0 B7R1.1 C#CC1=CC=CS1 E107746 [0,0,0,0,0,0|1,1,1]=3 1 B7R1.1 C#CC1=CC=NN1 E478860 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.1 C#CC1=CSC=C1 E102747 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.1 C#CC1=CSC=N1 E586383 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.1 C1=C(C=NN1)CO H175899 [0,0,0,0,0,0|3,1,0]=4 5 B7R1.1 C1=C(N=CO1)C=O O159993 [0,0,0,0,0,0|2,1,1]=4 6 B7R1.1 C1=C(N=CS1)C=O T135085 [0,0,0,0,0,0|2,1,1]=4 7 B7R1.1 C1=C(N=CS1)CCl C137365 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.1 C1=C(NC=N1)C#N H185287 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 C1=C(NC=N1)C=O I124241 [0,0,0,0,0,0|2,1,1]=4 10 B7R1.1 C1=C(NC=N1)CO H113059 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.1 C1=C(NC=N1)CO I137052 [0,0,0,0,0,0|2,1,0]=3 12 B7R1.1 C1=C(NN=C1)C#N H193019 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.1 C1=C(NN=C1)C=O P140216 [0,0,0,0,0,0|2,1,1]=4 14 B7R1.1 C1=C(NN=C1)CN P115816 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.1 C1=C(SC=N1)C=O W132585 [0,0,0,0,0,0|1,2,1]=4 16 B7R1.1 C1=C(SC=N1)CCl C586959 [0,0,0,0,0,0|2,1,0]=3 17 B7R1.1 C1=C(SC=N1)CN T302352 [0,0,0,0,0,0|2,1,0]=3 18 B7R1.1 C1=C(SC=N1)CO T119309 [0,0,0,0,0,0|1,2,0]=3 19 B7R1.1 C1=CC(=C[CH]1)C#N C302322 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.1 C1=CN(N=C1)CO H189712 [0,0,0,0,0,0|2,1,0]=3 21 B7R1.1 C1=CN=C(N1)CN A168767 [0,0,0,0,0,0|3,0,0]=3 22 B7R1.1 C1=CNC(=C1)C#N H134165 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.1 C1=CNC(=C1)C=O P123130 [0,0,0,0,0,0|1,1,1]=3 24 B7R1.1 C1=COC(=C1)C#N F139092 [0,0,0,0,0,0|1,0,1]=2 25 B7R1.1 C1=COC(=C1)C=O F100546 [0,0,0,0,0,0|0,1,1]=2 26 B7R1.1 C1=COC(=C1)C=O F100547 [0,0,0,0,0,0|0,1,1]=2 27 B7R1.1 C1=COC(=C1)C=O F100548 [0,0,0,0,0,0|0,1,1]=2 28 B7R1.1 C1=COC(=C1)C=O F336820 [0,0,0,0,0,0|0,1,1]=2 29 B7R1.1 C1=COC(=C1)CN F111778 [0,0,0,0,0,0|1,0,0]=1 30 B7R1.1 C1=COC(=C1)CN F493732 [0,0,0,0,0,0|1,0,0]=1 31 B7R1.1 C1=COC(=C1)CO F110603 [0,0,0,0,0,0|0,1,0]=1 32 B7R1.1 C1=COC(=C1)CO F110604 [0,0,0,0,0,0|0,1,0]=1 33 B7R1.1 C1=COC(=C1)CS F102900 [0,0,0,0,0,0|0,0,0]=0 34 B7R1.1 C1=COC=C1C#N F469046 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.1 C1=COC=C1C=O F122652 [0,0,0,0,0,0|2,1,1]=4 36 B7R1.1 C1=COC=C1CO F122642 [0,0,0,0,0,0|2,1,0]=3 37 B7R1.1 C1=CSC(=C1)C#N C153351 [0,0,0,0,0,0|1,1,1]=3 38 B7R1.1 C1=CSC(=C1)C=O T107122 [0,0,0,0,0,0|0,2,1]=3 39 B7R1.1 C1=CSC(=C1)CN T107120 [0,0,0,0,0,0|1,1,0]=2 40 B7R1.1 C1=CSC(=C1)CO T162809 [0,0,0,0,0,0|0,2,0]=2 41 B7R1.1 C1=CSC(=C1)CS T134394 [0,0,0,0,0,0|0,1,0]=1 42 B7R1.1 C1=CSC(=N1)C=O T107968 [0,0,0,0,0,0|1,2,1]=4 43 B7R1.1 C1=CSC(=N1)CO H157271 [0,0,0,0,0,0|1,2,0]=3 44 B7R1.1 C1=CSC=C1C#N C153346 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.1 C1=CSC=C1C=O T115194 [0,0,0,0,0,0|2,1,1]=4 46 B7R1.1 C1=CSC=C1CBr B192902 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.1 C1=CSC=C1CN T123094 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.1 C1=CSC=C1CN T189819 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.1 C1=CSC=C1CO T115329 [0,0,0,0,0,0|2,1,0]=3 50 B7R1.1 C1=NN(C=N1)CO H405086 [0,0,0,0,0,0|3,1,0]=4 51 B7R1.1 C1=NNN=C1CN H332069 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.1 C1C=CCC1CO C175895 [0,0,0,0,0,0|1,1,2]=4 53 B7R1.1 C=CC1=CC=CS1 V305289 [0,0,0,0,0,0|1,1,1]=3 54 B7R1.1 CCC1=CC=CN1 E156214 [0,0,0,0,0,0|2,0,0]=2 55 B7R1.1 CCC1=CC=CO1 E102538 [0,0,0,0,0,0|1,0,0]=1 56 B7R1.1 CCC1=CC=CO1 E141264 [0,0,0,0,0,0|1,0,0]=1 57 B7R1.1 CCC1=CC=CS1 E101589 [0,0,0,0,0,0|1,1,0]=2 58 B7R1.1 CCC1=CC=C[CH-]1 D166828 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.1 CCC1=CN=CN1 E156331 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.1 CCC1=CNN=C1 E167848 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.1 CCC1=CSC=C1 E156073 [0,0,0,0,0,0|3,0,0]=3 62 B7R1.1 CCC1=NC=CN1 E137989 [0,0,0,0,0,0|3,0,0]=3 63 B7R1.1 CCC1=NCCO1 E137961 [0,0,0,0,0,0|2,0,2]=4 64 B7R1.1 CCC1=NCCO1 P303248 [0,0,0,0,0,0|2,0,2]=4 65 B7R1.1 CCC1=NCCO1 P432473 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.1 CCC1=NCCO1 P432474 [0,0,0,0,0,0|2,0,2]=4 67 B7R1.1 CCC1=[C-]CC=C1 B294778 [0,0,0,0,0,0|2,0,1]=3 68 B7R1.1 CCN1C=CC=C1 E156213 [0,0,0,0,0,0|3,0,0]=3 69 B7R1.1 CCN1C=CC=N1 E156393 [0,0,0,0,0,0|3,0,0]=3 70 B7R1.1 CCN1C=CN=C1 E139207 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.1 CCN1C=NC=N1 E587605 [0,0,0,0,0,0|4,0,0]=4 72 B7R1.1 COC1=CC=CO1 M158540 [0,0,0,0,0,0|2,0,0]=2 73 B7R1.1 COC1=CC=CS1 M103170 [0,0,0,0,0,0|2,1,0]=3 74 B7R1.1 COC1=CC=NN1 M588136 [0,0,0,0,0,0|4,0,0]=4 75 B7R1.1 COC1=CSC=C1 M103169 [0,0,0,0,0,0|4,0,0]=4 76 B7R1.1 COC1=NC=CS1 M158486 [0,0,0,0,0,0|3,1,0]=4 77 B7R1.1 CSC1=CC=CS1 M123048 [0,0,0,0,0,0|2,1,0]=3 78 B7R1.1 CSC1=NC=CS1 M158485 [0,0,0,0,0,0|3,1,0]=4 79 B6R1.2 C1=C(N=CS1)Br B122730 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 C1=C(NC=N1)Br B119330 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 C1=C(NC=N1)F F176048 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 C1=C(NC=N1)I I115819 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 C1=C(NN=C1)Br B132639 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 C1=C(NN=C1)Br B586496 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 C1=C(NN=C1)F F174272 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 C1=C(NN=C1)I I157634 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 C1=C(NN=C1)I I586115 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 C1=C(NN=C1)N A105614 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 C1=C(NN=C1)N H304965 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 C1=C(NN=C1)N H586683 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 C1=C(ON=C1)N I587306 [1,0,0,0,0,0|2,0,0]=3 92 B6R1.2 C1=C(SC=N1)Br B119307 [1,0,0,0,0,0|2,1,0]=4 93 B6R1.2 C1=C(SC=N1)N A482119 [1,0,0,0,0,0|2,1,0]=4 94 B6R1.2 C1=C(SC=N1)N T587693 [1,0,0,0,0,0|2,1,0]=4 95 B6R1.2 C1=CN(C=C1)N A151234 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 C1=CN(N=C1)O H177521 [1,0,0,0,0,0|2,1,0]=4 97 B6R1.2 C1=CN=C(N1)Br B123024 [1,0,0,0,0,0|3,0,0]=4 98 B6R1.2 C1=CN=C(N1)Cl C153688 [1,0,0,0,0,0|3,0,0]=4 99 B6R1.2 C1=CN=C(N1)I I169417 [1,0,0,0,0,0|3,0,0]=4 100 B6R1.2 C1=CN=C(N1)N A129107 [1,0,0,0,0,0|3,0,0]=4 101 B6R1.2 C1=CN=C(N1)N H186542 [1,0,0,0,0,0|3,0,0]=4 102 B6R1.2 C1=CNC(=S)N1 M134875 [1,0,0,0,0,0|2,0,1]=4 103 B6R1.2 C1=CNNC1=O H173741 [1,0,0,0,0,0|2,1,0]=4 104 B6R1.2 C1=COC(=C1)Br B152379 [1,0,0,0,0,0|1,0,0]=2 105 B6R1.2 C1=COC(=N1)Br B586790 [1,0,0,0,0,0|2,0,0]=3 106 B6R1.2 C1=COC(=N1)N A122648 [1,0,0,0,0,0|2,0,0]=3 107 B6R1.2 C1=COC(=O)O1 V107163 [1,0,0,0,0,0|1,1,0]=3 108 B6R1.2 C1=COC(=O)O1 V359322 [1,0,0,0,0,0|1,1,0]=3 109 B6R1.2 C1=COC(=O)O1 V399512 [1,0,0,0,0,0|1,1,0]=3 110 B6R1.2 C1=COC=C1Br B123116 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 C1=CON=C1Br B481858 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 C1=CON=C1N A124591 [1,0,0,0,0,0|3,0,0]=4 113 B6R1.2 C1=CSC(=C1)Br B107006 [1,0,0,0,0,0|1,1,0]=3 114 B6R1.2 C1=CSC(=C1)Cl C106575 [1,0,0,0,0,0|1,1,0]=3 115 B6R1.2 C1=CSC(=C1)I I107041 [1,0,0,0,0,0|1,1,0]=3 116 B6R1.2 C1=CSC(=C1)S T100899 [1,0,0,0,0,0|0,1,0]=2 117 B6R1.2 C1=CSC(=N1)Br B123649 [1,0,0,0,0,0|2,1,0]=4 118 B6R1.2 C1=CSC(=N1)Cl C121869 [1,0,0,0,0,0|2,1,0]=4 119 B6R1.2 C1=CSC(=N1)N A104872 [1,0,0,0,0,0|2,1,0]=4 120 B6R1.2 C1=CSC(=N1)N A418731 [1,0,0,0,0,0|2,1,0]=4 121 B6R1.2 C1=CSC(=N1)N A418786 [1,0,0,0,0,0|2,1,0]=4 122 B6R1.2 C1=CSC(=S)N1 M136894 [1,0,0,0,0,0|1,1,1]=4 123 B6R1.2 C1=CSC=C1Br B103164 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 C1=CSC=C1Cl C101614 [1,0,0,0,0,0|3,0,0]=4 125 B6R1.2 C1=CSC=C1F F156769 [1,0,0,0,0,0|3,0,0]=4 126 B6R1.2 C1=CSC=C1I I165643 [1,0,0,0,0,0|3,0,0]=4 127 B6R1.2 C1=CSC=C1N D303790 [1,0,0,0,0,0|3,0,0]=4 128 B6R1.2 C1=CSC=C1N T588427 [1,0,0,0,0,0|3,0,0]=4 129 B6R1.2 C1=CSSC1=S H275383 [1,0,0,0,0,0|1,1,1]=4 130 B6R1.2 C1C=CC(=O)N1 D344952 [1,0,0,0,0,0|1,1,1]=4 131 B6R1.2 C1C=CC(=O)O1 F107943 [1,0,0,0,0,0|0,1,1]=3 132 B6R1.2 C1C=CC(=O)S1 H472400 [1,0,0,0,0,0|0,2,1]=4 133 B6R1.2 C1CC(=O)C=C1 C139450 [1,0,0,0,0,0|1,1,1]=4 134 B6R1.2 CC1=CC=CN1 M185725 [1,0,0,0,0,0|1,0,0]=2 135 B6R1.2 CC1=CC=CO1 M110932 [1,0,0,0,0,0|0,0,0]=1 136 B6R1.2 CC1=CC=CS1 M109554 [1,0,0,0,0,0|0,1,0]=2 137 B6R1.2 CC1=CC=NN1 M108005 [1,0,0,0,0,0|2,0,0]=3 138 B6R1.2 CC1=CC=NO1 M158646 [1,0,0,0,0,0|1,0,0]=2 139 B6R1.2 CC1=CCCC1 M158230 [1,0,0,0,0,0|1,0,2]=4 140 B6R1.2 CC1=CN=CN1 M112296 [1,0,0,0,0,0|2,0,0]=3 141 B6R1.2 CC1=CN=CS1 M124661 [1,0,0,0,0,0|1,1,0]=3 142 B6R1.2 CC1=CNC=C1 M139090 [1,0,0,0,0,0|2,0,0]=3 143 B6R1.2 CC1=CNN=C1 M158362 [1,0,0,0,0,0|3,0,0]=4 144 B6R1.2 CC1=COC=C1 M158541 [1,0,0,0,0,0|2,0,0]=3 145 B6R1.2 CC1=CSC=C1 M113676 [1,0,0,0,0,0|2,0,0]=3 146 B6R1.2 CC1=CSC=N1 M103108 [1,0,0,0,0,0|2,0,0]=3 147 B6R1.2 CC1=NC=CN1 M104839 [1,0,0,0,0,0|2,0,0]=3 148 B6R1.2 CC1=NC=CS1 M299351 [1,0,0,0,0,0|1,1,0]=3 149 B6R1.2 CC1=NC=C[N-]1 Z282555 [1,0,0,0,0,0|2,0,0]=3 150 B6R1.2 CC1=NC=NN1 M177267 [1,0,0,0,0,0|3,0,0]=4 151 B6R1.2 CC1=NCCO1 M158497 [1,0,0,0,0,0|1,0,2]=4 152 B6R1.2 CN1C=CC=C1 M100701 [1,0,0,0,0,0|2,0,0]=3 153 B6R1.2 CN1C=CC=N1 M107967 [1,0,0,0,0,0|2,0,0]=3 154 B6R1.2 CN1C=CN=C1 M109227 [1,0,0,0,0,0|3,0,0]=4 155 B6R1.2 CN1C=CN=C1 M300816 [1,0,0,0,0,0|3,0,0]=4 156 B6R1.2 CN1C=CN=C1 M342188 [1,0,0,0,0,0|3,0,0]=4 157 B6R1.2 CN1C=NC=N1 M139070 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.1 C1=C(N=C(S1)Br)CO B170760 [0,1,0,0,0,0|2,1,0]=4 159 B8R1.1 C1=C(NC=C1Br)C#N B480200 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.1 C1=C(NC=C1Br)C=O B590754 [0,1,0,0,0,0|1,1,1]=4 161 B8R1.1 C1=C(OC(=C1)Br)C=O B111879 [0,1,0,0,0,0|0,1,1]=3 162 B8R1.1 C1=C(OC(=C1)Cl)C=O D303050 [0,1,0,0,0,0|0,1,1]=3 163 B8R1.1 C1=C(OC=C1Br)C=O B151893 [0,1,0,0,0,0|0,1,1]=3 164 B8R1.1 C1=C(ONC1=O)CN M355331 [0,1,0,0,0,0|2,0,0]=3 165 B8R1.1 C1=C(SC(=C1)Br)C#N B137524 [0,1,0,0,0,0|1,1,1]=4 166 B8R1.1 C1=C(SC(=C1)Br)C=O B101864 [0,1,0,0,0,0|0,2,1]=4 167 B8R1.1 C1=C(SC(=C1)Br)CN B171578 [0,1,0,0,0,0|1,1,0]=3 168 B8R1.1 C1=C(SC(=C1)Cl)C#N C170641 [0,1,0,0,0,0|1,1,1]=4 169 B8R1.1 C1=C(SC(=C1)Cl)C=O C123084 [0,1,0,0,0,0|0,2,1]=4 170 B8R1.1 C1=C(SC(=C1)Cl)CN A489444 [0,1,0,0,0,0|1,1,0]=3 171 B8R1.1 C1=C(SC(=C1)Cl)CN C176759 [0,1,0,0,0,0|1,1,0]=3 172 B8R1.1 C1=C(SC(=C1)Cl)CO C177325 [0,1,0,0,0,0|0,2,0]=3 173 B8R1.1 C1=C(SC(=N1)Br)CO B186024 [0,1,0,0,0,0|1,2,0]=4 174 B8R1.1 C1=C(SC=C1Br)C#N B153080 [0,1,0,0,0,0|1,1,1]=4 175 B8R1.1 C1=C(SC=C1Br)C=O B153194 [0,1,0,0,0,0|0,2,1]=4 176 B8R1.1 C1=C(SC=C1Br)CN B193540 [0,1,0,0,0,0|1,1,0]=3 177 B8R1.1 C1=C(SC=C1Br)CO B186670 [0,1,0,0,0,0|0,2,0]=3 178 B8R1.1 CC1=CC(=NN1)CO M588591 [0,1,0,0,0,0|2,1,0]=4 179 B8R1.1 CC1=CC(=NO1)CO M136270 [0,1,0,0,0,0|2,1,0]=4 180 B8R1.1 CC1=CC=C(N1)C=O M586541 [0,1,0,0,0,0|1,1,1]=4 181 B8R1.1 CC1=CC=C(O1)C=O M102952 [0,1,0,0,0,0|0,1,1]=3 182 B8R1.1 CC1=CC=C(O1)C=O M425132 [0,1,0,0,0,0|0,1,1]=3 183 B8R1.1 CC1=CC=C(O1)CN M158539 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.1 CC1=CC=C(O1)CO M189133 [0,1,0,0,0,0|0,1,0]=2 185 B8R1.1 CC1=CC=C(O1)SC M133227 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.1 CC1=CC=C(S1)C#N M177298 [0,1,0,0,0,0|1,1,1]=4 187 B8R1.1 CC1=CC=C(S1)C=O M157937 [0,1,0,0,0,0|0,2,1]=4 188 B8R1.1 CC1=CSC(=C1)C=O M171140 [0,1,0,0,0,0|0,2,1]=4 189 B8R1.1 CC1=NOC(=N1)CCl D302540 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.1 CCC1=CC(=NN1)N A587870 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.1 CCC1=NC(=CS1)C E124072 [0,1,0,0,0,0|2,1,0]=4 192 B8R1.1 CCC1=NC=C(N1)C E104846 [0,1,0,0,0,0|3,0,0]=4 193 B8R1.1 CCN1C=C(C=N1)Br B186185 [0,1,0,0,0,0|3,0,0]=4 194 B8R1.1 CN1C=C(N=C1)CO M305172 [0,1,0,0,0,0|2,1,0]=4 195 B8R1.1 CN1C=CC(=N1)CN M589648 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.1 CN1C=CC(=N1)CO M177588 [0,1,0,0,0,0|2,1,0]=4 197 B8R1.7 B(C1=CC=CO1)(O)O F111872 [0,1,0,0,0,0|1,1,0]=3 198 B8R1.7 B(C1=CC=CS1)(O)O T107124 [0,1,0,0,0,0|1,2,0]=4 199 B8R1.7 C1=C(NC=N1)C(=S)S I139315 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.7 C1=C(OC=N1)C(=O)O O138079 [0,1,0,0,0,0|1,1,1]=4 201 B8R1.7 C1=C(ON=C1)C(=O)Cl I469461 [0,1,0,0,0,0|1,1,1]=4 202 B8R1.7 C1=C(ON=C1)C(=O)O I121616 [0,1,0,0,0,0|1,1,1]=4 203 B8R1.7 C1=CNC(=C1)C(=O)O P106858 [0,1,0,0,0,0|1,1,1]=4 204 B8R1.7 C1=CNC(=C1)[N+](=O)[O-] N185435 [0,1,0,0,0,0|2,1,0]=4 205 B8R1.7 C1=COC(=C1)C(=N)N F356787 [0,1,0,0,0,0|1,0,1]=3 206 B8R1.7 C1=COC(=C1)C(=O)Cl F107848 [0,1,0,0,0,0|0,1,1]=3 207 B8R1.7 C1=COC(=C1)C(=O)N F404495 [0,1,0,0,0,0|0,1,1]=3 208 B8R1.7 C1=COC(=C1)C(=O)O F111223 [0,1,0,0,0,0|0,1,1]=3 209 B8R1.7 C1=COC(=C1)C(=O)O F426656 [0,1,0,0,0,0|0,1,1]=3 210 B8R1.7 C1=CSC(=C1)C(=O)Cl T162807 [0,1,0,0,0,0|0,2,1]=4 211 B8R1.7 C1=CSC(=C1)C(=O)Cl T471243 [0,1,0,0,0,0|0,2,1]=4 212 B8R1.7 C1=CSC(=C1)C(=O)N T162813 [0,1,0,0,0,0|0,2,1]=4 213 B8R1.7 C1=CSC(=C1)C(=O)O T107125 [0,1,0,0,0,0|0,2,1]=4 214 B8R1.7 C1=CSC(=C1)C(=O)[O-] C115572 [0,1,0,0,0,0|0,2,1]=4 215 B8R1.7 C1=CSC(=C1)C(=S)N T302722 [0,1,0,0,0,0|0,1,2]=4 216 B8R1.7 C1=CSC(=C1)[N+](=O)[O-] N101613 [0,1,0,0,0,0|1,2,0]=4 217 B8R1.7 CC(=C1C=CC=C1)C D168651 [0,1,0,0,0,0|2,0,1]=4 218 B8R1.7 CC(=O)C1=CC=CN1 A113378 [0,1,0,0,0,0|1,1,1]=4 219 B8R1.7 CC(=O)C1=CC=CO1 F106238 [0,1,0,0,0,0|0,1,1]=3 220 B8R1.7 CC(=O)C1=CC=CS1 A109378 [0,1,0,0,0,0|0,2,1]=4 221 B8R1.7 CC(C)C1=CC=NN1 I400398 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.7 CC(C)C1=NC=CN1 I136584 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.7 CC(C)C1=[C-]CC=C1 B283047 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.7 CC(C)N1C=CC=N1 I157629 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.7 CC(C)[C-]1C=CC=C1 S281762 [0,1,0,0,0,0|2,0,1]=4 226 B8R1.7 CC(C1=CC=CO1)O R588542 [0,1,0,0,0,0|0,1,0]=2 227 B8R1.7 CC(C1=CC=CO1)O x170274 [0,1,0,0,0,0|0,1,0]=2 228 B8R1.7 CC(C1=CSC=C1)N T166251 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.8 C1=C(NC=N1)CC#N C153694 [0,1,0,0,0,0|3,0,0]=4 230 B8R1.8 C1=C(NC=N1)CCN H106192 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.8 C1=C(NC=N1)CCN H110868 [0,1,0,0,0,0|3,0,0]=4 232 B8R1.8 C1=C(NC=N1)CCN H111796 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.8 C1=C(NC=N1)CCN H424422 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.8 C1=C(NC=N1)CCN H424438 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.8 C1=C(NC=N1)CCO H177821 [0,1,0,0,0,0|2,1,0]=4 236 B8R1.8 C1=C(NN=C1)CCN B344644 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.8 C1=C(NN=C1)CCN B421467 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.8 C1=CN(C=C1)CCBr B152722 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.8 C1=CN(C=C1)CCCl C153496 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.8 C1=CN(C=C1)CCN H169363 [0,1,0,0,0,0|3,0,0]=4 241 B8R1.8 C1=CN(C=C1)CCO H140284 [0,1,0,0,0,0|2,1,0]=4 242 B8R1.8 C1=CN(N=C1)CCO H185686 [0,1,0,0,0,0|2,1,0]=4 243 B8R1.8 C1=COC(=C1)C=NO F356785 [0,1,0,0,0,0|0,1,1]=3 244 B8R1.8 C1=CSC(=C1)C=NO T169362 [0,1,0,0,0,0|0,2,1]=4 245 B8R1.8 C1=CSC(=C1)CC#N T117284 [0,1,0,0,0,0|1,1,0]=3 246 B8R1.8 C1=CSC(=C1)CCN T107627 [0,1,0,0,0,0|1,1,0]=3 247 B8R1.8 C1=CSC(=C1)CCN T493549 [0,1,0,0,0,0|1,1,0]=3 248 B8R1.8 C1=CSC(=C1)CCO T107405 [0,1,0,0,0,0|0,2,0]=3 249 B8R1.8 C1=CSC=C1CC#N T162812 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.8 C1=CSC=C1CCN T176215 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.8 C1=CSC=C1CCN T337701 [0,1,0,0,0,0|3,0,0]=4 252 B8R1.8 C1=CSC=C1CCO T162832 [0,1,0,0,0,0|2,1,0]=4 253 B8R1.8 CCCC1=CC=CO1 P160277 [0,1,0,0,0,0|1,0,0]=2 254 B8R1.8 CCCC1=CC=CS1 P167542 [0,1,0,0,0,0|1,1,0]=3 255 B8R1.8 CCCC1=CSC=C1 P160669 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.8 CCCC1=NC=CN1 P135164 [0,1,0,0,0,0|3,0,0]=4 257 B8R1.8 CCCC1=NC=CS1 P160319 [0,1,0,0,0,0|2,1,0]=4 258 B8R1.8 CCOC1=NC=CS1 E135543 [0,1,0,0,0,0|2,1,0]=4 259 B8R1.8 CNCC1=CC=CO1 I170508 [0,1,0,0,0,0|1,0,0]=2 260 B8R1.8 CSCC1=CC=CO1 F102908 [0,1,0,0,0,0|0,0,0]=1 261 B8R1.8 NCCC1=C[NH]C=N1 H408357 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.11 C1=CN(C(=C1)C#N)N A174579 [0,1,0,0,0,0|2,0,1]=4 263 B8R1.11 C1=COC(=C1Br)C=O B181580 [0,1,0,0,0,0|0,1,1]=3 264 B8R1.11 C1=CSC(=C1Br)C=O B123868 [0,1,0,0,0,0|0,2,1]=4 265 B8R1.11 CC1=C(N=CN1)CO H136151 [0,1,0,0,0,0|2,1,0]=4 266 B8R1.11 CC1=C(N=CN1)CO H157127 [0,1,0,0,0,0|2,1,0]=4 267 B8R1.11 CC1=C(SC=C1)C#N M185184 [0,1,0,0,0,0|1,1,1]=4 268 B8R1.11 CC1=C(SC=C1)C=O M157936 [0,1,0,0,0,0|0,2,1]=4 269 B8R1.11 CCN1C(=CC=N1)N E133315 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.11 CN1C=CC=C1C#N C183912 [0,1,0,0,0,0|2,0,1]=4 271 B8R1.11 CN1C=CC=C1C=O M158153 [0,1,0,0,0,0|1,1,1]=4 272 B8R1.11 CN1C=CN=C1CCl C186629 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.11 CN1C=CN=C1CN M586747 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.11 CN1C=CN=C1CO H157128 [0,1,0,0,0,0|2,1,0]=4 275 B6R0.1 C=COC(=O)CCl V162952 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.1 CCC(=O)C=CC E404567 [0,0,1,0,0,0|1,0,2]=4 277 B6R0.1 CCC(=O)C=CC H111425 [0,0,1,0,0,0|1,0,2]=4 278 B6R0.1 CCC(=O)OC=C V162937 [0,0,1,0,0,0|2,0,0]=3 279 B6R0.1 CCOC(=O)CS E109439 [0,0,1,0,0,0|1,0,2]=4 280 B6R0.6 C=CCOCCO A303300 [0,0,1,0,0,0|0,1,2]=4 281 B6R0.6 C=CCOCCO A303301 [0,0,1,0,0,0|0,1,2]=4 282 B6R0.6 C=CCOCCO E156080 [0,0,1,0,0,0|0,1,2]=4 283 B6R0.6 CC=CC=CC=O H156882 [0,0,1,0,0,0|1,0,2]=4 284 B6R0.6 CC=CC=CCO I167855 [0,0,1,0,0,0|1,1,0]=3 285 B6R0.6 CC=CC=CCO T470463 [0,0,1,0,0,0|1,1,0]=3 286 B6R0.6 CCC=CCCO C426965 [0,0,1,0,0,0|1,0,2]=4 287 B6R0.6 CCC=CCCO H112690 [0,0,1,0,0,0|1,0,2]=4 288 B6R0.6 CCC=CCCO L106205 [0,0,1,0,0,0|1,0,2]=4 289 B6R0.6 CCCC=CC=O H107633 [0,0,1,0,0,0|1,0,2]=4 290 B6R0.6 CCCC=CC=O T425385 [0,0,1,0,0,0|1,0,2]=4 291 B6R0.6 CCCC=CCO C153482 [0,0,1,0,0,0|1,0,2]=4 292 B6R0.6 CCCC=CCO H102077 [0,0,1,0,0,0|1,0,2]=4 293 B8R1.2 C#CC1=CC=CC=C1 P107030 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.2 C#CC1=CC=CC=C1 P332820 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.2 C#CC1=CC=CC=N1 E106166 [0,0,0,0,0,1|2,0,1]=4 296 B8R1.2 C#CC1=CC=NC=C1 E115761 [0,0,0,0,0,1|2,0,1]=4 297 B8R1.2 C#CC1=CC=NC=C1 E156047 [0,0,0,0,0,1|2,0,1]=4 298 B8R1.2 C#CC1=CN=CC=C1 E101379 [0,0,0,0,0,1|2,0,1]=4 299 B8R1.2 C#CC1=NC=CC=N1 E170018 [0,0,0,0,0,1|2,0,1]=4 300 B8R1.2 C1=CC(=CN=C1)C#N N104919 [0,0,0,0,0,1|2,0,1]=4 301 B8R1.2 C1=CC(=CN=C1)C=O P106877 [0,0,0,0,0,1|1,1,1]=4 302 B8R1.2 C1=CC(=CN=C1)CBr B137612 [0,0,0,0,0,1|2,0,0]=3 303 B8R1.2 C1=CC(=CN=C1)CCl P135883 [0,0,0,0,0,1|2,0,0]=3 304 B8R1.2 C1=CC(=CN=C1)CN P160053 [0,0,0,0,0,1|2,0,0]=3 305 B8R1.2 C1=CC(=CN=C1)CO P106580 [0,0,0,0,0,1|1,1,0]=3 306 B8R1.2 C1=CC(=NN=C1)C#N P170871 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.2 C1=CC=C(C=C1)C#N B104457 [0,0,0,0,0,1|2,0,1]=4 308 B8R1.2 C1=CC=C(C=C1)C#N B104458 [0,0,0,0,0,1|2,0,1]=4 309 B8R1.2 C1=CC=C(C=C1)C#N B110114 [0,0,0,0,0,1|2,0,1]=4 310 B8R1.2 C1=CC=C(C=C1)C#N B113726 [0,0,0,0,0,1|2,0,1]=4 311 B8R1.2 C1=CC=C(C=C1)C#N B119686 [0,0,0,0,0,1|2,0,1]=4 312 B8R1.2 C1=CC=C(C=C1)C#N B121683 [0,0,0,0,0,1|2,0,1]=4 313 B8R1.2 C1=CC=C(C=C1)C=O B110459 [0,0,0,0,0,1|1,1,1]=4 314 B8R1.2 C1=CC=C(C=C1)C=O B110460 [0,0,0,0,0,1|1,1,1]=4 315 B8R1.2 C1=CC=C(C=C1)C=O B110463 [0,0,0,0,0,1|1,1,1]=4 316 B8R1.2 C1=CC=C(C=C1)C=O B110464 [0,0,0,0,0,1|1,1,1]=4 317 B8R1.2 C1=CC=C(C=C1)C=O B266083 [0,0,0,0,0,1|1,1,1]=4 318 B8R1.2 C1=CC=C(C=C1)C=O B420281 [0,0,0,0,0,1|1,1,1]=4 319 B8R1.2 C1=CC=C(C=C1)C=O B472001 [0,0,0,0,0,1|1,1,1]=4 320 B8R1.2 C1=CC=C(C=C1)CBr B108549 [0,0,0,0,0,1|2,0,0]=3 321 B8R1.2 C1=CC=C(C=C1)CBr B471999 [0,0,0,0,0,1|2,0,0]=3 322 B8R1.2 C1=CC=C(C=C1)CBr B472021 [0,0,0,0,0,1|2,0,0]=3 323 B8R1.2 C1=CC=C(C=C1)CCl B110580 [0,0,0,0,0,1|2,0,0]=3 324 B8R1.2 C1=CC=C(C=C1)CCl B110581 [0,0,0,0,0,1|2,0,0]=3 325 B8R1.2 C1=CC=C(C=C1)CCl B110582 [0,0,0,0,0,1|2,0,0]=3 326 B8R1.2 C1=CC=C(C=C1)CCl B141153 [0,0,0,0,0,1|2,0,0]=3 327 B8R1.2 C1=CC=C(C=C1)CCl B431204 [0,0,0,0,0,1|2,0,0]=3 328 B8R1.2 C1=CC=C(C=C1)CCl B472028 [0,0,0,0,0,1|2,0,0]=3 329 B8R1.2 C1=CC=C(C=C1)CCl B472041 [0,0,0,0,0,1|2,0,0]=3 330 B8R1.2 C1=CC=C(C=C1)CN A348464 [0,0,0,0,0,1|2,0,0]=3 331 B8R1.2 C1=CC=C(C=C1)CN B108477 [0,0,0,0,0,1|2,0,0]=3 332 B8R1.2 C1=CC=C(C=C1)CN B152179 [0,0,0,0,0,1|2,0,0]=3 333 B8R1.2 C1=CC=C(C=C1)CN B152887 [0,0,0,0,0,1|2,0,0]=3 334 B8R1.2 C1=CC=C(C=C1)CN B152949 [0,0,0,0,0,1|2,0,0]=3 335 B8R1.2 C1=CC=C(C=C1)CN B304428 [0,0,0,0,0,1|2,0,0]=3 336 B8R1.2 C1=CC=C(C=C1)CN B485378 [0,0,0,0,0,1|2,0,0]=3 337 B8R1.2 C1=CC=C(C=C1)CN P493007 [0,0,0,0,0,1|2,0,0]=3 338 B8R1.2 C1=CC=C(C=C1)CN P493016 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.2 C1=CC=C(C=C1)CN P493100 [0,0,0,0,0,1|2,0,0]=3 340 B8R1.2 C1=CC=C(C=C1)CO B108199 [0,0,0,0,0,1|1,1,0]=3 341 B8R1.2 C1=CC=C(C=C1)CO B108202 [0,0,0,0,0,1|1,1,0]=3 342 B8R1.2 C1=CC=C(C=C1)CO B108203 [0,0,0,0,0,1|1,1,0]=3 343 B8R1.2 C1=CC=C(C=C1)CO B108204 [0,0,0,0,0,1|1,1,0]=3 344 B8R1.2 C1=CC=C(C=C1)CO B108205 [0,0,0,0,0,1|1,1,0]=3 345 B8R1.2 C1=CC=C(C=C1)CO B163018 [0,0,0,0,0,1|1,1,0]=3 346 B8R1.2 C1=CC=C(C=C1)CO B346959 [0,0,0,0,0,1|1,1,0]=3 347 B8R1.2 C1=CC=C(C=C1)CO B420278 [0,0,0,0,0,1|1,1,0]=3 348 B8R1.2 C1=CC=C(C=C1)CO B472101 [0,0,0,0,0,1|1,1,0]=3 349 B8R1.2 C1=CC=C(C=C1)CS B109256 [0,0,0,0,0,1|1,0,0]=2 350 B8R1.2 C1=CC=C(C=C1)I=O I157626 [0,0,0,0,0,1|2,1,0]=4 351 B8R1.2 C1=CC=C(C=C1)N=O N159156 [0,0,0,0,0,1|2,1,0]=4 352 B8R1.2 C1=CC=C(C=C1)NN P104684 [0,0,0,0,0,1|3,0,0]=4 353 B8R1.2 C1=CC=C(C=C1)NN P108563 [0,0,0,0,0,1|3,0,0]=4 354 B8R1.2 C1=CC=C(C=C1)NN P112739 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.2 C1=CC=C(C=C1)NN P579459 [0,0,0,0,0,1|3,0,0]=4 356 B8R1.2 C1=CC=C(C=C1)NO N131374 [0,0,0,0,0,1|2,1,0]=4 357 B8R1.2 C1=CC=C(C=C1)ON O464484 [0,0,0,0,0,1|3,0,0]=4 358 B8R1.2 C1=CC=C(C=C1)[As]=O P336440 [0,0,0,0,0,1|2,1,0]=4 359 B8R1.2 C1=CC=C(C=C1)[Hg]Cl P598721 [0,0,0,0,0,1|3,0,0]=4 360 B8R1.2 C1=CC=C(C=C1)[Se]Cl P160704 [0,0,0,0,0,1|3,0,0]=4 361 B8R1.2 C1=CC=NC(=C1)C#N P106583 [0,0,0,0,0,1|2,0,1]=4 362 B8R1.2 C1=CC=NC(=C1)C=O P105912 [0,0,0,0,0,1|1,1,1]=4 363 B8R1.2 C1=CC=NC(=C1)CBr B169474 [0,0,0,0,0,1|2,0,0]=3 364 B8R1.2 C1=CC=NC(=C1)CCl C117226 [0,0,0,0,0,1|2,0,0]=3 365 B8R1.2 C1=CC=NC(=C1)CN P107146 [0,0,0,0,0,1|2,0,0]=3 366 B8R1.2 C1=CC=NC(=C1)CO P106578 [0,0,0,0,0,1|1,1,0]=3 367 B8R1.2 C1=CC=NC(=C1)NN H133458 [0,0,0,0,0,1|3,0,0]=4 368 B8R1.2 C1=CN=C(C=N1)C#N P121629 [0,0,0,0,0,1|2,0,1]=4 369 B8R1.2 C1=CN=C(C=N1)C=O P176847 [0,0,0,0,0,1|1,1,1]=4 370 B8R1.2 C1=CN=C(C=N1)CN P175485 [0,0,0,0,0,1|2,0,0]=3 371 B8R1.2 C1=CN=C(C=N1)NN H176751 [0,0,0,0,0,1|3,0,0]=4 372 B8R1.2 C1=CN=C(N=C1)C#N P121628 [0,0,0,0,0,1|2,0,1]=4 373 B8R1.2 C1=CN=C(N=C1)CN P176301 [0,0,0,0,0,1|2,0,0]=3 374 B8R1.2 C1=CN=C(N=C1)CO P176469 [0,0,0,0,0,1|1,1,0]=3 375 B8R1.2 C1=CN=C(N=C1)NN H186413 [0,0,0,0,0,1|3,0,0]=4 376 B8R1.2 C1=CN=CC=C1C#N P110335 [0,0,0,0,0,1|2,0,1]=4 377 B8R1.2 C1=CN=CC=C1C=O P105913 [0,0,0,0,0,1|1,1,1]=4 378 B8R1.2 C1=CN=CC=C1CBr B135280 [0,0,0,0,0,1|2,0,0]=3 379 B8R1.2 C1=CN=CC=C1CCl C107154 [0,0,0,0,0,1|2,0,0]=3 380 B8R1.2 C1=CN=CC=C1CN A107215 [0,0,0,0,0,1|2,0,0]=3 381 B8R1.2 C1=CN=CC=C1CN P194376 [0,0,0,0,0,1|2,0,0]=3 382 B8R1.2 C1=CN=CC=C1CO P107414 [0,0,0,0,0,1|1,1,0]=3 383 B8R1.2 C1=CN=CC=C1NN H175681 [0,0,0,0,0,1|3,0,0]=4 384 B8R1.2 C1=CN=CN=C1CO P176166 [0,0,0,0,0,1|1,1,0]=3 385 B8R1.2 C1CC(OC=C1)CO D117672 [0,0,0,0,0,1|0,1,2]=4 386 B8R1.2 C=CC1=CC=CC=C1 A304890 [0,0,0,0,0,1|2,0,1]=4 387 B8R1.2 C=CC1=CC=CC=C1 P107084 [0,0,0,0,0,1|2,0,1]=4 388 B8R1.2 C=CC1=CC=CC=C1 P107085 [0,0,0,0,0,1|2,0,1]=4 389 B8R1.2 C=CC1=CC=CC=C1 P107086 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.2 C=CC1=CC=CC=C1 P107087 [0,0,0,0,0,1|2,0,1]=4 391 B8R1.2 C=CC1=CC=CC=C1 P107088 [0,0,0,0,0,1|2,0,1]=4 392 B8R1.2 C=CC1=CC=CC=C1 P107089 [0,0,0,0,0,1|2,0,1]=4 393 B8R1.2 C=CC1=CC=CC=C1 P107090 [0,0,0,0,0,1|2,0,1]=4 394 B8R1.2 C=CC1=CC=CC=C1 P107091 [0,0,0,0,0,1|2,0,1]=4 395 B8R1.2 C=CC1=CC=CC=C1 P107772 [0,0,0,0,0,1|2,0,1]=4 396 B8R1.2 C=CC1=CC=CC=C1 P107773 [0,0,0,0,0,1|2,0,1]=4 397 B8R1.2 C=CC1=CC=CC=C1 P107774 [0,0,0,0,0,1|2,0,1]=4 398 B8R1.2 C=CC1=CC=CC=C1 P107775 [0,0,0,0,0,1|2,0,1]=4 399 B8R1.2 C=CC1=CC=CC=C1 P107776 [0,0,0,0,0,1|2,0,1]=4 400 B8R1.2 C=CC1=CC=CC=C1 P107777 [0,0,0,0,0,1|2,0,1]=4 401 B8R1.2 C=CC1=CC=CC=C1 P107778 [0,0,0,0,0,1|2,0,1]=4 402 B8R1.2 C=CC1=CC=CC=C1 P107779 [0,0,0,0,0,1|2,0,1]=4 403 B8R1.2 C=CC1=CC=CC=C1 P107780 [0,0,0,0,0,1|2,0,1]=4 404 B8R1.2 C=CC1=CC=CC=C1 P107782 [0,0,0,0,0,1|2,0,1]=4 405 B8R1.2 C=CC1=CC=CC=C1 P107783 [0,0,0,0,0,1|2,0,1]=4 406 B8R1.2 C=CC1=CC=CC=C1 P107784 [0,0,0,0,0,1|2,0,1]=4 407 B8R1.2 C=CC1=CC=CC=C1 P107786 [0,0,0,0,0,1|2,0,1]=4 408 B8R1.2 C=CC1=CC=CC=C1 P107787 [0,0,0,0,0,1|2,0,1]=4 409 B8R1.2 C=CC1=CC=CC=C1 P107789 [0,0,0,0,0,1|2,0,1]=4 410 B8R1.2 C=CC1=CC=CC=C1 P107790 [0,0,0,0,0,1|2,0,1]=4 411 B8R1.2 C=CC1=CC=CC=C1 P107791 [0,0,0,0,0,1|2,0,1]=4 412 B8R1.2 C=CC1=CC=CC=C1 P107792 [0,0,0,0,0,1|2,0,1]=4 413 B8R1.2 C=CC1=CC=CC=C1 P107793 [0,0,0,0,0,1|2,0,1]=4 414 B8R1.2 C=CC1=CC=CC=C1 P107794 [0,0,0,0,0,1|2,0,1]=4 415 B8R1.2 C=CC1=CC=CC=C1 P107795 [0,0,0,0,0,1|2,0,1]=4 416 B8R1.2 C=CC1=CC=CC=C1 P107796 [0,0,0,0,0,1|2,0,1]=4 417 B8R1.2 C=CC1=CC=CC=C1 P107797 [0,0,0,0,0,1|2,0,1]=4 418 B8R1.2 C=CC1=CC=CC=C1 P107798 [0,0,0,0,0,1|2,0,1]=4 419 B8R1.2 C=CC1=CC=CC=C1 P107801 [0,0,0,0,0,1|2,0,1]=4 420 B8R1.2 C=CC1=CC=CC=C1 P107802 [0,0,0,0,0,1|2,0,1]=4 421 B8R1.2 C=CC1=CC=CC=C1 P107803 [0,0,0,0,0,1|2,0,1]=4 422 B8R1.2 C=CC1=CC=CC=C1 P107804 [0,0,0,0,0,1|2,0,1]=4 423 B8R1.2 C=CC1=CC=CC=C1 P107805 [0,0,0,0,0,1|2,0,1]=4 424 B8R1.2 C=CC1=CC=CC=C1 P107806 [0,0,0,0,0,1|2,0,1]=4 425 B8R1.2 C=CC1=CC=CC=C1 P107807 [0,0,0,0,0,1|2,0,1]=4 426 B8R1.2 C=CC1=CC=CC=C1 P107808 [0,0,0,0,0,1|2,0,1]=4 427 B8R1.2 C=CC1=CC=CC=C1 P107809 [0,0,0,0,0,1|2,0,1]=4 428 B8R1.2 C=CC1=CC=CC=C1 P107810 [0,0,0,0,0,1|2,0,1]=4 429 B8R1.2 C=CC1=CC=CC=C1 P107811 [0,0,0,0,0,1|2,0,1]=4 430 B8R1.2 C=CC1=CC=CC=C1 P107812 [0,0,0,0,0,1|2,0,1]=4 431 B8R1.2 C=CC1=CC=CC=C1 P107813 [0,0,0,0,0,1|2,0,1]=4 432 B8R1.2 C=CC1=CC=CC=C1 P107814 [0,0,0,0,0,1|2,0,1]=4 433 B8R1.2 C=CC1=CC=CC=C1 P119494 [0,0,0,0,0,1|2,0,1]=4 434 B8R1.2 C=CC1=CC=CC=C1 P119495 [0,0,0,0,0,1|2,0,1]=4 435 B8R1.2 C=CC1=CC=CC=C1 P119496 [0,0,0,0,0,1|2,0,1]=4 436 B8R1.2 C=CC1=CC=CC=C1 P119498 [0,0,0,0,0,1|2,0,1]=4 437 B8R1.2 C=CC1=CC=CC=C1 P119572 [0,0,0,0,0,1|2,0,1]=4 438 B8R1.2 C=CC1=CC=CC=C1 P304886 [0,0,0,0,0,1|2,0,1]=4 439 B8R1.2 C=CC1=CC=CC=C1 P304889 [0,0,0,0,0,1|2,0,1]=4 440 B8R1.2 C=CC1=CC=CC=C1 P434446 [0,0,0,0,0,1|2,0,1]=4 441 B8R1.2 C=CC1=CC=CC=C1 P434450 [0,0,0,0,0,1|2,0,1]=4 442 B8R1.2 C=CC1=CC=CC=C1 P434455 [0,0,0,0,0,1|2,0,1]=4 443 B8R1.2 C=CC1=CC=CC=C1 P476626 [0,0,0,0,0,1|2,0,1]=4 444 B8R1.2 C=CC1=CC=CC=C1 P490073 [0,0,0,0,0,1|2,0,1]=4 445 B8R1.2 C=CC1=CC=CC=C1 P638578 [0,0,0,0,0,1|2,0,1]=4 446 B8R1.2 C=CC1=CC=CC=C1 S110374 [0,0,0,0,0,1|2,0,1]=4 447 B8R1.2 C=CC1=CC=CC=C1 S110375 [0,0,0,0,0,1|2,0,1]=4 448 B8R1.2 C=CC1=CC=CC=C1 S110376 [0,0,0,0,0,1|2,0,1]=4 449 B8R1.2 C=CC1=CC=CC=C1 S110377 [0,0,0,0,0,1|2,0,1]=4 450 B8R1.2 C=CC1=CC=CC=C1 S110378 [0,0,0,0,0,1|2,0,1]=4 451 B8R1.2 C=CC1=CC=CC=C1 S121282 [0,0,0,0,0,1|2,0,1]=4 452 B8R1.2 C=CC1=CC=CC=N1 V106227 [0,0,0,0,0,1|2,0,1]=4 453 B8R1.2 C=CC1=CC=NC=C1 P303219 [0,0,0,0,0,1|2,0,1]=4 454 B8R1.2 C=CC1=CC=NC=C1 P303220 [0,0,0,0,0,1|2,0,1]=4 455 B8R1.2 C=CC1=CC=NC=C1 P466518 [0,0,0,0,0,1|2,0,1]=4 456 B8R1.2 C=CC1=CC=NC=C1 V105595 [0,0,0,0,0,1|2,0,1]=4 457 B8R1.2 C=CC1=CN=CC=C1 V138030 [0,0,0,0,0,1|2,0,1]=4 458 B8R1.2 CCC1=CC=CC=C1 E108144 [0,0,0,0,0,1|2,0,0]=3 459 B8R1.2 CCC1=CC=CC=C1 E108145 [0,0,0,0,0,1|2,0,0]=3 460 B8R1.2 CCC1=CC=CC=C1 E108146 [0,0,0,0,0,1|2,0,0]=3 461 B8R1.2 CCC1=CC=CC=C1 E108148 [0,0,0,0,0,1|2,0,0]=3 462 B8R1.2 CCC1=CC=CC=C1 E108149 [0,0,0,0,0,1|2,0,0]=3 463 B8R1.2 CCC1=CC=CC=C1 E117364 [0,0,0,0,0,1|2,0,0]=3 464 B8R1.2 CCC1=CC=CC=N1 E156565 [0,0,0,0,0,1|2,0,0]=3 465 B8R1.2 CCC1=CC=NC=C1 E106225 [0,0,0,0,0,1|2,0,0]=3 466 B8R1.2 CCC1=CN=CC=C1 E156048 [0,0,0,0,0,1|2,0,0]=3 467 B8R1.2 CCC1=NC=CN=C1 E156371 [0,0,0,0,0,1|2,0,0]=3 468 B8R1.2 CC[N+]1=CC=CC=C1 E102660 [0,0,0,0,0,1|3,0,0]=4 469 B8R1.2 CC[N+]1=CC=CC=C1 E102661 [0,0,0,0,0,1|3,0,0]=4 470 B8R1.2 CNC1=CC=CC=C1 M109539 [0,0,0,0,0,1|3,0,0]=4 471 B8R1.2 CNC1=CC=CC=C1 M109540 [0,0,0,0,0,1|3,0,0]=4 472 B8R1.2 CNC1=CC=CC=N1 M158828 [0,0,0,0,0,1|3,0,0]=4 473 B8R1.2 CNC1=CC=NC=C1 M119978 [0,0,0,0,0,1|3,0,0]=4 474 B8R1.2 CNC1=CN=CC=C1 M158833 [0,0,0,0,0,1|3,0,0]=4 475 B8R1.2 CNC1=NC=CC=N1 N339574 [0,0,0,0,0,1|3,0,0]=4 476 B8R1.2 COC1=CC=CC=C1 A103680 [0,0,0,0,0,1|3,0,0]=4 477 B8R1.2 COC1=CC=CC=C1 A103683 [0,0,0,0,0,1|3,0,0]=4 478 B8R1.2 COC1=CC=CC=C1 A103684 [0,0,0,0,0,1|3,0,0]=4 479 B8R1.2 COC1=CC=CC=C1 A105952 [0,0,0,0,0,1|3,0,0]=4 480 B8R1.2 COC1=CC=CC=C1 A472026 [0,0,0,0,0,1|3,0,0]=4 481 B8R1.2 COC1=CC=CC=N1 M120557 [0,0,0,0,0,1|3,0,0]=4 482 B8R1.2 COC1=CC=NC=C1 M120571 [0,0,0,0,0,1|3,0,0]=4 483 B8R1.2 COC1=CN=CC=C1 M134006 [0,0,0,0,0,1|3,0,0]=4 484 B8R1.2 COC1=NC=CN=C1 M136222 [0,0,0,0,0,1|3,0,0]=4 485 B8R1.2 COC1=NC=NC=C1 M158443 [0,0,0,0,0,1|3,0,0]=4 486 B8R1.2 COC1=NN=CC=C1 M157842 [0,0,0,0,0,1|3,0,0]=4 487 B8R1.2 CSC1=CC=CC=C1 T107511 [0,0,0,0,0,1|3,0,0]=4 488 B8R1.2 CSC1=CC=CC=N1 M132299 [0,0,0,0,0,1|3,0,0]=4 489 B8R1.2 CSC1=NC=CC=N1 M186764 [0,0,0,0,0,1|3,0,0]=4 490 B8R1.2 CSC1=NC=CN=C1 M132836 [0,0,0,0,0,1|3,0,0]=4 491 B8R1.2 C[Si]C1=CC=CC=C1 M338232 [0,0,0,0,0,1|2,1,0]=4 492 B8R1.2 [C-]#CC1=CC=CC=C1 C282525 [0,0,0,0,0,1|2,0,1]=4 493 B8R1.2 [C-]#CC1=CC=CC=C1 P331408 [0,0,0,0,0,1|2,0,1]=4 494 B5R0.1 C=CCC(=O)O B152769 [1,0,1,0,0,0|0,1,1]=4 495 B5R0.1 C=CCC(=O)O B152771 [1,0,1,0,0,0|0,1,1]=4 496 B5R0.1 CC(=CC=O)C M158692 [1,0,1,0,0,0|2,0,0]=4 497 B5R0.1 CC(=O)NC=C N159504 [1,0,1,0,0,0|1,0,1]=4 498 B5R0.1 CC(=O)OC=C P101483 [1,0,1,0,0,0|1,0,0]=3 499 B5R0.1 CC(=O)OC=C P101485 [1,0,1,0,0,0|1,0,0]=3 500 B5R0.1 CC(=O)OC=C P101486 [1,0,1,0,0,0|1,0,0]=3 501 B5R0.1 CC(=O)OC=C P301634 [1,0,1,0,0,0|1,0,0]=3 502 B5R0.1 CC(=O)OC=C P304876 [1,0,1,0,0,0|1,0,0]=3 503 B5R0.1 CC(=O)OC=C P304877 [1,0,1,0,0,0|1,0,0]=3 504 B5R0.1 CC(=O)OC=C P304879 [1,0,1,0,0,0|1,0,0]=3 505 B5R0.1 CC(=O)OC=C P304880 [1,0,1,0,0,0|1,0,0]=3 506 B5R0.1 CC(=O)OC=C P304881 [1,0,1,0,0,0|1,0,0]=3 507 B5R0.1 CC(=O)OC=C P432376 [1,0,1,0,0,0|1,0,0]=3 508 B5R0.1 CC(=O)OC=C P489072 [1,0,1,0,0,0|1,0,0]=3 509 B5R0.1 CC(=O)OC=C V104470 [1,0,1,0,0,0|1,0,0]=3 510 B5R0.1 CC(=O)OC=C V104471 [1,0,1,0,0,0|1,0,0]=3 511 B5R0.1 CC(=O)OC=C V104472 [1,0,1,0,0,0|1,0,0]=3 512 B5R0.1 CC(CC=C)O P160534 [1,0,1,0,0,0|0,0,2]=4 513 B5R0.1 CC(CC=C)O R467366 [1,0,1,0,0,0|0,0,2]=4 514 B5R0.1 CC(CC=C)O S467331 [1,0,1,0,0,0|0,0,2]=4 515 B5R0.1 CC=CC(=O)C P139100 [1,0,1,0,0,0|0,0,2]=4 516 B5R0.1 CC=CC(=O)O C104149 [1,0,1,0,0,0|0,1,1]=4 517 B5R0.1 CC=CC(=O)O C104150 [1,0,1,0,0,0|0,1,1]=4 518 B5R0.2 C(C=CCO)O B107560 [1,0,1,0,0,0|0,1,1]=4 519 B5R0.2 C(C=CCO)O B111227 [1,0,1,0,0,0|0,1,1]=4 520 B5R0.2 C(C=CCO)O T162684 [1,0,1,0,0,0|0,1,1]=4 521 B5R0.2 C=CCOC=C A354946 [1,0,1,0,0,0|0,0,2]=4 522 B5R0.2 C=COCCO E135293 [1,0,1,0,0,0|0,1,1]=4 523 B5R0.2 CC=CC=CC H113628 [1,0,1,0,0,0|1,0,0]=3 524 B5R0.2 CC=CCC=C H157263 [1,0,1,0,0,0|1,0,1]=4 525 B5R0.2 CC=CCC=C T162375 [1,0,1,0,0,0|1,0,1]=4 526 B5R0.2 CCC=CC=O T161487 [1,0,1,0,0,0|0,0,2]=4 527 B5R0.2 CCC=CCO C153493 [1,0,1,0,0,0|0,0,2]=4 528 B5R0.2 CCC=CCO T299958 [1,0,1,0,0,0|0,0,2]=4 529 B5R0.2 CCCOC=C P137362 [1,0,1,0,0,0|1,0,1]=4 530 B5R0.2 CCOC=CC E122346 [1,0,1,0,0,0|0,0,2]=4 531 B5R0.2 CCOCC=C A151091 [1,0,1,0,0,0|0,0,2]=4 532 B5R0.2 ClCCOC=C V141139 [1,0,1,0,0,0|1,0,1]=4 533 B5R0.3 C=CC(CO)O B589259 [1,0,1,0,0,0|0,1,1]=4 534 B5R0.3 CCC(=C)C=O E189230 [1,0,1,0,0,0|2,0,0]=4 535 B5R0.3 CCC(C=C)O P160532 [1,0,1,0,0,0|1,0,1]=4 536 B5R0.3 COC(=O)C=C M100029 [1,0,1,0,0,0|0,1,1]=4 537 B5R0.3 COC(=O)C=C M100030 [1,0,1,0,0,0|0,1,1]=4 538 B5R0.3 COC(=O)C=C M100032 [1,0,1,0,0,0|0,1,1]=4 539 B5R0.3 COC(=O)C=C M100033 [1,0,1,0,0,0|0,1,1]=4 540 B5R0.3 COC(=O)CS M103140 [1,0,1,0,0,0|1,0,1]=4 541 B5R1.1 C1=CN=CN1 I108704 [2,0,0,0,0,0|2,0,0]=4 542 B5R1.1 C1=CN=CN1 I108705 [2,0,0,0,0,0|2,0,0]=4 543 B5R1.1 C1=CN=CN1 I108706 [2,0,0,0,0,0|2,0,0]=4 544 B5R1.1 C1=CN=CN1 I108707 [2,0,0,0,0,0|2,0,0]=4 545 B5R1.1 C1=CN=CN1 I119539 [2,0,0,0,0,0|2,0,0]=4 546 B5R1.1 C1=CN=CN1 I120637 [2,0,0,0,0,0|2,0,0]=4 547 B5R1.1 C1=CN=CN1 I157487 [2,0,0,0,0,0|2,0,0]=4 548 B5R1.1 C1=CN=CN1 I157495 [2,0,0,0,0,0|2,0,0]=4 549 B5R1.1 C1=CN=CN1 I423011 [2,0,0,0,0,0|2,0,0]=4 550 B5R1.1 C1=CN=CN1 I432537 [2,0,0,0,0,0|2,0,0]=4 551 B5R1.1 C1=CN=CN1 I432539 [2,0,0,0,0,0|2,0,0]=4 552 B5R1.1 C1=CN=CN1 I432546 [2,0,0,0,0,0|2,0,0]=4 553 B5R1.1 C1=CN=CN1 I485681 [2,0,0,0,0,0|2,0,0]=4 554 B5R1.1 C1=CNC=C1 P104877 [2,0,0,0,0,0|1,0,0]=3 555 B5R1.1 C1=CNC=C1 P104878 [2,0,0,0,0,0|1,0,0]=3 556 B5R1.1 C1=CNC=C1 P104879 [2,0,0,0,0,0|1,0,0]=3 557 B5R1.1 C1=CNC=C1 P476183 [2,0,0,0,0,0|1,0,0]=3 558 B5R1.1 C1=CNC=C1 P476334 [2,0,0,0,0,0|1,0,0]=3 559 B5R1.1 C1=CNN=C1 P100994 [2,0,0,0,0,0|2,0,0]=4 560 B5R1.1 C1=CNN=C1 P423007 [2,0,0,0,0,0|2,0,0]=4 561 B5R1.1 C1=COC=N1 O100893 [2,0,0,0,0,0|1,0,0]=3 562 B5R1.1 C1=CON=C1 I133354 [2,0,0,0,0,0|1,0,0]=3 563 B5R1.1 C1=CSC=C1 T108258 [2,0,0,0,0,0|0,1,0]=3 564 B5R1.1 C1=CSC=C1 T108259 [2,0,0,0,0,0|0,1,0]=3 565 B5R1.1 C1=CSC=N1 T122421 [2,0,0,0,0,0|1,1,0]=4 566 B5R1.1 C1=CSN=C1 I157521 [2,0,0,0,0,0|1,1,0]=4 567 B5R1.1 C1C=CC=[C-]1 B283543 [2,0,0,0,0,0|1,0,1]=4 568 B5R1.1 C1C=CC=[C-]1 H157415 [2,0,0,0,0,0|1,0,1]=4 569 B5R1.1 C1C=CC=[C-]1 T106759 [2,0,0,0,0,0|1,0,1]=4 570 B5R1.1 C1C=CCO1 D101471 [2,0,0,0,0,0|0,0,2]=4 571 B5R1.1 C1COC=C1 D106435 [2,0,0,0,0,0|0,0,2]=4 572 B5R1.1 [CH-]1C=CC=C1 B115565 [2,0,0,0,0,0|1,0,0]=3 573 B5R1.1 [CH-]1C=CC=C1 C113788 [2,0,0,0,0,0|1,0,0]=3 574 B5R1.1 [CH-]1C=CC=C1 C299989 [2,0,0,0,0,0|1,0,0]=3 575 B5R1.1 [CH-]1C=CC=C1 F108389 [2,0,0,0,0,0|1,0,0]=3 576 B5R1.1 [CH-]1C=CC=C1 F108390 [2,0,0,0,0,0|1,0,0]=3 577 B5R1.1 [CH-]1C=CC=C1 T283036 [2,0,0,0,0,0|1,0,0]=3 578 B5R1.1 [CH-]1C=CC=C1 Z103200 [2,0,0,0,0,0|1,0,0]=3 579 B7R0.3 C=CCOC(=O)CCl A113257 [0,1,1,0,0,0|2,0,0]=4 580 B7R0.3 CCC(C=CC=O)O E347259 [0,1,1,0,0,0|1,0,1]=4 581 B7R0.7 CCCC(=O)OC=C V162944 [0,1,1,0,0,0|2,0,0]=4 582 B7R0.1 CCC=CC=CC=O H102914 [0,1,1,0,0,0|1,0,1]=4 583 B7R0.4 CC=CC=CC(=O)O H431430 [0,1,1,0,0,0|1,0,1]=4 584 B7R0.4 CC=CC=CC(=O)O S101106 [0,1,1,0,0,0|1,0,1]=4 585 B7R0.4 CC=CC=CC(=O)O S101108 [0,1,1,0,0,0|1,0,1]=4 586 B7R0.4 CC=CC=CC(=O)O S101109 [0,1,1,0,0,0|1,0,1]=4 587 B7R0.4 CC=CC=CC(=O)O S101111 [0,1,1,0,0,0|1,0,1]=4 588 B7R0.4 CC=CC=CC(=O)O S420601 [0,1,1,0,0,0|1,0,1]=4 589 B7R0.4 CCC=CCC(=O)O H101494 [0,1,1,0,0,0|1,0,1]=4 590 B7R0.4 CCCC=CC(=O)O H107513 [0,1,1,0,0,0|1,0,1]=4 591 B7R0.4 CCCC=CC(=O)O H400070 [0,1,1,0,0,0|1,0,1]=4 592 B7R0.4 CCOC=CC(=O)O E185593 [0,1,1,0,0,0|2,0,0]=4 593 B7R1.2 C1=C(OC(=C1)Br)Br D154954 [1,1,0,0,0,0|1,0,0]=3 594 B7R1.2 C1=C(SC(=C1)Br)Br D100660 [1,1,0,0,0,0|1,1,0]=4 595 B7R1.2 C1=C(SC(=C1)Br)Cl B153193 [1,1,0,0,0,0|1,1,0]=4 596 B7R1.2 C1=C(SC(=C1)Cl)Cl D101617 [1,1,0,0,0,0|1,1,0]=4 597 B7R1.2 C1=C(SC(=C1)I)I D155849 [1,1,0,0,0,0|1,1,0]=4 598 B7R1.2 C1=C(SC=C1Br)Br D136154 [1,1,0,0,0,0|1,1,0]=4 599 B7R1.2 C1=C(SC=C1Br)Cl B354145 [1,1,0,0,0,0|1,1,0]=4 600 B7R1.2 C1=C([Se]C(=C1)Br)Br D155787 [1,1,0,0,0,0|1,1,0]=4 601 B7R1.2 C1=CC(=O)NC1=O M100788 [1,1,0,0,0,0|1,1,0]=4 602 B7R1.2 C1=CC(=O)NC1=O M424627 [1,1,0,0,0,0|1,1,0]=4 603 B7R1.2 C1=CC(=O)OC1=O M116389 [1,1,0,0,0,0|0,1,0]=3 604 B7R1.2 C1=CC(=O)OC1=O M332470 [1,1,0,0,0,0|0,1,0]=3 605 B7R1.2 C1=CC(=O)OC1=O P134891 [1,1,0,0,0,0|0,1,0]=3 606 B7R1.2 C1=CC(=O)OC1=O P303284 [1,1,0,0,0,0|0,1,0]=3 607 B7R1.2 C1=CC(=O)OC1=O P304899 [1,1,0,0,0,0|0,1,0]=3 608 B7R1.2 C1=CC(=O)OC1=O P434514 [1,1,0,0,0,0|0,1,0]=3 609 B7R1.2 C1=CC(=O)OC1=O P434525 [1,1,0,0,0,0|0,1,0]=3 610 B7R1.2 C1=CC(=O)OC1=O P434526 [1,1,0,0,0,0|0,1,0]=3 611 B7R1.2 C1=CC(=O)OC1=O P493757 [1,1,0,0,0,0|0,1,0]=3 612 B7R1.2 C1=CC(=O)OC1O H302820 [1,1,0,0,0,0|0,1,1]=4 613 B7R1.2 C1C(=CC(=O)O1)O T103765 [1,1,0,0,0,0|0,1,1]=4 614 B7R1.2 C1C(=O)C=CC1=O C356087 [1,1,0,0,0,0|1,1,0]=4 615 B7R1.2 CC1=CC(=CN1)C D123132 [1,1,0,0,0,0|1,0,0]=3 616 B7R1.2 CC1=CC(=CS1)Br B111413 [1,1,0,0,0,0|0,1,0]=3 617 B7R1.2 CC1=CC(=CS1)C D304246 [1,1,0,0,0,0|0,1,0]=3 618 B7R1.2 CC1=CC(=NN1)C D139167 [1,1,0,0,0,0|2,0,0]=4 619 B7R1.2 CC1=CC(=NN1)N A151511 [1,1,0,0,0,0|2,0,0]=4 620 B7R1.2 CC1=CC(=NO1)C D122898 [1,1,0,0,0,0|1,0,0]=3 621 B7R1.2 CC1=CC(=NO1)N A151654 [1,1,0,0,0,0|1,0,0]=3 622 B7R1.2 CC1=CC(=O)CC1 M109537 [1,1,0,0,0,0|1,0,1]=4 623 B7R1.2 CC1=CC(=O)NN1 M133849 [1,1,0,0,0,0|2,0,0]=4 624 B7R1.2 CC1=CC(=O)NO1 BWY397355 [1,1,0,0,0,0|1,0,0]=3 625 B7R1.2 CC1=CC(=O)NO1 BWY397369 [1,1,0,0,0,0|1,0,0]=3 626 B7R1.2 CC1=CC(=O)NO1 BWY397380 [1,1,0,0,0,0|1,0,0]=3 627 B7R1.2 CC1=CC(=O)NO1 H109938 [1,1,0,0,0,0|1,0,0]=3 628 B7R1.2 CC1=CC(=O)NO1 H140830 [1,1,0,0,0,0|1,0,0]=3 629 B7R1.2 CC1=CC(=O)OC1 M158202 [1,1,0,0,0,0|0,1,1]=4 630 B7R1.2 CC1=CC=C(N1)C D113404 [1,1,0,0,0,0|1,0,0]=3 631 B7R1.2 CC1=CC=C(O1)C D113405 [1,1,0,0,0,0|0,0,0]=2 632 B7R1.2 CC1=CC=C(S1)Br B101591 [1,1,0,0,0,0|0,1,0]=3 633 B7R1.2 CC1=CC=C(S1)C D155809 [1,1,0,0,0,0|0,1,0]=3 634 B7R1.2 CC1=CC=C(S1)Cl C153324 [1,1,0,0,0,0|0,1,0]=3 635 B7R1.2 CC1=CC=C(S1)I I101863 [1,1,0,0,0,0|0,1,0]=3 636 B7R1.2 CC1=CCC(=O)O1 A151155 [1,1,0,0,0,0|0,0,1]=3 637 B7R1.2 CC1=CCC(=O)O1 A433012 [1,1,0,0,0,0|0,0,1]=3 638 B7R1.2 CC1=CN=C(N1)C D139451 [1,1,0,0,0,0|2,0,0]=4 639 B7R1.2 CC1=CN=C(S1)Br B152756 [1,1,0,0,0,0|1,1,0]=4 640 B7R1.2 CC1=CN=C(S1)N A102155 [1,1,0,0,0,0|1,1,0]=4 641 B7R1.2 CC1=COC(=N1)C D139217 [1,1,0,0,0,0|1,0,0]=3 642 B7R1.2 CC1=COC(=N1)N M588855 [1,1,0,0,0,0|2,0,0]=4 643 B7R1.2 CC1=CSC(=C1)Br B153082 [1,1,0,0,0,0|1,1,0]=4 644 B7R1.2 CC1=CSC(=N1)Br B123638 [1,1,0,0,0,0|2,0,0]=4 645 B7R1.2 CC1=CSC(=N1)C D119299 [1,1,0,0,0,0|1,1,0]=4 646 B7R1.2 CC1=CSC(=N1)N A151202 [1,1,0,0,0,0|2,0,0]=4 647 B7R1.2 CC1=CSC(=N1)N A167666 [1,1,0,0,0,0|2,0,0]=4 648 B7R1.2 CC1=CSC(=S)N1 M345336 [1,1,0,0,0,0|2,0,0]=4 649 B7R1.2 CC1=NC(=CS1)Br B176047 [1,1,0,0,0,0|1,1,0]=4 650 B7R1.2 CC1=NC(=NO1)N M170183 [1,1,0,0,0,0|2,0,0]=4 651 B7R1.2 CC1=NC=C(N1)Br B181890 [1,1,0,0,0,0|2,0,0]=4 652 B7R1.2 CC1=NC=C(S1)Br B344998 [1,1,0,0,0,0|1,1,0]=4 653 B7R1.2 CC1=NN(C=C1)C D154769 [1,1,0,0,0,0|2,0,0]=4 654 B7R1.2 CC1=NN=C(O1)Br B590400 [1,1,0,0,0,0|2,0,0]=4 655 B7R1.2 CC1=NN=C(O1)N M193769 [1,1,0,0,0,0|2,0,0]=4 656 B7R1.2 CC1=NOC(=C1)N A151656 [1,1,0,0,0,0|2,0,0]=4 657 B7R1.2 CC1=NSC(=C1)N A119078 [1,1,0,0,0,0|2,0,0]=4 658 B7R1.2 CN1C=C(C=N1)Br B122572 [1,1,0,0,0,0|2,0,0]=4 659 B7R1.2 CN1C=C(C=N1)I I115817 [1,1,0,0,0,0|2,0,0]=4 660 B7R1.2 CN1C=C(C=N1)N M173173 [1,1,0,0,0,0|2,0,0]=4 661 B7R1.2 CN1C=C(C=N1)O M590179 [1,1,0,0,0,0|2,0,0]=4 662 B7R1.2 CN1C=CC(=N1)Br B122406 [1,1,0,0,0,0|2,0,0]=4 663 B7R1.2 CN1C=CC(=N1)I I195872 [1,1,0,0,0,0|2,0,0]=4 664 B7R1.2 CN1C=CC(=N1)N A103123 [1,1,0,0,0,0|2,0,0]=4 665 B7R1.2 CN1C=CC(=O)N1 M193770 [1,1,0,0,0,0|2,0,0]=4 666 B7R1.4 C1=CSC(=C1Br)Br D100742 [1,1,0,0,0,0|1,1,0]=4 667 B7R1.4 C1=CSC(=C1Br)Cl C101618 [1,1,0,0,0,0|1,1,0]=4 668 B7R1.4 C1=CSC(=C1Cl)Cl D101858 [1,1,0,0,0,0|1,1,0]=4 669 B7R1.4 CC1=C(C=CO1)S M102912 [1,1,0,0,0,0|0,0,0]=2 670 B7R1.4 CC1=C(C=CS1)Br B183547 [1,1,0,0,0,0|0,1,0]=3 671 B7R1.4 CC1=C(C=NN1)Br B138193 [1,1,0,0,0,0|2,0,0]=4 672 B7R1.4 CC1=C(C=NN1)I I167610 [1,1,0,0,0,0|2,0,0]=4 673 B7R1.4 CC1=C(C=NN1)N M586416 [1,1,0,0,0,0|2,0,0]=4 674 B7R1.4 CC1=C(N=CN1)C D589384 [1,1,0,0,0,0|2,0,0]=4 675 B7R1.4 CC1=C(NN=C1)C D175998 [1,1,0,0,0,0|2,0,0]=4 676 B7R1.4 CC1=C(NN=C1)C D302720 [1,1,0,0,0,0|2,0,0]=4 677 B7R1.4 CC1=C(SC=C1)Br B103181 [1,1,0,0,0,0|1,1,0]=4 678 B7R1.4 CC1=C(SC=C1)C D135046 [1,1,0,0,0,0|0,1,0]=3 679 B7R1.4 CC1=C(SC=C1)Cl C101382 [1,1,0,0,0,0|1,1,0]=4 680 B7R1.4 CC1=C(SC=N1)C D119298 [1,1,0,0,0,0|1,1,0]=4 681 B7R1.4 CC1=CC=NN1C D154766 [1,1,0,0,0,0|2,0,0]=4 682 B7R1.4 CC1=CCOC1=O M158201 [1,1,0,0,0,0|0,1,1]=4 683 B7R1.4 CC1=CSC=C1Br B123867 [1,1,0,0,0,0|2,0,0]=4 684 B7R1.4 CC1=NC=CN1C D106351 [1,1,0,0,0,0|2,0,0]=4 685 B7R1.4 CN1C(=CC=N1)I I138694 [1,1,0,0,0,0|2,0,0]=4 686 B7R1.4 CN1C(=CC=N1)N A180010 [1,1,0,0,0,0|2,0,0]=4 687 B7R1.4 CN1C(=O)C=CN1 H133658 [1,1,0,0,0,0|2,0,0]=4 688 B7R1.4 CN1C(=O)C=CS1 M110103 [1,1,0,0,0,0|1,1,0]=4 689 B7R1.4 CN1C(=O)C=CS1 M132907 [1,1,0,0,0,0|1,1,0]=4 690 B9R1.1 C1=C(C=NC(=N1)CO)Br B175796 [0,1,0,0,0,1|1,1,0]=4 691 B9R1.1 C1=C(N=CC(=N1)Cl)CO C177296 [0,1,0,0,0,1|1,1,0]=4 692 B9R1.1 C1=CC(=CC=C1CBr)Br B171105 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.1 C1=CC(=CC=C1CBr)Cl C135867 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.1 C1=CC(=CC=C1CBr)F F120595 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.1 C1=CC(=CC=C1CBr)I I122909 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.1 C1=CC(=CC=C1CCl)Br B113785 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.1 C1=CC(=CC=C1CCl)Cl C106513 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.1 C1=CC(=CC=C1CCl)F F100905 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.1 C1=CC(=CC=C1CN)Br B133133 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.1 C1=CC(=CC=C1CN)Br B136595 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.1 C1=CC(=CC=C1CN)Cl C117222 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.1 C1=CC(=CC=C1CN)Cl C493514 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.1 C1=CC(=CC=C1CN)F F111212 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.1 C1=CC(=CC=C1CN)F F292633 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.1 C1=CC(=CC=C1CN)F F292646 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.1 C1=CC(=CC=C1CN)F F404486 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.1 C1=CC(=CC=C1CN)I I171122 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.1 C1=CC(=CC=C1CN)N A151636 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.1 C1=CC(=CC=C1CN)N A193875 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.1 C1=CC(=CC=C1CN)O A139192 [0,1,0,0,0,1|2,0,0]=4 711 B9R1.1 C1=CC(=CC=C1CN)O A187992 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.1 C1=CC(=CC=C1CO)Br B139372 [0,1,0,0,0,1|1,1,0]=4 713 B9R1.1 C1=CC(=CC=C1CO)Cl C109479 [0,1,0,0,0,1|1,1,0]=4 714 B9R1.1 C1=CC(=CC=C1CO)F F156598 [0,1,0,0,0,1|1,1,0]=4 715 B9R1.1 C1=CC(=CC=C1CO)I I138398 [0,1,0,0,0,1|1,1,0]=4 716 B9R1.1 C1=CC(=CC=C1CO)N A107272 [0,1,0,0,0,1|1,1,0]=4 717 B9R1.1 C1=CC(=CC=C1CO)O H107912 [0,1,0,0,0,1|1,1,0]=4 718 B9R1.1 C1=CC(=CC=C1CS)Br B101799 [0,1,0,0,0,1|1,0,0]=3 719 B9R1.1 C1=CC(=CC=C1CS)Cl C101789 [0,1,0,0,0,1|1,0,0]=3 720 B9R1.1 C1=CC(=CC=C1CS)F F101796 [0,1,0,0,0,1|1,0,0]=3 721 B9R1.1 C1=CC(=NC=C1Br)CN B182096 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.1 C1=CC(=NC=C1Br)CO B121986 [0,1,0,0,0,1|1,1,0]=4 723 B9R1.1 C1=CC(=NC=C1CBr)Cl B182268 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.1 C1=CC(=NC=C1CCl)Cl C106558 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.1 C1=CC(=NC=C1CN)Cl A113916 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.1 C1=CC(=NC=C1CO)Br B123090 [0,1,0,0,0,1|1,1,0]=4 727 B9R1.1 C1=CC(=NC=C1CO)Cl C154056 [0,1,0,0,0,1|1,1,0]=4 728 B9R1.1 C1=CC(=NC=C1CO)F F184294 [0,1,0,0,0,1|1,1,0]=4 729 B9R1.1 C1=CC(=NC=C1CO)N A136079 [0,1,0,0,0,1|1,1,0]=4 730 B9R1.1 C1=CC(=NC=C1F)CN A589490 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.1 C1=CC(=NC=C1F)CO F177498 [0,1,0,0,0,1|1,1,0]=4 732 B9R1.1 C1=C[N+](=CC=C1CO)[O-] P168730 [0,1,0,0,0,1|1,1,0]=4 733 B9R1.1 CC1=CC=C(C=C1)CBr M109534 [0,1,0,0,0,1|2,0,0]=4 734 B9R1.1 CC1=CC=C(C=C1)CCl A101683 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.1 CC1=CC=C(C=C1)CCl A164460 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.1 CC1=CC=C(C=C1)CN M158669 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.1 CC1=CC=C(C=C1)CO M113648 [0,1,0,0,0,1|1,1,0]=4 738 B9R1.1 CC1=CC=C(C=C1)CS M113646 [0,1,0,0,0,1|1,0,0]=3 739 B9R1.1 CC1=CN=C(C=C1)CN M589171 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.1 CC1=CN=C(C=N1)CN A151407 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.1 CC1=NC=C(C=C1)CO W136158 [0,1,0,0,0,1|1,1,0]=4 742 B9R1.1 CCC1=CC=C(C=C1)Br B101890 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.1 CCC1=CC=C(C=C1)Br B141181 [0,1,0,0,0,1|2,0,0]=4 744 B9R1.1 CCC1=CC=C(C=C1)C E123489 [0,1,0,0,0,1|2,0,0]=4 745 B9R1.1 CCC1=CC=C(C=C1)Cl C171229 [0,1,0,0,0,1|2,0,0]=4 746 B9R1.1 CCC1=CC=C(C=C1)I E189089 [0,1,0,0,0,1|2,0,0]=4 747 B9R1.1 CCC1=CC=C(C=C1)N E102230 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.1 CCC1=CC=C(C=C1)O E115497 [0,1,0,0,0,1|2,0,0]=4 749 B9R1.1 CCC1=CC=C(C=C1)S E156190 [0,1,0,0,0,1|2,0,0]=4 750 B9R1.1 CCC1=CN=C(C=C1)C E101695 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.1 CCC1=CN=C(C=C1)N E587963 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.1 CCC1=NC=C(N=C1)C E302421 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.2 C1=C(C=NC=C1Br)CO B124232 [0,1,0,0,0,1|1,1,0]=4 754 B9R1.2 C1=C(C=NC=C1Br)CO B494555 [0,1,0,0,0,1|1,1,0]=4 755 B9R1.2 C1=C(C=NC=C1Cl)CCl C177606 [0,1,0,0,0,1|2,0,0]=4 756 B9R1.2 C1=C(C=NC=C1Cl)CO C168770 [0,1,0,0,0,1|1,1,0]=4 757 B9R1.2 C1=C(N=C(C=N1)Cl)CO C586741 [0,1,0,0,0,1|1,1,0]=4 758 B9R1.2 C1=CC(=CC(=C1)Br)CBr B135903 [0,1,0,0,0,1|2,0,0]=4 759 B9R1.2 C1=CC(=CC(=C1)Br)CCl B139457 [0,1,0,0,0,1|2,0,0]=4 760 B9R1.2 C1=CC(=CC(=C1)Br)CN B131936 [0,1,0,0,0,1|2,0,0]=4 761 B9R1.2 C1=CC(=CC(=C1)Br)CN B136310 [0,1,0,0,0,1|2,0,0]=4 762 B9R1.2 C1=CC(=CC(=C1)Br)CO B103188 [0,1,0,0,0,1|1,1,0]=4 763 B9R1.2 C1=CC(=CC(=C1)Cl)CBr C106489 [0,1,0,0,0,1|2,0,0]=4 764 B9R1.2 C1=CC(=CC(=C1)Cl)CCl C189170 [0,1,0,0,0,1|2,0,0]=4 765 B9R1.2 C1=CC(=CC(=C1)Cl)CN C135515 [0,1,0,0,0,1|2,0,0]=4 766 B9R1.2 C1=CC(=CC(=C1)Cl)CO C106488 [0,1,0,0,0,1|1,1,0]=4 767 B9R1.2 C1=CC(=CC(=C1)F)CBr F107112 [0,1,0,0,0,1|2,0,0]=4 768 B9R1.2 C1=CC(=CC(=C1)F)CCl F123352 [0,1,0,0,0,1|2,0,0]=4 769 B9R1.2 C1=CC(=CC(=C1)F)CN F107964 [0,1,0,0,0,1|2,0,0]=4 770 B9R1.2 C1=CC(=CC(=C1)F)CO F156601 [0,1,0,0,0,1|1,1,0]=4 771 B9R1.2 C1=CC(=CC(=C1)I)CBr I133459 [0,1,0,0,0,1|2,0,0]=4 772 B9R1.2 C1=CC(=CC(=C1)I)CN I113819 [0,1,0,0,0,1|2,0,0]=4 773 B9R1.2 C1=CC(=CC(=C1)I)CN I468184 [0,1,0,0,0,1|2,0,0]=4 774 B9R1.2 C1=CC(=CC(=C1)I)CO I157442 [0,1,0,0,0,1|1,1,0]=4 775 B9R1.2 C1=CC(=CC(=C1)N)CN A151635 [0,1,0,0,0,1|2,0,0]=4 776 B9R1.2 C1=CC(=CC(=C1)N)CO A151125 [0,1,0,0,0,1|1,1,0]=4 777 B9R1.2 C1=CC(=CC(=C1)O)CN H407384 [0,1,0,0,0,1|2,0,0]=4 778 B9R1.2 C1=CC(=CC(=C1)O)CO H137304 [0,1,0,0,0,1|1,1,0]=4 779 B9R1.2 C1=CC(=CC(=C1)O)CO H501150 [0,1,0,0,0,1|1,1,0]=4 780 B9R1.2 C1=CC(=C[N+](=C1)[O-])CO M418531 [0,1,0,0,0,1|1,1,0]=4 781 B9R1.2 C1=CC(=NC(=C1)Br)CBr B186803 [0,1,0,0,0,1|2,0,0]=4 782 B9R1.2 C1=CC(=NC(=C1)Br)CN B191781 [0,1,0,0,0,1|2,0,0]=4 783 B9R1.2 C1=CC(=NC(=C1)Br)CN B195815 [0,1,0,0,0,1|2,0,0]=4 784 B9R1.2 C1=CC(=NC(=C1)Br)CO B115778 [0,1,0,0,0,1|1,1,0]=4 785 B9R1.2 C1=CC(=NC(=C1)Cl)CO C183811 [0,1,0,0,0,1|1,1,0]=4 786 B9R1.2 C1=CC(=NC(=C1)N)CO A120737 [0,1,0,0,0,1|1,1,0]=4 787 B9R1.2 C1=CN=C(C=C1Br)CN B177735 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.2 C1=CN=C(C=C1CCl)Cl C171686 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.2 C1=CN=C(C=C1CCl)N A586528 [0,1,0,0,0,1|2,0,0]=4 790 B9R1.2 C1=CN=C(C=C1CO)Br B124237 [0,1,0,0,0,1|1,1,0]=4 791 B9R1.2 C1=CN=C(C=C1CO)Cl C124765 [0,1,0,0,0,1|1,1,0]=4 792 B9R1.2 C1=CN=C(C=C1CO)N A120732 [0,1,0,0,0,1|1,1,0]=4 793 B9R1.2 C1=CN=C(C=C1Cl)CCl C189999 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.2 C1=CN=C(C=C1Cl)CN C175147 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.2 CC1=CC(=CC=C1)CBr B405679 [0,1,0,0,0,1|2,0,0]=4 796 B9R1.2 CC1=CC(=CC=C1)CCl M101677 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.2 CC1=CC(=CC=C1)CN M158668 [0,1,0,0,0,1|2,0,0]=4 798 B9R1.2 CC1=CC(=CC=C1)CO M157904 [0,1,0,0,0,1|1,1,0]=4 799 B9R1.2 CC1=CC(=CC=C1)CS M588442 [0,1,0,0,0,1|1,0,0]=3 800 B9R1.2 CC1=CC(=CN=C1)CCl C178714 [0,1,0,0,0,1|2,0,0]=4 801 B9R1.2 CC1=CC(=NC=C1)CN M586928 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.2 CC1=CC(=NC=C1)CN M588861 [0,1,0,0,0,1|2,0,0]=4 803 B9R1.2 CC1=NC(=CC=C1)CBr B589873 [0,1,0,0,0,1|2,0,0]=4 804 B9R1.2 CC1=NC(=CC=C1)CCl C405541 [0,1,0,0,0,1|2,0,0]=4 805 B9R1.2 CC1=NC(=CC=C1)CN M194459 [0,1,0,0,0,1|2,0,0]=4 806 B9R1.2 CC1=NC(=CC=C1)CO M115780 [0,1,0,0,0,1|1,1,0]=4 807 B9R1.2 CC1=NC=CC(=C1)CO M573438 [0,1,0,0,0,1|1,1,0]=4 808 B9R1.2 CCC1=CC(=CC=C1)Br B101889 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.2 CCC1=CC(=CC=C1)Cl C589677 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.2 CCC1=CC(=CC=C1)I E587883 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.2 CCC1=CC(=CC=C1)N E101873 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.2 CCC1=CC(=CC=C1)O E156226 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.2 CCC1=CC(=NC=C1)N A123353 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.2 CCC1=CC=CC(=C1)C E113367 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.2 CCC1=NC(=NC=C1)N E586542 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.6 C1=CC=C(C=C1)C(=O)S T161810 [0,1,0,0,0,1|1,0,1]=4 817 B9R1.6 C1=CC=C(C=C1)C(Br)Br D300412 [0,1,0,0,0,1|2,0,0]=4 818 B9R1.6 C1=CC=C(C=C1)C(F)F D404169 [0,1,0,0,0,1|2,0,0]=4 819 B9R1.6 C1=CC=NC(=C1)C(F)F D166109 [0,1,0,0,0,1|2,0,0]=4 820 B9R1.6 CC(C)C1=CC=CC=C1 I101049 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.6 CC(C)C1=CC=CC=C1 I101050 [0,1,0,0,0,1|2,0,0]=4 822 B9R1.6 CC(C)C1=CC=CC=C1 I101052 [0,1,0,0,0,1|2,0,0]=4 823 B9R1.6 CC(C)C1=CC=CC=N1 I177046 [0,1,0,0,0,1|2,0,0]=4 824 B9R1.6 CC(C)C1=CC=NC=C1 I136834 [0,1,0,0,0,1|2,0,0]=4 825 B9R1.6 CC(C1=CC=CC=C1)Br B104540 [0,1,0,0,0,1|2,0,0]=4 826 B9R1.6 CC(C1=CC=CC=C1)Cl C107586 [0,1,0,0,0,1|2,0,0]=4 827 B9R1.6 CC(C1=CC=CC=C1)N M105678 [0,1,0,0,0,1|2,0,0]=4 828 B9R1.6 CC(C1=CC=CC=C1)N M105679 [0,1,0,0,0,1|2,0,0]=4 829 B9R1.6 CC(C1=CC=CC=C1)N M106714 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.6 CC(C1=CC=CC=C1)N M141280 [0,1,0,0,0,1|2,0,0]=4 831 B9R1.6 CC(C1=CC=CC=C1)N R432669 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.6 CC(C1=CC=CC=C1)N R432670 [0,1,0,0,0,1|2,0,0]=4 833 B9R1.6 CC(C1=CC=CC=C1)N R432682 [0,1,0,0,0,1|2,0,0]=4 834 B9R1.6 CC(C1=CC=CC=C1)N S135224 [0,1,0,0,0,1|2,0,0]=4 835 B9R1.6 CC(C1=CC=CC=C1)N S432505 [0,1,0,0,0,1|2,0,0]=4 836 B9R1.6 CC(C1=CC=CC=C1)O P100878 [0,1,0,0,0,1|1,1,0]=4 837 B9R1.6 CC(C1=CC=CC=C1)O P103660 [0,1,0,0,0,1|1,1,0]=4 838 B9R1.6 CC(C1=CC=CC=C1)O P113820 [0,1,0,0,0,1|1,1,0]=4 839 B9R1.6 CC(C1=CC=CC=C1)O P165285 [0,1,0,0,0,1|1,1,0]=4 840 B9R1.6 CC(C1=CC=CC=N1)N P589080 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.6 CC(C1=CC=CC=N1)O P191765 [0,1,0,0,0,1|1,1,0]=4 842 B9R1.6 CC(C1=CC=CC=N1)O R404547 [0,1,0,0,0,1|1,1,0]=4 843 B9R1.6 CC(C1=CC=CC=N1)O S161029 [0,1,0,0,0,1|1,1,0]=4 844 B9R1.6 CC(C1=CC=NC=C1)N A467309 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.6 CC(C1=CC=NC=C1)O I170921 [0,1,0,0,0,1|1,1,0]=4 846 B9R1.6 CC(C1=CC=NC=C1)O R192493 [0,1,0,0,0,1|1,1,0]=4 847 B9R1.6 CC(C1=CN=CC=C1)N P193948 [0,1,0,0,0,1|2,0,0]=4 848 B9R1.8 C1=CC(=CN=C1)CC#N P137656 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.8 C1=CC(=CN=C1)CCN A151786 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.8 C1=CC(=CN=C1)CCN A169450 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.8 C1=CC=C(C=C1)CC=O P105078 [0,1,0,0,0,1|1,1,0]=4 852 B9R1.8 C1=CC=C(C=C1)CC=O P105080 [0,1,0,0,0,1|1,1,0]=4 853 B9R1.8 C1=CC=C(C=C1)CC=O P420978 [0,1,0,0,0,1|1,1,0]=4 854 B9R1.8 C1=CC=C(C=C1)CCBr B106895 [0,1,0,0,0,1|2,0,0]=4 855 B9R1.8 C1=CC=C(C=C1)CCCl C136679 [0,1,0,0,0,1|2,0,0]=4 856 B9R1.8 C1=CC=C(C=C1)CCI I138375 [0,1,0,0,0,1|2,0,0]=4 857 B9R1.8 C1=CC=C(C=C1)CCN P105641 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.8 C1=CC=C(C=C1)CCN P160641 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.8 C1=CC=C(C=C1)CCN P290339 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.8 C1=CC=C(C=C1)CCN P408003 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.8 C1=CC=C(C=C1)CCN P421867 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.8 C1=CC=C(C=C1)CCN P425250 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.8 C1=CC=C(C=C1)CCN P491880 [0,1,0,0,0,1|2,0,0]=4 864 B9R1.8 C1=CC=C(C=C1)CCN P493037 [0,1,0,0,0,1|2,0,0]=4 865 B9R1.8 C1=CC=C(C=C1)CCN P493125 [0,1,0,0,0,1|2,0,0]=4 866 B9R1.8 C1=CC=C(C=C1)CCO P108195 [0,1,0,0,0,1|1,1,0]=4 867 B9R1.8 C1=CC=C(C=C1)CCO P108197 [0,1,0,0,0,1|1,1,0]=4 868 B9R1.8 C1=CC=C(C=C1)CCO P424995 [0,1,0,0,0,1|1,1,0]=4 869 B9R1.8 C1=CC=C(C=C1)CCS P160530 [0,1,0,0,0,1|1,0,0]=3 870 B9R1.8 C1=CC=C(C=C1)CNN B122576 [0,1,0,0,0,1|2,0,0]=4 871 B9R1.8 C1=CC=C(C=C1)CNN B137990 [0,1,0,0,0,1|2,0,0]=4 872 B9R1.8 C1=CC=C(C=C1)CNN B464175 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.8 C1=CC=C(C=C1)CNO I137166 [0,1,0,0,0,1|1,1,0]=4 874 B9R1.8 C1=CC=C(C=C1)CON O159948 [0,1,0,0,0,1|1,1,0]=4 875 B9R1.8 C1=CC=C(C=C1)CON O189173 [0,1,0,0,0,1|1,1,0]=4 876 B9R1.8 C1=CC=C(C=C1)SCCl C101827 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.8 C1=CC=NC(=C1)CC#N P160781 [0,1,0,0,0,1|2,0,0]=4 878 B9R1.8 C1=CC=NC(=C1)CCBr B186289 [0,1,0,0,0,1|2,0,0]=4 879 B9R1.8 C1=CC=NC(=C1)CCN A151790 [0,1,0,0,0,1|2,0,0]=4 880 B9R1.8 C1=CC=NC(=C1)CCO P160791 [0,1,0,0,0,1|1,1,0]=4 881 B9R1.8 C1=CN=C(C=N1)CCS M103122 [0,1,0,0,0,1|1,0,0]=3 882 B9R1.8 C1=CN=CC=C1CC#N D302357 [0,1,0,0,0,1|2,0,0]=4 883 B9R1.8 C1=CN=CC=C1CC#N P304979 [0,1,0,0,0,1|2,0,0]=4 884 B9R1.8 C1=CN=CC=C1CCN A109738 [0,1,0,0,0,1|2,0,0]=4 885 B9R1.8 C1=CN=CC=C1CCS P134707 [0,1,0,0,0,1|1,0,0]=3 886 B9R1.8 C1=CN=CC=C1CCS P478833 [0,1,0,0,0,1|1,0,0]=3 887 B9R1.8 C=CCC1=CC=CC=C1 A101037 [0,1,0,0,0,1|2,0,0]=4 888 B9R1.8 CCCC1=CC=CC=C1 P104621 [0,1,0,0,0,1|2,0,0]=4 889 B9R1.8 CCCC1=CC=CC=C1 P104624 [0,1,0,0,0,1|2,0,0]=4 890 B9R1.8 CCCC1=CC=CC=C1 P104625 [0,1,0,0,0,1|2,0,0]=4 891 B9R1.8 CCCC1=CC=CC=C1 P104626 [0,1,0,0,0,1|2,0,0]=4 892 B9R1.8 CCCC1=CC=CC=C1 P128158 [0,1,0,0,0,1|2,0,0]=4 893 B9R1.8 CCCC1=CC=CC=N1 P160637 [0,1,0,0,0,1|2,0,0]=4 894 B9R1.8 CCCC1=CC=NC=C1 P160632 [0,1,0,0,0,1|2,0,0]=4 895 B9R1.8 CCCC1=NC=CN=C1 P132679 [0,1,0,0,0,1|2,0,0]=4 896 B9R1.8 CCNC1=CC=CC=C1 E103974 [0,1,0,0,0,1|2,0,0]=4 897 B9R1.8 CCOC1=CC=CC=C1 E108654 [0,1,0,0,0,1|2,0,0]=4 898 B9R1.8 CCOC1=CC=CC=C1 E108655 [0,1,0,0,0,1|2,0,0]=4 899 B9R1.8 CCOC1=CC=CC=N1 E137467 [0,1,0,0,0,1|2,0,0]=4 900 B9R1.8 CCOC1=NC=CN=C1 E136587 [0,1,0,0,0,1|2,0,0]=4 901 B9R1.8 CCSC1=CC=CC=C1 E101809 [0,1,0,0,0,1|2,0,0]=4 902 B9R1.8 CNCC1=CC=CC=C1 B106919 [0,1,0,0,0,1|2,0,0]=4 903 B9R1.8 CNCC1=CC=CC=N1 M168526 [0,1,0,0,0,1|2,0,0]=4 904 B9R1.8 CNCC1=CN=CC=C1 M138441 [0,1,0,0,0,1|2,0,0]=4 905 B9R1.8 COCC1=CC=CC=C1 B103161 [0,1,0,0,0,1|1,1,0]=4 906 B9R1.8 COCC1=CC=CC=C1 B591251 [0,1,0,0,0,1|1,1,0]=4 907 B9R1.8 CSCC1=CC=CC=C1 B152510 [0,1,0,0,0,1|1,0,0]=3 908 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B153177 [0,1,0,0,0,1|2,0,0]=4 909 B9R1.15 C1=CC(=C(N=C1)Br)CBr B123443 [0,1,0,0,0,1|2,0,0]=4 910 B9R1.15 C1=CC(=C(N=C1)Br)CO B151848 [0,1,0,0,0,1|1,1,0]=4 911 B9R1.15 C1=CC(=C(N=C1)CCl)Br B180455 [0,1,0,0,0,1|2,0,0]=4 912 B9R1.15 C1=CC(=C(N=C1)CO)Br B184967 [0,1,0,0,0,1|1,1,0]=4 913 B9R1.15 C1=CC(=C(N=C1)CO)F F176083 [0,1,0,0,0,1|1,1,0]=4 914 B9R1.15 C1=CC(=C(N=C1)Cl)CO C154080 [0,1,0,0,0,1|1,1,0]=4 915 B9R1.15 C1=CC(=C(N=C1)N)CO A119400 [0,1,0,0,0,1|1,1,0]=4 916 B9R1.15 C1=CC=C(C(=C1)CBr)Br B124758 [0,1,0,0,0,1|2,0,0]=4 917 B9R1.15 C1=CC=C(C(=C1)CBr)Cl C135217 [0,1,0,0,0,1|2,0,0]=4 918 B9R1.15 C1=CC=C(C(=C1)CBr)F F107111 [0,1,0,0,0,1|2,0,0]=4 919 B9R1.15 C1=CC=C(C(=C1)CBr)I I101707 [0,1,0,0,0,1|2,0,0]=4 920 B9R1.15 C1=CC=C(C(=C1)CBr)I I131028 [0,1,0,0,0,1|2,0,0]=4 921 B9R1.15 C1=CC=C(C(=C1)CCl)Cl C136424 [0,1,0,0,0,1|2,0,0]=4 922 B9R1.15 C1=CC=C(C(=C1)CCl)F F104448 [0,1,0,0,0,1|2,0,0]=4 923 B9R1.15 C1=CC=C(C(=C1)CCl)I I472524 [0,1,0,0,0,1|2,0,0]=4 924 B9R1.15 C1=CC=C(C(=C1)CN)Br B136382 [0,1,0,0,0,1|2,0,0]=4 925 B9R1.15 C1=CC=C(C(=C1)CN)Br B184269 [0,1,0,0,0,1|2,0,0]=4 926 B9R1.15 C1=CC=C(C(=C1)CN)Cl C100661 [0,1,0,0,0,1|2,0,0]=4 927 B9R1.15 C1=CC=C(C(=C1)CN)Cl C298505 [0,1,0,0,0,1|2,0,0]=4 928 B9R1.15 C1=CC=C(C(=C1)CN)F F122768 [0,1,0,0,0,1|2,0,0]=4 929 B9R1.15 C1=CC=C(C(=C1)CN)O A195905 [0,1,0,0,0,1|2,0,0]=4 930 B9R1.15 C1=CC=C(C(=C1)CO)Br B135325 [0,1,0,0,0,1|1,1,0]=4 931 B9R1.15 C1=CC=C(C(=C1)CO)Cl C101747 [0,1,0,0,0,1|1,1,0]=4 932 B9R1.15 C1=CC=C(C(=C1)CO)F F156600 [0,1,0,0,0,1|1,1,0]=4 933 B9R1.15 C1=CC=C(C(=C1)CO)I I157441 [0,1,0,0,0,1|1,1,0]=4 934 B9R1.15 C1=CC=C(C(=C1)CO)N A151122 [0,1,0,0,0,1|1,1,0]=4 935 B9R1.15 C1=CC=C(C(=C1)CO)O H106789 [0,1,0,0,0,1|1,1,0]=4 936 B9R1.15 C1=CC=C(C(=C1)CO)O H426756 [0,1,0,0,0,1|1,1,0]=4 937 B9R1.15 C1=CC=C(C(=C1)CS)Br B101794 [0,1,0,0,0,1|1,0,0]=3 938 B9R1.15 C1=CC=C(C(=C1)CS)Cl C101788 [0,1,0,0,0,1|1,0,0]=3 939 B9R1.15 C1=CN=CC(=C1CO)Br B132477 [0,1,0,0,0,1|1,1,0]=4 940 B9R1.15 C1=CN=CC(=C1CO)F F177786 [0,1,0,0,0,1|1,1,0]=4 941 B9R1.15 C1=CN=CC(=C1CO)N A167487 [0,1,0,0,0,1|1,1,0]=4 942 B9R1.15 C1=CN=CC(=C1Cl)CO C587861 [0,1,0,0,0,1|1,1,0]=4 943 B9R1.15 C1=CN=CC(=C1N)CO A167140 [0,1,0,0,0,1|1,1,0]=4 944 B9R1.15 C1=CNC(=O)C(=C1)CO H176459 [0,1,0,0,0,1|1,1,0]=4 945 B9R1.15 CC1=C(C=CC=N1)CO W136400 [0,1,0,0,0,1|1,1,0]=4 946 B9R1.15 CC1=C(N=CC=C1)CN A482619 [0,1,0,0,0,1|2,0,0]=4 947 B9R1.15 CC1=CC=CC=C1CBr M139409 [0,1,0,0,0,1|2,0,0]=4 948 B9R1.15 CC1=CC=CC=C1CCl M101671 [0,1,0,0,0,1|2,0,0]=4 949 B9R1.15 CC1=CC=CC=C1CN M158667 [0,1,0,0,0,1|2,0,0]=4 950 B9R1.15 CC1=CC=CC=C1CO M157901 [0,1,0,0,0,1|1,1,0]=4 951 B9R1.15 CC1=CC=CC=C1CS M300495 [0,1,0,0,0,1|1,0,0]=3 952 B9R1.15 CC1=NC=CN=C1CO M174600 [0,1,0,0,0,1|1,1,0]=4 953 B9R1.15 CCC1=CC=CC=C1Br B138432 [0,1,0,0,0,1|2,0,0]=4 954 B9R1.15 CCC1=CC=CC=C1C E140581 [0,1,0,0,0,1|2,0,0]=4 955 B9R1.15 CCC1=CC=CC=C1I E189052 [0,1,0,0,0,1|2,0,0]=4 956 B9R1.15 CCC1=CC=CC=C1N E106226 [0,1,0,0,0,1|2,0,0]=4 957 B9R1.15 CCC1=CC=CC=C1O E156225 [0,1,0,0,0,1|2,0,0]=4 958 B9R1.15 CCC1=CC=CC=C1S E101792 [0,1,0,0,0,1|2,0,0]=4 959 B9R1.15 CCC1=NC=CN=C1C E105685 [0,1,0,0,0,1|2,0,0]=4 960 B9R1.15 CCC1=NC=NC=C1F E173725 [0,1,0,0,0,1|2,0,0]=4 961 B9R1.7 C1=C(SC(=C1)Br)CC#N B194740 [0,2,0,0,0,0|1,1,0]=4 962 B9R1.7 C1=C(SC=C1Br)CC#N B330813 [0,2,0,0,0,0|1,1,0]=4 963 B9R1.21 C1=C(OC(=C1)C#N)C#N D154959 [0,2,0,0,0,0|1,0,1]=4 964 B9R1.21 C1=C(OC(=C1)C=O)C=O D134445 [0,2,0,0,0,0|0,1,1]=4 965 B9R1.21 C1=C(OC(=C1)C=O)CCl C339618 [0,2,0,0,0,0|1,0,0]=3 966 B9R1.21 C1=C(OC(=C1)C=O)CO H106322 [0,2,0,0,0,0|0,1,0]=3 967 B9R1.21 C1=C(OC(=C1)C=O)CO H106323 [0,2,0,0,0,0|0,1,0]=3 968 B9R1.21 C1=C(OC(=C1)C=O)CO H106324 [0,2,0,0,0,0|0,1,0]=3 969 B9R1.21 C1=C(OC(=C1)C=O)CO H301743 [0,2,0,0,0,0|0,1,0]=3 970 B9R1.21 C1=C(OC(=C1)C=O)CO H344404 [0,2,0,0,0,0|0,1,0]=3 971 B9R1.21 C1=C(OC(=C1)C=O)CO H425395 [0,2,0,0,0,0|0,1,0]=3 972 B9R1.21 C1=C(OC(=C1)CN)CN B355365 [0,2,0,0,0,0|1,0,0]=3 973 B9R1.21 C1=C(OC(=C1)CO)CO F182365 [0,2,0,0,0,0|0,1,0]=3 974 B9R1.21 C1=C(SC(=C1)C#N)CBr B190611 [0,2,0,0,0,0|1,1,0]=4 975 B9R1.22 C1=C(C(=CBr)OC1=O)Br F287587 [0,2,0,0,0,0|1,0,1]=4 976 B9R1.22 CC1=C(OC(=O)O1)CCl C102025 [0,2,0,0,0,0|2,0,0]=4 977 B9R1.22 CC1=C(OC(=O)O1)CO H195820 [0,2,0,0,0,0|1,1,0]=4 978 B9R1.35 C1=C(OC(=C1)Br)C(=O)O B139036 [0,2,0,0,0,0|0,1,1]=4 979 B9R1.35 C1=C(OC(=C1)Cl)C(=O)O C480705 [0,2,0,0,0,0|0,1,1]=4 980 B9R1.35 C1=C(OC=C1Br)C(=O)O B588799 [0,2,0,0,0,0|0,1,1]=4 981 B9R1.35 CC1=CC=C(O1)C(=O)C A113375 [0,2,0,0,0,0|0,1,1]=4 982 B9R1.11 C1=COC(=C1)C(=O)CO F339585 [0,2,0,0,0,0|0,1,0]=3 983 B9R1.11 C1=COC(=C1)C(=O)NN F133378 [0,2,0,0,0,0|0,1,1]=4 984 B9R1.11 C1=CSC(=C1)C(=O)CBr B165665 [0,2,0,0,0,0|1,1,0]=4 985 B9R1.11 CCC(=O)C1=CC=CO1 P339593 [0,2,0,0,0,0|1,0,0]=3 986 B9R1.11 CCC(=O)C1=CC=CS1 P160666 [0,2,0,0,0,0|1,1,0]=4 987 B9R1.11 COC(=O)C1=CC=CO1 M103048 [0,2,0,0,0,0|0,1,1]=4 988 B9R1.11 CSC(=O)C1=CC=CO1 S161299 [0,2,0,0,0,0|0,0,1]=3 989 B9R1.19 CC(C)(C)C1=CC=CO1 T339365 [0,2,0,0,0,0|1,0,0]=3 990 B9R1.41 CC1=C(OC=C1)C(=O)Cl M168768 [0,2,0,0,0,0|0,1,1]=4 991 B9R1.41 CC1=C(OC=C1)C(=O)O M158537 [0,2,0,0,0,0|0,1,1]=4 992 B9R1.12 C1=COC(=C1)C=CC=O F103082 [0,2,0,0,0,0|0,1,1]=4 993 B9R1.12 C1=COC(=C1)CN=C=O B301379 [0,2,0,0,0,0|0,1,0]=3 994 B9R1.12 C1=COC(=C1)CSC=O S161330 [0,2,0,0,0,0|0,0,0]=2 995 B9R1.12 CCCCC1=CC=CO1 B152372 [0,2,0,0,0,0|1,0,0]=3 996 B9R1.12 CCCCC1=CC=CS1 N189024 [0,2,0,0,0,0|1,1,0]=4 997 B9R1.12 CSSCC1=CC=CO1 F103101 [0,2,0,0,0,0|0,0,0]=2 998 B9R1.13 C1=CSC(=C1)CC(=O)Cl T107389 [0,2,0,0,0,0|0,2,0]=4 999 B9R1.13 C1=CSC(=C1)CC(=O)N T338182 [0,2,0,0,0,0|0,2,0]=4 1000 B9R1.13 C1=CSC(=C1)CC(=O)O T113850 [0,2,0,0,0,0|0,2,0]=4 1001 B9R1.33 CCOC1=C(N=CO1)C E193596 [0,2,0,0,0,0|2,0,0]=4 1002 B9R1.14 COC1=C(OC=C1)C=O M303443 [0,2,0,0,0,0|0,1,1]=4 1003 B7R1.3 C1=CC(=CN=C1)O H106342 [0,0,1,1,0,0|1,0,1]=4 1004 B7R1.3 C1=CC(=CN=C1)O H434905 [0,0,1,1,0,0|1,0,1]=4 1005 B7R1.3 C1=CC=C(C=C1)O P100761 [0,0,1,1,0,0|1,0,1]=4 1006 B7R1.3 C1=CC=C(C=C1)O P100762 [0,0,1,1,0,0|1,0,1]=4 1007 B7R1.3 C1=CC=C(C=C1)O P100765 [0,0,1,1,0,0|1,0,1]=4 1008 B7R1.3 C1=CC=C(C=C1)O P100767 [0,0,1,1,0,0|1,0,1]=4 1009 B7R1.3 C1=CC=C(C=C1)O P100769 [0,0,1,1,0,0|1,0,1]=4 1010 B7R1.3 C1=CC=C(C=C1)O P100770 [0,0,1,1,0,0|1,0,1]=4 1011 B7R1.3 C1=CC=C(C=C1)O P121281 [0,0,1,1,0,0|1,0,1]=4 1012 B7R1.3 C1=CC=C(C=C1)O P128316 [0,0,1,1,0,0|1,0,1]=4 1013 B7R1.3 C1=CC=C(C=C1)O P397150 [0,0,1,1,0,0|1,0,1]=4 1014 B7R1.3 C1=CC=C(C=C1)O P472012 [0,0,1,1,0,0|1,0,1]=4 1015 B7R1.3 Oc1ccccc1 BWY272999 [0,0,1,1,0,0|1,0,1]=4 1016 B7R1.3 Oc1ccccc1 BWY273026 [0,0,1,1,0,0|1,0,1]=4 1017 B7R1.3 Oc1ccccc1 P100768 [0,0,1,1,0,0|1,0,1]=4 1018 B7R1.3 Oc1ccccc1 P117348 [0,0,1,1,0,0|1,0,1]=4 1019 B7R1.24 C1C=CC=CC=C1 C135183 [0,0,1,1,0,0|2,0,0]=4 1020 B7R1.24 C1C=CC=CC=C1 C282631 [0,0,1,1,0,0|2,0,0]=4 1021 B9R2.50 C1CC2=CC=CC=C21 B107638 [0,0,0,1,0,1|2,0,0]=4 1022 B9R2.3 C1=CSC2=C1SC=C2 T119992 [0,1,0,1,0,0|0,1,1]=4