0 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,0,0,0,0,0|1,1,1]=3 2 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,0,0,0,0|0,1,2]=3 3 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,0,0,0,0|1,1,0]=2 5 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,0,0,0,0|0,1,2]=3 7 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,0,0,0,0|0,1,0]=1 8 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,0,0,0,0,0|2,0,2]=4 9 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,0,0,0,0,0|2,0,2]=4 13 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,0,0,0,0,0|1,1,1]=3 21 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.8 C(=O)NC1=CN=CC=C1 S243426 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,1,0,0,0,0|0,1,2]=4 44 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,1,0,0,0,0|0,1,0]=2 47 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,0,0,0,0|0,1,0]=2 48 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 CC1=CC=C(C=C1)OCC#N S114081 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,1,0,0,0,0|1,1,1]=4 53 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,1,0,0,0,0|0,1,2]=4 56 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,1,0,0,0,0|0,1,2]=4 57 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,1,0,0,0,0|1,1,1]=4 58 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,1,0,0,0,0|1,1,1]=4 59 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.1 N#CCNC1=CC=C(C=C1)O S136581 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,1,0,0,0,0|1,0,1]=3 64 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,1,0,0,0,0|1,1,1]=4 65 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,1,0,0,0,0|1,1,1]=4 70 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.1 O=CNNC1=CC=C(C=C1)Br PH007135 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,1,0,0,0,0|1,1,1]=4 77 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,1,0,0,0,0|0,1,2]=4 84 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.17 C/C=C/CC1=CC=CC=C1O PH015920 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.17 C=CCNC1=CC=CC=C1C S432768 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.17 C=CCOC1=C(C=CN=C1)I PH017301 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,1,0,0,0,0|0,0,0]=1 94 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,1,0,0,0,0|0,0,0]=1 95 B11R1.17 C=CCON1C=CC=CC1=O T163252 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,1,0,0,0,0|0,1,0]=2 97 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,1,0,0,0,0|1,0,1]=3 100 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,1,0,0,0,0|0,0,2]=3 104 B11R1.17 CCCOC1=CC=CN=C1N OTV000742 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,1,0,0,0,0|0,1,2]=4 106 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,1,0,0,0,0|1,0,1]=3 108 B11R1.17 NC1=C(C=CN=C1)OCCO ADE000692 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.17 NC1=CC=CN=C1OCCO ADE000693 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,1,0,0,0,0|1,0,1]=3 113 B11R1.17 OCCOC1=NC=CC=C1O ADE000107 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.24 C#CCOC1=CC(=CC=C1)Br CDS023209 [0,1,0,0,0,0|0,0,2]=3 115 B11R1.24 C=CCSC1=NC(=CC=N1)O R456497 [0,1,0,0,0,0|2,1,0]=4 116 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,1,0,0,0,0|0,0,2]=3 123 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,1,0,0,0,0|0,0,2]=3 131 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,0,0,0,0|0,0,0]=1 132 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,0,0,0,0|0,1,0]=2 133 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,1,0,0,0,0|0,0,2]=3 137 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,1,0,0,0,0|1,0,2]=4 138 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,1,0,0,0,0|0,1,2]=4 143 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,1,0,0,0,0|0,0,2]=3 144 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,0,0,0,0|0,1,0]=2 145 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,1,0,0,0,0|0,1,2]=4 146 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,1,0,0,0,0|1,0,1]=3 148 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,1,0,0,0,0|0,0,2]=3 150 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,1,0,0,0,0|0,0,2]=3 151 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,1,0,0,0,0|0,1,2]=4 156 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,0,0,0,0|0,1,1]=3 157 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,0|0,0,3]=4 159 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,0,0,0,0|1,0,2]=4 160 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,1,0,0,0,0|0,1,0]=2 165 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,1,0,0,0,0|0,1,0]=2 167 B11R1.91 CC(=NOC1=CC=NC=C1)C T160091 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.91 CC(=NOC1=CC=NC=C1)C T161659 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,1,0,0,0,0|0,1,1]=3 170 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,1,0,0,0,0|0,1,2]=4 171 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,1,0,0,0,0|0,0,2]=3 173 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,1,0,0,0,0|1,1,0]=3 181 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,1,0,0,0,0|2,1,0]=4 188 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,1,0,0,0,0|1,1,0]=3 193 B9R0.45 C(=C/CCCC=C)\CC=C S434698 [0,0,1,0,0,0|1,0,2]=4 194 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|1,0,1]=3 195 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 196 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|1,0,1]=3 197 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|2,0,0]=3 198 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|2,1,0]=4 199 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|2,1,0]=4 200 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|2,0,0]=3 202 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|1,0,1]=3 204 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|3,0,0]=4 205 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|3,0,0]=4 206 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,0,1]=4 207 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,1,0,0|2,0,0]=3 208 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,0,1,0,0|1,0,1]=3 210 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [0,0,0,1,0,0|2,0,1]=4 211 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [0,0,0,1,0,0|2,0,1]=4 212 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,1,0,0|3,0,0]=4 213 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,1,0,0|1,0,1]=3 214 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,1,0,0|1,0,2]=4 218 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,0,1,0,0|2,0,1]=4 219 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,1,0,0|1,0,0]=2 220 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|2,0,1]=4 221 B8R0.1 C(=C/C(=O)OCC=C)\C S357375 [1,0,1,0,0,0|1,0,1]=4 222 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,0]=2 224 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,0]=2 225 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,0]=2 226 B8R1.2 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 227 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 228 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 229 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 231 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 232 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|0,0,0]=2 235 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|0,0,2]=4 237 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|0,0,1]=3 239 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|0,0,1]=3 240 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|0,1,1]=4 242 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|0,1,1]=4 243 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,1]=4 244 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.4 C=CCN1C=CC=CC1=O T161047 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|0,1,0]=3 258 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|0,0,1]=3 262 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [1,1,0,0,0,0|1,0,1]=4 263 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|0,1,1]=4 264 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|0,0,2]=4 275 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|0,1,1]=4 279 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,1,0,0,0,0|2,0,0]=4 298 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|0,0,0]=2 299 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,1,0,0,0,0|1,1,0]=4 309 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,1,0,0,0,0|2,0,0]=4 310 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,1,0,0,1,0|2,0,0]=4 313 B12R1.1 BrCCCOC1=CC=C(C=C1)Br PH000245 [0,2,0,0,0,0|0,0,2]=4 314 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.1 CC1=CC=C(C=C1)OCCCBr PH011050 [0,2,0,0,0,0|0,0,2]=4 316 B12R1.1 CC1=CC=C(C=C1)OCCNN PH019543 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [0,2,0,0,0,0|0,0,2]=4 318 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [0,2,0,0,0,0|0,0,2]=4 319 B12R1.1 Cl/C=C/COC1=CC=C(C=C1)Cl TMT00079 [0,2,0,0,0,0|0,0,0]=2 320 B12R1.1 FC1=CC=C(C=C1)OCCCBr PH011047 [0,2,0,0,0,0|0,0,2]=4 321 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [0,2,0,0,0,0|0,0,2]=4 322 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.1 OCCCOC1=CC=C(C=C1)F PH016159 [0,2,0,0,0,0|0,0,2]=4 325 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|1,0,0]=3 326 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,2,0,0,0,0|0,1,1]=4 327 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,2,0,0,0,0|0,0,2]=4 328 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,2,0,0,0,0|0,0,2]=4 330 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,2,0,0,0,0|1,1,0]=4 331 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,2,0,0,0,0|1,0,0]=3 332 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,2,0,0,0,0|2,0,0]=4 334 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,2,0,0,0,0|1,0,0]=3 335 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,2,0,0,0,0|1,1,0]=4 337 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.69 C#CCOC1=C(C=C(C=C1)Cl)Cl CDS016116 [0,2,0,0,0,0|0,0,2]=4 339 B12R1.69 C=CCOC1=CC=C(C=C1Cl)Br S683213 [0,2,0,0,0,0|0,0,0]=2 340 B12R1.69 C=CCOC1=CC=C(C=C1Cl)Cl S357383 [0,2,0,0,0,0|0,0,0]=2 341 B12R1.69 CC1=CC(=C(C=C1)OCCN)Br R414468 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.69 CC1=CC(=C(C=C1)OCCN)C R414352 [0,2,0,0,0,0|1,0,1]=4 343 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Cl VBP00009 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.69 N#CCOC1=C(C=C(C=C1)Br)Br KOB0095 [0,2,0,0,0,0|1,0,1]=4 345 B12R1.69 N#CCOC1=CC=C(C=C1Cl)Cl S724165 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.69 NC1=CC=C(C(=C1)N)OCCO S457817 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.71 C#CCOC1=CC=C(C=C1)C#N CDS020728 [0,2,0,0,0,0|0,0,2]=4 348 B12R1.71 C#CCOC1=CC=C(C=C1)OC CDS024011 [0,2,0,0,0,0|0,0,2]=4 349 B12R1.71 C(=O)C1=CC=C(C=C1)OCCBr S428620 [0,2,0,0,0,0|1,0,1]=4 350 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,2,0,0,0,0|0,0,0]=2 352 B12R1.71 CCC1=CC=C(C=C1)OCCN R414301 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.71 COC1=CC=C(C=C1)OCC#N PH011081 [0,2,0,0,0,0|1,0,1]=4 354 B12R1.71 COC1=CC=C(C=C1)OCCBr PH009793 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.71 COC1=CC=C(C=C1)OCCO S538531 [0,2,0,0,0,0|1,0,1]=4 356 B12R1.71 N#CCOC1=CC=C(C=C1)C=O KOB0059 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.71 N#CCOC1=CC=C(C=C1)CBr CDS023488 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.71 O=CC1=CC=C(C=C1)OCCO PH010575 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.385 CC1=CC(=CC=C1Cl)OCCN CDS018207 [0,2,0,0,0,0|1,0,1]=4 360 B12R1.385 CC1=CC(=CC=C1Cl)OCCO S538655 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.385 CC1=CC=C(C=C1C)OCCBr PH011037 [0,2,0,0,0,0|1,0,1]=4 362 B12R1.385 CCCOC1=CC=C(C(=C1)C)N CDS012022 [0,2,0,0,0,0|0,0,2]=4 363 B12R1.17 C=CCC(N)C1=CC=CC(=C1)Cl PH015654 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [0,2,0,0,0,0|1,0,0]=3 366 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,2,0,0,0,0|0,0,0]=2 369 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [0,2,0,0,0,0|1,0,1]=4 371 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.39 C=CC[Si](C)(C)C1=CC=CC=C1 T274232 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.308 C=CCC(N)C1=C(C=CC=C1)Cl PH014964 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,2,0,0,0,0|2,0,0]=4 377 B12R1.25 CC1=CC=CC(=C1C)OCCBr PH010193 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.121 C=CCOC1=CC=CC=C1CO CDS022711 [0,2,0,0,0,0|0,0,0]=2 379 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [0,2,0,0,0,0|0,0,0]=2 380 B12R1.121 CCCOC1=CC=CC=C1CO CDS022874 [0,2,0,0,0,0|0,0,2]=4 381 B12R1.121 COC1=C(C=CC=C1)OCCN CDS000191 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.121 COC1=C(C=CC=C1)OCCN PH009790 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.121 COC1=CC=CC=C1OCCCl R549363 [0,2,0,0,0,0|1,0,1]=4 384 B12R1.121 COCOC1=C(C=CC=C1)C=O PH008423 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.121 N#CCOC1=CC=CC=C1C#N L255912 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.121 O=CC1=C(C=CC=C1)OCCO CDS000425 [0,2,0,0,0,0|1,0,1]=4 387 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,2,0,0,0,0|0,1,0]=3 389 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,2,0,0,0,0|0,0,1]=3 390 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [0,2,0,0,0,0|0,0,2]=4 391 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,2,0,0,0,0|1,0,0]=3 393 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [0,2,0,0,0,0|0,0,2]=4 394 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,2,0,0,0,0|1,0,0]=3 395 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,2,0,0,0,0|1,1,0]=4 396 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.267 BrCCCOC1=C(C=CC=C1)Br PH011151 [0,2,0,0,0,0|0,0,2]=4 405 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,2,0,0,0,0|0,1,0]=3 406 B12R1.267 CC1=CC=CC=C1OCCCBr PH000372 [0,2,0,0,0,0|0,0,2]=4 407 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [0,2,0,0,0,0|0,0,2]=4 408 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [0,2,0,0,0,0|0,0,2]=4 409 B12R1.267 CNCCOC1=CC=CC=C1C PH012062 [0,2,0,0,0,0|0,0,2]=4 410 B12R1.267 COCCOC1=C(C=CC=C1)N CBR00261 [0,2,0,0,0,0|0,0,2]=4 411 B12R1.267 ClC1=C(C=CC=C1)OCCCBr PH000248 [0,2,0,0,0,0|0,0,2]=4 412 B12R1.374 C=CCOC1=CC(=CC=C1C)C PH007948 [0,2,0,0,0,0|0,0,0]=2 413 B12R1.374 CC1=CC(=C(C=C1)C)OCCBr PH000371 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.374 CCCOC1=CC(=CC=C1N)C CDS012021 [0,2,0,0,0,0|0,0,2]=4 415 B12R1.374 N#CCOC1=CC(=CC=C1Cl)Cl OTV000126 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.1631 CC1=CC=CC(=C1OCC#N)C PH000526 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.1631 CC1=CC=CC(=C1OCCN)C OTV000226 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.1631 CC1=CC=CC(=C1OCCN)C R414344 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.1631 OCCOC1=C(C=CC=C1Cl)Cl S597325 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.28 CC1=CC(=CC=C1)OCCC#N PH001328 [0,2,0,0,0,0|0,0,2]=4 421 B12R1.28 CC1=CC(=CC=C1)OCCNN PH019453 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.28 CC1=CC=CC(=C1)OCCCBr PH000366 [0,2,0,0,0,0|0,0,2]=4 423 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [0,2,0,0,0,0|0,0,2]=4 424 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [0,2,0,0,0,0|0,0,2]=4 425 B12R1.28 COCCOC1=CC(=CC=C1)N CBR01420 [0,2,0,0,0,0|0,0,2]=4 426 B12R1.28 ClC1=CC(=CC=C1)OCCCBr PH000250 [0,2,0,0,0,0|0,0,2]=4 427 B12R1.28 NCCCOC1=CC=CC(=C1)Cl CDS002045 [0,2,0,0,0,0|0,0,2]=4 428 B12R1.100 CC1=CC(=CC(=C1)OCC#N)C OTV000124 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.100 CC1=CC(=CC(=C1)OCCN)C OTV000146 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,2,0,0,0,0|0,0,1]=3 431 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.382 C#CCOC1=CC=CC(=C1)C=O CBR01578 [0,2,0,0,0,0|0,0,2]=4 437 B12R1.382 CCCOC1=CC=CC(=C1)C=O CDS007421 [0,2,0,0,0,0|0,0,2]=4 438 B12R1.382 COC1=CC(=CC=C1)OCCN R414409 [0,2,0,0,0,0|1,0,1]=4 439 B12R1.382 COC1=CC=CC(=C1)OCC#N OTV000048 [0,2,0,0,0,0|1,0,1]=4 440 B12R1.382 O=CC1=CC=CC(=C1)OCCO CDS000173 [0,2,0,0,0,0|1,0,1]=4 441 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [0,2,0,0,0,0|0,0,2]=4 442 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [0,2,0,0,0,0|0,0,2]=4 443 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [0,2,0,0,0,0|0,0,2]=4 444 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [0,2,0,0,0,0|0,0,2]=4 445 B12R1.8 N#CCCCOC1=CC=CC=C1 PH010897 [0,2,0,0,0,0|0,0,2]=4 446 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [0,2,0,0,0,0|0,0,2]=4 447 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [0,2,0,0,0,0|1,0,1]=4 448 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,2,0,0,0,0|0,1,0]=3 449 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,2,0,0,0,0|0,0,2]=4 452 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.32 CC(CNN)OC1=CC=CC=C1 PH018967 [0,2,0,0,0,0|1,0,1]=4 459 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,2,0,0,0,0|1,0,1]=4 460 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,2,0,0,0,0|1,0,1]=4 461 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,2,0,0,0,0|0,0,0]=2 462 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,2,0,0,0,0|0,1,1]=4 464 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,2,0,0,0,0|0,1,1]=4 465 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,2,0,0,0,0|1,0,1]=4 466 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,2,0,0,0,0|0,0,2]=4 467 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,2,0,0,0,0|1,0,1]=4 469 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,2,0,0,0,0|1,1,0]=4 470 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,2,0,0,0,0|0,1,1]=4 475 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,2,0,0,0,0|0,1,1]=4 476 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,2,0,0,0,0|1,1,0]=4 480 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,2,0,0,0,0|2,0,0]=4 482 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,2,0,0,0,0|2,0,0]=4 483 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,1,0,0|1,1,0]=4 484 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,1,0]=4 485 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,1,0,0|1,1,0]=4 486 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,1,0,0|2,0,0]=4 487 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,1,0,0|2,0,0]=4 488 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|1,0,0]=3 489 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|1,0,1]=4 490 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,1,0,0|2,0,0]=4 491 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,1,0,0|1,1,0]=4 492 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 493 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,1,0,0|1,0,1]=4 494 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,1,0,0|0,1,1]=4 496 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,1,0,1,0,0|1,0,1]=4 497 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,1,0,1,0,0|1,0,1]=4 501 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,1,0,0|1,0,1]=4 502 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,1,0,0|1,0,1]=4 503 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,1,0,0|1,1,0]=4 504 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,1,0,0|1,0,1]=4 505 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,1,0,1,0,0|1,0,1]=4 506 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,1,0,1,0,0|1,0,1]=4 508 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,1,0,1,0,0|0,0,2]=4 510 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,1,0,1,0,0|0,0,2]=4 511 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,1,0,0|0,0,1]=3 513 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,1,0,1,0,0|2,0,0]=4 514 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,1,0,1,0,0|1,0,1]=4 516 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,1,0,1,0,0|1,0,1]=4 517 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [0,1,0,1,0,0|1,0,1]=4 518 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,1,0,1,0,0|0,0,2]=4 519 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,1,0,0|1,0,0]=3 521 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|1,0,1]=4 522 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|2,0,0]=4 523 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,1,0,1,0,0|1,0,1]=4 526 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,1,0,1,0,0|1,0,1]=4 528 B12R2.1081 BrC1=CC=CC2=C1OCCO2 VBP00024 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|1,0,1]=4 530 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,1,0,0|1,0,1]=4 531 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,1,0,1,0,0|1,0,1]=4 532 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,1,0,1,0,0|1,0,1]=4 534 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,1,0,1,0,0|1,0,1]=4 537 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,1,0,1,0,0|1,0,1]=4 540 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|0,1,1]=4 541 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|1,0,1]=4 542 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|1,0,0]=3 543 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|2,0,0]=4 544 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,1,0,1,0,0|1,0,1]=4 546 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,1,0,1,0,0|2,0,0]=4 547 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,1,0,1,0,0|1,0,1]=4 549 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [0,1,0,1,0,0|2,0,0]=4 550 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [0,1,0,1,0,0|2,0,0]=4 553 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,1,0,0|1,0,1]=4 554 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,1,0,1,0,0|2,0,0]=4 555 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|2,0,0]=4 556 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,1,0,1,0,0|2,0,0]=4 557 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,1,0,1,0,0|1,0,1]=4 558 B7R0.3 C=CCOC(=O)C=C S459836 [2,0,1,0,0,0|1,0,0]=4 559 B7R1.3 CC1=CC=NC=C1 T256412 [3,0,0,0,0,0|1,0,0]=4 560 B7R1.3 CC1=CC=NC=C1 T330418 [3,0,0,0,0,0|1,0,0]=4 561 B7R1.3 NC1=CC=CC=C1 S698326 [3,0,0,0,0,0|1,0,0]=4 562 B7R1.3 OC1=CC=NC=C1 CDS013613 [3,0,0,0,0,0|1,0,0]=4 563 B7R1.3 [O-]C1=CC=CC=C1 CDS001581 [3,0,0,0,0,0|0,0,1]=4 564 B7R1.3 [S-]C1=CC=CC=C1 S578991 [3,0,0,0,0,0|0,1,0]=4 565 B9R1.1 CC1=CC=C(C=C1)CS S369497 [2,1,0,0,0,0|1,0,0]=4 566 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [2,1,0,0,0,0|1,0,0]=4 567 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [2,1,0,0,0,0|1,0,0]=4 568 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [2,1,0,0,0,0|1,0,0]=4 569 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [2,1,0,0,0,0|1,0,0]=4 570 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [2,1,0,0,0,0|1,0,0]=4 571 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [2,1,0,0,0,0|1,0,0]=4 572 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [2,1,0,0,0,0|0,1,0]=4 573 B9R1.1 CSC1=CC=C(C=C1)N S418595 [2,1,0,0,0,0|0,1,0]=4 574 B9R1.1 NCC1=CC=C(C=C1)F R750263 [2,1,0,0,0,0|1,0,0]=4 575 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [2,1,0,0,0,0|1,0,0]=4 576 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [2,1,0,0,0,0|1,0,0]=4 577 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [2,1,0,0,0,0|0,0,1]=4 578 B9R1.2 CNC1=CC(=CC=C1)N S604097 [2,1,0,0,0,0|1,0,0]=4 579 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [2,1,0,0,0,0|0,0,0]=3 580 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [2,1,0,0,0,0|1,0,0]=4 581 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [2,1,0,0,0,0|1,0,0]=4 582 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [2,1,0,0,0,0|1,0,0]=4 583 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [2,1,0,0,0,0|1,0,0]=4 584 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [2,1,0,0,0,0|1,0,0]=4 585 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [2,1,0,0,0,0|1,0,0]=4 586 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [2,1,0,0,0,0|0,1,0]=4 587 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [2,1,0,0,0,0|1,0,0]=4 588 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [2,1,0,0,0,0|0,0,1]=4 589 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [2,1,0,0,0,0|1,0,0]=4 590 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [2,1,0,0,0,0|0,1,0]=4 591 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [2,1,0,0,0,0|1,0,0]=4 592 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [2,1,0,0,0,0|1,0,0]=4 593 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [2,1,0,0,0,0|1,0,0]=4 594 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [2,1,0,0,0,0|1,0,0]=4 595 B9R1.15 COC1=CC=CC=C1N CDS000192 [2,1,0,0,0,0|0,0,0]=3 596 B9R1.15 COC1=CC=NC=C1Br CDS007984 [2,1,0,0,0,0|1,0,0]=4 597 B9R1.15 COC1=NC=CC=C1N CDS002836 [2,1,0,0,0,0|1,0,0]=4 598 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [2,1,0,0,0,0|1,0,0]=4 599 B9R1.15 NCC1=CC=CC=C1Br T151114 [2,1,0,0,0,0|1,0,0]=4 600 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [1,2,0,0,0,0|0,0,0]=3 601 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [1,2,0,0,0,0|0,0,1]=4 602 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [1,2,0,0,0,0|0,0,1]=4 603 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [1,2,0,0,0,0|0,0,1]=4 604 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [1,2,0,0,0,0|0,0,1]=4 605 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [1,2,0,0,0,0|0,0,1]=4 606 B11R1.20 CC1=CC=C(C=C1)CC(=O)Cl CDS008580 [1,2,0,0,0,0|1,0,0]=4 607 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [1,2,0,0,0,0|1,0,0]=4 608 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [1,2,0,0,0,0|1,0,0]=4 609 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [1,2,0,0,0,0|1,0,0]=4 610 B11R1.20 NC1=CC=C(C=C1)CC(=S)O R466522 [1,2,0,0,0,0|1,0,0]=4 611 B11R1.20 S=C(Cl)OC1=CC=C(C=C1)Cl T341398 [1,2,0,0,0,0|1,0,0]=4 612 B11R1.22 C=CC(O)C1=CC=C(C=C1)Cl PH007653 [1,2,0,0,0,0|0,0,0]=3 613 B11R1.81 C=CCC1=CC=C(N=C1Cl)Br ADE000576 [1,2,0,0,0,0|1,0,0]=4 614 B11R1.81 CC1=CC(=C(C=C1)CC=O)C PH015341 [1,2,0,0,0,0|1,0,0]=4 615 B11R1.81 CCOC1=C(C=C(C=C1)N)Cl CBR01472 [1,2,0,0,0,0|0,0,1]=4 616 B11R1.81 CCOC1=CC=C(C=C1N)N S454931 [1,2,0,0,0,0|0,0,1]=4 617 B11R1.83 CCOC1=CC=C(C=C1)CN CDS003326 [1,2,0,0,0,0|0,0,1]=4 618 B11R1.192 CCOC1=CC=C(C(=C1)N)Cl PH004977 [1,2,0,0,0,0|0,0,1]=4 619 B11R1.192 CCOC1=CC=C(C(=C1)N)N CDS007491 [1,2,0,0,0,0|0,0,1]=4 620 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [1,2,0,0,0,0|0,0,1]=4 621 B11R1.86 CC(=O)OC1=C(C=CC=C1)I KOB0112 [1,2,0,0,0,0|0,0,1]=4 622 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,2,0,0,0,0|0,0,1]=4 623 B11R1.86 CC1=C(C=CC=C1)CC(=O)Cl PH014881 [1,2,0,0,0,0|1,0,0]=4 624 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [1,2,0,0,0,0|1,0,0]=4 625 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [1,2,0,0,0,0|1,0,0]=4 626 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [1,2,0,0,0,0|1,0,0]=4 627 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [1,2,0,0,0,0|1,0,0]=4 628 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [1,2,0,0,0,0|1,0,0]=4 629 B11R1.86 NC(=O)OC1=CC=CC=C1Cl PH009081 [1,2,0,0,0,0|1,0,0]=4 630 B11R1.86 NC1=C(C=CC=C1)CC(=O)O CDS003084 [1,2,0,0,0,0|1,0,0]=4 631 B11R1.182 C=CCC1=CC(=CC=C1O)C S35298 [1,2,0,0,0,0|0,0,0]=3 632 B11R1.182 C=CCC1=CC(=CN=C1Cl)C ADE000755 [1,2,0,0,0,0|1,0,0]=4 633 B11R1.182 CC1=CC(=C(C=C1)C)CC=O PH015094 [1,2,0,0,0,0|1,0,0]=4 634 B11R1.605 C=CCC1=C(C=CN=C1Cl)I ADE000600 [1,2,0,0,0,0|1,0,0]=4 635 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [1,2,0,0,0,0|0,0,1]=4 636 B11R1.34 CCOC1=CC(=CC(=C1)C)C S798266 [1,2,0,0,0,0|0,0,1]=4 637 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [1,2,0,0,0,0|0,0,1]=4 638 B11R1.157 FC1=CC=CC(=C1)OC(F)F MNO000146 [1,2,0,0,0,0|1,0,0]=4 639 B11R1.157 O=C([O-])CC1=CC(=CC=C1)Br S235490 [1,2,0,0,0,0|1,0,0]=4 640 B11R1.157 OC1=CC=CC(=C1)OC(F)F CDS005791 [1,2,0,0,0,0|1,0,0]=4 641 B11R1.189 C(=O)CC1=CC=CC(=C1)OC CDS021827 [1,2,0,0,0,0|1,0,0]=4 642 B11R1.12 N#CC(C=O)C1=CC=CC=C1 PH011096 [1,2,0,0,0,0|1,0,0]=4 643 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,2,0,0,0,0|0,0,1]=4 644 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,2,0,0,0,0|1,0,0]=4 645 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,2,0,0,0,0|1,0,0]=4 646 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,2,0,0,0,0|1,0,0]=4 647 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,2,0,0,0,0|1,0,0]=4 648 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,2,0,0,0,0|1,0,0]=4 649 B13R1.14 COC(=O)COC1=CC=C(C=C1)Br EME00079 [0,3,0,0,0,0|0,0,1]=4 650 B13R1.14 COC(=O)COC1=CC=C(C=C1)Cl PH009782 [0,3,0,0,0,0|0,0,1]=4 651 B13R1.14 COC(=O)COC1=CC=C(C=C1)N CDS020172 [0,3,0,0,0,0|0,0,1]=4 652 B13R1.14 NNC(=O)COC1=CC=C(C=C1)Cl JRD0868 [0,3,0,0,0,0|1,0,0]=4 653 B13R1.14 O=C(COC1=CC=C(C=C1)Cl)NO PH010540 [0,3,0,0,0,0|1,0,0]=4 654 B13R1.369 C/C=C/COC1=CC=C(C=C1Br)C S697605 [0,3,0,0,0,0|0,0,0]=3 655 B13R1.371 C=CCNCC1=CC=C(C=C1)OC T286176 [0,3,0,0,0,0|1,0,0]=4 656 B13R1.29 C=CCS(=O)(=O)C1=CC=C(C=C1)C S863211 [0,3,0,0,0,0|0,1,0]=4 657 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)N R397091 [0,3,0,0,0,0|1,0,0]=4 658 B13R1.3 C(=O)C1=CC=C(C=C1)OCC(=O)[O-] S928836 [0,3,0,0,0,0|1,0,0]=4 659 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O S616656 [0,3,0,0,0,0|1,0,0]=4 660 B13R1.133 CC(OC1=CC=C(C=C1)Br)C(=O)O CDS005545 [0,3,0,0,0,0|1,0,0]=4 661 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O R750298 [0,3,0,0,0,0|1,0,0]=4 662 B13R1.133 CC(OC1=CC=C(C=C1)F)C(=O)O PH009975 [0,3,0,0,0,0|1,0,0]=4 663 B13R1.164 CC1=C(C=CC(=C1)Cl)OCC(=O)[O-] R750271 [0,3,0,0,0,0|1,0,0]=4 664 B13R1.164 CC1=CC(=CC=C1OCC(=O)N)Cl R631132 [0,3,0,0,0,0|1,0,0]=4 665 B13R1.164 CC1=CC=C(C(=C1)Br)OCC(=O)O S697141 [0,3,0,0,0,0|1,0,0]=4 666 B13R1.164 CC1=CC=C(C(=C1)C)OCC(=O)O R703249 [0,3,0,0,0,0|1,0,0]=4 667 B13R1.164 NC(=O)COC1=C(C=C(C=C1)Cl)Br EME00177 [0,3,0,0,0,0|1,0,0]=4 668 B13R1.164 NC(=S)COC1=CC=C(C=C1Cl)Cl PH016696 [0,3,0,0,0,0|1,0,0]=4 669 B13R1.164 O=C(Cl)COC1=C(C=C(C=C1)Cl)Cl PH014592 [0,3,0,0,0,0|1,0,0]=4 670 B13R1.511 CC1=C(C=CC(=C1)OCC(=O)N)Cl R343048 [0,3,0,0,0,0|1,0,0]=4 671 B13R1.511 CC1=CC(=CC=C1Cl)OCC(=O)O CDS006826 [0,3,0,0,0,0|1,0,0]=4 672 B13R1.1630 C=CCOC1=CC(=C(C=C1Cl)Cl)Cl PH007540 [0,3,0,0,0,0|0,0,0]=3 673 B13R1.74 C(=O)COC1=CC=C(C=C1)C(C)C S275700 [0,3,0,0,0,0|1,0,0]=4 674 B13R1.577 C=CCOC1=CC(=C(C=C1)CN)Cl PH015887 [0,3,0,0,0,0|0,0,0]=3 675 B13R1.577 C=CCOC1=CC=C(C(=C1)F)CN PH016069 [0,3,0,0,0,0|0,0,0]=3 676 B13R1.405 C=CCC(C(=O)C)C1=CC=CC=C1 S38882 [0,3,0,0,0,0|1,0,0]=4 677 B13R1.405 C=CCN(C(=O)C)C1=CC=CC=C1 PH007238 [0,3,0,0,0,0|1,0,0]=4 678 B13R1.12 C=CCC(N)C1=C(C(=CC=C1)F)F PH015935 [0,3,0,0,0,0|1,0,0]=4 679 B13R1.24 C=CCCCS(=O)C1=CC=CC=C1 T293229 [0,3,0,0,0,0|0,1,0]=4 680 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [0,3,0,0,0,0|0,0,0]=3 681 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [0,3,0,0,0,0|1,0,0]=4 682 B13R1.122 C=CCNS(=O)(=O)C1=CC=CC=C1 R150207 [0,3,0,0,0,0|0,1,0]=4 683 B13R1.674 C=CCNC(=O)C1=CC=CC=C1Br S880698 [0,3,0,0,0,0|1,0,0]=4 684 B13R1.674 C=CCNC(=O)C1=CC=CC=C1I T110914 [0,3,0,0,0,0|1,0,0]=4 685 B13R1.674 C=CCNC(=O)C1=CC=CC=C1O S542830 [0,3,0,0,0,0|1,0,0]=4 686 B13R1.708 C=CC(C)S(=O)(=O)C1=CC=CC=C1 T288926 [0,3,0,0,0,0|0,1,0]=4 687 B13R1.4453 C=CCC(N)C1=C(C=CC=C1F)F PH014953 [0,3,0,0,0,0|1,0,0]=4 688 B13R1.150 CC1=C(C(=CC=C1)OCC(=O)O)C S361100 [0,3,0,0,0,0|1,0,0]=4 689 B13R1.90 CC(=O)COC1=CC=CC=C1C#N R299871 [0,3,0,0,0,0|0,0,1]=4 690 B13R1.90 CCC1=CC=CC=C1OCC(=O)O OTV000239 [0,3,0,0,0,0|1,0,0]=4 691 B13R1.90 COC1=CC=CC=C1OCC(=N)N CBR01209 [0,3,0,0,0,0|1,0,0]=4 692 B13R1.90 N#CC1=CC=CC=C1OCC(=O)O CDS011537 [0,3,0,0,0,0|1,0,0]=4 693 B13R1.572 C=CCOC1=CC=CC=C1C(=O)N S380326 [0,3,0,0,0,0|0,0,0]=3 694 B13R1.572 C=CCSC1=CC=CC=C1C(=O)O PH010180 [0,3,0,0,0,0|0,1,0]=4 695 B13R1.202 CC(OC1=C(C=CC=C1)Cl)C(=O)O R425818 [0,3,0,0,0,0|1,0,0]=4 696 B13R1.202 CC(OC1=CC=CC=C1F)C(=O)O CDS011686 [0,3,0,0,0,0|1,0,0]=4 697 B13R1.202 CC1=CC=CC=C1OC(C)C(=O)O PH010162 [0,3,0,0,0,0|1,0,0]=4 698 B13R1.528 CC1=CC=CC=C1OC/C(=N/O)/N PH012692 [0,3,0,0,0,0|1,0,0]=4 699 B13R1.528 CC1=CC=CC=C1OCC(=O)NN R396877 [0,3,0,0,0,0|1,0,0]=4 700 B13R1.528 CNC(=O)COC1=CC=CC=C1Br CDS005859 [0,3,0,0,0,0|0,0,1]=4 701 B13R1.528 N/C(=N\O)/COC1=CC=CC=C1Br PH012677 [0,3,0,0,0,0|1,0,0]=4 702 B13R1.528 N/C(=N\O)/COC1=CC=CC=C1Cl PH012678 [0,3,0,0,0,0|1,0,0]=4 703 B13R1.528 O=C(COC1=CC=CC=C1Cl)NO PH008683 [0,3,0,0,0,0|1,0,0]=4 704 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O R435279 [0,3,0,0,0,0|1,0,0]=4 705 B13R1.893 CC1=CC(=C(C=C1)C)OCC(=O)O S408166 [0,3,0,0,0,0|1,0,0]=4 706 B13R1.893 O=C(O)COC1=C(C=CC(=C1)Cl)Cl OTV000322 [0,3,0,0,0,0|1,0,0]=4 707 B13R1.893 O=C(O)COC1=CC(=CC=C1Br)F CDS022259 [0,3,0,0,0,0|1,0,0]=4 708 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C S947865 [0,3,0,0,0,0|1,0,0]=4 709 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F EME00439 [0,3,0,0,0,0|0,0,1]=4 710 B13R1.15 CNC(=O)COC1=CC(=CC=C1)Br EME00143 [0,3,0,0,0,0|0,0,1]=4 711 B13R1.15 N/C(=N\O)/COC1=CC(=CC=C1)Br PH012683 [0,3,0,0,0,0|1,0,0]=4 712 B13R1.148 CC(OC1=CC=CC(=C1)F)C(=O)O CDS002341 [0,3,0,0,0,0|1,0,0]=4 713 B13R1.3420 CC1=CC(=CC(=C1)OCC(=O)O)C S408174 [0,3,0,0,0,0|1,0,0]=4 714 B13R1.643 N#CC1=CC=CC(=C1)OCC(=O)N EME00031 [0,3,0,0,0,0|1,0,0]=4 715 B13R1.643 NC(=O)COC1=CC=CC(=C1)C=O CBR01186 [0,3,0,0,0,0|1,0,0]=4 716 B13R1.28 BrCC/C=C/CSC1=CC=CC=C1 T245429 [0,3,0,0,0,0|0,1,0]=4 717 B13R1.28 OC/C=C/COCC1=CC=CC=C1 T274372 [0,3,0,0,0,0|0,0,0]=3 718 B13R1.42 C/C(=C\C#N)/CCC1=CC=CC=C1 R160423 [0,3,0,0,0,0|1,0,0]=4 719 B13R1.42 C=C(CCO)CSC1=CC=CC=C1 T232815 [0,3,0,0,0,0|0,1,0]=4 720 B13R1.42 CNNC(=O)COC1=CC=CC=C1 T151408 [0,3,0,0,0,0|0,0,1]=4 721 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 S591424 [0,3,0,0,0,0|1,0,0]=4 722 B13R1.44 C=CCNC(=S)NC1=CC=CC=C1 S519847 [0,3,0,0,0,0|1,0,0]=4 723 B13R1.44 C=CCOC(=O)NC1=CC=CC=C1 PH008700 [0,3,0,0,0,0|0,0,0]=3 724 B13R1.44 C=CCOC(=S)NC1=CC=CC=C1 PH007059 [0,3,0,0,0,0|0,0,0]=3 725 B13R1.337 CC(=CCCOC1=CC=CC=C1)C S36987 [0,3,0,0,0,0|0,0,0]=3 726 B13R1.337 N=C(N)NCCOC1=CC=CC=C1 PH012552 [0,3,0,0,0,0|0,0,1]=4 727 B13R1.337 O=C(Cl)CCCOC1=CC=CC=C1 CDS000728 [0,3,0,0,0,0|0,0,1]=4 728 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [0,3,0,0,0,0|0,0,1]=4 729 B13R1.718 COC(=O)CCOC1=CC=CC=C1 S363723 [0,3,0,0,0,0|0,0,1]=4 730 B13R1.135 COC(=O)C(C)OC1=CC=CC=C1 JRD1262 [0,3,0,0,0,0|0,0,1]=4 731 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,3,0,0,0,0|1,0,0]=4 732 B13R1.79 C=CC(CCO)SC1=CC=CC=C1 T245437 [0,3,0,0,0,0|0,1,0]=4 733 B13R1.348 C=C(Br)CN(C)CC1=CC=CC=C1 PH012663 [0,3,0,0,0,0|1,0,0]=4 734 B13R1.418 CCC(OC1=CC=CC=C1)C(=O)O PH010776 [0,3,0,0,0,0|1,0,0]=4 735 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)N PH001417 [0,3,0,0,0,0|1,0,0]=4 736 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,3,0,0,0,0|1,0,0]=4 737 B9R1.50 O=C1C=CC=CC=CC1 T179078 [1,0,1,1,0,0|1,0,0]=4 738 B13R2.12 CC1=CC=C(C=C1)C2=CC=NO2 S952613 [0,2,0,1,0,0|1,0,0]=4 739 B13R2.12 ClC1=CC=C(C=C1)C2=CC=NO2 JRD0357 [0,2,0,1,0,0|1,0,0]=4 740 B13R2.12 FC1=CC=C(C=C1)C2=CC=NO2 JRD0098 [0,2,0,1,0,0|1,0,0]=4 741 B13R2.12 NC1=CC=C(C=C1)C2=CC=CO2 CBR00754 [0,2,0,1,0,0|0,0,1]=4 742 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 JRD0738 [0,2,0,1,0,0|0,0,1]=4 743 B13R2.162 O=C1CCOC2=CC=C(C=C12)O PH006899 [0,2,0,1,0,0|0,0,1]=4 744 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 PH002854 [0,2,0,1,0,0|0,0,1]=4 745 B13R2.5179 O=C1C=COC2=CC(=CC=C12)Cl JRD1023 [0,2,0,1,0,0|0,0,1]=4 746 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O PH011288 [0,2,0,1,0,0|0,0,1]=4 747 B13R2.155 NC1=CC=C2C=CC(=O)OC2=C1 CDS022443 [0,2,0,1,0,0|0,0,1]=4 748 B13R2.155 O=C1COC2=CC=C(C=C2N1)O OTV000751 [0,2,0,1,0,0|1,0,0]=4 749 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS000898 [0,2,0,1,0,0|0,0,1]=4 750 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CDS019990 [0,2,0,1,0,0|0,0,1]=4 751 B13R2.3683 O=C1C=CC2=C(O1)C=CC(=C2)Cl PH007228 [0,2,0,1,0,0|0,0,1]=4 752 B13R2.3683 O=C1COC2=CC(=CC=C2N1)O OTV000448 [0,2,0,1,0,0|1,0,0]=4 753 B13R2.328 CC1=CC(=O)OC2=C1C=CC=C2 S97102 [0,2,0,1,0,0|0,0,1]=4 754 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 S732184 [0,2,0,1,0,0|0,0,1]=4 755 B13R2.369 CC1=CC2=C(C=CC=C2)OC1=O PH003698 [0,2,0,1,0,0|0,0,1]=4 756 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O JRD0784 [0,2,0,1,0,0|1,0,0]=4 757 B13R2.1 C=CCN1CSC2=C1C=CC=C2 R244228 [0,2,0,1,0,0|0,1,0]=4 758 B13R2.1 C=CC[N+]1=CSC2=C1C=CC=C2 S274445 [0,2,0,1,0,0|0,1,0]=4 759 B13R2.3 C1=CC=C(C=C1)C2CC=CCC2 CDS000056 [0,2,0,1,0,0|1,0,0]=4 760 B13R2.10 NC1=NOC(=C1)C2=CC=CC=C2 JRD0178 [0,2,0,1,0,0|1,0,0]=4 761 B13R2.10 O=C1C=CN(C1)C2=CC=CC=C2 R464171 [0,2,0,1,0,0|1,0,0]=4 762 B13R2.10 OC1=NOC(=C1)C2=CC=CC=C2 PH018168 [0,2,0,1,0,0|1,0,0]=4 763 B13R2.15 BrC1=C(ON=C1)C2=CC=CC=C2 JRD0111 [0,2,0,1,0,0|1,0,0]=4 764 B13R2.1613 N/N=C/1\C=COC2=C1C=CC=C2 T292575 [0,2,0,1,0,0|0,0,1]=4 765 B13R2.13 NC1=CC(=CC=C1)C2=CC=CO2 CBR00753 [0,2,0,1,0,0|0,0,1]=4 766 B13R2.13 NC1=CC=CC(=C1)C2=CC=CO2 CDS014550 [0,2,0,1,0,0|0,0,1]=4 767 B13R2.342 CC1=CC=CC2=C1OCCC2=O PH014564 [0,2,0,1,0,0|0,0,1]=4 768 B13R2.342 O=C1CCOC2=C1C=CC=C2F PH015252 [0,2,0,1,0,0|0,0,1]=4 769 B13R2.382 C=C1CC1C(O)C2=CC=CC=C2 L168629 [0,2,0,1,0,0|1,0,0]=4 770 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,2,0,1,0,0|1,0,0]=4 771 B13R2.435 O=C(O)C1OC2=C(O1)C=CC=C2 PH010404 [0,2,0,1,0,0|1,0,0]=4 772 B13R2.26 C=CCN1CC2=CC=CC=C2C1 PH012987 [0,2,0,1,0,0|1,0,0]=4 773 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 R462292 [0,2,0,1,0,0|1,0,0]=4 774 B13R2.64 C1=CC=C(C=C1)SC2C=CCC2 T278858 [0,2,0,1,0,0|0,1,0]=4 775 B13R2.64 C1=CC=C(C=C1)[Se]C2=CCCO2 T292648 [0,2,0,1,0,0|0,0,1]=4 776 B13R2.135 CC1=C(C2=CC=CC=C2O1)C=O CDS002371 [0,2,0,1,0,0|0,0,1]=4 777 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 BBO000747 [0,2,0,1,0,0|1,0,0]=4 778 B13R2.72 O=C(O)C1=NOC2=CC=CC=C12 CDS009986 [0,2,0,1,0,0|1,0,0]=4 779 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2C3 S792225 [0,1,0,2,0,0|1,0,0]=4