0 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.8 CCCC1=NCCO1 S396397 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 CCCC1C=CCC1 R289795 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.8 CCCN1C=CC=C1 PH010280 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.8 CNCC1=CC=CS1 PH012021 [0,0,0,0,0,0|1,1,0]=2 6 B8R1.8 CNCC1=CSC=C1 PH015792 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,0,0,0,0,0|2,1,0]=3 14 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.8 ON=CC1=CC=CS1 S551848 [0,0,0,0,0,0|2,1,1]=4 17 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 C#CC1=CC=CS1 CDS010938 [1,0,0,0,0,0|0,1,2]=4 19 B7R1.1 CCC1=CNN=C1 CBR01738 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,0,0,0|1,0,2]=4 21 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,0,0|0,1,0]=2 22 B7R1.1 ClCC1=CN=CS1 CBR02473 [1,0,0,0,0,0|2,1,0]=4 23 B7R1.1 ClCC1=CNC=N1 CBR00821 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.1 ClCC1=CSC=N1 SYX00282 [1,0,0,0,0,0|3,0,0]=4 25 B7R1.1 ClCC1=NC=CS1 CBR01833 [1,0,0,0,0,0|2,1,0]=4 26 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [1,0,0,0,0,0|2,0,0]=3 27 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [1,0,0,0,0,0|2,1,0]=4 28 B7R1.1 NCC1=CN=CS1 CDS007657 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,0,0|3,0,0]=4 30 B7R1.1 NCC1=NC=CS1 CDS023086 [1,0,0,0,0,0|2,1,0]=4 31 B7R1.1 NCC1=NC=CS1 PHB00196 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,0,0|1,1,0]=3 33 B7R1.1 OCC1=CN=CS1 CDS004659 [1,0,0,0,0,0|1,2,0]=4 34 B7R1.1 OCC1=NOC=C1 PHB00207 [1,0,0,0,0,0|2,1,0]=4 35 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,0,0|0,1,0]=2 36 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,1,0,0,0,0|1,0,0]=2 37 B9R1.7 CCCC1=NC=C(N1)Br CBR01481 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.7 CCCC1=NN=C(O1)N CBR01390 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.7 CCCN1C=C(C=N1)Br CDS023255 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.7 CCCN1C=C(C=N1)N CBR01342 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.7 CNCC1=NC(=CN1)C CBR00691 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.7 CNCC1=NC(=CN1)C PH019204 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.7 CNCC1=NC(=CS1)C CBR00972 [0,1,0,0,0,0|2,1,0]=4 45 B9R1.7 CNCC1=NC(=NO1)C CBR01478 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.7 CNCC1=NC=C(S1)C CDS011823 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.7 CNCC1=NOC(=C1)C CDS006620 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.7 N#CCC1=CC(=CS1)Br CDS003130 [0,1,0,0,0,0|2,1,0]=4 49 B9R1.7 OCCC1=CC(=NO1)Br SYX00381 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.11 C/C(=N/O)/C1=CC=CO1 S602906 [0,1,0,0,0,0|2,0,1]=4 51 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,0,0|1,0,1]=3 54 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,1,0,0,0,0|1,1,0]=3 55 B9R1.11 CCC(N)C1=NC=CS1 CBR00629 [0,1,0,0,0,0|2,1,0]=4 56 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,1,0,0,0,0|1,1,0]=3 57 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,1,0,0,0,0|1,0,0]=2 58 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,1,0,0,0,0|1,1,0]=3 59 B9R1.12 CCNCC1=NC=CS1 CDS012234 [0,1,0,0,0,0|2,1,0]=4 60 B9R1.12 ClCCCN1C=CC=N1 CBR00878 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.12 N#CCCC1=CC=CO1 T208493 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.12 N#CCCC1=CC=CS1 PH001287 [0,1,0,0,0,0|1,1,1]=4 63 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,1,0,0,0,0|1,0,0]=2 64 B9R1.12 NCCCN1C=CC=C1 CDS020841 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.13 BrC(=CC1=CC=CO1)Br CFSS0001 [0,1,0,0,0,0|2,0,1]=4 67 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,1,0,0,0,0|1,0,0]=2 68 B9R1.13 CC(=O)CN1C=CC=N1 CBR00875 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,1,0,0,0,0|2,1,0]=4 70 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,1,0,0,0,0|1,1,0]=3 71 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,1,0,0,0,0|2,1,0]=4 72 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [0,1,0,0,0,0|2,1,0]=4 73 B9R1.33 CN1C=CC=C1CC#N CBR02122 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.33 CNCC1=CC=NN1C CDS014702 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,1,0,0,0,0|2,0,0]=3 77 B7R0.7 C/C=C/C(O)CCC S417386 [0,0,1,0,0,0|1,0,2]=4 78 B7R0.7 C=CCC(O)CCC S350389 [0,0,1,0,0,0|1,0,2]=4 79 B9R2.2 C1=CC(=NN1)C2CC2 CDS009184 [0,0,0,1,0,0|3,0,0]=4 80 B9R2.3 C1=C2CNCC2=NN1 MNO000144 [0,0,0,1,0,0|3,0,0]=4 81 B9R2.3 C1=NNC2=C1CCC2 CBR01038 [0,0,0,1,0,0|3,0,0]=4 82 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.8 C/C=C/C1=CC=CC=N1 PH007383 [0,0,0,0,0,1|2,0,1]=4 84 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,0,0,0,0,1|2,0,0]=3 85 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,0,0,0,0,1|3,0,0]=4 86 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,0,0,0,0,1|2,0,0]=3 87 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,0,0,0,0,1|2,0,0]=3 88 B9R1.8 CNNC1=CC=CC=C1 PH012261 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.8 COCC1=CC=CC=N1 S363146 [0,0,0,0,0,1|1,1,0]=3 90 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,0,0,0,0,1|2,1,0]=4 95 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,0,0,0,0,1|3,0,0]=4 97 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,0,0,0,0,1|2,0,1]=4 100 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,0,0,0,0,1|2,0,1]=4 101 B6R1.2 BrC1=CC=CO1 CDS020809 [2,0,0,0,0,0|1,0,0]=3 102 B6R1.2 CC1=CC=NN1 CDS002430 [2,0,0,0,0,0|2,0,0]=4 103 B6R1.2 CC1=COC=C1 CDS019631 [2,0,0,0,0,0|2,0,0]=4 104 B6R1.2 CC1=NC=CS1 CDS000301 [2,0,0,0,0,0|1,1,0]=4 105 B8R0.6 C=CC(=O)OCCCC S444715 [0,1,1,0,0,0|1,0,1]=4 106 B8R0.7 CCC/C=C/CC(=O)O CDS000348 [0,1,1,0,0,0|1,0,1]=4 107 B8R1.1 CC1=CN=C(O1)CN CDS008557 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.1 CC1=NOC(=C1)CN CBR00041 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.1 CCC1=CSC(=N1)N CBR01525 [1,1,0,0,0,0|2,0,0]=4 110 B8R1.1 CCC1=CSC(=S)N1 PH006951 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.1 CCC1=NNC(=C1)N CDS019625 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [1,1,0,0,0,0|1,1,0]=4 114 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [1,1,0,0,0,0|1,1,0]=4 116 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [1,1,0,0,0,0|1,1,0]=4 117 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [1,1,0,0,0,0|0,2,0]=4 118 B8R1.1 OCC1=CC=C(S1)F PHB00247 [1,1,0,0,0,0|0,2,0]=4 119 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [1,1,0,0,0,0|0,1,0]=3 120 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [1,1,0,0,0,0|0,1,0]=3 121 B8R1.7 CC(N)C1=CCCO1 PH018924 [1,1,0,0,0,0|0,0,2]=4 122 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [1,1,0,0,0,0|2,0,0]=4 124 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,1,0,0,0,0|1,0,1]=4 125 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,1,0,0,0,0|0,0,2]=4 126 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,1,0,0,0,0|0,1,1]=4 127 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,1,0,0,0,0|0,1,1]=4 128 B8R1.11 CC1=C(SC=C1)CN CDS015230 [1,1,0,0,0,0|1,1,0]=4 129 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,1,0,0,0,0|0,1,1]=4 130 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.1 CNCC1=CC=C(C=C1)C CDS014661 [0,1,0,0,0,1|2,0,0]=4 132 B10R1.1 CNCC1=CC=C(N=C1)Cl CBR01530 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.1 COCC1=CC=C(C=C1)O S392596 [0,1,0,0,0,1|1,1,0]=4 134 B10R1.1 CSCC1=CC=C(C=C1)Br EME00156 [0,1,0,0,0,1|1,0,0]=3 135 B10R1.1 CSCC1=CC=C(C=C1)Cl S637947 [0,1,0,0,0,1|1,0,0]=3 136 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [0,1,0,0,0,1|2,0,0]=4 137 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [0,1,0,0,0,1|1,1,0]=4 139 B10R1.4 CSCC1=CC=CC=C1Br S663395 [0,1,0,0,0,1|1,0,0]=3 140 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.10 CNCC1=CC=CC(=N1)N PH015469 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.10 CNCC1=NC(=CC=C1)C S363774 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.10 COCC1=CC=CC(=N1)C S352160 [0,1,0,0,0,1|1,1,0]=4 144 B10R1.10 CSCC1=CC(=CC=C1)Br EME00017 [0,1,0,0,0,1|1,0,0]=3 145 B10R1.10 CSCC1=NC=CC(=N1)Cl S294187 [0,1,0,0,0,1|1,0,0]=3 146 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,0,0,0,1|2,0,0]=4 147 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,0,0,0,1|2,0,0]=4 148 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,1,0,0,0,1|2,0,0]=4 149 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,1,0,0,0,1|2,0,0]=4 150 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,1,0,0,0,1|2,0,0]=4 151 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,1,0,0,0,1|2,0,0]=4 152 B10R1.15 CSC(=N)C1=CC=CC=N1 BOG00223 [0,1,0,0,0,1|1,0,1]=4 153 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,1,0,0,0,1|1,0,1]=4 154 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,1,0,0,0,1|1,0,1]=4 155 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,1,0,0,0,1|2,0,0]=4 156 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,1,0,0,0,1|2,0,0]=4 157 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,1,0,0,0,1|2,0,0]=4 158 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,1,0,0,0,1|1,1,0]=4 159 B10R1.17 CSC=CC1=CC=CC=C1 S332976 [0,1,0,0,0,1|1,0,1]=4 160 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,1,0,0,0,1|1,0,0]=3 161 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,1,0,0,0,1|2,0,0]=4 162 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [0,1,0,0,0,1|2,0,0]=4 166 B10R1.18 CC(=O)CC1=CN=CC=N1 CDS013843 [0,1,0,0,0,1|2,0,0]=4 167 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,1,0,0,0,1|2,0,0]=4 168 B10R1.18 CN(C)CC1=CC=CC=C1 S503916 [0,1,0,0,0,1|2,0,0]=4 169 B10R1.18 CN(C)CC1=CC=CC=C1 S942987 [0,1,0,0,0,1|2,0,0]=4 170 B10R1.18 CN(C)CC1=CC=CC=N1 S360821 [0,1,0,0,0,1|2,0,0]=4 171 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,1,0,0,0,1|2,0,0]=4 172 B10R1.14 COC(=O)C1=CC=C(O1)Br S810541 [0,2,0,0,0,0|0,1,1]=4 173 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [0,2,0,0,0,0|1,0,1]=4 174 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,2,0,0,0,0|1,0,1]=4 175 B10R1.54 CC1=CC=C(O1)CN(C)C S508993 [0,2,0,0,0,0|1,0,0]=3 176 B10R1.96 COCC1=CC=C(O1)[Hg]Cl S812374 [0,2,0,0,0,0|0,1,0]=3 177 B10R1.9 CNC(C#N)C1=CC=CO1 S450375 [0,2,0,0,0,0|1,0,0]=3 178 B10R1.9 COC(CN)C1=CC=CS1 CBR01293 [0,2,0,0,0,0|0,2,0]=4 179 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [0,2,0,0,0,0|1,0,0]=3 180 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [0,2,0,0,0,0|1,1,0]=4 181 B10R1.11 CCCC(N)C1=CC=CS1 CBR00906 [0,2,0,0,0,0|1,1,0]=4 182 B10R1.11 CNC[C@@H](O)C1=CC=CO1 PH008825 [0,2,0,0,0,0|1,0,0]=3 183 B10R1.23 CN(C)C(=O)C1=CC=CO1 PH008437 [0,2,0,0,0,0|1,0,1]=4 184 B10R1.27 C/C(=C\C1=CC=CO1)/C=O PH011362 [0,2,0,0,0,0|1,0,1]=4 185 B10R1.66 CC(C)/N=C/C1=CC=CO1 PH008255 [0,2,0,0,0,0|1,0,1]=4 186 B10R1.66 NC(=S)NCC1=CC=CO1 CDS004582 [0,2,0,0,0,0|1,0,1]=4 187 B10R2.32 NC1CCC2=C1C=CS2 CDS009121 [0,1,0,1,0,0|1,1,0]=4