0 B8R1.8 CCCC1=CC=CS1 003676 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.8 CCOC1=NC=CS1 002763 [0,0,0,0,0,0|0,0,0]=0 2 B8R1.8 CCOC1=NCCC1 037326 [0,0,0,0,0,0|1,0,2]=3 3 B8R1.8 CCSC1=NN=NN1 002927 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.8 CNCC1=CC=CO1 226183 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.8 CNCC1=CC=CS1 065484 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 N#CCC1=CC=CS1 003048 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.8 NCCC1=CC=CS1 021380 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 NCCC1=CNC=N1 068673 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 NCCC1=CNC=N1 078943 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 OCCC1=CC=CS1 208753 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.8 OCCN1C=CC=N1 036257 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 C(=O)C1=CC=CS1 003419 [1,0,0,0,0,0|2,0,1]=4 13 B7R1.1 CCC1=CC=CN1 002567 [1,0,0,0,0,0|1,0,1]=3 14 B7R1.1 CCC1=CC=CS1 001177 [1,0,0,0,0,0|1,0,0]=2 15 B7R1.1 CCC1=CSC=C1 006141 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CCC1=NC=CN1 018684 [1,0,0,0,0,0|1,0,0]=2 17 B7R1.1 CCC1=NCCO1 336609 [1,0,0,0,0,0|0,1,2]=4 18 B7R1.1 CCN1C=CC=C1 002566 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 CCN1C=CC=N1 068645 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 COC1=CSC=C1 013627 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 COC1=NC=CS1 009621 [1,0,0,0,0,0|0,0,0]=1 22 B7R1.1 COC1=NCCC1 008046 [1,0,0,0,0,0|1,0,2]=4 23 B7R1.1 CSC1=NC=CS1 009622 [1,0,0,0,0,0|0,1,0]=2 24 B7R1.1 CSC1=NN=CN1 009887 [1,0,0,0,0,0|2,1,0]=4 25 B7R1.1 ClCC1=CNC=N1 016135 [1,0,0,0,0,0|3,0,0]=4 26 B7R1.1 ClCC1=CSC=N1 013925 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 ClCC1=NC=CN1 023425 [1,0,0,0,0,0|2,0,0]=3 28 B7R1.1 N#CC1=CC=CS1 008056 [1,0,0,0,0,0|2,0,1]=4 29 B7R1.1 N#CC1=NC=CN1 234256 [1,0,0,0,0,0|2,0,1]=4 30 B7R1.1 NCC1=CC=CO1 358202 [1,0,0,0,0,0|2,1,0]=4 31 B7R1.1 NCC1=CC=CS1 092186 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 NCC1=COC=N1 219245 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 NCC1=NC=CS1 013114 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.1 NCC1=NNC=C1 043021 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 O=CC1=NC=CN1 011781 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.1 O=CC1=NC=CS1 046294 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.1 OCC1=CC=CO1 143000 [1,0,0,0,0,0|2,1,0]=4 38 B7R1.1 OCC1=CC=CS1 208652 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.1 OCC1=CN=CS1 016175 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 OCC1=CNC=N1 016121 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 OCC1=CNC=N1 067734 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 OCC1=CSC=N1 016174 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 OCC1=NC=CS1 067720 [1,0,0,0,0,0|1,0,0]=2 44 B7R1.1 OCN1C=CC=N1 078295 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 SCC1=CC=CO1 002796 [1,0,0,0,0,0|2,1,0]=4 46 B7R1.1 SCC1=CC=CS1 104865 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.7 CCOC1=CC(=O)CC1 245911 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.7 COCC1=NN=C(S)S1 019313 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.11 CCC(=O)C1=CC=CN1 180052 [0,1,0,0,0,0|2,0,1]=4 50 B9R1.11 CCC(=O)C1=CC=CS1 001219 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.11 CNC(=O)C1=CC=CS1 102501 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.11 COC(=O)C1=CC=CS1 011194 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.11 NCC(O)C1=CC=CS1 019507 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.11 O=C(CBr)C1=CC=CS1 064663 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.13 CC(=O)NC1=CC=CS1 093044 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.13 CC(=O)NC1=NC=CS1 013388 [0,1,0,0,0,0|1,0,1]=3 57 B9R1.13 CC(C)CC1=NC=CS1 009620 [0,1,0,0,0,0|1,0,0]=2 58 B7R0.1 CC\C=C\C=C\C=O 242611 [0,0,1,0,0,0|2,1,0]=4 59 B7R0.7 C=COC(=O)CCC 005032 [0,0,1,0,0,0|2,1,0]=4 60 B7R0.7 CCOC(=O)N=C=S 002560 [0,0,1,0,0,0|1,1,1]=4 61 B7R0.7 CCO\C(C)=N\C#N 044784 [0,0,1,0,0,0|2,0,1]=4 62 B7R0.7 C\C=C\C(=O)OCC 098555 [0,0,1,0,0,0|1,1,1]=4 63 B9R1.8 CCCC1=CC=CC=C1 095067 [0,0,0,0,0,1|3,0,0]=4 64 B9R1.8 CCCC1=CC=NC=C1 235894 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.8 CCCC1=NC=CC=C1 242850 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.8 CCCC1=NC=CN=C1 002735 [0,0,0,0,0,1|2,0,0]=3 67 B9R1.8 CCNC1=CC=CC=C1 216665 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.8 CCOC1=CC=CC=C1 098890 [0,0,0,0,0,1|2,0,0]=3 69 B9R1.8 CCOC1=NC=CC=C1 049694 [0,0,0,0,0,1|1,0,0]=2 70 B9R1.8 CCOC1=NCCCC1 044390 [0,0,0,0,0,1|1,0,2]=4 71 B9R1.8 CCSC1=CC=CC=C1 001759 [0,0,0,0,0,1|2,1,0]=4 72 B9R1.8 CCSC1=NC=CC=C1 095363 [0,0,0,0,0,1|1,1,0]=3 73 B9R1.8 ClCCC1=CC=CC=N1 070463 [0,0,0,0,0,1|3,0,0]=4 74 B9R1.8 NCCC1=CC=CN=C1 010689 [0,0,0,0,0,1|3,0,0]=4 75 B9R1.8 NCCC1=CC=CN=C1 033239 [0,0,0,0,0,1|3,0,0]=4 76 B9R1.8 NCCC1=CC=CN=C1 065473 [0,0,0,0,0,1|3,0,0]=4 77 B9R1.8 NCCC1=NC=CC=C1 013702 [0,0,0,0,0,1|3,0,0]=4 78 B9R1.8 OCCC1=CC=CN=C1 017523 [0,0,0,0,0,1|3,0,0]=4 79 B9R1.8 OCCC1=NC=CC=C1 223718 [0,0,0,0,0,1|3,0,0]=4 80 B6R0.6 CCC\C=C\C=O 098868 [1,0,1,0,0,0|1,1,0]=4 81 B6R0.6 CCO\C=C\C#N 106435 [1,0,1,0,0,0|0,0,2]=4 82 B6R0.1 C=CC(=O)OCC 094594 [1,0,1,0,0,0|0,1,0]=3 83 B6R0.1 C=CCC(=O)OC 513980 [1,0,1,0,0,0|1,1,0]=4 84 B6R0.1 C=COC(=O)CC 005111 [1,0,1,0,0,0|1,1,0]=4 85 B6R0.1 CCOC(=O)C=O 079534 [1,0,1,0,0,0|1,1,0]=4 86 B6R0.1 CCOC(=S)S[K] 033163 [1,0,1,0,0,0|2,0,0]=4 87 B6R0.1 CCO\C(C)=N/O 036372 [1,0,1,0,0,0|1,0,1]=4 88 B6R1.2 BrC1=CC=CS1 001055 [2,0,0,0,0,0|2,0,0]=4 89 B6R1.2 BrC1=NC=CS1 021802 [2,0,0,0,0,0|1,0,0]=3 90 B6R1.2 BrC1=NN=CS1 046500 [2,0,0,0,0,0|2,0,0]=4 91 B6R1.2 CC1=CC=CN1 214609 [2,0,0,0,0,0|1,0,1]=4 92 B6R1.2 CC1=CC=CO1 463359 [2,0,0,0,0,0|1,1,0]=4 93 B6R1.2 CC1=CC=CS1 001209 [2,0,0,0,0,0|1,0,0]=3 94 B6R1.2 CC1=CNC=N1 078608 [2,0,0,0,0,0|2,0,0]=4 95 B6R1.2 CC1=COC=N1 224056 [2,0,0,0,0,0|2,0,0]=4 96 B6R1.2 CC1=CSC=N1 002765 [2,0,0,0,0,0|2,0,0]=4 97 B6R1.2 CC1=NC=CN1 157400 [2,0,0,0,0,0|1,0,0]=3 98 B6R1.2 CC1=NNC=C1 033183 [2,0,0,0,0,0|2,0,0]=4 99 B6R1.2 CN1C=CC=N1 046854 [2,0,0,0,0,0|2,0,0]=4 100 B6R1.2 ClC1=CC=CS1 002954 [2,0,0,0,0,0|2,0,0]=4 101 B6R1.2 IC1=CC=CS1 001058 [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 NC1=NC=CN1 013113 [2,0,0,0,0,0|2,0,0]=4 103 B6R1.2 NC1=NC=CN1 076511 [2,0,0,0,0,0|2,0,0]=4 104 B6R1.2 NC1=NC=CO1 043635 [2,0,0,0,0,0|1,1,0]=4 105 B6R1.2 NC1=NC=CS1 078568 [2,0,0,0,0,0|1,0,0]=3 106 B6R1.2 NC1=NC=NS1 013903 [2,0,0,0,0,0|2,0,0]=4 107 B6R1.2 NC1=NN=CS1 064997 [2,0,0,0,0,0|2,0,0]=4 108 B6R1.2 S=C1NC=CS1 180040 [2,0,0,0,0,0|0,1,1]=4 109 B6R1.2 SC1=CC=CS1 018767 [2,0,0,0,0,0|1,1,0]=4 110 B8R0.1 CCOC(=O)\C=C\C=O 235591 [0,1,1,0,0,0|1,1,0]=4 111 B8R1.1 CC1=CC=C(CO)S1 362444 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.1 CC1=CSC(C=O)=N1 065270 [1,1,0,0,0,0|1,0,1]=4 113 B8R1.1 CC1=CSC(CN)=C1 023898 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.1 CCC1=NC=C(C)N1 403581 [1,1,0,0,0,0|1,0,0]=3 115 B8R1.1 CCC1=NN=C(N)O1 009901 [1,1,0,0,0,0|1,1,0]=4 116 B8R1.1 CCC1=NSC(N)=N1 009733 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.1 CNC1=NN=C(S)S1 026277 [1,1,0,0,0,0|2,0,0]=4 118 B8R1.1 COC1=NC(N)=NS1 009730 [1,1,0,0,0,0|1,0,0]=3 119 B8R1.1 COC1=NSC(N)=N1 009665 [1,1,0,0,0,0|2,0,0]=4 120 B8R1.1 CSC1=NC(Br)=NS1 024023 [1,1,0,0,0,0|1,1,0]=4 121 B8R1.1 CSC1=NC(Cl)=NS1 024022 [1,1,0,0,0,0|1,1,0]=4 122 B8R1.1 CSC1=NC(N)=NS1 009668 [1,1,0,0,0,0|1,1,0]=4 123 B8R1.1 CSC1=NC(O)=NS1 005951 [1,1,0,0,0,0|1,1,0]=4 124 B8R1.1 CSC1=NN=C(N)S1 013408 [1,1,0,0,0,0|1,1,0]=4 125 B8R1.1 CSC1=NN=C(S)S1 005495 [1,1,0,0,0,0|1,1,0]=4 126 B8R1.1 NCC1=CC(Br)=CS1 091824 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.1 O=CC1=NC(Br)=CS1 016124 [1,1,0,0,0,0|1,0,1]=4 128 B8R1.7 CC(=O)C1=CC=CS1 005042 [1,1,0,0,0,0|1,0,1]=4 129 B8R1.7 CC(=O)C1=NC=CS1 002759 [1,1,0,0,0,0|0,0,1]=3 130 B8R1.7 CC(C)C1=NC=CN1 235680 [1,1,0,0,0,0|1,0,0]=3 131 B8R1.7 CC(N)C1=CC=CS1 044441 [1,1,0,0,0,0|1,0,0]=3 132 B8R1.7 O=C(O)C1=NC=CS1 046193 [1,1,0,0,0,0|1,0,1]=4 133 B8R1.11 CN1C=CN=C1CN 041898 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.11 CN1C=CN=C1CO 067732 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.1 CCOC1=CC=C(Br)C=C1 024186 [0,1,0,0,0,1|2,0,0]=4 136 B10R1.1 CCOC1=CC=C(F)C=C1 006317 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.1 CCOC1=CC=C(I)C=C1 038701 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.1 CCOC1=CC=C(N)C=C1 230478 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.1 CCOC1=CC=C(O)C=C1 049967 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.1 CCOC1=NC=C(I)C=C1 363566 [0,1,0,0,0,1|1,0,0]=3 141 B10R1.4 CCOC1=C(Br)C=CC=C1 239298 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.4 CCOC1=C(C)C=CC=C1 095339 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.4 CCOC1=C(F)C=CC=C1 006316 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.4 CCOC1=C(N)C=CC=C1 044850 [0,1,0,0,0,1|2,0,0]=4 145 B10R1.4 CCOC1=CC=CC=C1O 216685 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.10 CCOC1=CC(C)=CC=C1 095135 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.15 CCC(=O)C1=CC=CN=C1 494152 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.17 BrCCOC1=CC=CC=C1 210427 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.17 CCCSC1=NC=CC=C1 097642 [0,1,0,0,0,1|1,1,0]=4 150 B10R1.17 CCNCC1=CC=CN=C1 046110 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.17 CCOCC1=CC=CC=C1 240434 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.17 CNCCC1=NC=CC=C1 065480 [0,1,0,0,0,1|2,0,0]=4 153 B10R1.17 ICCOC1=CC=CC=C1 313818 [0,1,0,0,0,1|2,0,0]=4 154 B10R1.17 NCCOC1=CC=CC=C1 078737 [0,1,0,0,0,1|2,0,0]=4 155 B10R1.17 OCCCC1=CC=CN=C1 032639 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.17 OCCCC1=NC=CC=C1 234266 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.17 OCCNC1=NC=CC=C1 034929 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.17 OCCNC1=NC=CC=C1 061534 [0,1,0,0,0,1|2,0,0]=4 159 B10R1.17 OCCOC1=CC=CC=C1 005091 [0,1,0,0,0,1|2,0,0]=4 160 B10R1.18 CC(C)OC1=CC=CC=C1 038454 [0,1,0,0,0,1|2,0,0]=4 161 B10R1.54 CC(=O)NC1=NC(C)=CS1 209198 [0,2,0,0,0,0|1,0,1]=4 162 B10R1.11 CCCC(=O)C1=CC=CS1 024321 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.11 CCCC(O)C1=CC=CS1 102687 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.11 CCOC(=O)C1=CC=CN1 044380 [0,2,0,0,0,0|1,0,1]=4 165 B10R1.11 CCOC(=O)C1=CC=CO1 094583 [0,2,0,0,0,0|1,1,0]=4 166 B10R1.11 CCOC(=O)C1=CC=CS1 209197 [0,2,0,0,0,0|1,0,0]=3 167 B10R1.11 CCOC(=O)C1=CNC=N1 076539 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.11 CCOC(=O)C1=COC=N1 016177 [0,2,0,0,0,0|2,0,0]=4 169 B10R1.11 CCOC(=O)C1=CSC=N1 216421 [0,2,0,0,0,0|2,0,0]=4 170 B8R1.2 CCC1=CC=CC=N1 098941 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.2 CCC1=CC=CN=C1 242838 [0,0,1,1,0,0|2,0,0]=4 172 B8R1.2 CCC1=NC=CN=C1 002727 [0,0,1,1,0,0|2,0,0]=4 173 B8R1.4 CC1=NC(S)=NC=C1 068730 [0,0,1,1,0,0|1,0,1]=4 174 B10R2.7 C1=CC=C2OCCC2=C1 017117 [0,0,0,1,0,1|2,0,0]=4 175 B10R2.7 C1=CN=C2CCCC2=C1 075302 [0,0,0,1,0,1|2,0,0]=4