0 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 C(=C/SC1=CC=CC=C1)\C T281522 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.17 C(=O)NNC1=CC=CC=C1 S984272 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.17 C/C=C/SC1=CC=CC=C1 T282642 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.17 [N-]=[N+]=NCC1=CN=CC=C1 CBR01635 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,0,0,0,0,0|1,1,0]=2 24 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.1 CSCSC1=CC=C(C=C1)C S592749 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.1 N#CSCC1=CC=C(C=C1)Br L308307 [0,1,0,0,0,0|1,1,1]=4 59 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.16 COCC(N)C1=NC=CC=C1 CBR02363 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,1,0,0,0,0|1,1,1]=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|1,0,1]=3 91 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.17 CCCOC1=CC=CN=C1N OTV000742 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.17 NC1=NC=CC=C1CCCO ADE000774 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.17 NCCCN1C=CC=CC1=O CBR01559 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.17 OCCCC1=C(C=CN=C1)O ADE000771 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.24 CC1=CC(=CC=C1)CSC#N S411485 [0,1,0,0,0,0|1,1,1]=4 108 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.24 CC1=CC=CC(=C1)CN=[N+]=[N-] CDS015331 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.24 COCCC1=CC=CC(=N1)C S369543 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,1,0,0,0,0|0,0,1]=2 123 B11R1.28 C/C=C/COC1=CC=CC=C1 S767832 [0,1,0,0,0,0|1,0,1]=3 124 B11R1.28 C/C=C/CSC1=CC=CC=C1 S746207 [0,1,0,0,0,0|1,0,1]=3 125 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,0,0,0,0|1,0,1]=3 126 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,0,0,0,0|1,0,1]=3 127 B11R1.28 C=CCNCC1=NC=CC=C1 CDS020991 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.28 CC#CCOC1=CC=CC=C1 PH009632 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.28 CCCCSC1=NC=CC=N1 PH008617 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [0,1,0,0,0,0|0,0,1]=2 136 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [0,1,0,0,0,0|1,0,0]=2 138 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.28 Cl/C=C/CSC1=CC=CC=C1 S722243 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,1,0,0,0,0|0,0,1]=2 146 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.28 NNCCCC1=CC=NC=C1 PH019436 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.28 NNCCCC1=NC=CC=C1 PH019447 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [0,1,0,0,0,0|2,0,0]=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(=O)OC1=CC=CC=C1 CDS000560 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.40 CN(C#N)CC1=CC=CC=C1 PH008772 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.40 CNC(C)CC1=NC=CC=C1 CBR00462 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.40 CO/C(=C/C1=CC=CC=C1)/C S722170 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.40 CO/C(=N/C1=CC=CC=C1)/[O-] R466441 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.40 COC(=N)CC1=CC=CC=C1 S671398 [0,1,0,0,0,0|2,0,0]=3 168 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.40 COC(=O)CC1=CN=CC=C1 S363855 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.40 CSC(=N)NC1=CC=CC=C1 S530859 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.40 CSC(=S)NC1=CC=CC=C1 PH004233 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 BOG00118 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.40 N/C(=N\O)/CC1=CC=CC=C1 CDS003635 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.91 C1(C=CCC=C1)COC(=O)C T175498 [0,1,0,0,0,0|0,0,3]=4 181 B11R1.91 C=C(C)CNC1=CC=CC=C1 S352047 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.91 C=C(C)CSC1=CC=CC=C1 S614203 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.91 CC(=O)CSC1=CC=CC=C1 PH011676 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.91 CC(=O)NCC1=NC=CC=C1 EME00285 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.91 CC(=O)OCC1=CC=NC=C1 PH011000 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.91 CC(C)NCC1=CC=CN=C1 CBR00082 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,1,0,0,0,0|0,0,0]=1 192 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 R428108 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.91 CN(C)/C=N/C1=CC=CC=C1 S361119 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.91 CN(O)CCC1=CC=NC=C1 PH008939 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.91 CS(=O)CCC1=CC=CC=N1 PH013755 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.91 NC(=O)OCC1=CN=CC=C1 PH007236 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,0,0,0,0|1,1,1]=4 206 B11R1.91 O=P(O)OCC1=CC=CC=C1 S435015 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 S366137 [0,1,0,0,0,0|3,0,0]=4 208 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 209 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|2,0,1]=4 210 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,1,0,0|3,0,0]=4 211 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|3,0,0]=4 212 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|2,0,1]=4 213 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|2,0,1]=4 214 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|1,0,0]=2 215 B11R2.20 C1=CC=C2N=CNCC2=C1 PH008283 [0,0,0,1,0,0|2,0,1]=4 216 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,0,0,1,0,0|3,0,0]=4 218 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,0,0,1,0,0|3,0,0]=4 219 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,0,0,1,0,0|3,0,0]=4 220 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,1,0,0|3,0,0]=4 221 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,1,0,0|2,0,1]=4 222 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,0,1,0,0|1,0,0]=2 224 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,0,0,1,0,0|3,0,0]=4 226 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,0,0,0,1,0|2,0,0]=3 227 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,0,0,0,1,0|2,0,0]=3 228 B9R1.12 CCNCC1=NC=CS1 CDS012234 [0,0,0,0,1,0|3,0,0]=4 229 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,0,0,0,1,0|3,0,0]=4 230 B9R1.12 NCCCN1C=CC=C1 CDS020841 [0,0,0,0,1,0|3,0,0]=4 231 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 232 B8R1.2 C1(C=CCC=C1)CO T175528 [2,0,0,0,0,0|0,0,2]=4 233 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|0,0,2]=4 234 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|0,0,2]=4 235 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|0,0,2]=4 236 B8R1.2 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 237 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,0]=3 239 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,1]=4 241 B8R1.2 OCC1=CC=CN=N1 CDS015970 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 243 B10R0.74 C(=O)/C(=C/C=C/CCCC)/C S881708 [0,1,1,0,0,0|2,0,0]=4 244 B10R1.1 C=COC1=CC=C(C=C1)N CDS001792 [1,1,0,0,0,0|0,0,2]=4 245 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.1 CCC[N+]1=CC=C(C=C1)C S635588 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.1 CCNC1=CC=C(C=C1)Cl PH011437 [1,1,0,0,0,0|1,0,0]=3 250 B10R1.1 CCOC1=CC=C(C=C1)F S362093 [1,1,0,0,0,0|0,0,0]=2 251 B10R1.1 CCOC1=CC=C(C=C1)N S566292 [1,1,0,0,0,0|0,0,0]=2 252 B10R1.1 CCOC1=NC=C(C=C1)N PH010489 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.1 CCOC1=NC=C(C=N1)Br SYX00297 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.1 CCOC1=NN=C(C=C1)Cl T160105 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.1 CCSC1=CC=C(C=C1)C S832812 [1,1,0,0,0,0|0,1,0]=3 256 B10R1.1 CCSC1=CC=C(C=C1)N CBR00879 [1,1,0,0,0,0|0,1,0]=3 257 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.1 COCC1=CC=C(C=C1)O S392596 [1,1,0,0,0,0|0,0,0]=2 260 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [1,1,0,0,0,0|0,1,0]=3 261 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [1,1,0,0,0,0|0,1,0]=3 262 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.1 [C-]#[N+]CC1=CC=C(C=C1)F PH015018 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|2,0,0]=4 266 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|0,0,0]=2 270 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [1,1,0,0,0,0|1,0,0]=3 271 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|0,1,0]=3 272 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|0,1,0]=3 276 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.4 NCCN1C=CC=CC1=O PH019084 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.4 NCCN1C=CC=CC1=O T300829 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.10 C(=O)CC1=CC=CC(=C1)F CDS021826 [1,1,0,0,0,0|1,0,1]=4 283 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|2,0,0]=4 284 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [1,1,0,0,0,0|0,0,0]=2 287 B10R1.10 CCNC1=CC=CC(=C1)O PH010496 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.10 CCOC1=CC(=CC=N1)Br CDS009065 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.10 CCOC1=NC(=CC=C1)Cl S446335 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.10 CCOC1=NC=CC(=O)N1 PH009485 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.10 CCSC1=CC=CC(=C1)Br SYX00287 [1,1,0,0,0,0|0,1,0]=3 292 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [1,1,0,0,0,0|2,0,0]=4 293 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.10 CNNC1=CC=CC(=C1)Br PH012299 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.10 COCC1=CC=CC(=N1)C S352160 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [1,1,0,0,0,0|0,1,0]=3 297 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.10 O=CCC1=CC(=CC=C1)Cl CDS007911 [1,1,0,0,0,0|1,0,1]=4 301 B10R1.10 [C-]#[N+]CC1=CC=CC(=C1)Cl CDS008970 [1,1,0,0,0,0|1,0,1]=4 302 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [1,1,0,0,0,0|0,0,1]=3 303 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [1,1,0,0,0,0|0,1,1]=4 315 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [1,1,0,0,0,0|2,0,0]=4 320 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [1,1,0,0,0,0|0,0,1]=3 323 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [1,1,0,0,0,0|2,0,0]=4 328 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [1,1,0,0,0,0|2,0,0]=4 335 B10R1.11 CCCC(N)C1=CC=CS1 CBR00906 [0,1,0,0,1,0|2,0,0]=4 336 B10R1.11 CCOC(=O)C1=CC=CN1 CDS000975 [0,1,0,0,1,0|1,0,1]=4 337 B10R1.29 CCOCN1C=CN=C1Br CDS020909 [0,1,0,0,1,0|2,0,0]=4 338 B12R1.1564 CCOC(=O)N1C=CC=CC=C1 T281778 [0,1,0,0,0,1|1,0,1]=4 339 B12R1.1 BrCCCOC1=CC=C(C=C1)Br PH000245 [0,2,0,0,0,0|2,0,0]=4 340 B12R1.1 C/C=C/CNC1=CC=C(C=C1)C S344818 [0,2,0,0,0,0|1,0,1]=4 341 B12R1.1 CC1=CC=C(C=C1)CCCCO JRD0946 [0,2,0,0,0,0|1,0,0]=3 342 B12R1.1 CC1=CC=C(C=C1)OCCCBr PH011050 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [0,2,0,0,0,0|1,0,1]=4 344 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.1 CCCCOC1=CC=C(C=N1)N S357502 [0,2,0,0,0,0|2,0,0]=4 346 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [0,2,0,0,0,0|1,0,0]=3 348 B12R1.1 CNCCOC1=CC=C(C=C1)C PH012059 [0,2,0,0,0,0|2,0,0]=4 349 B12R1.1 ClCCCSC1=CC=C(C=C1)Br S799203 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.1 ClCCCSC1=CC=C(C=C1)Cl S803723 [0,2,0,0,0,0|2,0,0]=4 351 B12R1.1 ClCCNCC1=CC=C(C=C1)Cl S377902 [0,2,0,0,0,0|1,0,0]=3 352 B12R1.1 ClCCSCC1=CC=C(C=C1)Cl S637939 [0,2,0,0,0,0|0,1,0]=3 353 B12R1.1 ClCNCNC1=CC=C(C=C1)I R433829 [0,2,0,0,0,0|2,0,0]=4 354 B12R1.1 FC1=CC=C(C=C1)OCCCBr PH011047 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.1 NCCCOC1=CC=C(C=C1)Cl PH011995 [0,2,0,0,0,0|2,0,0]=4 356 B12R1.1 OCC/N=C/C1=CC=C(C=C1)Cl S753289 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.1 OCC/N=C/C1=CC=C(C=C1)O S691011 [0,2,0,0,0,0|1,0,1]=4 358 B12R1.1 OCCCCC1=CC=C(C=C1)Br JRD0948 [0,2,0,0,0,0|1,0,0]=3 359 B12R1.1 OCCCCC1=CC=C(C=C1)Cl JRD0947 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.1 OCCCCC1=CC=C(C=C1)F JRD0949 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.1 OCCCOC1=CC=C(C=C1)F PH016159 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.1 OCCNCC1=CC=C(C=C1)Cl S378291 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.1 OCCSCC1=CC=C(C=C1)Cl S614092 [0,2,0,0,0,0|0,1,0]=3 364 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [0,2,0,0,0,0|1,0,1]=4 366 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [0,2,0,0,0,0|1,0,1]=4 368 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [0,2,0,0,0,0|1,0,0]=3 372 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,2,0,0,0,0|1,0,1]=4 376 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [0,2,0,0,0,0|0,0,1]=3 377 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [0,2,0,0,0,0|0,0,1]=3 378 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [0,2,0,0,0,0|1,0,1]=4 379 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [0,2,0,0,0,0|1,0,1]=4 380 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [0,2,0,0,0,0|2,0,0]=4 381 B12R1.21 CC(=CCC1=CC=C(C=C1)O)C S369632 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.21 CC(=O)NCC1=CC=C(C=C1)Cl PH009464 [0,2,0,0,0,0|1,0,1]=4 383 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C S528498 [0,2,0,0,0,0|0,0,1]=3 384 B12R1.21 CC(C)/N=C/C1=CC=C(C=C1)Cl PH008253 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.21 CC(C)CCC1=CC=C(C=C1)O S511803 [0,2,0,0,0,0|1,0,0]=3 386 B12R1.21 CC(C)COC1=CC=C(C=C1)N CDS008265 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.21 CC(C)NCC1=CC=C(C=C1)Cl PH011090 [0,2,0,0,0,0|1,0,0]=3 388 B12R1.21 CC1=CC=C(C=C1)OCC(C)O PH015463 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.21 CN(C)CCC1=CC=C(C=C1)O S452254 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.49 CC1=CC=C(C=C1)CC(O)CCl S838438 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Br S695114 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C S825255 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.49 CCC(=O)NC1=CC=C(C=C1)Cl S790958 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.49 CCC(=O)NC1=CC=C(C=C1)F S397512 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.49 CCC(=O)NC1=CC=C(C=C1)I S916560 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.49 CCC(=O)NC1=CC=C(C=C1)N R703206 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.49 CCC(=S)NC1=CC=C(C=C1)Cl S390224 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.49 CNC(C)CC1=CC=C(C=C1)O S411558 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br PH005153 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl S734578 [0,2,0,0,0,0|2,0,0]=4 401 B12R1.49 COC(=O)CC1=CC=C(C=C1)N CDS002964 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.69 OCCCC1=C(C=C(C=C1)Cl)Cl PH017193 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.71 CCCCC1=CC=C(C=C1)CN CDS001572 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.71 CCNCC1=CC=C(C=C1)OC PH009847 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.385 CCCCC1=CC(=C(C=C1)N)C CDS010548 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.385 CCCOC1=CC=C(C(=C1)C)N CDS012022 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.385 CCNCC1=CC(=C(C=C1)Cl)Cl PH010574 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.3 CCCN(N=O)C1=CC=CC=C1 PH007170 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.3 CCN[C@H](CO)C1=CC=CC=C1 PH015092 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.3 COC(CCCl)C1=CC=CC=C1 S352489 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.3 OCCC(CO)C1=CC=CC=C1 PH007446 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.17 CCCC(O)C1=C[N+](=CC=C1)[O-] S668400 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [0,2,0,0,0,0|1,0,1]=4 416 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [0,2,0,0,0,0|1,0,1]=4 417 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O CDS000481 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.30 C#CCNC(C)C1=CC=CC=C1 CDS017603 [0,2,0,0,0,0|1,0,1]=4 420 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [0,2,0,0,0,0|0,0,2]=4 421 B12R1.30 C=CCON(C)C1=CC=CC=C1 S663255 [0,2,0,0,0,0|1,0,1]=4 422 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [0,2,0,0,0,0|0,0,0]=2 423 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [0,2,0,0,0,0|0,1,0]=3 426 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [0,2,0,0,0,0|0,1,1]=4 427 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [0,2,0,0,0,0|0,1,1]=4 428 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [0,2,0,0,0,0|0,0,1]=3 431 B12R1.30 OCC#CC(O)C1=CC=CC=C1 PH007064 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [0,2,0,0,0,0|1,0,1]=4 433 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,2,0,0,0,0|2,0,0]=4 440 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 PH018434 [0,2,0,0,0,0|2,0,0]=4 441 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [0,2,0,0,0,0|2,0,0]=4 442 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [0,2,0,0,0,0|2,0,0]=4 443 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.34 NC(CO)C(Cl)C1=CC=CC=C1 PH013300 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.39 CCCS(=O)(=O)C1=CC=CC=C1 PH006990 [0,2,0,0,0,0|2,0,0]=4 451 B12R1.39 CCNS(=O)(=O)C1=CC=CC=C1 PH009839 [0,2,0,0,0,0|2,0,0]=4 452 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,2,0,0,0,0|1,0,1]=4 454 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [0,2,0,0,0,0|1,0,1]=4 455 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,2,0,0,0,0|0,0,1]=3 456 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [0,2,0,0,0,0|1,0,0]=3 461 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [0,2,0,0,0,0|0,0,1]=3 463 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1C R179035 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [0,2,0,0,0,0|1,0,1]=4 465 B12R1.121 CCCOC1=CC=CC=C1CO CDS022874 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.121 COC1=C(C=CC=C1)CCCO S97595 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.121 COC1=CC=CC=C1CCCBr PH009801 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.121 COC1=CC=CC=C1CCCN CDS008328 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.125 CC(=O)OCC1=C(C=NC=C1)C T161446 [0,2,0,0,0,0|1,0,1]=4 470 B12R1.125 CC(=O)OCC1=C(C=NC=C1)Cl T161071 [0,2,0,0,0,0|1,0,1]=4 471 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.267 BrCCCOC1=C(C=CC=C1)Br PH011151 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.267 C/C=C/CSC1=CC=CC=C1C S746231 [0,2,0,0,0,0|1,0,1]=4 476 B12R1.267 CC1=CC=CC=C1OCCCBr PH000372 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.267 CCCCOC1=CC=CC=C1C S518476 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.267 CCCCOC1=CC=CC=C1N CDS001693 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.267 CCCCON1C=CC=CC1=O T300780 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.267 CCCNCC1=CC=CC=C1N PH010097 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.267 CCO/N=C\C1=C(C=NC=C1)C T301175 [0,2,0,0,0,0|1,0,1]=4 482 B12R1.267 CNCCOC1=CC=CC=C1C PH012062 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.267 COCCOC1=C(C=CC=C1)N CBR00261 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.267 ClC1=C(C=CC=C1)OCCCBr PH000248 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.371 CCC(=O)NC1=C(C=CC=C1)Cl R131482 [0,2,0,0,0,0|2,0,0]=4 486 B12R1.371 CCN(N)CC1=C(C=CC=C1)Br PH000635 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.371 COC(=O)CC1=C(C=CC=C1)Cl EME00173 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.371 COC(=O)CC1=CC=CC=C1Br CDS003546 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.371 COC(=O)CC1=CC=CC=C1F VBP00089 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.374 CCCOC1=CC(=CC=C1N)C CDS012021 [0,2,0,0,0,0|2,0,0]=4 491 B12R1.1631 NCCCC1=C(C=CC=C1F)F CDS022487 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.28 CC1=CC(=CC=C1)SCCCCl S799289 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.28 CC1=CC=CC(=C1)OCCCBr PH000366 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.28 CCCCOC1=CC=CC(=C1)N CBR00368 [0,2,0,0,0,0|1,0,0]=3 495 B12R1.28 CCCCOC1=CC=CC(=C1)O PH015345 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.28 CCOCCC1=CC=CC(=N1)C S361399 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.28 COCCOC1=CC(=CC=C1)N CBR01420 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.28 ClC1=CC(=CC=C1)OCCCBr PH000250 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.28 NCCCOC1=CC=CC(=C1)Cl CDS002045 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Br S700290 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.50 CCC(=O)NC1=CC(=CC=C1)Cl R131474 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.382 CCCOC1=CC=CC(=C1)C=O CDS007421 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.382 COC1=CC(=CC=C1)CCCN CBR01749 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.382 COC1=CC(=CC=C1)CCCO PH016113 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.8 BrCCCCCC1=CC=CC=C1 PH016116 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.8 BrCCCCSC1=CC=CC=C1 PH010302 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.8 C#CCCOCC1=CC=CC=C1 T269069 [0,2,0,0,0,0|0,0,0]=2 508 B12R1.8 C(=N/NC1=CC=CC=C1)\CCC S848905 [0,2,0,0,0,0|1,0,1]=4 509 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.8 CCCCCOC1=CN=CC=C1 S417505 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.8 CCCNCCC1=CC=CC=C1 CBR00107 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.8 CCCNCCC1=NC=CC=C1 VBP00004 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.8 CCCON=CC1=CC=CC=N1 S355178 [0,2,0,0,0,0|1,0,1]=4 515 B12R1.8 CCCON=CC1=CN=CC=C1 S355186 [0,2,0,0,0,0|1,0,1]=4 516 B12R1.8 CCNCCCC1=CC=CC=C1 PH014136 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.8 CCNCCOC1=CC=CC=C1 CBR00951 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.8 CNCCNCC1=CC=CC=C1 PH010277 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [0,2,0,0,0,0|0,0,0]=2 520 B12R1.8 ClCCO/N=C\C1=CC=NC=C1 T161683 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.8 N#CCCCCC1=CC=CC=C1 PH002674 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.8 N#CCCCOC1=CC=CC=C1 PH010897 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.8 N#CCCCSC1=CC=CC=C1 S620181 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.8 N#CCCOCC1=CC=CC=C1 ANV00259 [0,2,0,0,0,0|0,0,0]=2 525 B12R1.8 N#CCCSCC1=CC=CC=C1 S614068 [0,2,0,0,0,0|0,1,0]=3 526 B12R1.8 N#CCOCCC1=CC=CC=C1 S148911 [0,2,0,0,0,0|0,0,1]=3 527 B12R1.8 NNCCCCC1=CC=CC=C1 PH018955 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.8 OCCCNCC1=CC=CC=C1 S376310 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.8 OCCCNCC1=CC=CC=N1 S355275 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.8 OCCCSCC1=CC=CC=C1 T166324 [0,2,0,0,0,0|0,1,0]=3 531 B12R1.8 OCCSCCC1=NC=CC=C1 PH011432 [0,2,0,0,0,0|1,1,0]=4 532 B12R1.8 S=C=NCCCC1=CC=CC=C1 CDS020794 [0,2,0,0,0,0|1,0,1]=4 533 B12R1.27 C=CC(C)CSC1=CC=CC=C1 T215546 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.27 CC(C#N)CSC1=CC=CC=C1 S614289 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.27 CCC(=O)/C=C/C1=CC=CC=C1 PH002923 [0,2,0,0,0,0|1,0,1]=4 536 B12R1.27 CCC(=O)CCC1=CC=CC=C1 S570338 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.27 CCC(=O)NNC1=CC=CC=C1 S557188 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.27 CCC(=O)O[Hg]C1=CC=CC=C1 S522473 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.27 CNC(=O)OCC1=CN=CC=C1 PH009398 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.27 CNC(=S)NCC1=CC=CC=C1 R278815 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.27 COC(=O)NCC1=CC=CC=C1 S594148 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.27 CSC(=S)OCC1=CC=CC=C1 S863475 [0,2,0,0,0,0|0,0,1]=3 543 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,2,0,0,0,0|0,0,1]=3 544 B12R1.27 NCC(O)COC1=CC=CC=C1 PH010102 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 CBR01981 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 PH016229 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.27 OC(CCl)CSC1=CC=CC=C1 PH009388 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.27 OCC(O)CSC1=CC=CC=C1 S614637 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.32 C=CCC(O)CC1=CC=CC=C1 PH010446 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.32 C=CCN(C)CC1=CC=CC=C1 S879746 [0,2,0,0,0,0|1,0,1]=4 551 B12R1.32 C=CCN(N)CC1=CC=CC=C1 PH001229 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.32 CC#CC(O)CC1=CC=CC=C1 S935468 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.32 CC(CCN)SC1=CC=CC=C1 S117501 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.32 CCCC(O)CC1=CC=CC=C1 R425753 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.32 CCNC(=S)NC1=CC=CC=C1 S599166 [0,2,0,0,0,0|1,0,1]=4 558 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 L497142 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 S343471 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.32 CCOC(=O)NC1=CC=CC=C1 S714615 [0,2,0,0,0,0|0,0,1]=3 561 B12R1.32 CCOC(=O)NC1=CC=CC=N1 PH000186 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.32 CCOC(=O)NC1=CN=CC=C1 EME00390 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.32 CCOC(=O)OC1=CC=CC=C1 S509043 [0,2,0,0,0,0|0,0,1]=3 564 B12R1.32 CCOC(=S)NC1=CC=CC=C1 S412716 [0,2,0,0,0,0|0,0,1]=3 565 B12R1.32 CN(CCCl)CC1=CC=CC=C1 S427179 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 PH014668 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 T281719 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.252 CC(=O)CCSC1=CC=CC=C1 S635030 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.252 CC(=O)CSCC1=CC=CC=C1 S646199 [0,2,0,0,0,0|0,1,0]=3 572 B12R1.252 CC(=O)NCCC1=CC=CC=C1 S581887 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.252 CC(=O)OCCC1=NC=CC=C1 PH006794 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.252 CC(=O)O[Hg]CC1=CC=CC=C1 S881120 [0,2,0,0,0,0|0,0,1]=3 575 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.252 CC(C)NCCC1=CC=CC=N1 PH010347 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [0,2,0,0,0,0|1,0,0]=3 581 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [0,2,0,0,0,0|0,0,0]=2 583 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [0,2,0,0,0,0|1,0,1]=4 584 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.252 NC(=O)CCCC1=CC=CC=C1 S669202 [0,2,0,0,0,0|1,0,1]=4 586 B12R1.252 NC(=O)CSCC1=CC=CC=C1 S614386 [0,2,0,0,0,0|0,1,1]=4 587 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 PH000271 [0,2,0,0,0,0|1,0,1]=4 588 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.43 CC(C)C(=O)NC1=CC=CC=C1 S799874 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.43 CC(C)C(=O)OC1=CC=CC=C1 S939773 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.43 CC(Cl)C(=O)NC1=CC=CC=C1 PH011659 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,2,0,0,0,0|2,0,0]=4 593 B12R1.118 CCN(CC)CC1=CC=CC=C1 R235946 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.118 CCN(CC)CC1=CC=CC=N1 S345962 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 PH008400 [0,2,0,0,0,0|2,0,0]=4 596 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 PH007325 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.194 CCS(=O)(=O)CC1=CC=CC=C1 PH000278 [0,2,0,0,0,0|0,1,0]=3 600 B12R1.194 CNS(=O)(=O)CC1=CC=CC=C1 PH011278 [0,2,0,0,0,0|1,1,0]=4 601 B12R1.194 O=S(=O)(CCl)CC1=CC=CC=C1 T163902 [0,2,0,0,0,0|1,1,0]=4 602 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [0,2,0,0,0,0|0,0,0]=2 603 B12R1.891 CC(C)(O)/C=C/C1=CC=CC=C1 S881074 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [0,2,0,0,0,0|1,1,0]=4 605 B10R1.78 C=C1C=CC=CCCCC1 T211605 [0,0,1,1,0,0|1,0,0]=3 606 B10R1.78 O=C1C=CC=CCCCC1 T211648 [0,0,1,1,0,0|2,0,0]=4 607 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,1,0]=4 608 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|1,0,0]=3 609 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|1,0,1]=4 610 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [0,1,0,1,0,0|1,0,0]=3 611 B12R2.24 BrC1=CC=C2CCNCC2=C1 CDS020020 [0,1,0,1,0,0|1,0,0]=3 612 B12R2.24 BrC1=CC=C2CNCCC2=C1 CDS010128 [0,1,0,1,0,0|1,0,0]=3 613 B12R2.24 BrC1=CN=C2CCNCC2=C1 PHB00087 [0,1,0,1,0,0|2,0,0]=4 614 B12R2.24 CC1=CC2=C(CCCC2)N=C1 R279013 [0,1,0,1,0,0|2,0,0]=4 615 B12R2.24 CC1=CC=C2CCNCC2=C1 MNO000106 [0,1,0,1,0,0|1,0,0]=3 616 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,1,0,1,0,0|2,0,0]=4 617 B12R2.24 ClC1=CC=C2CNCCC2=C1 CDS020263 [0,1,0,1,0,0|1,0,0]=3 618 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,1,0,1,0,0|2,0,0]=4 620 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.24 OC1=CC=C2CCCNC2=C1 CDS019987 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,1,0,1,0,0|1,0,0]=3 624 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.132 NC1CCC2=CC=C(C=C12)Cl CDS009346 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.2302 FC1=CC=C(C=C1)C2CNC2 CDS020373 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.2 C1=CC(=CC=N1)C2CCCN2 CDS006470 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.2 C1=CC(=CC=N1)C2OCCO2 PH000070 [0,1,0,1,0,0|1,0,0]=3 631 B12R2.2 C1=CC=C(C=C1)C2=CCCC2 L170011 [0,1,0,1,0,0|1,0,1]=4 632 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S109770 [0,1,0,1,0,0|1,0,0]=3 633 B12R2.2 C1=CC=C(C=C1)C2CCCC2 S549312 [0,1,0,1,0,0|1,0,0]=3 634 B12R2.2 C1=CC=C(C=C1)C2NCCS2 S204609 [0,1,0,1,0,0|0,1,0]=3 635 B12R2.2 C1=CC=C(C=C1)C2OCCS2 S653845 [0,1,0,1,0,0|0,0,0]=2 636 B12R2.2 C1=CC=C(C=C1)[C@H]2CCNC2 CDS009943 [0,1,0,1,0,0|1,0,0]=3 637 B12R2.2 C1=CC=C(N=C1)C2CCCN2 MNO000103 [0,1,0,1,0,0|2,0,0]=4 638 B12R2.2 C1=CN=C(C=C1)N2CCCC2 EME00323 [0,1,0,1,0,0|2,0,0]=4 639 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [0,1,0,1,0,0|1,0,0]=3 641 B12R2.1081 CC1=CC=CC2=C1NCCC2 CDS013606 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|1,0,1]=4 643 B12R2.1081 NC1=C2CCCNC2=CC=C1 PH003531 [0,1,0,1,0,0|2,0,0]=4 644 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [0,1,0,1,0,0|1,0,0]=3 645 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|0,0,1]=3 646 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,1,0,0|1,0,1]=4 648 B12R2.1081 OC1=CC=CC2=C1NCCC2 CDS019675 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.1081 OC1=NC=CC2=C1CCCC2 PH009108 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|0,0,1]=3 652 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 CDS015636 [0,1,0,1,0,0|1,0,0]=3 653 B12R2.32 CC[N+]1=CC2=CC=CC=C2O1 S617024 [0,1,0,1,0,0|1,0,1]=4 654 B12R2.32 CNC1CC2=CC=CC=C2C1 CBR01430 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,1,0,1,0,0|1,0,1]=4 656 B12R2.612 CC1=CC=C2C(=C1)CCC2N CDS003487 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|1,0,1]=4 658 B12R2.2313 ClC1=CC=CC(=C1)C2CNC2 CDS020411 [0,1,0,1,0,0|2,0,0]=4 659 B12R2.2313 NC1=CC(=CC=N1)C2CCC2 CDS019075 [0,1,0,1,0,0|2,0,0]=4 660 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 S32981 [0,1,0,1,0,0|1,0,1]=4 661 B12R2.1 NNC1CCC2=CC=CC=C12 PH019558 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 CBR02374 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.2057 C1=CC=C(C=C1)CNC2CC2 CDS004803 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.2057 C1=CN=CC(=C1)CNC2CC2 CBR02375 [0,1,0,1,0,0|2,0,0]=4 665 B12R2.18 CC1CC2=C(N1C)C=CC=C2 S786780 [0,1,0,1,0,0|2,0,0]=4 666 B12R2.18 NC1C2=C(C=CC=C2)CC1Cl S988677 [0,1,0,1,0,0|2,0,0]=4 667 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [0,1,0,1,0,0|2,0,0]=4 668 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.8 CCCN1C=CC=C1 PH010280 [1,0,0,0,1,0|1,0,0]=3 670 B8R1.8 CNCC1=CC=CS1 CDS004831 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.8 CNCC1=CC=CS1 PH012021 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.8 CNCC1=CSC=C1 PH015792 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.8 NCCC1=CC=CO1 CBR02448 [1,0,0,0,1,0|2,0,0]=4 674 B8R1.8 OCCN1C=CC=C1 CDS000018 [1,0,0,0,1,0|2,0,0]=4