0 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,0,0,0,0|1,0,2]=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|2,0,0]=2 5 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,0,0,0,0|1,0,0]=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|1,0,1]=2 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|2,0,0]=3 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|2,0,1]=4 27 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|1,0,1]=3 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|2,0,1]=4 42 B11R1.1 C#CCOC1=CC=C(C=C1)F CDS024010 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.1 C#CCSC1=CC=C(C=C1)Br CDS024016 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.1 C(=O)NNC1=CC=C(C=C1)C R751820 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.1 C=CCOC1=CC=C(C=C1)C S433047 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.1 C=CCSC1=CC=C(C=C1)Br S767891 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.1 C=CCSC1=CC=C(C=C1)C S648388 [0,1,0,0,0,0|1,0,0]=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|2,0,1]=4 50 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,1,0,0,0,0|2,0,1]=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|1,0,2]=4 56 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,1,0,0,0,0|1,0,2]=4 57 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,1,0,0,0,0|2,0,1]=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|1,0,1]=3 61 B11R1.1 N#CCNC1=CC=C(C=C1)O S245933 [0,1,0,0,0,0|1,0,1]=3 62 B11R1.1 N#CCNC1=CC=C(C=C1)O S281433 [0,1,0,0,0,0|1,0,1]=3 63 B11R1.1 N#CCOC1=CC=C(C=C1)Br VBP00033 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.1 N#CCSC1=CC=C(C=C1)Cl EME00140 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,1,0,0,0,0|1,0,1]=3 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|2,0,1]=4 68 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,1,0,0,0,0|2,0,1]=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|2,0,0]=3 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|2,0,1]=4 76 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,1,0,0,0,0|2,0,1]=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|0,0,0]=1 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|1,0,2]=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|0,0,0]=1 92 B11R1.17 C=CCOC1=C(C=CN=C1)I PH017301 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.17 C=CCOC1=CC=CC=C1Cl S544744 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.17 C=CCON1C=CC=CC1=O T163252 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.17 C=CCSC1=CC=CC=C1N PH000451 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.17 CC1=C(C=CC=C1)NCC#N PH010275 [0,1,0,0,0,0|1,0,1]=3 98 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,1,0,0,0,0|1,0,1]=3 99 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,1,0,0,0,0|1,0,2]=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|2,0,1]=4 108 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.24 C#CCOC1=CC(=CC=C1)Br CDS023209 [0,1,0,0,0,0|1,0,2]=4 112 B11R1.24 C=CCSC1=NC(=CC=N1)O R456497 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.24 CC1=CC(=CC=C1)OCC#N OTV000130 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.24 CC1=CC(=NC=C1)NCCN PH015402 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,1,0,0,0,0|2,0,1]=4 120 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,1,0,0,0,0|1,0,2]=4 121 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,1,0,0,0,0|2,0,1]=4 123 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.24 OCCNC1=NC(=CC=C1)F CDS021253 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,1,0,0,0,0|1,0,2]=4 129 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,1,0,0,0,0|1,0,2]=4 130 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,1,0,0,0,0|1,0,0]=2 135 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,1,0,0,0,0|1,0,2]=4 136 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,1,0,0,0,0|1,0,2]=4 137 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,0,0,0,0|0,0,3]=4 138 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,0,0,0,0|1,0,2]=4 139 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,1,0,0,0,0|1,0,2]=4 140 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,1,0,0,0,0|1,0,2]=4 141 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,1,0,0,0,0|0,0,2]=3 147 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,1,0,0,0,0|1,0,2]=4 149 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.28 O/N=C/C=C/C1=CC=CC=C1 S566209 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,0,0,0,0|1,0,2]=4 154 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,1,0,0,0,0|1,0,2]=4 156 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.40 C=CC(=C)SC1=CC=CC=C1 S767840 [0,1,0,0,0,0|1,0,1]=3 158 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,0,0,0,0|0,0,2]=3 160 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,0|1,0,2]=4 161 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,0|1,0,2]=4 162 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,0|1,0,2]=4 166 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.91 C(=C\C1=CC=CC=C1)\C(=O)[O-] S303518 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,1,0,0,0,0|0,0,0]=1 170 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.91 C=C(Cl)CNC1=CC=CC=C1 PH010554 [0,1,0,0,0,0|0,0,0]=1 172 B11R1.91 C=C(Cl)CSC1=CC=CC=C1 S767883 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,1,0,0,0,0|1,0,2]=4 175 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,1,0,0,0,0|1,0,2]=4 176 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,1,0,0,0,0|1,0,2]=4 177 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.91 NC(=COC1=CC=CC=C1)N PH018935 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.91 O=C(O)/C=C/C1=CC=CC=C1 S826065 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.91 O=C(O)CCC1=CC=NC=C1 CDS002094 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.91 O=C(O)CNC1=NC=CC=C1 R411434 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.91 O=C(O)CSC1=CC=CC=N1 CDS002508 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S566357 [0,1,0,0,0,0|2,0,1]=4 193 B11R1.91 O=C([O-])/C=C/C1=CC=CC=C1 S573108 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.91 O=C([O-])C#CC1=CC=CC=C1 S631582 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.91 O=C([O-])COC1=CC=CC=C1 R257494 [0,1,0,0,0,0|2,0,0]=3 196 B11R1.91 O=C([O-])CSC1=CC=CC=C1 T288012 [0,1,0,0,0,0|2,0,0]=3 197 B9R0.18 C=CCNC(=S)NCC=C S371122 [0,0,1,0,0,0|2,0,1]=4 198 B9R0.45 C(=C/CCCC=C)\CC=C S434698 [0,0,1,0,0,0|1,0,2]=4 199 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|2,0,1]=4 200 B11R2.1 BrC1=NNC2=C1C=CC=N2 BLN00006 [0,0,0,1,0,0|3,0,0]=4 201 B11R2.1 BrC1=NNC2=C1C=NC=C2 BLN00011 [0,0,0,1,0,0|3,0,0]=4 202 B11R2.1 BrC1=NNC2=CC=CN=C12 BLN00010 [0,0,0,1,0,0|3,0,0]=4 203 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [0,0,0,1,0,0|3,0,0]=4 204 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|1,0,1]=3 205 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|2,0,1]=4 206 B11R2.1 ClC1=NNC2=C1C=CC=N2 BLN00021 [0,0,0,1,0,0|3,0,0]=4 207 B11R2.1 ClC1=NNC2=C1C=CC=N2 CDS020261 [0,0,0,1,0,0|3,0,0]=4 208 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [0,0,0,1,0,0|3,0,0]=4 209 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|3,0,0]=4 210 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|2,0,0]=3 213 B11R2.1 NC1=NNC2=CC=CN=C12 BLN00041 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [0,0,0,1,0,0|3,0,0]=4 215 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|2,0,1]=4 217 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|1,0,1]=3 220 B11R2.1 [O-][N+]1=CNC2=C1C=CC=C2 R429619 [0,0,0,1,0,0|2,0,1]=4 221 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,1,0,0|2,0,0]=3 222 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|2,0,1]=4 223 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,0,1,0,0|0,0,2]=3 224 B11R2.20 C1=CC2=CN=CC=C2N=C1 ADE000839 [0,0,0,1,0,0|1,0,2]=4 225 B11R2.20 C1=CC2=[N+](C=C1)C=CC=N2 S29867 [0,0,0,1,0,0|1,0,2]=4 226 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,1,0,0|1,0,1]=3 228 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,0,0,1,0,0|1,0,2]=4 229 B11R2.20 C1=CN=C2N=CC=CC2=C1 CDS021459 [0,0,0,1,0,0|1,0,2]=4 230 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,0,0,1,0,0|1,0,2]=4 231 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,0,1,0,0|2,0,1]=4 232 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,0,0,1,0,0|1,0,2]=4 233 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,0,1,0,0|2,0,1]=4 234 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,1,0,0|0,1,0]=2 235 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,0]=2 238 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,0]=2 239 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,0]=2 240 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 242 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,1,0]=4 244 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|2,0,0]=4 245 B10R0.78 C(=C\C(=O)NCC=C)\C(=O)O S393886 [0,1,1,0,0,0|2,0,0]=4 246 B10R1.1 C(=O)NC1=CC=C(C=C1)C S580171 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.1 C(=O)NC1=CC=C(C=C1)O S540560 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|0,0,2]=4 251 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|0,0,1]=3 252 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|1,0,1]=4 254 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|1,0,1]=4 256 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|1,0,1]=4 260 B10R1.1 ClC1=CC=C(C=C1)/C=C/Br CDS004058 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.1 O=CNC1=CC=C(C=C1)F S576530 [1,1,0,0,0,0|1,0,0]=3 264 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.4 C=CCN1C=CC=CC1=O T161047 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.4 C=CC[N+]1=CC=CC=C1N S142492 [1,1,0,0,0,0|1,0,0]=3 270 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 274 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|0,0,1]=3 275 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|1,0,1]=4 276 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,1]=4 279 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.10 C(=O)NC1=CC(=CC=C1)C S350052 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|0,0,2]=4 288 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|0,0,1]=3 289 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|1,0,1]=4 290 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|1,0,1]=4 291 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,1]=4 293 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.10 O=CNC1=CC=CC(=C1)Cl PH000062 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [1,1,0,0,0,0|1,0,1]=4 299 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,1]=4 300 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|0,0,1]=3 303 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|0,0,1]=3 304 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,1]=4 308 B10R1.15 N#CN(N)C1=CC=CC=C1 PH008710 [1,1,0,0,0,0|1,0,1]=4 309 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,1,0,0,0,0|2,0,0]=4 312 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,1,0,0,0,0|1,0,1]=4 314 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,1,0,0,0,0|1,0,1]=4 315 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.18 CC(=O)NC1=CC=CC=N1 S357146 [1,1,0,0,0,0|1,0,1]=4 318 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|1,0,1]=4 320 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,1,0,0,1,0|2,0,0]=4 329 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [0,2,0,0,0,0|0,0,0]=2 330 B12R1.1 CC1=CC=C(C=C1)NCCC#N S745715 [0,2,0,0,0,0|0,0,2]=4 331 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [0,2,0,0,0,0|0,0,2]=4 332 B12R1.1 Cl/C=C/COC1=CC=C(C=C1)Cl TMT00079 [0,2,0,0,0,0|1,0,0]=3 333 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [0,2,0,0,0,0|1,0,1]=4 334 B12R1.1 ClCNCNC1=CC=C(C=C1)I R433829 [0,2,0,0,0,0|1,0,1]=4 335 B12R1.1 N#CCCNC1=CC=C(C=C1)Br S745731 [0,2,0,0,0,0|0,0,2]=4 336 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl S742872 [0,2,0,0,0,0|0,0,2]=4 337 B12R1.1 O=CNCCC1=CC=C(C=C1)Br PH000598 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.1 O=CNCCC1=CC=C(C=C1)O PH010511 [0,2,0,0,0,0|2,0,0]=4 339 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [0,2,0,0,0,0|1,0,1]=4 340 B12R1.16 C=CCC(N)C1=CC=C(C=C1)F PH014951 [0,2,0,0,0,0|1,0,0]=3 341 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Br VBP00216 [0,2,0,0,0,0|1,0,1]=4 342 B12R1.21 CC1=CC=C(C=C1)OCC(=O)Cl OTV000056 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.21 CC1=CC=C(C=C1)SCC(=O)O S755710 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.21 N=C(N)COC1=CC=C(C=C1)Br CBR01126 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.21 N=C(N)COC1=CC=C(C=C1)F PH015367 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CDS020808 [0,2,0,0,0,0|2,0,0]=4 347 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br CBR00191 [0,2,0,0,0,0|2,0,0]=4 348 B12R1.21 NC(=O)COC1=CC=C(C=C1)N TMT00025 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Cl S637920 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.21 O=C(O)CNC1=CC=C(C=C1)F T109797 [0,2,0,0,0,0|1,0,0]=3 351 B12R1.69 C=CCOC1=CC=C(C=C1Cl)Br S683213 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.69 C=CCOC1=CC=C(C=C1Cl)Cl S357383 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.71 C=CCNC1=CC=C(C=C1)OC S340707 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.71 C=CCOC1=CC=C(C=C1)OC T279811 [0,2,0,0,0,0|1,0,0]=3 355 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [0,2,0,0,0,0|0,0,2]=4 356 B12R1.17 C=CCC(N)C1=CC=CC(=C1)Cl PH015654 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.17 C=CCC(O)C1=CC=CC(=C1)Br PH018221 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [0,2,0,0,0,0|0,0,2]=4 359 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [0,2,0,0,0,0|0,0,0]=2 360 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,2,0,0,0,0|0,0,0]=2 363 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [0,2,0,0,0,0|0,0,2]=4 364 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.39 C=CC[Si](C)(C)C1=CC=CC=C1 T274232 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.107 C=C(Cl)CN(C)C1=CC=CC=C1 R226874 [0,2,0,0,0,0|0,0,0]=2 371 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.308 C=CCC(N)C1=C(C=CC=C1)Cl PH014964 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [0,2,0,0,0,0|2,0,0]=4 375 B12R1.121 C=CCOC1=CC=CC=C1CO CDS022711 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.121 CCC1=CC=CC=C1NCCO S361496 [0,2,0,0,0,0|1,0,1]=4 378 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [0,2,0,0,0,0|1,0,0]=3 380 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.125 CC1=C(C=CC=C1)NCC(=O)O R871230 [0,2,0,0,0,0|1,0,0]=3 382 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [0,2,0,0,0,0|2,0,0]=4 383 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [0,2,0,0,0,0|2,0,0]=4 384 B12R1.125 CC1=CC=CC=C1SCC(=O)O R363820 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.125 N=C(N)CCC1=C(C=CC=C1)Cl PH015728 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.125 O=C(Cl)COC1=C(C=CC=C1)Cl OTV000735 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl PH000054 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.125 O=C(O)CNC1=C(C=CC=C1)Cl R871222 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.125 O=C(O)CNC1=C(C=CC=C1)F L447560 [0,2,0,0,0,0|1,0,0]=3 392 B12R1.125 O=C(O)COC1=C(C=CC=C1)Cl CDS001276 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.267 CC1=CC=CC=C1NCCC#N S365092 [0,2,0,0,0,0|0,0,2]=4 395 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [0,2,0,0,0,0|0,0,2]=4 396 B12R1.267 N#CCCNC1=CC=CC=C1Cl PH003692 [0,2,0,0,0,0|0,0,2]=4 397 B12R1.374 C=CCOC1=CC(=CC=C1C)C PH007948 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.1631 CC1=CC=CC(=C1NCC#N)C PH007654 [0,2,0,0,0,0|1,0,1]=4 399 B12R1.1631 CC1=CC=CC(=C1NCCN)C PH002687 [0,2,0,0,0,0|1,0,1]=4 400 B12R1.28 N#CCCNC1=CC=CC(=C1)Cl S295124 [0,2,0,0,0,0|0,0,2]=4 401 B12R1.226 CC(=O)COC1=CC=CC(=C1)Br OTV000350 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.226 CC(=O)NNC1=CC=CC(=C1)Cl PH007201 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O S353191 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.226 N=C(N)COC1=CC=CC(=C1)Cl CBR01127 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.226 NC1=CC(=CC=C1)CCC(=O)O CDS000895 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O PH011597 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.226 O=C(O)CNC1=CC(=CC=C1)Cl L449121 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.8 C(=N/NC1=CC=CC=C1)\CCC S848905 [0,2,0,0,0,0|0,0,2]=4 409 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [0,2,0,0,0,0|0,0,2]=4 410 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [0,2,0,0,0,0|0,0,2]=4 411 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [0,2,0,0,0,0|0,0,2]=4 412 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.27 CNC(=S)NNC1=CC=CC=C1 S512400 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 PH012682 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.27 [NH4]SC(=S)NNC1=CC=CC=C1 S412384 [0,2,0,0,0,0|2,0,0]=4 421 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,2,0,0,0,0|0,0,0]=2 423 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [0,2,0,0,0,0|0,0,0]=2 424 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 R611433 [0,2,0,0,0,0|1,0,1]=4 426 B12R1.32 N#CCC(=O)NC1=CC=CC=C1 S534161 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.32 O=C(/C=N/O)NC1=CC=CC=C1 PH000185 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,2,0,0,0,0|1,0,1]=4 431 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 S364789 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,2,0,0,0,0|1,0,1]=4 435 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,2,0,0,0,0|0,0,2]=4 438 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,2,0,0,0,0|0,0,2]=4 439 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,2,0,0,0,0|0,0,2]=4 440 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,2,0,0,0,0|0,0,2]=4 441 B12R1.252 N=C(N)NCCC1=CC=CC=C1 S370282 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.252 NC(=O)NCCC1=CC=CC=C1 PH010316 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.252 NC(=S)NCCC1=CC=CC=C1 PH011268 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.252 O=C(O)CCNC1=CC=CC=C1 R155780 [0,2,0,0,0,0|0,0,1]=3 448 B12R1.252 O=C(O)CCSC1=CC=CC=C1 L305855 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.252 O=C(O)CC[Te]C1=CC=CC=C1 S949442 [0,2,0,0,0,0|1,0,1]=4 450 B12R1.252 O=C(O)CNCC1=NC=CC=C1 PH014769 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [0,2,0,0,0,0|1,0,1]=4 452 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.891 O=S(=O)([O-])CNC1=CC=CC=C1 S505595 [0,2,0,0,0,0|2,0,0]=4 460 B10R2.7 C1=CC2=C(C=C1)SC=N2 R587656 [1,0,0,1,0,0|1,0,1]=4 461 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,0,0]=3 462 B10R2.7 C1=CC2=C(C=C1)[Se]C=N2 S440051 [1,0,0,1,0,0|1,0,1]=4 463 B10R2.7 C1=CC2=C(C=CN2)C=N1 PH010447 [1,0,0,1,0,0|1,0,0]=3 464 B10R2.7 C1=CC2=C(C=N1)C=NN2 BLN00013 [1,0,0,1,0,0|2,0,0]=4 465 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,1,0,0|1,0,0]=3 466 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,1,0,0|2,0,0]=4 467 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|2,0,0]=4 468 B10R2.7 C1=CN=C2C=CNC2=C1 ADE000968 [1,0,0,1,0,0|1,0,0]=3 469 B10R2.7 C1=CN=C2C=NNC2=C1 BLN00003 [1,0,0,1,0,0|2,0,0]=4 470 B10R2.7 [NH+]1=CSC2=C1C=CC=C2 R241989 [1,0,0,1,0,0|1,0,1]=4 471 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,0]=3 472 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,1,0,0|1,0,1]=4 473 B12R2.24 BrC1=CC=C2SCCNC2=C1 VBP00120 [0,1,0,1,0,0|1,0,1]=4 474 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CDS017224 [0,1,0,1,0,0|2,0,0]=4 475 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,1,0,0|1,0,1]=4 476 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,1,0,1,0,0|0,0,2]=4 477 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,1,0,1,0,0|2,0,0]=4 478 B12R2.24 ClC1=CC2=C(C=CC=C2)C=N1 PH006843 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.24 ClC1=CC2=C(C=CN=C2)C=C1 S850225 [0,1,0,1,0,0|2,0,0]=4 480 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CDS014905 [0,1,0,1,0,0|0,0,2]=4 481 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,1,0,0|1,0,1]=4 482 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,1,0,0|1,0,1]=4 483 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.24 NC1=CC2=C(C=CC=C2)C=C1 S810606 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.24 NC1=CC2=CC=CC=C2C=N1 ANV00025 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CDS019693 [0,1,0,1,0,0|0,0,2]=4 487 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CDS005467 [0,1,0,1,0,0|2,0,0]=4 488 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,1,0,0|1,0,0]=3 489 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,1,0,0|1,0,1]=4 490 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CDS009409 [0,1,0,1,0,0|0,0,2]=4 491 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CDS008204 [0,1,0,1,0,0|0,0,2]=4 492 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,1,0,1,0,0|0,0,2]=4 493 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,1,0,0|2,0,0]=4 495 B12R2.132 CC1=CNC2=C1C=C(C=C2)Cl PHB00308 [0,1,0,1,0,0|0,0,2]=4 496 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.132 OC1=NNC2=C1C=C(C=C2)Br CDS022568 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.2 C1=CC=C(C=C1)C2=CC=NO2 JRD0097 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|1,0,1]=4 500 B12R2.2 C1=CC=C(C=C1)C2=CN=CO2 CDS018116 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.2 C1=CC=C(C=C1)C2=NOC=C2 JRD0165 [0,1,0,1,0,0|1,0,1]=4 502 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,1,0,1,0,0|1,0,1]=4 503 B12R2.2 C1=CN=CC(=C1)N2C=CC=C2 CDS009908 [0,1,0,1,0,0|1,0,1]=4 504 B12R2.1081 CC1=CC=CC2=C1NCCC2 CDS013606 [0,1,0,1,0,0|0,0,2]=4 505 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|1,0,1]=4 506 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,1,0,0|0,0,2]=4 507 B12R2.1081 ClC1=CC=CC2=CC=CN=C12 CDS004725 [0,1,0,1,0,0|0,0,2]=4 508 B12R2.1081 ClC1=CC=CC2=CC=NC=C12 CDS006562 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.1081 FC1=CC=CC2=CC=CN=C12 CDS006871 [0,1,0,1,0,0|0,0,2]=4 510 B12R2.1081 IC1=C2C=CC=NC2=CC=C1 CDS021135 [0,1,0,1,0,0|0,0,2]=4 511 B12R2.1081 NC1=C2CCCNC2=CC=C1 PH003531 [0,1,0,1,0,0|0,0,2]=4 512 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 S513253 [0,1,0,1,0,0|2,0,0]=4 513 B12R2.1081 NC1=CC=CC2=CC=CC=C12 CDS019944 [0,1,0,1,0,0|1,0,1]=4 514 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CDS020140 [0,1,0,1,0,0|2,0,0]=4 515 B12R2.1081 NC1=CC=NC2=CC=CC=C12 BBO000743 [0,1,0,1,0,0|0,0,2]=4 516 B12R2.1081 NC1=CC=NC2=CC=CC=C12 CDS009704 [0,1,0,1,0,0|0,0,2]=4 517 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|1,0,1]=4 518 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|0,0,1]=3 519 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [0,1,0,1,0,0|1,0,1]=4 521 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.1081 OC1=CC=CC2=C1N=CC=C2 S440892 [0,1,0,1,0,0|0,0,2]=4 523 B12R2.1081 OC1=CC=CC2=C1NCCC2 CDS019675 [0,1,0,1,0,0|0,0,2]=4 524 B12R2.1081 OC1=CC=CC2=CC=NC=C12 CDS007114 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.1081 OC1=CN=CC2=CC=CC=C12 CDS009938 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.1081 [NH+]1=CC=CC2=C1C(=CC=C2)[S-] R396265 [0,1,0,1,0,0|0,0,2]=4 527 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,1,0,0|0,0,2]=4 528 B12R2.32 O=CC1=NC2=C(N1)C=CC=C2 PH006841 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.196 CC1=CNC2=C(C=CC=C12)Br T117943 [0,1,0,1,0,0|0,0,2]=4 530 B12R2.196 FC1=C2NN=C(C2=CC=C1)Br CDS023948 [0,1,0,1,0,0|2,0,0]=4 531 B12R2.196 NC1=NNC2=C(C=CC=C12)Br CDS023799 [0,1,0,1,0,0|2,0,0]=4 532 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.612 CC1=NNC2=C1C=CC(=C2)I PHB00239 [0,1,0,1,0,0|1,0,1]=4 535 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.612 OC1=NNC2=C1C=CC(=C2)Br CDS022567 [0,1,0,1,0,0|2,0,0]=4 537 B12R2.1 NCC1=CNC2=C1C=CC=C2 CDS020852 [0,1,0,1,0,0|0,0,2]=4 538 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS009727 [0,1,0,1,0,0|1,0,1]=4 539 B12R2.1 NCC1=NNC2=CC=CC=C12 CDS022347 [0,1,0,1,0,0|1,0,1]=4 540 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [0,1,0,1,0,0|0,0,2]=4