0 B12R2.27 N#CC1C[C@@H]1C2=CC=CC=C2 S446866 [0,1,0,0,0,0|0,0,1]=2 1 B12R2.92 BrC1(CC1C2=CC=CC=C2)Br L168734 [0,1,0,0,0,0|1,0,0]=2 2 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,1,0,0,0|1,0,2]=4 3 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,0,1,0,0,0|1,0,0]=2 4 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,1,0,0,0|1,0,0]=2 5 B10R1.15 CCB(N)C1=CC=CC=C1 S320773 [0,0,1,0,0,0|3,0,0]=4 6 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,0,1,0,0,0|3,0,0]=4 7 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,0,1,0,0,0|3,0,0]=4 8 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.15 CCN(C)C1=CC=CC=C1 R750956 [0,0,1,0,0,0|2,0,0]=3 10 B10R1.15 CCN(N)C1=CC=CC=C1 PH010945 [0,0,1,0,0,0|3,0,0]=4 11 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [0,0,1,0,0,0|3,0,0]=4 12 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,1,0,0,0|2,0,0]=3 13 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,1,0,0,0|2,0,0]=3 14 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,0,1,0,0,0|2,0,0]=3 15 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,0,1,0,0,0|2,0,0]=3 16 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,0,1,0,0,0|1,0,0]=2 19 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,0,1,0,0,0|2,0,0]=3 22 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,0,1,0,0,0|2,0,0]=3 23 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,0,1,0,0,0|0,0,2]=3 24 B10R1.17 C(=O)CSC1=CC=CC=C1 T216623 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.17 C=CCSC1=CC=CC=C1 S614246 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.17 CCCC[N+]1=CC=CC=C1 CDS000353 [0,0,1,0,0,0|2,0,0]=3 27 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,0,1,0,0,0|2,0,0]=3 33 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,0,1,0,0,0|1,0,2]=4 34 B10R1.17 N#CCNC1=CC=CC=C1 CDS003237 [0,0,1,0,0,0|1,0,2]=4 35 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [0,0,1,0,0,0|2,0,0]=3 36 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,0,1,0,0,0|1,0,0]=2 37 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,0,1,0,0,0|2,0,0]=3 38 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,0,1,0,0,0|3,0,0]=4 39 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,0,1,0,0,0|1,0,0]=2 40 B10R1.18 BrC(Br)[Hg]C1=CC=CC=C1 S110507 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,0,1,0,0,0|1,0,1]=3 42 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,0,1,0,0,0|2,0,1]=4 43 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,0,1,0,0,0|2,0,1]=4 44 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [0,0,1,0,0,0|2,0,1]=4 46 B10R1.18 CC(C)NC1=NC=CC=C1 EME00318 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,0,1,0,0,0|1,0,0]=2 48 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,0,1,0,0,0|2,0,0]=3 49 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,0,1,0,0,0|2,0,0]=3 50 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,0,1,0,0,0|1,0,0]=2 52 B10R1.18 C[N+](=CC1=CC=CC=C1)[O-] S387916 [0,0,1,0,0,0|2,0,1]=4 53 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,0,1,0,0,0|2,0,1]=4 54 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [0,0,1,0,0,0|2,0,1]=4 55 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [0,0,1,0,0,0|3,0,0]=4 56 B9R1.6 CC(Br)C1=NC=CC=C1 CDS022641 [1,0,1,0,0,0|2,0,0]=4 57 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,1,0,0,0|1,0,0]=3 58 B9R1.6 CC(N)C1=CC=CN=C1 BOG00119 [1,0,1,0,0,0|1,0,0]=3 59 B9R1.6 CC(N)C1=CC=CN=C1 CDS005298 [1,0,1,0,0,0|1,0,0]=3 60 B9R1.6 CC(S)C1=CC=CC=C1 CDS000677 [1,0,1,0,0,0|1,0,0]=3 61 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,1,0,0,0|1,0,0]=3 62 B9R1.6 C[Te+](C)C1=CC=CC=C1 S14878 [1,0,1,0,0,0|1,0,0]=3 63 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [1,0,1,0,0,0|2,0,0]=4 64 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,1,0,0,0|1,0,0]=3 65 B9R1.8 CCOC1=CC=CC=N1 S442267 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,1,0,0,0|2,0,0]=4 67 B9R1.8 COCC1=CC=CC=N1 S363146 [1,0,1,0,0,0|2,0,0]=4 68 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [1,0,1,0,0,0|2,0,0]=4 70 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [1,0,1,0,0,0|1,0,0]=3 71 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [1,0,1,0,0,0|1,0,0]=3 72 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,1,0,0,0|1,0,0]=3 73 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [1,0,1,0,0,0|2,0,0]=4 76 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,1,0,0,0|2,0,0]=4 77 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,1,0,0,0|2,0,0]=4 78 B11R1.7 CC(C)(CCl)[N+]1=CC=CC=C1 R788120 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [0,1,1,0,0,0|1,0,0]=3 80 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [0,1,1,0,0,0|1,0,0]=3 81 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [0,1,1,0,0,0|1,0,0]=3 82 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [0,1,1,0,0,0|1,0,0]=3 83 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [0,1,1,0,0,0|1,1,0]=4 85 B11R1.12 CCC(CC)C1=CC=CC=C1 S109592 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.12 CCC(CC)C1=CC=CC=C1 S37940 [0,1,1,0,0,0|1,0,0]=3 87 B11R1.12 CCC(CC)C1=CC=CC=N1 S546259 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.12 CCC(NC)C1=CC=CC=C1 CDS000205 [0,1,1,0,0,0|1,0,0]=3 89 B11R1.12 CCC(NC)C1=CC=CN=C1 CDS021076 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [0,1,1,0,0,0|1,0,1]=4 91 B11R1.16 C=CCN(C)C1=CC=CC=C1 S438677 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.16 CC(/C=N/O)C1=CC=CC=C1 S619094 [0,1,1,0,0,0|0,0,2]=4 93 B11R1.16 CC(N=C=S)C1=CC=CC=C1 S645478 [0,1,1,0,0,0|1,0,1]=4 94 B11R1.16 CC(N=[N+]=[N-])C1=CC=CC=C1 PH018363 [0,1,1,0,0,0|1,0,1]=4 95 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [0,1,1,0,0,0|1,0,0]=3 96 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [0,1,1,0,0,0|0,0,0]=2 98 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [0,1,1,0,0,0|1,0,0]=3 99 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [0,1,1,0,0,0|1,0,0]=3 100 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.16 ONCC(O)C1=CC=CC=C1 S662003 [0,1,1,0,0,0|1,0,0]=3 102 B11R1.22 BrCC(Br)C1=CC=C(C=C1)Br S568422 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,1,0,0,0|1,0,1]=4 104 B11R1.22 CCC(Cl)C1=CC=C(C=C1)C S722235 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.22 CCC(N)C1=CC=C(C=C1)C CBR02307 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.22 CCC(N)C1=CC=C(C=C1)F CDS005688 [0,1,1,0,0,0|2,0,0]=4 107 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.22 CCC(O)C1=CC=C(C=C1)Br S434892 [0,1,1,0,0,0|2,0,0]=4 109 B11R1.22 CCC(O)C1=CC=C(C=C1)Cl S434884 [0,1,1,0,0,0|2,0,0]=4 110 B11R1.22 CCC(O)C1=CC=C(C=C1)F S434876 [0,1,1,0,0,0|2,0,0]=4 111 B11R1.22 CC[C@@H](O)C1=CC=C(C=C1)Cl PH018690 [0,1,1,0,0,0|2,0,0]=4 112 B11R1.22 CC[C@H](O)C1=CC=C(C=C1)Cl PH018691 [0,1,1,0,0,0|2,0,0]=4 113 B11R1.22 CNC(C)C1=CC=C(C=C1)Cl CBR02474 [0,1,1,0,0,0|2,0,0]=4 114 B11R1.22 NC(CF)C1=CC=C(C=C1)F CVT00026 [0,1,1,0,0,0|2,0,0]=4 115 B11R1.22 NC(CO)C1=CC=C(C=C1)Br CDS023854 [0,1,1,0,0,0|2,0,0]=4 116 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,1,0,0,0|1,0,1]=4 117 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,1,0,0,0|1,0,1]=4 118 B11R1.23 CC[C@@H](O)C1=CC(=CC=C1)F PH018824 [0,1,1,0,0,0|2,0,0]=4 119 B11R1.23 CC[C@H](O)C1=CC(=CC=C1)F PH018897 [0,1,1,0,0,0|2,0,0]=4 120 B11R1.23 NC(CF)C1=CC(=CC=C1)Br CVT00033 [0,1,1,0,0,0|2,0,0]=4 121 B11R1.23 OC1=CC=CC(=C1)C(CN)O TMT00167 [0,1,1,0,0,0|1,0,0]=3 122 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [0,1,1,0,0,0|0,0,0]=2 123 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [0,1,1,0,0,0|0,0,0]=2 124 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [0,1,1,0,0,0|1,0,1]=4 125 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [0,1,1,0,0,0|0,0,1]=3 126 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,1,1,0,0,0|1,0,0]=3 127 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,1,1,0,0,0|2,0,0]=4 128 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [0,1,1,0,0,0|2,0,0]=4 129 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [0,1,1,0,0,0|1,0,0]=3 130 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [0,1,1,0,0,0|1,0,0]=3 131 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [0,1,1,0,0,0|1,0,0]=3 132 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [0,1,1,0,0,0|1,0,0]=3 133 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [0,1,1,0,0,0|1,0,0]=3 134 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [0,1,1,0,0,0|1,0,0]=3 135 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [0,1,1,0,0,0|1,0,1]=4 136 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [0,1,1,0,0,0|1,0,1]=4 137 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [0,1,1,0,0,0|1,0,0]=3 138 B11R1.222 CC[C@H](O)C1=CC=CC=C1F PH018898 [0,1,1,0,0,0|2,0,0]=4 139 B11R1.222 NCC(O)C1=CC=CC=C1Br CDS009497 [0,1,1,0,0,0|1,0,0]=3 140 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [0,1,1,0,0,0|2,0,0]=4 141 B11R1.1 CC1=CC=C(C=C1)CCNN PH018986 [0,1,1,0,0,0|1,0,0]=3 142 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [0,1,1,0,0,0|2,0,0]=4 143 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [0,1,1,0,0,0|1,0,0]=3 144 B11R1.1 CC1=CC=C(C=C1)SCCO S550264 [0,1,1,0,0,0|2,0,0]=4 145 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [0,1,1,0,0,0|1,0,0]=3 146 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [0,1,1,0,0,0|1,0,0]=3 147 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [0,1,1,0,0,0|2,0,0]=4 148 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [0,1,1,0,0,0|2,0,0]=4 149 B11R1.1 CCNCC1=CC=C(C=C1)Cl PH011023 [0,1,1,0,0,0|2,0,0]=4 150 B11R1.1 ClCCSC1=CC=C(C=C1)Cl S614041 [0,1,1,0,0,0|2,0,0]=4 151 B11R1.1 N#CCCC1=CC=C(C=C1)O PH011727 [0,1,1,0,0,0|0,0,2]=4 152 B11R1.1 NC1=CC=C(C=C1)NCCO TMT00030 [0,1,1,0,0,0|2,0,0]=4 153 B11R1.1 NCCCC1=CC=C(C=C1)F CDS009095 [0,1,1,0,0,0|0,0,0]=2 154 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [0,1,1,0,0,0|1,0,0]=3 155 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [0,1,1,0,0,0|1,0,0]=3 156 B11R1.1 NCCSC1=CC=C(C=C1)Cl L308153 [0,1,1,0,0,0|1,0,0]=3 157 B11R1.1 NNCCC1=CC=C(C=C1)F PH019072 [0,1,1,0,0,0|1,0,0]=3 158 B11R1.1 O=CCCC1=CC=C(C=C1)F CDS022638 [0,1,1,0,0,0|1,0,1]=4 159 B11R1.1 O=CCCC1=CC=C(C=C1)O CDS022892 [0,1,1,0,0,0|1,0,1]=4 160 B11R1.1 OCCCC1=CC=C(C=C1)Cl CDS003137 [0,1,1,0,0,0|1,0,0]=3 161 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [0,1,1,0,0,0|2,0,0]=4 162 B11R1.1 OCCSC1=CC=C(C=C1)Cl L308781 [0,1,1,0,0,0|2,0,0]=4 163 B11R1.1 [C-]#[N+]CCC1=CC=C(C=C1)F PH015031 [0,1,1,0,0,0|2,0,0]=4 164 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [0,1,1,0,0,0|1,0,0]=3 165 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [0,1,1,0,0,0|1,0,0]=3 166 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [0,1,1,0,0,0|2,0,0]=4 167 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [0,1,1,0,0,0|1,0,0]=3 168 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [0,1,1,0,0,0|1,0,0]=3 169 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [0,1,1,0,0,0|2,0,0]=4 170 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [0,1,1,0,0,0|2,0,0]=4 171 B11R1.17 COCCC1=CC=CC=C1Br S809608 [0,1,1,0,0,0|2,0,0]=4 172 B11R1.17 NC1=NC=CC=C1CCCO ADE000774 [0,1,1,0,0,0|2,0,0]=4 173 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [0,1,1,0,0,0|0,0,0]=2 174 B11R1.17 NCCCN1C=CC=CC1=O CBR01559 [0,1,1,0,0,0|1,0,0]=3 175 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [0,1,1,0,0,0|1,0,0]=3 176 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [0,1,1,0,0,0|1,0,0]=3 177 B11R1.17 OCCCC1=C(C=CN=C1)O ADE000771 [0,1,1,0,0,0|2,0,0]=4 178 B11R1.24 CC1=CC(=CC=C1)CCCN CBR00042 [0,1,1,0,0,0|0,0,0]=2 179 B11R1.24 CC1=CC(=CC=C1)OCCBr PH000370 [0,1,1,0,0,0|2,0,0]=4 180 B11R1.24 CC1=CC(=CC=C1)OCCO S538558 [0,1,1,0,0,0|2,0,0]=4 181 B11R1.24 CC1=CC(=NC=C1)NCCN PH015402 [0,1,1,0,0,0|2,0,0]=4 182 B11R1.24 CC1=CC=CC(=C1)CCNN PH019073 [0,1,1,0,0,0|1,0,0]=3 183 B11R1.24 CC1=CC=CC(=C1)OCCN R414271 [0,1,1,0,0,0|1,0,0]=3 184 B11R1.24 CCCOC1=CC=CC(=C1)N CDS001846 [0,1,1,0,0,0|2,0,0]=4 185 B11R1.24 ClC1=CC(=CC=C1)CCCBr PH011322 [0,1,1,0,0,0|1,0,0]=3 186 B11R1.24 N#CCCC1=CC(=CC=C1)Br CDS003023 [0,1,1,0,0,0|0,0,2]=4 187 B11R1.24 NC1=CC=CC(=C1)OCCO CBR00211 [0,1,1,0,0,0|2,0,0]=4 188 B11R1.24 NNCCC1=CC(=CC=C1)F PH019005 [0,1,1,0,0,0|1,0,0]=3 189 B11R1.24 OCCCC1=CC=CC(=C1)Cl PH002730 [0,1,1,0,0,0|1,0,0]=3 190 B11R1.24 OCCOC1=CC=CC(=C1)O CDS003378 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.28 C#CCCCC1=CC=CC=C1 CDS001437 [0,1,1,0,0,0|1,0,0]=3 192 B11R1.28 C#CCOCC1=CC=CC=C1 T268720 [0,1,1,0,0,0|1,0,1]=4 193 B11R1.28 C=CCNCC1=CC=CC=C1 ANV00005 [0,1,1,0,0,0|1,0,1]=4 194 B11R1.28 C=CCNCC1=CC=CC=C1 CBR01347 [0,1,1,0,0,0|1,0,1]=4 195 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [0,1,1,0,0,0|1,0,1]=4 196 B11R1.28 CCCCOC1=NC=CC=C1 S434299 [0,1,1,0,0,0|2,0,0]=4 197 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [0,1,1,0,0,0|1,0,1]=4 198 B11R1.28 CCNCCC1=CC=CC=N1 S361453 [0,1,1,0,0,0|2,0,0]=4 199 B11R1.28 CCNCCC1=CC=NC=C1 OTV000969 [0,1,1,0,0,0|2,0,0]=4 200 B11R1.28 CCOCCC1=CC=CC=N1 S361402 [0,1,1,0,0,0|2,0,0]=4 201 B11R1.28 CCOCCC1=CC=NC=C1 S368741 [0,1,1,0,0,0|2,0,0]=4 202 B11R1.28 CNCCCC1=CC=CC=C1 CDS006632 [0,1,1,0,0,0|0,0,0]=2 203 B11R1.28 COCCOC1=CC=CC=C1 S793000 [0,1,1,0,0,0|2,0,0]=4 204 B11R1.28 COCCSC1=CC=CC=C1 TMT00668 [0,1,1,0,0,0|2,0,0]=4 205 B11R1.28 CSCCOC1=CC=CC=C1 S697990 [0,1,1,0,0,0|2,0,0]=4 206 B11R1.28 ClCCCSC1=CC=CC=C1 S799211 [0,1,1,0,0,0|1,0,0]=3 207 B11R1.28 ClCCNCC1=CC=CC=C1 S377872 [0,1,1,0,0,0|1,0,0]=3 208 B11R1.28 N#CCOCC1=CC=CC=C1 S240400 [0,1,1,0,0,0|0,0,2]=4 209 B11R1.28 NCCCNC1=CC=CC=C1 CDS021448 [0,1,1,0,0,0|0,0,0]=2 210 B11R1.28 NCCCNC1=CC=CC=N1 PH014605 [0,1,1,0,0,0|1,0,0]=3 211 B11R1.28 NCCCOC1=CC=CC=C1 PH010546 [0,1,1,0,0,0|0,0,0]=2 212 B11R1.28 NCCCOC1=CC=CC=C1 VBP00077 [0,1,1,0,0,0|0,0,0]=2 213 B11R1.28 NNCCCC1=CC=NC=C1 PH019436 [0,1,1,0,0,0|1,0,0]=3 214 B11R1.28 NNCCCC1=NC=CC=C1 PH019447 [0,1,1,0,0,0|1,0,0]=3 215 B11R1.28 NOCCOC1=CC=CC=C1 CDS015326 [0,1,1,0,0,0|1,0,0]=3 216 B11R1.28 O/N=C/CCC1=CC=CC=C1 PH009095 [0,1,1,0,0,0|0,0,2]=4 217 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [0,1,1,0,0,0|1,0,1]=4 218 B11R1.28 OCCCNC1=NC=CC=C1 EME00343 [0,1,1,0,0,0|2,0,0]=4 219 B11R1.28 OCCCSC1=CC=CC=C1 S799238 [0,1,1,0,0,0|1,0,0]=3 220 B11R1.28 OCCNCC1=NC=CC=C1 PH014542 [0,1,1,0,0,0|2,0,0]=4 221 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,1,1,0,0,0|1,0,0]=3 222 B11R1.40 CCC(C)NC1=CC=CC=C1 S372293 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.40 CCN(C)CC1=CC=CC=C1 PH012025 [0,1,1,0,0,0|2,0,0]=4 224 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,1,1,0,0,0|1,0,1]=4 225 B11R1.40 OC(CCl)CC1=CC=CC=C1 S825743 [0,1,1,0,0,0|1,0,0]=3 226 B11R1.40 OC(CCl)C[N+]1=CC=CC=C1 S65065 [0,1,1,0,0,0|2,0,0]=4 227 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [0,1,1,0,0,0|2,0,0]=4 228 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [0,1,1,0,0,0|2,0,0]=4 229 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [0,1,1,0,0,0|0,0,0]=2 232 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [0,1,1,0,0,0|1,0,0]=3 233 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [0,1,1,0,0,0|1,0,0]=3 234 B11R1.91 N=C(N)CCC1=NC=CC=C1 PH015393 [0,1,1,0,0,0|1,0,1]=4 235 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [0,1,1,0,0,0|1,0,1]=4 236 B11R1.91 N=C(N)NCC1=CC=CC=C1 CBR01532 [0,1,1,0,0,0|1,0,1]=4 237 B11R1.91 NC(=O)CC[N+]1=CC=CC=C1 S343315 [0,1,1,0,0,0|1,0,1]=4 238 B11R1.91 NC(=O)CNC1=CC=CC=C1 PH010726 [0,1,1,0,0,0|1,0,1]=4 239 B11R1.91 NC(=O)CSC1=CC=CC=C1 PH011181 [0,1,1,0,0,0|1,0,1]=4 240 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [0,1,1,0,0,0|1,0,1]=4 241 B11R1.91 NC(=S)NCC1=CC=CC=C1 S385816 [0,1,1,0,0,0|1,0,1]=4 242 B11R1.91 NC(=[S+]CC1=CC=CC=C1)N S34720 [0,1,1,0,0,0|1,0,1]=4 243 B11R1.20 C=C(C)CC1=CC=C(C=C1)O PH007153 [0,1,1,0,0,0|1,0,1]=4 244 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl CDS004628 [0,1,1,0,0,0|1,0,1]=4 245 B11R1.20 CC(=O)CC1=CC=C(C=C1)O PH011294 [0,1,1,0,0,0|1,0,1]=4 246 B11R1.20 CC(C)OC1=CC=C(C=C1)Br S671118 [0,1,1,0,0,0|2,0,0]=4 247 B11R1.20 CC(C)OC1=CC=C(C=C1)N CDS002559 [0,1,1,0,0,0|2,0,0]=4 248 B11R1.20 CC(C)OC1=CC=C(C=C1)N PH011325 [0,1,1,0,0,0|2,0,0]=4 249 B11R1.20 CC(C)SC1=CC=C(C=C1)Cl PH000601 [0,1,1,0,0,0|2,0,0]=4 250 B11R1.20 CC1=CC=C(C=C1)CC(=O)N S536768 [0,1,1,0,0,0|1,0,1]=4 251 B11R1.20 CN(C)CC1=CC=C(C=C1)Br PH012027 [0,1,1,0,0,0|2,0,0]=4 252 B11R1.20 NC(=O)CC1=CC=C(C=C1)Cl CDS011494 [0,1,1,0,0,0|1,0,1]=4 253 B11R1.20 NC(=S)CC1=CC=C(C=C1)Cl PH011776 [0,1,1,0,0,0|1,0,1]=4 254 B11R1.86 CC(=O)CC1=CC=CC=C1Br CDS003545 [0,1,1,0,0,0|1,0,1]=4 255 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [0,1,1,0,0,0|2,0,0]=4 256 B11R1.86 CC(C)SC1=CC=CC=C1N CBR00953 [0,1,1,0,0,0|2,0,0]=4 257 B11R1.86 CC(C)SC1=CC=CC=C1N PH010950 [0,1,1,0,0,0|2,0,0]=4 258 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [0,1,1,0,0,0|2,0,0]=4 259 B11R1.86 CN(C)CC1=CC=CC=C1O CDS000342 [0,1,1,0,0,0|2,0,0]=4 260 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [0,1,1,0,0,0|1,0,0]=3 261 B11R1.86 N=C(N)CC1=C(C=CC=C1)Cl PH015478 [0,1,1,0,0,0|1,0,1]=4 262 B11R1.86 NC(=O)CC1=CC=CC=C1Br CDS005049 [0,1,1,0,0,0|1,0,1]=4 263 B11R1.86 NC(=O)CC1=CC=CC=C1Cl CDS011434 [0,1,1,0,0,0|1,0,1]=4 264 B11R1.86 NC(=O)CC1=CC=CC=C1N CDS012270 [0,1,1,0,0,0|1,0,1]=4 265 B11R1.86 NC(=O)CC1=CC=CC=C1O S668982 [0,1,1,0,0,0|1,0,1]=4 266 B11R1.157 CC(=O)CC1=CC(=CC=C1)C CDS017452 [0,1,1,0,0,0|1,0,1]=4 267 B11R1.157 CC(N)CC1=CC=CC(=C1)Br CDS022739 [0,1,1,0,0,0|0,0,0]=2 268 B11R1.157 CC1=CC(=CC=C1)NC(C)C S657476 [0,1,1,0,0,0|2,0,0]=4 269 B11R1.157 CC1=CC(=NC=C1)CC(C)O PH015436 [0,1,1,0,0,0|2,0,0]=4 270 B11R1.157 CC1=CC=CC(=N1)CC(C)O PH015426 [0,1,1,0,0,0|2,0,0]=4 271 B11R1.157 CN(N)CC1=CC=CC(=C1)Cl PH007608 [0,1,1,0,0,0|1,0,0]=3 272 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 PH011646 [0,1,1,0,0,0|2,0,0]=4 273 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [0,1,1,0,0,0|2,0,0]=4 274 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [0,1,1,0,0,0|2,0,0]=4 275 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [0,1,1,0,0,0|2,0,0]=4 276 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [0,1,1,0,0,0|1,0,0]=3 277 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [0,1,1,0,0,0|2,0,0]=4 278 B11R1.509 FC(F)(F)CC1=CC=CC=C1 MNO000048 [0,1,1,0,0,0|2,0,0]=4 279 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [0,1,1,0,0,0|1,1,0]=4 280 B11R2.34 NC1=CN=C(C=N1)C2CC2 CDS019080 [1,1,0,0,0,0|2,0,0]=4 281 B11R2.35 BrC1=CC=CC(=C1)C2CC2 MNO000086 [1,1,0,0,0,0|0,0,0]=2 282 B11R2.35 NC1=CC=CC(=C1)C2CC2 CDS022395 [1,1,0,0,0,0|0,0,0]=2 283 B11R2.40 NC1(CC1)C2=CC=CC=C2 OTV000611 [1,1,0,0,0,0|0,0,0]=2 284 B11R2.40 NC1(CC1)C2=CC=CN=C2 PH017220 [1,1,0,0,0,0|1,0,0]=3 285 B11R2.40 NC1(CC1)C2=CC=NC=C2 PH018491 [1,1,0,0,0,0|1,0,0]=3 286 B11R2.55 NC1=C(C=CC=C1)C2CC2 CDS021534 [1,1,0,0,0,0|0,0,0]=2 287 B13R2.382 C=C1CC1C(O)C2=CC=CC=C2 L168629 [0,1,0,0,0,1|1,0,1]=4 288 B13R2.42 CC1=CC=C(C=C1)[C@@H]2C[C@H]2C=O PH018823 [0,2,0,0,0,0|1,0,0]=3 289 B13R2.423 O=C(O)C1CC1C2=CC=CC=N2 CDS022741 [0,2,0,0,0,0|2,0,0]=4 290 B13R2.423 O=C([O-])C1OC1C2=CC=CC=C2 S354562 [0,2,0,0,0,0|2,0,0]=4 291 B13R2.567 N#CC1CN1C2=CC=CC=C2Cl PH001303 [0,2,0,0,0,0|1,0,1]=4 292 B13R2.3201 CC1(CC1(Br)Br)C2=CC=CC=C2 S883735 [0,2,0,0,0,0|1,0,0]=3 293 B13R2.3201 CC1(CC1(Cl)Cl)C2=CC=CC=C2 R425737 [0,2,0,0,0,0|1,0,0]=3 294 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,1,1,0,0|1,0,1]=4 295 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,1,1,0,0|2,0,0]=4 296 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,0,1,1,0,0|1,0,0]=3 297 B11R2.239 C1=CC(=NN=C1)C2CNC2 PH019031 [0,0,1,1,0,0|2,0,0]=4 298 B11R2.239 C1=CC=C(C=C1)C2CCN2 CDS019224 [0,0,1,1,0,0|2,0,0]=4 299 B11R2.239 C1=CN=C(C=C1)C2CNC2 PH018991 [0,0,1,1,0,0|1,0,0]=3 300 B11R2.239 C1=CN=C(N=C1)C2CNC2 PH018956 [0,0,1,1,0,0|2,0,0]=4 301 B11R2.239 C1=CN=CC(=C1)C2CNC2 PH019032 [0,0,1,1,0,0|1,0,0]=3 302 B11R2.239 C1=NC=C(C=N1)C2CNC2 PH019030 [0,0,1,1,0,0|2,0,0]=4 303 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,1,1,0,0|2,0,0]=4 304 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,1,1,0,0|1,0,0]=3 305 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,0,1,1,0,0|1,0,0]=3 306 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,0,1,1,0,0|1,0,0]=3 307 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,1,1,0,0|2,0,0]=4 308 B11R2.20 C1=NC=C2CCCNC2=C1 CDS016859 [0,0,1,1,0,0|1,0,0]=3 309 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,1,1,0,0|2,0,0]=4 310 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,1,1,0,0|2,0,0]=4 311 B11R2.10 CC1CC2=C(O1)C=CC=C2 S455830 [0,0,1,1,0,0|1,0,0]=3 312 B11R2.10 CN1CC2=CC=CC=C2C1 PH012966 [0,0,1,1,0,0|2,0,0]=4 313 B11R2.10 N1C(=NC2=C1C=CC=C2)C S447102 [0,0,1,1,0,0|1,0,1]=4 314 B11R2.10 SC1CC2=CC=CC=C2C1 CDS023745 [0,0,1,1,0,0|1,0,0]=3 315 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,0,1,0,1,0|2,0,0]=4 316 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,0,1,0,1,0|2,0,0]=4 317 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,0,1,0,1,0|1,0,0]=3 318 B9R1.12 NCCCC1=CNN=C1 CDS001685 [0,0,1,0,1,0|2,0,0]=4 319 B9R1.12 NCCCN1C=CC=C1 CDS020841 [0,0,1,0,1,0|1,0,0]=3 320 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,0,1,0,1,0|2,0,0]=4 321 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,0,1,0,1,0|2,0,0]=4 322 B9R2.2 C1=CC(=NN1)C2CC2 CDS009184 [1,0,0,0,1,0|2,0,0]=4 323 B13R2.10 BrC1=NOC(C1)C2=CC=CC=C2 SYX00179 [0,0,0,0,0,2|1,0,1]=4 324 B13R2.10 CC1=NNC(C1)C2=CC=CC=C2 PH013767 [0,0,0,0,0,2|1,0,1]=4 325 B13R2.10 O=C1CSC(N1)C2=CC=CC=C2 PH010364 [0,0,0,0,0,2|1,0,1]=4 326 B13R2.10 S=C1NCC(S1)C2=CC=CC=C2 PH006997 [0,0,0,0,0,2|1,0,1]=4 327 B13R2.15 CC1NCCC1C2=CC=CC=C2 PH012643 [0,0,0,0,0,2|1,0,0]=3 328 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [0,0,0,0,0,2|2,0,0]=4 329 B13R2.15 NC1=NCCN1C2=CC=CC=C2 PH014022 [0,0,0,0,0,2|1,0,1]=4 330 B13R2.15 NN1CCCC1C2=CC=CC=C2 PH011021 [0,0,0,0,0,2|1,0,0]=3 331 B13R2.15 N[C@H]1CCC[C@@H]1C2=CC=CC=C2 PH018837 [0,0,0,0,0,2|0,0,0]=2 332 B13R2.15 O=C1NCCC1C2=CC=CC=C2 PH002073 [0,0,0,0,0,2|1,0,1]=4