]=0 27 B8R1.8 C1=CSC=C1CCO T162832 [0,0,0,0,0,0|1,0,0]=1 28 B8R1.8 C=CCN1C=CN=C1 A151399 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.8 CCCC1=CC=CO1 P160277 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 CCCC1=CC=CS1 P167542 [0,0,0,0,0,0|3,0,0]=3 31 B8R1.8 CCCC1=CSC=C1 P160669 [0,0,0,0,0,0|1,0,0]=1 32 B8R1.8 CCCC1=NC=CN1 P135164 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.8 CCCC1=NC=CS1 P160319 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.8 CCCN1C=CN=C1 P135093 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.8 CNCC1=CC=CO1 I170508 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.8 COCN1C=CN=C1 M191910 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.8 CSCC1=CC=CO1 F102908 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.8 NCCC1=C[NH]C=N1 H408357 [0,0,0,0,0,0|2,0,0]=2 39 B7R1.1 C#CC1=CSC=C1 E102747 [1,0,0,0,0,0|0,0,2]=3 40 B7R1.1 C#CC1=CSC=N1 E586383 [1,0,0,0,0,0|1,0,2]=4 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)C=O T135085 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 C1=C(N=CS1)CCl C137365 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.1 C1=C(NC=N1)CO H113059 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 C1=C(NC=N1)CO I137052 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 C1=C(NN=C1)CN P115816 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.1 C1=C(SC=N1)CCl C586959 [1,0,0,0,0,0|3,0,0]=4 48 B7R1.1 C1=C(SC=N1)CN T302352 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.1 C1=C(SC=N1)CO T119309 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 C1=CC(=C[CH]1)C#N C302322 [1,0,0,0,0,0|1,0,2]=4 51 B7R1.1 C1=CN=C(N1)CN A168767 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 C1=COC(=C1)CN F111778 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.1 C1=COC(=C1)CN F493732 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 C1=COC(=C1)CO F110603 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 C1=COC(=C1)CO F110604 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 C1=COC(=C1)CS F102900 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 C1=COC=C1C#N F469046 [1,0,0,0,0,0|0,1,2]=4 58 B7R1.1 C1=COC=C1C=O F122652 [1,0,0,0,0,0|1,1,1]=4 59 B7R1.1 C1=COC=C1CO F122642 [1,0,0,0,0,0|1,1,0]=3 60 B7R1.1 C1=CSC(=C1)CN T107120 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.1 C1=CSC(=C1)CO T162809 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 C1=CSC(=C1)CS T134394 [1,0,0,0,0,0|3,0,0]=4 63 B7R1.1 C1=CSC=C1C#N C153346 [1,0,0,0,0,0|0,0,2]=3 64 B7R1.1 C1=CSC=C1C=O T115194 [1,0,0,0,0,0|1,0,1]=3 65 B7R1.1 C1=CSC=C1CBr B192902 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.1 C1=CSC=C1CN T123094 [1,0,0,0,0,0|0,0,0]=1 67 B7R1.1 C1=CSC=C1CN T189819 [1,0,0,0,0,0|0,0,0]=1 68 B7R1.1 C1=CSC=C1CO T115329 [1,0,0,0,0,0|1,0,0]=2 69 B7R1.1 C1=NNN=C1CN H332069 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 CCC1=CC=CN1 E156214 [1,0,0,0,0,0|2,0,0]=3 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|1,0,1]=3 75 B7R1.1 CCC1=CN=CN1 E156331 [1,0,0,0,0,0|2,0,0]=3 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|0,0,0]=1 78 B7R1.1 CCC1=NC=CN1 E137989 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 CCC1=[C-]CC=C1 B294778 [1,0,0,0,0,0|1,0,1]=3 80 B7R1.1 CCN1C=CC=C1 E156213 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.1 CCN1C=CC=N1 E156393 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 CCN1C=CN=C1 E139207 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.1 CCN1C=NC=N1 E587605 [1,0,0,0,0,0|3,0,0]=4 84 B7R1.1 COC1=CC=CO1 M158540 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 COC1=CC=CS1 M103170 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 COC1=CC=NN1 M588136 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.1 COC1=CSC=C1 M103169 [1,0,0,0,0,0|1,0,0]=2 88 B7R1.1 CSC1=CC=CS1 M123048 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.7 CCCN1C=C[N+](=C1)C M101510 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.7 CCCN1C=C[N+](=C1)C M281603 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.7 CCCN1C=C[N+](=C1)C M303056 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.7 CCCN1C=C[N+](=C1)C M303176 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.7 C[N+]1=CN(C=C1)CCO H157306 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.7 C[N+]1=CN(C=C1)CCO H405742 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.11 COC(=O)C1=CSC=C1 M123059 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.12 C1=CN(C=C1)CCC#N C170334 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.12 C1=CN(C=C1)CCCBr B152723 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.12 C1=CN(C=C1)CCCO H157253 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.12 C1=CN(C=N1)CCCN A151397 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.12 C1=CN(C=N1)CCCN A299081 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.12 CCCCC1=CC=CO1 B152372 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.12 CCCCC1=CC=CS1 N189024 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.12 CCCCC1=CSC=C1 B100752 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.12 CCCCN1C=CN=C1 B152373 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.13 C1=CSC(=C1)CC(=O)N T338182 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.13 C1=CSC=C1CC(=O)O T162811 [0,1,0,0,0,0|1,0,1]=3 107 B9R1.33 CC1=C(SC=N1)CCCl C153490 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.33 CC1=C(SC=N1)CCO M106766 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.33 CC1=NC=CN1CCN M195358 [0,1,0,0,0,0|2,0,0]=3 110 B9R2.2 C1CC1C2=CC=NN2 C586079 [0,0,0,1,0,0|3,0,0]=4 111 B9R2.3 C1=CSC2=C1C=CS2 T135725 [0,0,0,1,0,0|1,0,2]=4 112 B9R2.3 C1=CSC2=C1SC=C2 T119992 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.8 C1=CC(=CN=C1)CC#N P137656 [0,0,0,0,0,1|1,0,2]=4 114 B9R1.8 C1=CC(=CN=C1)CCN A151786 [0,0,0,0,0,1|1,0,0]=2 115 B9R1.8 C1=CC(=CN=C1)CCN A169450 [0,0,0,0,0,1|1,0,0]=2 116 B9R1.8 C1=CC=C(C=C1)C=NN B589372 [0,0,0,0,0,1|2,0,1]=4 117 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [0,0,0,0,0,1|2,0,1]=4 118 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [0,0,0,0,0,1|2,0,1]=4 119 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [0,0,0,0,0,1|2,0,1]=4 120 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [0,0,0,0,0,1|2,0,0]=3 121 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.8 C1=CC=C(C=C1)CCI I138375 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.8 C1=CC=C(C=C1)CCN P105641 [0,0,0,0,0,1|1,0,0]=2 124 B9R1.8 C1=CC=C(C=C1)CCN P160641 [0,0,0,0,0,1|1,0,0]=2 125 B9R1.8 C1=CC=C(C=C1)CCN P290339 [0,0,0,0,0,1|1,0,0]=2 126 B9R1.8 C1=CC=C(C=C1)CCN P408003 [0,0,0,0,0,1|1,0,0]=2 127 B9R1.8 C1=CC=C(C=C1)CCN P421867 [0,0,0,0,0,1|1,0,0]=2 128 B9R1.8 C1=CC=C(C=C1)CCN P425250 [0,0,0,0,0,1|1,0,0]=2 129 B9R1.8 C1=CC=C(C=C1)CCN P491880 [0,0,0,0,0,1|1,0,0]=2 130 B9R1.8 C1=CC=C(C=C1)CCN P493037 [0,0,0,0,0,1|1,0,0]=2 131 B9R1.8 C1=CC=C(C=C1)CCN P493125 [0,0,0,0,0,1|1,0,0]=2 132 B9R1.8 C1=CC=C(C=C1)CCO P108195 [0,0,0,0,0,1|2,0,0]=3 133 B9R1.8 C1=CC=C(C=C1)CCO P108197 [0,0,0,0,0,1|2,0,0]=3 134 B9R1.8 C1=CC=C(C=C1)CCO P424995 [0,0,0,0,0,1|2,0,0]=3 135 B9R1.8 C1=CC=C(C=C1)CCS P160530 [0,0,0,0,0,1|2,0,0]=3 136 B9R1.8 C1=CC=C(C=C1)CNN B122576 [0,0,0,0,0,1|2,0,0]=3 137 B9R1.8 C1=CC=C(C=C1)CNN B137990 [0,0,0,0,0,1|2,0,0]=3 138 B9R1.8 C1=CC=C(C=C1)CNN B464175 [0,0,0,0,0,1|2,0,0]=3 139 B9R1.8 C1=CC=C(C=C1)CNO I137166 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.8 C1=CC=C(C=C1)CON O159948 [0,0,0,0,0,1|2,0,0]=3 141 B9R1.8 C1=CC=C(C=C1)CON O189173 [0,0,0,0,0,1|2,0,0]=3 142 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.8 C1=CC=NC(=C1)CC#N P160781 [0,0,0,0,0,1|1,0,2]=4 144 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [0,0,0,0,0,1|2,0,0]=3 145 B9R1.8 C1=CC=NC(=C1)CCN A151790 [0,0,0,0,0,1|1,0,0]=2 146 B9R1.8 C1=CC=NC(=C1)CCO P160791 [0,0,0,0,0,1|2,0,0]=3 147 B9R1.8 C1=CN=C(C=N1)CCS M103122 [0,0,0,0,0,1|2,0,0]=3 148 B9R1.8 C1=CN=CC=C1CC#N D302357 [0,0,0,0,0,1|1,0,2]=4 149 B9R1.8 C1=CN=CC=C1CC#N P304979 [0,0,0,0,0,1|1,0,2]=4 150 B9R1.8 C1=CN=CC=C1CCN A109738 [0,0,0,0,0,1|1,0,0]=2 151 B9R1.8 C1=CN=CC=C1CCS P134707 [0,0,0,0,0,1|2,0,0]=3 152 B9R1.8 C1=CN=CC=C1CCS P478833 [0,0,0,0,0,1|2,0,0]=3 153 B9R1.8 C1CCC(=CC1)CCN C153571 [0,0,0,0,0,1|1,0,2]=4 154 B9R1.8 C=CCC1=CC=CC=C1 A101037 [0,0,0,0,0,1|2,0,1]=4 155 B9R1.8 CCCC1=CC=CC=C1 P104621 [0,0,0,0,0,1|2,0,0]=3 156 B9R1.8 CCCC1=CC=CC=C1 P104624 [0,0,0,0,0,1|2,0,0]=3 157 B9R1.8 CCCC1=CC=CC=C1 P104625 [0,0,0,0,0,1|2,0,0]=3 158 B9R1.8 CCCC1=CC=CC=C1 P104626 [0,0,0,0,0,1|2,0,0]=3 159 B9R1.8 CCCC1=CC=CC=C1 P128158 [0,0,0,0,0,1|2,0,0]=3 160 B9R1.8 CCCC1=CC=CC=N1 P160637 [0,0,0,0,0,1|2,0,0]=3 161 B9R1.8 CCCC1=CC=NC=C1 P160632 [0,0,0,0,0,1|2,0,0]=3 162 B9R1.8 CCCC1=NC=CN=C1 P132679 [0,0,0,0,0,1|2,0,0]=3 163 B9R1.8 CCC[N+]1=CC=CC=C1 P404861 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.8 CCNC1=CC=CC=C1 E103974 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.8 CCOC1=CC=CC=C1 E108654 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.8 CCOC1=CC=CC=C1 E108655 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.8 CCOC1=CC=CC=N1 E137467 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.8 CCOC1=NC=CN=C1 E136587 [0,0,0,0,0,1|3,0,0]=4 169 B9R1.8 CCSC1=CC=CC=C1 E101809 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.8 CNCC1=CC=CC=C1 B106919 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.8 CNCC1=CC=CC=N1 M168526 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.8 CNCC1=CN=CC=C1 M138441 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.8 COCC1=CC=CC=C1 B103161 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.8 COCC1=CC=CC=C1 B591251 [0,0,0,0,0,1|3,0,0]=4 175 B9R1.8 CSCC1=CC=CC=C1 B152510 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [0,0,0,0,0,1|3,0,0]=4 177 B6R0.6 CCCC=CC=O H107633 [1,0,1,0,0,0|1,1,0]=4 178 B6R0.6 CCCC=CC=O T425385 [1,0,1,0,0,0|1,1,0]=4 179 B6R0.1 CCC(=O)C=CC E404567 [1,0,1,0,0,0|2,0,0]=4 180 B6R0.1 CCC(=O)C=CC H111425 [1,0,1,0,0,0|2,0,0]=4 181 B6R1.2 C1=C(C=NN1)N A135058 [2,0,0,0,0,0|2,0,0]=4 182 B6R1.2 C1=C(C=NN1)N H176481 [2,0,0,0,0,0|2,0,0]=4 183 B6R1.2 C1=C(C=NS1)N I304272 [2,0,0,0,0,0|1,0,0]=3 184 B6R1.2 C1=C(N=CS1)Br B122730 [2,0,0,0,0,0|2,0,0]=4 185 B6R1.2 C1=C(NN=C1)N A105614 [2,0,0,0,0,0|2,0,0]=4 186 B6R1.2 C1=C(NN=C1)N H304965 [2,0,0,0,0,0|2,0,0]=4 187 B6R1.2 C1=C(NN=C1)N H586683 [2,0,0,0,0,0|2,0,0]=4 188 B6R1.2 C1=C(ON=C1)N I587306 [2,0,0,0,0,0|2,0,0]=4 189 B6R1.2 C1=C(SC=N1)N A482119 [2,0,0,0,0,0|2,0,0]=4 190 B6R1.2 C1=C(SC=N1)N T587693 [2,0,0,0,0,0|2,0,0]=4 191 B6R1.2 C1=CN(C=C1)N A151234 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 C1=COC=C1Br B123116 [2,0,0,0,0,0|1,1,0]=4 193 B6R1.2 C1=CON=C1N A124591 [2,0,0,0,0,0|1,1,0]=4 194 B6R1.2 C1=CSC=C1Br B103164 [2,0,0,0,0,0|1,0,0]=3 195 B6R1.2 C1=CSC=C1Cl C101614 [2,0,0,0,0,0|1,0,0]=3 196 B6R1.2 C1=CSC=C1F F156769 [2,0,0,0,0,0|1,0,0]=3 197 B6R1.2 C1=CSC=C1I I165643 [2,0,0,0,0,0|1,0,0]=3 198 B6R1.2 C1=CSC=C1N D303790 [2,0,0,0,0,0|0,0,0]=2 199 B6R1.2 C1=CSC=C1N T588427 [2,0,0,0,0,0|0,0,0]=2 200 B6R1.2 C1=CSSC1=S H275383 [2,0,0,0,0,0|2,0,0]=4 201 B6R1.2 CC1=CC=CN1 M185725 [2,0,0,0,0,0|2,0,0]=4 202 B6R1.2 CC1=CC=CO1 M110932 [2,0,0,0,0,0|2,0,0]=4 203 B6R1.2 CC1=CC=CS1 M109554 [2,0,0,0,0,0|2,0,0]=4 204 B6R1.2 CC1=CC=NN1 M108005 [2,0,0,0,0,0|2,0,0]=4 205 B6R1.2 CC1=CC=NO1 M158646 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 CC1=CN=CN1 M112296 [2,0,0,0,0,0|2,0,0]=4 207 B6R1.2 CC1=CN=CS1 M124661 [2,0,0,0,0,0|2,0,0]=4 208 B6R1.2 CC1=CNC=C1 M139090 [2,0,0,0,0,0|1,0,0]=3 209 B6R1.2 CC1=CNN=C1 M158362 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 CC1=COC=C1 M158541 [2,0,0,0,0,0|0,1,0]=3 211 B6R1.2 CC1=CSC=C1 M113676 [2,0,0,0,0,0|0,0,0]=2 212 B6R1.2 CC1=CSC=N1 M103108 [2,0,0,0,0,0|1,0,0]=3 213 B6R1.2 CN1C=CC=C1 M100701 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 CN1C=CN=C1 M109227 [2,0,0,0,0,0|2,0,0]=4 215 B6R1.2 CN1C=CN=C1 M300816 [2,0,0,0,0,0|2,0,0]=4 216 B6R1.2 CN1C=CN=C1 M342188 [2,0,0,0,0,0|2,0,0]=4 217 B8R1.1 C1=C(N=C(S1)Br)CO B170760 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.1 C1=C(ONC1=O)CN M355331 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.1 C1=C(SC(=C1)Br)CN B171578 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.1 C1=C(SC(=C1)Cl)CN A489444 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.1 C1=C(SC(=C1)Cl)CN C176759 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.1 C1=C(SC=C1Br)CN B193540 [1,1,0,0,0,0|2,0,0]=4 223 B8R1.1 CC1=CC=C(O1)CN M158539 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.1 CCC1=CC(=NN1)N A587870 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.1 CCN1C=C[N+](=C1)C E101503 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.1 CCN1C=C[N+](=C1)C E101504 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.1 CCN1C=C[N+](=C1)C E101508 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.1 CCN1C=C[N+](=C1)C E106224 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.1 CCN1C=C[N+](=C1)C E120488 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.1 CCN1C=C[N+](=C1)C E120491 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.1 CCN1C=C[N+](=C1)C E120492 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.1 CCN1C=C[N+](=C1)C E120493 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.1 CCN1C=C[N+](=C1)C E121210 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.1 CCN1C=C[N+](=C1)C E121211 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.1 CCN1C=C[N+](=C1)C E121213 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.1 CCN1C=C[N+](=C1)C E121229 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.1 CCN1C=C[N+](=C1)C E156361 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.1 CCN1C=C[N+](=C1)C E170730 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.1 CCN1C=C[N+](=C1)C E299084 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.1 CCN1C=C[N+](=C1)C E304331 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.1 CCN1C=C[N+](=C1)C E304343 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.1 CCN1C=C[N+](=C1)C E305185 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.1 CCN1C=C[N+](=C1)C E342179 [1,1,0,0,0,0|2,0,0]=4 244 B8R1.1 CCN1C=C[N+](=C1)C E342742 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.1 CCN1C=C[N+](=C1)C E342745 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.1 CCN1C=C[N+](=C1)C M299085 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.1 CCN1C=C[N+](=C1)C W131887 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.1 CCN1C=C[N+](=C1)C W136549 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.1 CN1C=C(C=N1)CN M172031 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.1 CN1C=C(C=N1)CN M589007 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.1 CN1C=CC(=N1)CN M589648 [1,1,0,0,0,0|2,0,0]=4 252 B8R1.7 B(C1=CSC=C1)(O)O T103206 [1,1,0,0,0,0|2,0,0]=4 253 B8R1.7 C1=CSC=C1C(=O)Cl T170244 [1,1,0,0,0,0|1,0,1]=4 254 B8R1.7 C1=CSC=C1C(=O)O T124563 [1,1,0,0,0,0|1,0,1]=4 255 B8R1.7 CC(=C1C=CC=C1)C D168651 [1,1,0,0,0,0|1,0,1]=4 256 B8R1.7 CC(=O)C1=CNC=C1 A179139 [1,1,0,0,0,0|1,0,1]=4 257 B8R1.7 CC(=O)C1=CSC=C1 A111250 [1,1,0,0,0,0|0,0,1]=3 258 B8R1.7 CC(C)C1=CC=NN1 I400398 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.7 CC(C)C1=[C-]CC=C1 B283047 [1,1,0,0,0,0|1,0,1]=4 260 B8R1.7 CC(C)N1C=CN=C1 I157587 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.7 CC(C)[C-]1C=CC=C1 S281762 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.7 CC(C1=CC=CO1)O R588542 [1,1,0,0,0,0|2,0,0]=4 263 B8R1.7 CC(C1=CC=CO1)O x170274 [1,1,0,0,0,0|2,0,0]=4 264 B8R1.7 CC(C1=CSC=C1)N T166251 [1,1,0,0,0,0|0,0,0]=2 265 B8R1.11 C1=C(C(=CS1)Br)C#N B168182 [1,1,0,0,0,0|0,0,2]=4 266 B8R1.11 C1=C(C(=CS1)Br)C=O B152939 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.11 C1=CSC(=C1C#N)N A123466 [1,1,0,0,0,0|0,0,2]=4 268 B8R1.11 C1=CSC(=C1C=O)Br B191744 [1,1,0,0,0,0|1,0,1]=4 269 B8R1.11 CC1=C(C=CO1)SC M102940 [1,1,0,0,0,0|1,1,0]=4 270 B8R1.11 CCN1C=CN=C1C E588107 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.1 C1=CC(=CC=C1CCBr)Br B167924 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.1 C1=CC(=CC=C1CCBr)Cl C121844 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.1 C1=CC(=CC=C1CCBr)F F121611 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.1 C1=CC(=CC=C1CCBr)O H167212 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.1 C1=CC(=CC=C1CCCl)F F156671 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.1 C1=CC(=CC=C1CCN)Br B101709 [0,1,0,0,0,1|1,0,0]=3 277 B10R1.1 C1=CC(=CC=C1CCN)Br B494194 [0,1,0,0,0,1|1,0,0]=3 278 B10R1.1 C1=CC(=CC=C1CCN)Br B494196 [0,1,0,0,0,1|1,0,0]=3 279 B10R1.1 C1=CC(=CC=C1CCN)Cl C153968 [0,1,0,0,0,1|1,0,0]=3 280 B10R1.1 C1=CC(=CC=C1CCN)Cl C493551 [0,1,0,0,0,1|1,0,0]=3 281 B10R1.1 C1=CC(=CC=C1CCN)F F131906 [0,1,0,0,0,1|1,0,0]=3 282 B10R1.1 C1=CC(=CC=C1CCN)F F292669 [0,1,0,0,0,1|1,0,0]=3 283 B10R1.1 C1=CC(=CC=C1CCN)F F302836 [0,1,0,0,0,1|1,0,0]=3 284 B10R1.1 C1=CC(=CC=C1CCN)F F493198 [0,1,0,0,0,1|1,0,0]=3 285 B10R1.1 C1=CC(=CC=C1CCN)N A151503 [0,1,0,0,0,1|1,0,0]=3 286 B10R1.1 C1=CC(=CC=C1CCN)O T105543 [0,1,0,0,0,1|1,0,0]=3 287 B10R1.1 C1=CC(=CC=C1CCN)O T107153 [0,1,0,0,0,1|1,0,0]=3 288 B10R1.1 C1=CC(=CC=C1CCN)O T424437 [0,1,0,0,0,1|1,0,0]=3 289 B10R1.1 C1=CC(=CC=C1CCO)Br B153115 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.1 C1=CC(=CC=C1CCO)Cl C121856 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.1 C1=CC(=CC=C1CCO)F F136730 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.1 C1=CC(=CC=C1CCO)N A151120 [0,1,0,0,0,1|2,0,0]=4 293 B10R1.1 C1=CC(=CC=C1CCO)O H106325 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.1 C1=CC(=CC=C1CCO)O H118576 [0,1,0,0,0,1|2,0,0]=4 295 B10R1.1 C1=CC(=CC=C1CCO)O H424324 [0,1,0,0,0,1|2,0,0]=4 296 B10R1.1 C1=CC(=CC=C1CON)F A184897 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.1 CC1=CC=C(C=C1)CCBr M469504 [0,1,0,0,0,1|2,0,0]=4 298 B10R1.1 CC1=CC=C(C=C1)CCN M493506 [0,1,0,0,0,1|1,0,0]=3 299 B10R1.1 CC1=CC=C(C=C1)CCN P101999 [0,1,0,0,0,1|1,0,0]=3 300 B10R1.1 CC1=CC=C(C=C1)CCO I135268 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.1 CCCC1=CC=C(C=C1)Br B101884 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.1 CCCC1=CC=C(C=C1)C P160392 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.1 CCCC1=CC=C(C=C1)Cl C303901 [0,1,0,0,0,1|2,0,0]=4 304 B10R1.1 CCCC1=CC=C(C=C1)N P136525 [0,1,0,0,0,1|2,0,0]=4 305 B10R1.1 CCCC1=CC=C(C=C1)O P136692 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.4 C1=CC=C(C(=C1)CCBr)Cl C167804 [0,1,0,0,0,1|2,0,0]=4 307 B10R1.4 C1=CC=C(C(=C1)CCBr)F F469846 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.4 C1=CC=C(C(=C1)CCN)Br B122727 [0,1,0,0,0,1|1,0,0]=3 309 B10R1.4 C1=CC=C(C(=C1)CCN)Cl C153971 [0,1,0,0,0,1|1,0,0]=3 310 B10R1.4 C1=CC=C(C(=C1)CCN)F F292844 [0,1,0,0,0,1|1,0,0]=3 311 B10R1.4 C1=CC=C(C(=C1)CCN)F W135956 [0,1,0,0,0,1|1,0,0]=3 312 B10R1.4 C1=CC=C(C(=C1)CCN)N A189849 [0,1,0,0,0,1|1,0,0]=3 313 B10R1.4 C1=CC=C(C(=C1)CCN)O A191948 [0,1,0,0,0,1|1,0,0]=3 314 B10R1.4 C1=CC=C(C(=C1)CCO)Br B102011 [0,1,0,0,0,1|2,0,0]=4 315 B10R1.4 C1=CC=C(C(=C1)CCO)Cl C135333 [0,1,0,0,0,1|2,0,0]=4 316 B10R1.4 C1=CC=C(C(=C1)CCO)F F134481 [0,1,0,0,0,1|2,0,0]=4 317 B10R1.4 C1=CC=C(C(=C1)CCO)N A151124 [0,1,0,0,0,1|2,0,0]=4 318 B10R1.4 C1=CC=C(C(=C1)CCO)O H139263 [0,1,0,0,0,1|2,0,0]=4 319 B10R1.4 C1=CC=C(C(=C1)CON)F O192052 [0,1,0,0,0,1|2,0,0]=4 320 B10R1.4 CC1=CC=CC=C1CCBr B587606 [0,1,0,0,0,1|2,0,0]=4 321 B10R1.4 CC1=CC=CC=C1CCO O159910 [0,1,0,0,0,1|2,0,0]=4 322 B10R1.4 CCCC1=CC=CC=C1C P160377 [0,1,0,0,0,1|2,0,0]=4 323 B10R1.4 CCCC1=CC=CC=C1N P160189 [0,1,0,0,0,1|2,0,0]=4 324 B10R1.4 CCCC1=CC=CC=C1O P160564 [0,1,0,0,0,1|2,0,0]=4 325 B10R1.10 C1=CC(=CC(=C1)Br)CCN B101708 [0,1,0,0,0,1|1,0,0]=3 326 B10R1.10 C1=CC(=CC(=C1)Br)CCO B102008 [0,1,0,0,0,1|2,0,0]=4 327 B10R1.10 C1=CC(=CC(=C1)Cl)CCBr C167806 [0,1,0,0,0,1|2,0,0]=4 328 B10R1.10 C1=CC(=CC(=C1)Cl)CCN C153963 [0,1,0,0,0,1|1,0,0]=3 329 B10R1.10 C1=CC(=CC(=C1)Cl)CCO C153312 [0,1,0,0,0,1|2,0,0]=4 330 B10R1.10 C1=CC(=CC(=C1)F)CCBr F135723 [0,1,0,0,0,1|2,0,0]=4 331 B10R1.10 C1=CC(=CC(=C1)F)CCN W133696 [0,1,0,0,0,1|1,0,0]=3 332 B10R1.10 C1=CC(=CC(=C1)F)CCO F156602 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.10 C1=CC(=CC(=C1)N)CCO A589356 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.10 C1=CC(=CC(=C1)O)CCO H167016 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.10 CC1=CC(=CC=C1)CCBr M332837 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.10 CC1=CC(=CC=C1)CCCl C193160 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.10 CC1=CC(=CC=C1)CCN M170979 [0,1,0,0,0,1|1,0,0]=3 338 B10R1.10 CC1=CC(=CC=C1)CCO M157912 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.10 CCCC1=CC=CC(=C1)C P160391 [0,1,0,0,0,1|2,0,0]=4 340 B10R1.15 C1=CC=C(C=C1)C(=O)CN A123237 [0,1,0,0,0,1|1,0,1]=4 341 B10R1.15 C1=CC=C(C=C1)C(CBr)Br D304999 [0,1,0,0,0,1|2,0,0]=4 342 B10R1.15 C1=CC=C(C=C1)C(CBr)O B192257 [0,1,0,0,0,1|2,0,0]=4 343 B10R1.15 C1=CC=C(C=C1)C(CCl)O R304018 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.15 C1=CC=C(C=C1)C(CCl)O S304439 [0,1,0,0,0,1|2,0,0]=4 345 B10R1.15 C1=CC=C(C=C1)C(CN)O A102440 [0,1,0,0,0,1|1,0,0]=3 346 B10R1.15 C1=CC=C(C=C1)C(CN)O A151123 [0,1,0,0,0,1|1,0,0]=3 347 B10R1.15 C1=CC=C(C=C1)C(CN)O R138565 [0,1,0,0,0,1|1,0,0]=3 348 B10R1.15 C1=CC=C(C=C1)C(CO)N P109343 [0,1,0,0,0,1|2,0,0]=4 349 B10R1.15 C1=CC=C(C=C1)C(CO)N P117139 [0,1,0,0,0,1|2,0,0]=4 350 B10R1.15 C1=CC=C(C=C1)C(CO)N P160161 [0,1,0,0,0,1|2,0,0]=4 351 B10R1.15 C1=CC=C(C=C1)C(CO)O P100518 [0,1,0,0,0,1|2,0,0]=4 352 B10R1.15 C1=CC=C(C=C1)C(CO)O P100519 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.15 C1=CC=C(C=C1)C(CO)O P112689 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.15 CC(CN)C1=CC=CC=C1 P191947 [0,1,0,0,0,1|1,0,0]=3 355 B10R1.15 CC(CN)C1=CC=CC=C1 R160849 [0,1,0,0,0,1|1,0,0]=3 356 B10R1.15 CC(CO)C1=CC=CC=C1 P160710 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.15 CC(CO)C1=CC=CC=C1 R489486 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.15 CCC(C)C1=CC=CC=C1 B100253 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.15 CCC(C)C1=CC=CC=C1 B100254 [0,1,0,0,0,1|2,0,0]=4 360 B10R1.15 CCC(C)C1=CC=CC=C1 B128164 [0,1,0,0,0,1|2,0,0]=4 361 B10R1.15 CCC(C1=CC=CC=C1)N E334013 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.15 CCC(C1=CC=CC=C1)N R138647 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.15 CCC(C1=CC=CC=C1)N R639496 [0,1,0,0,0,1|2,0,0]=4 364 B10R1.15 CCC(C1=CC=CC=C1)N S135110 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.15 CCC(C1=CC=CC=C1)O P107008 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.15 CCC(C1=CC=CC=C1)O R138307 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.15 CCC(C1=CC=CC=C1)O S161360 [0,1,0,0,0,1|2,0,0]=4 368 B10R1.15 CCC(C1=CC=CC=N1)N P586083 [0,1,0,0,0,1|2,0,0]=4 369 B10R1.15 C[C@H](CO)C1=CC=CC=C1 S489449 [0,1,0,0,0,1|2,0,0]=4 370 B10R1.17 C#CCCC1=CC=CC=C1 P160653 [0,1,0,0,0,1|2,0,0]=4 371 B10R1.17 C1=CC=C(C=C1)C#CCN P353326 [0,1,0,0,0,1|1,0,1]=4 372 B10R1.17 C1=CC=C(C=C1)CCC#N P160077 [0,1,0,0,0,1|1,0,1]=4 373 B10R1.17 C1=CC=C(C=C1)CCC=O P109695 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.17 C1=CC=C(C=C1)CCCBr B106986 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.17 C1=CC=C(C=C1)CCCCl C122445 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.17 C1=CC=C(C=C1)CCCI I469194 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.17 C1=CC=C(C=C1)CCCN P109694 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.17 C1=CC=C(C=C1)CCCN P292870 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.17 C1=CC=C(C=C1)CCCO P103663 [0,1,0,0,0,1|2,0,0]=4 380 B10R1.17 C1=CC=C(C=C1)CCNN P132003 [0,1,0,0,0,1|1,0,0]=3 381 B10R1.17 C1=CC=C(C=C1)CCNN P421872 [0,1,0,0,0,1|1,0,0]=3 382 B10R1.17 C1=CC=C(C=C1)COCCl B107578 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.17 C1=CC=C(C=C1)NCCN N159346 [0,1,0,0,0,1|1,0,0]=3 384 B10R1.17 C1=CC=C(C=C1)NCCO N140440 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.17 C1=CC=C(C=C1)OCCBr B100876 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.17 C1=CC=C(C=C1)OCCCl B135225 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.17 C1=CC=C(C=C1)OCCN P132517 [0,1,0,0,0,1|1,0,0]=3 388 B10R1.17 C1=CC=C(C=C1)OCCO E109367 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.17 C1=CC=C(C=C1)OCCO E109368 [0,1,0,0,0,1|2,0,0]=4 390 B10R1.17 C1=CC=C(C=C1)OCCO E109369 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.17 C1=CC=C(C=C1)OCCO E109370 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.17 C1=CC=C(C=C1)OCCO P407596 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.17 C1=CC=C(C=C1)SCCBr B152504 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.17 C1=CC=C(C=C1)SCCCl C101832 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.17 C1=CC=C(C=C1)SCCO P101545 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.17 C1=CC=NC(=C1)CCCO P133143 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.17 C1=CN=CC=C1CCCN P192638 [0,1,0,0,0,1|1,0,0]=3 398 B10R1.17 C1=CN=CC=C1CCCO P160633 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.17 C=CCCC1=CC=CC=C1 P160313 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.17 CCCCC1=CC=CC=C1 B100020 [0,1,0,0,0,1|2,0,0]=4 401 B10R1.17 CCCCC1=CC=CC=C1 B100021 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.17 CCCCC1=CC=CC=C1 B128171 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.17 CCCCC1=CN=CC=C1 B115782 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.17 CCCOC1=CC=CC=C1 P405762 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.17 CCNCC1=CC=CC=C1 E113368 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.17 CCNCC1=CC=CC=N1 N170728 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.17 CCNCC1=CC=CC=N1 N598953 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.17 CCNCC1=CC=NC=C1 E124679 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.17 CCOCC1=CC=CC=C1 E193820 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.17 CNCCC1=CC=CC=C1 N159074 [0,1,0,0,0,1|1,0,0]=3 411 B10R1.17 CNCCC1=CC=CC=N1 B102783 [0,1,0,0,0,1|1,0,0]=3 412 B10R1.17 CNCCC1=CC=CC=N1 B152161 [0,1,0,0,0,1|1,0,0]=3 413 B10R1.17 CNCCC1=CC=CC=N1 B301305 [0,1,0,0,0,1|1,0,0]=3 414 B10R1.17 CNCCC1=CC=CC=N1 B424673 [0,1,0,0,0,1|1,0,0]=3 415 B10R1.17 CNCCC1=CC=CC=N1 M424771 [0,1,0,0,0,1|1,0,0]=3 416 B10R1.17 COCCC1=CC=CC=C1 P160567 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.17 COCCC1=CC=CC=N1 M157981 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.18 C1=CC(=CN=C1)CC(=O)N P193047 [0,1,0,0,0,1|1,0,1]=4 419 B10R1.18 C1=CC=C(C=C1)CC(=N)N P192301 [0,1,0,0,0,1|1,0,1]=4 420 B10R1.18 C1=CC=C(C=C1)CC(=O)N P160461 [0,1,0,0,0,1|1,0,1]=4 421 B10R1.18 C1=CC=C(C=C1)CC(=O)N P420433 [0,1,0,0,0,1|1,0,1]=4 422 B10R1.18 C1=CC=C(C=C1)CC(=S)N P160307 [0,1,0,0,0,1|1,0,1]=4 423 B10R1.18 CC(C)CC1=CC=CC=C1 I108918 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.18 CC(C)CC1=CC=CC=C1 I108919 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.18 CC(C)CC1=CC=CC=C1 I108920 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.18 CC(CC1=CC=CC=C1)Br B168545 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.18 CC(CC1=CC=CC=C1)O P160708 [0,1,0,0,0,1|2,0,0]=4 428 B10R1.130 CC1=C(SC(=N1)N)CCN A274896 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.11 CCOC(=O)C1=CSC=C1 E123056 [0,2,0,0,0,0|1,0,1]=4 430 B10R1.23 C1=CSC=C1C(C(=O)O)N S136294 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.21 C1=COC(=C1)CSCCN F156651 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.27 C1=C(NC=N1)CC(CO)N S132263 [0,2,0,0,0,0|2,0,0]=4 433 B10R1.27 COC(=O)CC1=CSC=C1 M491672 [0,2,0,0,0,0|1,0,1]=4 434 B10R1.29 CC1=NC=CN1CCCN A468111 [0,2,0,0,0,0|2,0,0]=4 435 B10R1.29 CCCCC1=C(SC=C1)Br B152941 [0,2,0,0,0,0|1,0,0]=3 436 B10R1.187 C1=CC(=O)N(C1=O)CCN N131107 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.187 C1=CC(=O)N(C1=O)CCN N159243 [0,2,0,0,0,0|2,0,0]=4 438 B8R1.2 C1=CC(=CN=C1)CN P160053 [0,0,1,1,0,0|1,0,1]=4 439 B8R1.2 C1=CC=C(C=C1)CN A348464 [0,0,1,1,0,0|1,0,1]=4 440 B8R1.2 C1=CC=C(C=C1)CN B108477 [0,0,1,1,0,0|1,0,1]=4 441 B8R1.2 C1=CC=C(C=C1)CN B152179 [0,0,1,1,0,0|1,0,1]=4 442 B8R1.2 C1=CC=C(C=C1)CN B152887 [0,0,1,1,0,0|1,0,1]=4 443 B8R1.2 C1=CC=C(C=C1)CN B152949 [0,0,1,1,0,0|1,0,1]=4 444 B8R1.2 C1=CC=C(C=C1)CN B304428 [0,0,1,1,0,0|1,0,1]=4 445 B8R1.2 C1=CC=C(C=C1)CN B485378 [0,0,1,1,0,0|1,0,1]=4 446 B8R1.2 C1=CC=C(C=C1)CN P493007 [0,0,1,1,0,0|1,0,1]=4 447 B8R1.2 C1=CC=C(C=C1)CN P493016 [0,0,1,1,0,0|1,0,1]=4 448 B8R1.2 C1=CC=C(C=C1)CN P493100 [0,0,1,1,0,0|1,0,1]=4 449 B8R1.2 C1=CN=CC=C1CN A107215 [0,0,1,1,0,0|1,0,1]=4 450 B8R1.2 C1=CN=CC=C1CN P194376 [0,0,1,1,0,0|1,0,1]=4 451 B10R2.6 C1C(N1)C2=CC=CC=C2 P357784 [0,0,0,1,0,1|1,0,0]=3 452 B10R2.6 C1C(O1)C2=CC=CC=C2 I132554 [0,0,0,1,0,1|2,0,0]=4 453 B10R2.6 C1C(O1)C2=CC=CC=C2 I133271 [0,0,0,1,0,1|2,0,0]=4 454 B10R2.6 C1C(O1)C2=CC=CC=C2 I137101 [0,0,0,1,0,1|2,0,0]=4 455 B10R2.6 C1C(O1)C2=CC=CC=C2 S106990 [0,0,0,1,0,1|2,0,0]=4 456 B10R2.6 C1C(O1)C2=CC=CC=C2 S165282 [0,0,0,1,0,1|2,0,0]=4 457 B10R2.6 C1CC1C2=CC=CC=C2 C300934 [0,0,0,1,0,1|2,0,0]=4 458 B10R2.7 C1CC2=C(C1)N=CC=C2 C101917 [0,0,0,1,0,1|2,0,0]=4 459 B10R2.7 C1CC2=C(C1)N=CC=C2 C616548 [0,0,0,1,0,1|2,0,0]=4 460 B10R2.7 C1CC2=CC=CC=C2C1 I105445 [0,0,0,1,0,1|2,0,0]=4 461 B10R2.7 C1CNC2=C1C=CC=N2 D122895 [0,0,0,1,0,1|1,0,0]=3 462 B10R2.7 C1CNC2=CC=CC=C21 I103557 [0,0,0,1,0,1|1,0,0]=3 463 B10R2.7 C1COC2=CC=CC=C21 D170588 [0,0,0,1,0,1|2,0,0]=4 464 B10R2.320 C1C(C2=CC=CC=C21)Br W132718 [0,0,0,1,0,1|2,0,0]=4 465 B10R2.14 C1CC1C2=CSC(=N2)N C183693 [0,1,0,1,0,0|2,0,0]=4