0 B8R1.1 CC1=CC(CN)=NO1 094980 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC(CN)=NO1 358781 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 CC1=CC(CO)=NO1 017477 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.1 CC1=CC=C(C=O)O1 216646 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.1 CC1=CC=C(C=O)S1 045074 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.1 CC1=CC=C(CN)O1 225706 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.1 CC1=CC=C(CO)O1 013649 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.1 CC1=CC=C(CO)S1 362444 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.1 CC1=CSC(C#N)=C1 023897 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.1 CC1=CSC(C=O)=N1 065270 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.1 CC1=CSC(CN)=C1 023898 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.1 CC1=NC(C#N)=CS1 017216 [0,0,0,0,0,0|3,0,1]=4 12 B8R1.1 CC1=NC(CCl)=CS1 016133 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 CC1=NNC(CN)=C1 058640 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.1 CC1=NOC(CCl)=N1 219873 [0,0,0,0,0,0|2,1,0]=3 15 B8R1.1 CCC1=NC=C(C)N1 403581 [0,0,0,0,0,0|1,0,1]=2 16 B8R1.1 CCC1=NN=C(N)O1 009901 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.1 CCC1=NSC(N)=N1 009733 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.1 CCN1C=C[N+](C)=C1 245878 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.1 CN1C=CC(CN)=N1 030355 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.1 COC1=NC(N)=NS1 009730 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 COC1=NSC(N)=N1 009665 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.1 CSC1=NC(Br)=NS1 024023 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.1 CSC1=NC(Cl)=NS1 024022 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.1 CSC1=NC(N)=NN1 030116 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 CSC1=NC(N)=NS1 009668 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.1 CSC1=NC(O)=NS1 005951 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.1 N#CC1=CC(Br)=CS1 043667 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.1 NCC1=CC(Br)=CS1 091824 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.1 O=CC1=CC(Br)=CS1 019228 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.1 O=CC1=NC(Br)=CS1 016124 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.1 C(=O)C1=CC=CS1 003419 [1,0,0,0,0,0|2,0,1]=4 32 B7R1.1 CCC1=CC=CN1 002567 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.1 CCC1=CC=CS1 001177 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.1 CCC1=CSC=C1 006141 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 CCC1=NC=CN1 018684 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.1 CCC1=NCCO1 336609 [1,0,0,0,0,0|0,1,2]=4 37 B7R1.1 CCN1C=CC=C1 002566 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 CCN1C=CC=N1 068645 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.1 COC1=NC=CS1 009621 [1,0,0,0,0,0|1,0,0]=2 40 B7R1.1 CSC1=NC=CS1 009622 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.1 CSC1=NN=CN1 009887 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 ClCC1=CNC=N1 016135 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 ClCC1=CSC=N1 013925 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 ClCC1=NC=CN1 023425 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.1 N#CC1=CC=CS1 008056 [1,0,0,0,0,0|2,0,1]=4 46 B7R1.1 N#CC1=NC=CN1 234256 [1,0,0,0,0,0|2,0,1]=4 47 B7R1.1 NCC1=CC=CO1 358202 [1,0,0,0,0,0|2,1,0]=4 48 B7R1.1 NCC1=CC=CS1 092186 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.1 NCC1=COC=N1 219245 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 NCC1=NC=CS1 013114 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.1 NCC1=NNC=C1 043021 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.1 O=CC1=NC=CN1 011781 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.1 O=CC1=NC=CS1 046294 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.1 OCC1=CC=CO1 143000 [1,0,0,0,0,0|2,1,0]=4 55 B7R1.1 OCC1=CC=CS1 208652 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.1 OCC1=CN=CS1 016175 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 OCC1=CNC=N1 016121 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 OCC1=CNC=N1 067734 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.1 OCC1=CSC=N1 016174 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.1 OCC1=NC=CS1 067720 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.1 OCN1C=CC=N1 078295 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.1 SCC1=CC=CO1 002796 [1,0,0,0,0,0|2,1,0]=4 63 B7R1.1 SCC1=CC=CS1 104865 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.2 BrC1=CSC(Br)=N1 016251 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.2 CC1=CC(Br)=CS1 022016 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.2 CC1=CC(C)=NN1 037857 [1,0,0,0,0,0|3,0,0]=4 67 B7R1.2 CC1=CC(C)=NO1 023218 [1,0,0,0,0,0|2,1,0]=4 68 B7R1.2 CC1=CC=C(Br)S1 024230 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.2 CC1=CC=C(C)N1 236653 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.2 CC1=CC=C(C)S1 002791 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.2 CC1=CC=C(I)S1 002582 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 CC1=CCC(=O)O1 098871 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.2 CC1=CCC(=O)O1 107050 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.2 CC1=CN=C(Br)S1 067363 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.2 CC1=CN=C(N)S1 011366 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.2 CC1=CNC(Br)=N1 222056 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.2 CC1=CNC(C)=N1 078094 [1,0,0,0,0,0|1,0,0]=2 78 B7R1.2 CC1=COC(N)=N1 016110 [1,0,0,0,0,0|1,1,0]=3 79 B7R1.2 CC1=CSC(Br)=N1 016134 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.2 CC1=CSC(C)=N1 002760 [1,0,0,0,0,0|0,0,0]=1 81 B7R1.2 CC1=CSC(N)=N1 023295 [1,0,0,0,0,0|1,0,0]=2 82 B7R1.2 CC1=NC(Br)=CN1 209279 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.2 CC1=NC=C(I)N1 077607 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.2 CC1=NN(C)C=C1 038245 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.2 CC1=NNC(C)=N1 233300 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.2 CC1=NSC(N)=C1 021671 [1,0,0,0,0,0|3,0,0]=4 87 B7R1.2 CC1=NSC(N)=N1 009666 [1,0,0,0,0,0|2,0,0]=3 88 B7R1.2 CN1C=CC(Br)=N1 093190 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.2 CN1C=CC(Cl)=N1 044766 [1,0,0,0,0,0|3,0,0]=4 90 B7R1.2 CN1C=CC(I)=N1 047530 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.2 CN1C=CC(N)=N1 025069 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.2 ClC1=CSC(Cl)=N1 079363 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.2 ClC1=NC(Br)=NS1 005949 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.2 ClC1=NSC(Cl)=N1 005950 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.2 NC1=CSC(N)=N1 223229 [1,0,0,0,0,0|2,0,0]=3 96 B7R1.2 NC1=NC(Br)=CS1 076229 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.2 NC1=NC(O)=CS1 319245 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.21 CCN1C=CC(CN)=N1 030479 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.21 OCC1=CC=C(CO)O1 079832 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.22 CC1=CC(C)=NN1CO 031637 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.22 CCN1N=C(C)C=C1N 030192 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.22 CCN1N=C(C)CC1=O 180064 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.23 CC1=C(C)SC(C=O)=C1 024276 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.23 CC1=C(C)SC(C=O)=N1 215655 [0,1,0,0,0,0|1,0,1]=3 105 B9R1.23 CCC1=NC(C)=C(C)S1 009626 [0,1,0,0,0,0|0,0,0]=1 106 B9R1.23 CCN1C=C(Br)C(C)=N1 026156 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.35 CC(=O)C1=CC=C(C)S1 001262 [0,1,0,0,0,0|2,0,1]=4 108 B9R1.35 CC(C)C1=NSC(N)=N1 009664 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.35 CC1=CSC(B(O)O)=C1 011050 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.35 CC1=CSC(C(=O)O)=C1 023894 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.35 CC1=CSC(C(C)C)=N1 009624 [0,1,0,0,0,0|0,0,0]=1 112 B9R1.35 CC1=CSC(C(N)=O)=C1 023896 [0,1,0,0,0,0|2,0,1]=4 113 B9R1.35 FC(F)C1=CC(Br)=CS1 024153 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.3 C\C=C\CC(=O)OC 099391 [0,0,1,0,0,0|3,0,0]=4 115 B9R1.1 CC1=CC=C(CBr)C=C1 227793 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.1 CC1=CC=C(CCl)C=C1 088360 [0,0,0,0,0,1|3,0,0]=4 117 B9R1.1 CC1=CC=C(CN)C=C1 078842 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.1 CC1=CC=C(CO)C=C1 216000 [0,0,0,0,0,1|3,0,0]=4 119 B9R1.1 CC1=CN=C(C#N)C=C1 024687 [0,0,0,0,0,1|2,0,1]=4 120 B9R1.1 CC1=CN=C(C#N)C=N1 020122 [0,0,0,0,0,1|2,0,1]=4 121 B9R1.1 CC1=CN=C(CN)C=N1 009009 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.1 CC1=NC=C(C#N)C=C1 003363 [0,0,0,0,0,1|2,0,1]=4 123 B9R1.1 CCC1=CC=C(Br)C=C1 001119 [0,0,0,0,0,1|3,0,0]=4 124 B9R1.1 CCC1=CC=C(C)C=C1 235264 [0,0,0,0,0,1|2,0,0]=3 125 B9R1.1 CCC1=CC=C(Cl)C=C1 001266 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.1 CCC1=CC=C(F)C=C1 018681 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.1 CCC1=CC=C(I)C=C1 006113 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.1 CCC1=CC=C(N)C=C1 099641 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.1 CCC1=CC=C(O)C=C1 241020 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.1 CCC1=CN=C(C)C=C1 222089 [0,0,0,0,0,1|1,0,0]=2 131 B9R1.1 CCC1=CN=C(Cl)N=C1 045001 [0,0,0,0,0,1|3,0,0]=4 132 B9R1.1 CCC1=NC=C(Br)C=C1 077907 [0,0,0,0,0,1|2,0,0]=3 133 B9R1.1 CCC1=NC=C(C)N=C1 225679 [0,0,0,0,0,1|1,0,0]=2 134 B9R1.1 CNC1=CC=C(C)C=C1 009655 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.1 CNC1=CC=C(Cl)N=N1 038616 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.1 CNC1=NC=C(Br)C=C1 078710 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.1 CNC1=NC=C(Br)C=N1 210036 [0,0,0,0,0,1|3,0,0]=4 138 B9R1.1 CNC1=NC=C(Cl)C=C1 075169 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.1 COC1=CC=C(C)C=C1 239388 [0,0,0,0,0,1|3,0,0]=4 140 B9R1.1 COC1=CC=C(Cl)N=N1 038611 [0,0,0,0,0,1|3,0,0]=4 141 B9R1.1 COC1=CN=C(Br)C=C1 076484 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.1 COC1=CN=C(N)C=C1 036797 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.1 COC1=NC=C(Br)C=C1 023910 [0,0,0,0,0,1|3,0,0]=4 144 B9R1.1 COC1=NC=C(Br)C=N1 016200 [0,0,0,0,0,1|3,0,0]=4 145 B9R1.1 COC1=NC=C(Cl)C=C1 035854 [0,0,0,0,0,1|3,0,0]=4 146 B9R1.1 COC1=NC=C(F)C=C1 033260 [0,0,0,0,0,1|3,0,0]=4 147 B9R1.1 COC1=NC=C(N)C=C1 024176 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.1 COC1=NC=C(O)C=C1 076684 [0,0,0,0,0,1|3,0,0]=4 149 B9R1.1 COC1=NN=C(N)C=C1 036793 [0,0,0,0,0,1|3,0,0]=4 150 B9R1.1 CSC1=CC=C(C)C=C1 001781 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.1 CSC1=NC=C(Br)C=N1 076456 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.1 ClCC1=CN=C(Cl)C=C1 019460 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.1 NC1=CC=C(CO)C=N1 077326 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.1 NC1=CC=C(CO)C=N1 104746 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.1 NCC1=CN=C(Cl)C=C1 065444 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.1 OCC1=CN=C(Cl)C=C1 067692 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.1 OCC1=NC=C(Br)C=C1 036351 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.2 CC1=CC=CC(C#N)=N1 077340 [0,0,0,0,0,1|2,0,1]=4 159 B9R1.2 CC1=CC=CC(C=O)=N1 021900 [0,0,0,0,0,1|2,0,1]=4 160 B9R1.2 CC1=CC=CC(CBr)=C1 067812 [0,0,0,0,0,1|3,0,0]=4 161 B9R1.2 CC1=CC=CC(CN)=C1 008878 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.2 CC1=CC=CC(CO)=C1 102453 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.2 CC1=CC=CC(CO)=N1 092614 [0,0,0,0,0,1|2,0,0]=3 164 B9R1.2 CC1=NC(NN)=CC=C1 038575 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.2 CCC1=CC(I)=CC=C1 037712 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.2 CCC1=CC=CC(Br)=C1 024168 [0,0,0,0,0,1|3,0,0]=4 167 B9R1.2 CCC1=CC=CC(N)=C1 043276 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.2 CCC1=CC=CC(N)=N1 095025 [0,0,0,0,0,1|2,0,0]=3 169 B9R1.2 CNC1=CN=CC(Cl)=N1 043527 [0,0,0,0,0,1|3,0,0]=4 170 B9R1.2 COC1=CC=CC(C)=C1 342147 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.2 COC1=CC=CC(N)=N1 043829 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.2 COC1=CC=NC(Cl)=N1 067422 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.2 COC1=NC(Br)=CC=C1 045063 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.2 COC1=NC(C)=CC=C1 040046 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.2 COC1=NC(Cl)=CC=C1 045005 [0,0,0,0,0,1|3,0,0]=4 176 B9R1.2 COC1=NC=CC(Br)=N1 078127 [0,0,0,0,0,1|3,0,0]=4 177 B9R1.2 COC1=NC=CC(Cl)=N1 078129 [0,0,0,0,0,1|3,0,0]=4 178 B9R1.2 CSC1=CC(C)=CC=C1 019356 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.2 CSC1=NC=CC(Cl)=N1 049172 [0,0,0,0,0,1|3,0,0]=4 180 B9R1.2 CSC1=NC=CC(O)=N1 076764 [0,0,0,0,0,1|3,0,0]=4 181 B9R1.2 NCC1=NC(Br)=CC=C1 215138 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.2 OCC1=NC(Cl)=CC=C1 067703 [0,0,0,0,0,1|3,0,0]=4 183 B6R0.1 C=COC(=O)CC 005111 [1,0,1,0,0,0|1,1,0]=4 184 B6R0.1 CC\C=C(/C)C=O 103302 [1,0,1,0,0,0|0,1,0]=3 185 B6R0.1 C\C=C\C(=O)OC 236942 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.2 C=C(C)C=C(C)C 104537 [1,0,1,0,0,0|2,0,0]=4 187 B6R0.2 C=C(C)OC(C)=O 101993 [1,0,1,0,0,0|1,1,0]=4 188 B6R0.4 C(CC)=CC(=O)O 001396 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.4 C=C(C)CNCC 098963 [1,0,1,0,0,0|2,0,0]=4 190 B6R0.4 CO\C=C\C(C)=O 099154 [1,0,1,0,0,0|2,0,0]=4 191 B6R1.2 BrC1=CC=CS1 001055 [2,0,0,0,0,0|2,0,0]=4 192 B6R1.2 BrC1=CNC=N1 047684 [2,0,0,0,0,0|2,0,0]=4 193 B6R1.2 BrC1=CSC=C1 003082 [2,0,0,0,0,0|2,0,0]=4 194 B6R1.2 BrC1=CSC=N1 016178 [2,0,0,0,0,0|1,0,0]=3 195 B6R1.2 BrC1=NC=CS1 021802 [2,0,0,0,0,0|1,0,0]=3 196 B6R1.2 BrC1=NN=CS1 046500 [2,0,0,0,0,0|2,0,0]=4 197 B6R1.2 CC1=CC=CN1 214609 [2,0,0,0,0,0|1,0,1]=4 198 B6R1.2 CC1=CC=CO1 463359 [2,0,0,0,0,0|1,1,0]=4 199 B6R1.2 CC1=CC=CS1 001209 [2,0,0,0,0,0|1,0,0]=3 200 B6R1.2 CC1=CNC=N1 078608 [2,0,0,0,0,0|1,0,0]=3 201 B6R1.2 CC1=COC=N1 224056 [2,0,0,0,0,0|0,1,0]=3 202 B6R1.2 CC1=CSC=C1 003448 [2,0,0,0,0,0|1,0,0]=3 203 B6R1.2 CC1=CSC=N1 002765 [2,0,0,0,0,0|0,0,0]=2 204 B6R1.2 CC1=NC=CN1 157400 [2,0,0,0,0,0|1,0,0]=3 205 B6R1.2 CC1=NNC=C1 033183 [2,0,0,0,0,0|2,0,0]=4 206 B6R1.2 CN1C=CC=N1 046854 [2,0,0,0,0,0|2,0,0]=4 207 B6R1.2 CN1C=NC=N1 043664 [2,0,0,0,0,0|2,0,0]=4 208 B6R1.2 ClC1=CC=CS1 002954 [2,0,0,0,0,0|2,0,0]=4 209 B6R1.2 ClC1=CSC=C1 001747 [2,0,0,0,0,0|2,0,0]=4 210 B6R1.2 IC1=CC=CS1 001058 [2,0,0,0,0,0|2,0,0]=4 211 B6R1.2 IC1=CNC=N1 067394 [2,0,0,0,0,0|2,0,0]=4 212 B6R1.2 IC1=CSC=C1 079489 [2,0,0,0,0,0|2,0,0]=4 213 B6R1.2 NC1=CSC=C1 049735 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 NC1=NC=CN1 013113 [2,0,0,0,0,0|2,0,0]=4 215 B6R1.2 NC1=NC=CN1 076511 [2,0,0,0,0,0|2,0,0]=4 216 B6R1.2 NC1=NC=CO1 043635 [2,0,0,0,0,0|1,1,0]=4 217 B6R1.2 NC1=NC=CS1 078568 [2,0,0,0,0,0|1,0,0]=3 218 B6R1.2 NC1=NC=NS1 013903 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 NC1=NN=CS1 064997 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 S=C1NC=CS1 180040 [2,0,0,0,0,0|1,0,1]=4 221 B6R1.2 SC1=CC=CS1 018767 [2,0,0,0,0,0|2,0,0]=4 222 B8R1.7 CC(=O)C1=CC=CS1 005042 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.7 CC(=O)C1=NC=CS1 002759 [1,1,0,0,0,0|0,0,1]=3 224 B8R1.7 CC(C)C1=NC=CN1 235680 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.7 CC(N)C1=CC=CS1 044441 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.7 O=C(O)C1=NC=CS1 046193 [1,1,0,0,0,0|1,0,1]=4 227 B8R1.8 CCCC1=CC=CS1 003676 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.8 CCOC1=NC=CS1 002763 [1,1,0,0,0,0|0,0,0]=2 229 B8R1.8 CNCC1=CC=CO1 226183 [1,1,0,0,0,0|1,1,0]=4 230 B8R1.8 CNCC1=CC=CS1 065484 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.8 N#CCC1=CC=CS1 003048 [1,1,0,0,0,0|1,0,1]=4 232 B8R1.8 NCCC1=CC=CS1 021380 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.8 NCCC1=CNC=N1 068673 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.8 NCCC1=CNC=N1 078943 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.8 OCCC1=CC=CS1 208753 [1,1,0,0,0,0|1,0,0]=3 236 B8R1.8 OCCN1C=CC=N1 036257 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.11 CN1C=CN=C1CN 041898 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.11 CN1C=CN=C1CO 067732 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.18 CC1=C(Br)N=C(Br)S1 220719 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.18 CC1=C(C)NC(S)=N1 009935 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.18 CC1=C(C)SC(N)=N1 014135 [1,1,0,0,0,0|1,0,0]=3 242 B8R1.18 CC1=C(C)SC(N)=N1 209385 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.18 CC1=C(C)SC(S)=N1 009921 [1,1,0,0,0,0|1,0,0]=3 244 B8R1.18 CC1=CC(C)=NN1C 019024 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.18 CC1=NC(C)=C(Br)S1 067367 [1,1,0,0,0,0|0,0,0]=2 246 B8R1.18 CC1=NN(C)C(N)=C1 017422 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.1 CC1=CC=C(CCN)C=C1 018851 [0,1,0,0,0,1|2,0,0]=4 248 B10R1.1 CC1=CC=C(CCO)C=C1 216320 [0,1,0,0,0,1|2,0,0]=4 249 B10R1.1 CCOC1=NC=C(I)C=C1 363566 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.1 CCSC1=CC=C(C)C=C1 094757 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.1 CNCC1=CC=C(C)C=C1 078911 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.3 CCC1=CC=C(CCl)C=C1 018680 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.3 CCC1=CC=C(CO)C=C1 237130 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.3 CCC1=CC=C(OC)C=C1 235779 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.3 CCC1=CC=C(SC)C=C1 019350 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.3 COC1=NN=C(OC)C=C1 338143 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.13 CC(=O)C1=CC=C(C)N=C1 024495 [0,1,0,0,0,1|1,0,1]=4 258 B10R1.13 CC(C)C1=CC=C(N)C=N1 064855 [0,1,0,0,0,1|2,0,0]=4 259 B10R1.13 CC(C)C1=CN=C(N)C=C1 091535 [0,1,0,0,0,1|2,0,0]=4 260 B10R1.13 CC1=CC=C(C(C)C)C=C1 048590 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.13 CC1=CC=C(C(C)C)CC1 099689 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.13 CC1=CC=C(C(C)N)C=C1 075281 [0,1,0,0,0,1|2,0,0]=4 263 B10R1.13 CC1=CC=C(C(C)O)C=C1 494146 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.13 CC1=CC=C(C(C)O)C=N1 024704 [0,1,0,0,0,1|1,0,0]=3 265 B10R1.13 CC1=CN=C(N(C)C)C=C1 024710 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.25 CCC1=C(C)C=C(C)C=N1 450509 [0,1,0,0,0,1|1,0,0]=3 267 B10R1.25 CCC1=C(N)N=C(C)C=C1 430516 [0,1,0,0,0,1|1,0,0]=3 268 B10R1.2 CCC1=C(Br)C(C)=CC=C1 038639 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.8 COC1=NC(N)=NC(C)=N1 046154 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.8 CSC1=NC(C)=CC(=O)N1 046352 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.8 CSC1=NC(C)=NC(N)=N1 065005 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.10 CC1=CC=CC(CCO)=C1 068240 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.10 CCNC1=CC=CC(C)=C1 216666 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.10 CNCC1=CC=CC(C)=C1 224541 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.113 CC(=O)C1=NC(C)=CC=C1 215987 [0,1,0,0,0,1|1,0,1]=4 277 B10R1.113 CC(O)C1=NC(Br)=CC=C1 217816 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.113 CC1=CC=CC(C(C)O)=C1 033735 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.113 CC1=NC(C(F)F)=CC=C1 050581 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.172 COC1=CC=CC(OC)=N1 045228 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.172 COC1=NC(OC)=NC=C1 077892 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.172 OCC1=CC=CC(CO)=N1 047749 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.14 COC(=O)C1=CC(C)=CS1 023893 [0,2,0,0,0,0|1,0,1]=4 284 B10R1.54 CC(=O)NC1=NC(C)=CS1 209198 [0,2,0,0,0,0|0,0,1]=3 285 B10R1.94 CC1=C(CCO)SC=[N+]1C 182247 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.96 COCC1=NOC(CN)=N1 359494 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.130 CC1=CC(C)=NN1CCO 449186 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.31 CC(C)C1=NC(CCl)=CS1 016130 [0,2,0,0,0,0|0,0,0]=2 289 B10R1.34 CCN1N=C(C)C(N)=C1C 030929 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.58 CC(C)C1=NN(C)C(N)=C1 021515 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.58 CC1=C(C)SC(C(C)C)=N1 009625 [0,2,0,0,0,0|0,0,0]=2 292 B10R1.55 CC1=NC(C(C)(C)C)=CS1 017137 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.4 CC1=NC(S)=NC=C1 068730 [0,0,1,1,0,0|1,0,1]=4 294 B8R1.2 CCC1=CC=CC=N1 098941 [0,0,1,1,0,0|1,0,1]=4 295 B8R1.3 CC1=CN=C(C)C=N1 002729 [0,0,1,1,0,0|1,0,1]=4 296 B6R0.3 C=C(C)C(=O)NC 241594 [0,0,1,0,1,0|1,1,0]=4 297 B6R0.3 C=C(C)C(=O)OC 995248 [0,0,1,0,1,0|1,1,0]=4 298 B6R0.3 CCC(=O)C(C)=O 464570 [0,0,1,0,1,0|1,1,0]=4