0 B8R1.8 BrCCN1C=CC=N1 CDS002854 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.8 CCCC1C=CCC1 R289795 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.8 CCCN1C=CC=C1 PH010280 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCNC1=NN=CS1 PH014535 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 CNCC1=CC=CS1 CDS004831 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.8 CNCC1=CC=CS1 PH012021 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.8 CNCC1=CSC=C1 PH015792 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CNCC1=NC=CN1 CBR00689 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 ClCCC1=CNN=C1 CBR00809 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 ClCCN1C=CC=N1 CDS015079 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.8 N#CCC1=CC=CO1 JRD0290 [0,0,0,0,0,0|0,1,2]=3 11 B8R1.8 N#C[Hg]C1=CC=CO1 S815810 [0,0,0,0,0,0|1,1,2]=4 12 B8R1.8 NCCC1=CC=CO1 CBR02448 [0,0,0,0,0,0|0,1,0]=1 13 B8R1.8 NCCN1C=CC=N1 CDS008012 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.8 NNCC1=CC=CS1 CBR01534 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.8 O=CNC1=NC=CS1 PH004567 [0,0,0,0,0,0|3,0,1]=4 16 B8R1.8 OCCN1C=CC=C1 CDS000018 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 OCCN1C=CC=N1 CDS004224 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.8 OCCN1C=CN=N1 CDS008475 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.8 ON=CC1=CC=CS1 S551848 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 C#CC1=CC=CS1 CDS010938 [1,0,0,0,0,0|0,0,2]=3 22 B7R1.1 CCC1=CNN=C1 CBR01738 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.1 CCC1C=CCC1 S416223 [1,0,0,0,0,0|1,0,2]=4 24 B7R1.1 CSC1=CC=CS1 R436550 [1,0,0,0,0,0|1,0,0]=2 25 B7R1.1 ClCC1=CN=CS1 CBR02473 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 ClCC1=CNC=N1 CBR00821 [1,0,0,0,0,0|3,0,0]=4 27 B7R1.1 ClCC1=CSC=N1 SYX00282 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.1 ClCC1=NC=CS1 CBR01833 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [1,0,0,0,0,0|2,1,0]=4 30 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 NCC1=CN=CS1 CDS007657 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.1 NCC1=COC=C1 CDS008929 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 NCC1=CSN=N1 CDS019170 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 NCC1=NC=CS1 CDS023086 [1,0,0,0,0,0|1,0,0]=2 35 B7R1.1 NCC1=NC=CS1 PHB00196 [1,0,0,0,0,0|1,0,0]=2 36 B7R1.1 NCC1=NOC=N1 CDS019857 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.1 OCC1=CC=CN1 CDS009556 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.1 OCC1=CN=CS1 CDS004659 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.1 OCC1=NOC=C1 PHB00207 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 SCC1=CC=CS1 CDS000069 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.7 CC1=CNC(=N1)CCN PH019292 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.7 CC1=CSC(=N1)CCN OTV000992 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.7 CC1=NC(=CS1)CCCl CBR02382 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.7 CC1=NN(C=C1)CCCl CBR00194 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.7 CC1=NN(C=C1)CCO CBR00079 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.7 CC1=NN=C(S1)CCN CBR02349 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,1,0,0,0,0|1,1,0]=3 48 B9R1.7 CCCC1=NC=C(N1)Br CBR01481 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.7 CCCN1C=C(C=N1)Br CDS023255 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.7 CCCN1C=C(C=N1)N CBR01342 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,1,0,0,0,0|2,1,0]=4 52 B9R1.7 CNCC1=NC(=CS1)C CBR00972 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.7 CNCC1=NC=C(S1)C CDS011823 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.7 ClC1=CN(N=C1)CCBr CBR01296 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.7 N#CCC1=CC(=CS1)Br CDS003130 [0,1,0,0,0,0|0,0,2]=3 56 B9R1.7 NC1=NN=C(S1)CCBr OTV000657 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.7 NC1=NN=C(S1)CCBr OTV000755 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.7 NCCN1C=C(C=N1)Cl CBR00104 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.7 O/N=C/C1=CC(=CS1)Br PH011720 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.7 OCCC1=CC(=NO1)Br SYX00381 [0,1,0,0,0,0|2,1,0]=4 61 B9R1.7 OCCN1C=C(C=N1)Br TMT00437 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.11 CC(NO)C1=CC=CO1 CVT00078 [0,1,0,0,0,0|2,1,0]=4 64 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,1,0,0,0,0|2,0,1]=4 65 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,1,0,0,0,0|1,1,1]=4 66 B9R1.11 CCC(N)C1=CC=CS1 T326984 [0,1,0,0,0,0|1,0,0]=2 67 B9R1.11 CCC(N)C1=NC=CS1 CBR00629 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.11 CNC(C)C1=CC=CS1 CBR01263 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.11 OC[C@H](O)C1=COC=C1 T279072 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.12 CCCCC1=CC=CO1 CDS001204 [0,1,0,0,0,0|1,1,0]=3 71 B9R1.12 CCCCC1=CC=CS1 CDS001487 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.12 CCNCC1=NC=CS1 CDS012234 [0,1,0,0,0,0|2,0,0]=3 73 B9R1.12 CNCCC1=NOC=N1 CBR01684 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.12 CNCCN1C=CN=C1 CBR02318 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.12 ClCCCN1C=CC=N1 CBR00878 [0,1,0,0,0,0|3,0,0]=4 76 B9R1.12 N#C/C=C/C1=CC=CS1 S679046 [0,1,0,0,0,0|0,0,3]=4 77 B9R1.12 N#CCCC1=CC=CO1 T208493 [0,1,0,0,0,0|0,1,1]=3 78 B9R1.12 N#CCCC1=CC=CS1 PH001287 [0,1,0,0,0,0|0,0,1]=2 79 B9R1.12 NCCCC1=CC=CO1 CBR00236 [0,1,0,0,0,0|0,1,0]=2 80 B9R1.12 NCCCC1=CNN=C1 CDS001685 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.12 NCCCN1C=CC=C1 CDS020841 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.12 NCCCN1C=CN=N1 CBR01711 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.12 NCCCN1C=NC=N1 CBR00626 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.12 NCCSC1=CN=NN1 CBR01009 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.12 NCCSC1=NC=NN1 CBR00641 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.12 S=C=NCC1=CC=CO1 CDS003797 [0,1,0,0,0,0|1,1,1]=4 87 B9R1.13 BrC(=CC1=CC=CS1)Br CFSS0002 [0,1,0,0,0,0|1,0,2]=4 88 B9R1.13 CC(=O)CC1=CC=CO1 CDS001522 [0,1,0,0,0,0|1,1,1]=4 89 B9R1.13 CC(N)CC1=NC=CS1 CDS011820 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.13 CC(O)CC1=CC=CS1 S365017 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.13 NC(=O)CC1=CC=CS1 S90671 [0,1,0,0,0,0|0,0,1]=2 92 B9R1.13 O=C(O)CC1=NC=CS1 CDS019262 [0,1,0,0,0,0|2,0,1]=4 93 B9R1.33 CC1=C(NC=N1)CCN CDS023154 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.33 CC1=C(SC=C1)/C=N/N R128422 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.33 CC1=C(SC=C1)CCN CBR01050 [0,1,0,0,0,0|0,0,0]=1 96 B9R1.33 CC1=C(SC=N1)CCN CBR00609 [0,1,0,0,0,0|1,0,0]=2 97 B9R1.33 CC1=CC=NN1CCCl CBR00210 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.33 CC1=CC=NN1CCN CDS009661 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.33 CN1C=CC=C1CC#N CBR02122 [0,1,0,0,0,0|1,0,2]=4 100 B9R1.33 CN1C=CC=C1CCN CBR01483 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.33 CN1C=CN=C1CCCl CBR01829 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.33 CN1C=CN=C1CCN CBR02384 [0,1,0,0,0,0|2,0,0]=3 103 B9R1.33 CN1C=CN=C1CCO CDS023208 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.33 CN1C=NC=C1CNN PH019113 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.33 CN1N=CN=C1CCN CBR01570 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.33 N(C)CC1=CC=CN1C T316350 [0,1,0,0,0,0|3,0,0]=4 107 B9R2.2 C1=CC(=NN1)C2CC2 CDS009184 [0,0,0,1,0,0|3,0,0]=4 108 B9R2.3 C1=NNC2=C1CCC2 CBR01038 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.8 BrCCC1=CC=CN=C1 CDS024209 [0,0,0,0,0,1|2,0,0]=3 110 B9R1.8 CCCC1=CC=NC=C1 S573086 [0,0,0,0,0,1|2,0,0]=3 111 B9R1.8 CCOC1=CC=CC=N1 S442267 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.8 CNCC1=NC=NC=C1 PH017743 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.8 CNCC1=NC=NC=C1 PH019105 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.8 COCC1=CC=CC=N1 S363146 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.8 Cl[Hg]CC1=CC=CC=C1 S810894 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.8 I[Hg]CC1=CC=CC=C1 S838705 [0,0,0,0,0,1|3,0,0]=4 117 B9R1.8 NCCC1=CC=CN=C1 CDS003709 [0,0,0,0,0,1|1,0,0]=2 118 B9R1.8 NCCC1=CC=CN=C1 CDS022961 [0,0,0,0,0,1|1,0,0]=2 119 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.8 OCCC1=CC=CN=C1 CDS008359 [0,0,0,0,0,1|2,0,0]=3 121 B9R1.8 OCC[N+]1=CC=CC=C1 T161055 [0,0,0,0,0,1|3,0,0]=4 122 B9R1.8 SCCC1=CC=CC=N1 CDS004787 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [0,0,0,0,0,1|2,0,0]=3 124 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [0,0,0,0,0,1|2,0,0]=3 125 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 PH015401 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [0,0,0,0,0,1|3,0,0]=4 127 B6R0.6 C=CCSCCC S357391 [1,0,1,0,0,0|0,0,2]=4 128 B6R1.2 BrC1=CC=CO1 CDS020809 [2,0,0,0,0,0|1,1,0]=4 129 B6R1.2 CC1=CC=NN1 CDS002430 [2,0,0,0,0,0|2,0,0]=4 130 B6R1.2 CC1=COC=C1 CDS019631 [2,0,0,0,0,0|2,0,0]=4 131 B6R1.2 CC1=NC=CS1 CDS000301 [2,0,0,0,0,0|1,0,0]=3 132 B6R1.2 N1C=CN=C1N CDS020502 [2,0,0,0,0,0|2,0,0]=4 133 B6R1.2 NC1=CN=CS1 CDS008189 [2,0,0,0,0,0|1,0,0]=3 134 B6R1.2 NC1=CSC=C1 PHB00043 [2,0,0,0,0,0|2,0,0]=4 135 B6R1.2 NC1=NC=CS1 R646520 [2,0,0,0,0,0|1,0,0]=3 136 B6R1.2 NN1C=CC=C1 CDS000078 [2,0,0,0,0,0|2,0,0]=4 137 B6R1.2 S=C1NC=CS1 PH000321 [2,0,0,0,0,0|2,0,0]=4 138 B8R1.1 CC1=CN=C(O1)CN CDS008557 [1,1,0,0,0,0|1,1,0]=4 139 B8R1.1 CC1=CN=C(S1)CN CDS011809 [1,1,0,0,0,0|1,0,0]=3 140 B8R1.1 CC1=NC(=CS1)CN CBR00687 [1,1,0,0,0,0|2,0,0]=4 141 B8R1.1 CC1=NNC(=C1)CN CBR01017 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.1 CC1=NOC(=C1)CN CBR00041 [1,1,0,0,0,0|1,1,0]=4 143 B8R1.1 CCC1=CSC(=N1)N CBR01525 [1,1,0,0,0,0|2,0,0]=4 144 B8R1.1 CCC1=CSC(=S)N1 PH006951 [1,1,0,0,0,0|2,0,0]=4 145 B8R1.1 CCC1=NNC(=C1)N CDS019625 [1,1,0,0,0,0|2,0,0]=4 146 B8R1.1 CCN1C=C(C=N1)Br CDS003673 [1,1,0,0,0,0|2,0,0]=4 147 B8R1.1 CN1C=NC(=C1)CN CDS017640 [1,1,0,0,0,0|2,0,0]=4 148 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [1,1,0,0,0,0|2,0,0]=4 149 B8R1.1 COC1=CN=C(S1)N CDS021689 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.1 COC1=NC(=CS1)Br SYX00375 [1,1,0,0,0,0|2,0,0]=4 151 B8R1.1 COC1=NC=C(S1)Br SYX00323 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [1,1,0,0,0,0|2,0,0]=4 153 B8R1.1 N#CC1=CC(=CS1)Br CDS003609 [1,1,0,0,0,0|0,0,2]=4 154 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [1,1,0,0,0,0|0,0,0]=2 155 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [1,1,0,0,0,0|0,0,0]=2 156 B8R1.1 NCC1=NN=C(S1)N CBR02379 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [1,1,0,0,0,0|1,0,0]=3 158 B8R1.1 OCC1=CC=C(S1)F PHB00247 [1,1,0,0,0,0|1,0,0]=3 159 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.7 CC(N)C1=CC=CS1 BOG00116 [1,1,0,0,0,0|0,0,0]=2 162 B8R1.7 CC(N)C1=CC=CS1 CDS002035 [1,1,0,0,0,0|0,0,0]=2 163 B8R1.7 CC(N)C1=CSC=C1 CBR01452 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.7 CC(N)C1=NOC=C1 CDS017372 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,1,0,0,0,0|0,1,1]=4 166 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,1,0,0,0,0|1,0,1]=4 167 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,1,0,0,0,0|1,0,1]=4 168 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,1,0,0,0,0|1,0,1]=4 169 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,1,0,0,0,0|0,1,1]=4 170 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [1,1,0,0,0,0|0,0,1]=3 171 B8R1.11 CC1=C(C=CO1)CN CDS019848 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.11 CC1=C(NC=N1)CN CBR01683 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.11 CC1=C(SC=C1)CN CDS015230 [1,1,0,0,0,0|0,0,0]=2 174 B8R1.11 CN1C=CN=C1CN CDS002678 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [0,1,0,0,0,1|2,0,0]=4 176 B10R1.1 CC1=CC=C(C=N1)CNN PH019120 [0,1,0,0,0,1|2,0,0]=4 177 B10R1.1 CC1=CN=C(C=C1)CNN PH019260 [0,1,0,0,0,1|2,0,0]=4 178 B10R1.1 CC1=CN=C(C=N1)CNN PH019269 [0,1,0,0,0,1|2,0,0]=4 179 B10R1.1 CC1=NC=C(C=C1)CCN CDS023206 [0,1,0,0,0,1|1,0,0]=3 180 B10R1.1 CCCC1=CC=C(C=C1)Cl CDS002895 [0,1,0,0,0,1|2,0,0]=4 181 B10R1.1 FC1=CC=C(C=C1)CCCl CDS020717 [0,1,0,0,0,1|2,0,0]=4 182 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [0,1,0,0,0,1|2,0,0]=4 183 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [0,1,0,0,0,1|2,0,0]=4 184 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [0,1,0,0,0,1|1,0,0]=3 185 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [0,1,0,0,0,1|1,0,0]=3 186 B10R1.4 CC1=NC=CC=C1CNN PH019261 [0,1,0,0,0,1|2,0,0]=4 187 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [0,1,0,0,0,1|1,0,0]=3 188 B10R1.4 NCCN1C=CC=CC1=O PH019084 [0,1,0,0,0,1|2,0,0]=4 189 B10R1.4 NCCN1C=CC=CC1=O T300829 [0,1,0,0,0,1|2,0,0]=4 190 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [0,1,0,0,0,1|2,0,0]=4 191 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [0,1,0,0,0,1|2,0,0]=4 192 B10R1.10 CC1=CC=CC(=N1)CCN CBR01608 [0,1,0,0,0,1|1,0,0]=3 193 B10R1.10 CC1=CC=CC(=N1)CNN PH019298 [0,1,0,0,0,1|2,0,0]=4 194 B10R1.10 CC1=NC(=CC=C1)CCBr CBR02390 [0,1,0,0,0,1|2,0,0]=4 195 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [0,1,0,0,0,1|2,0,0]=4 196 B10R1.10 CCCC1=CC(=CC=C1)O CDS001518 [0,1,0,0,0,1|2,0,0]=4 197 B10R1.10 FC1=CC=CC(=C1)CCBr CDS000178 [0,1,0,0,0,1|2,0,0]=4 198 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [0,1,0,0,0,1|2,0,0]=4 199 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [0,1,0,0,0,1|2,0,0]=4 200 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [0,1,0,0,0,1|2,0,0]=4 201 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,1,0,0,0,1|2,0,0]=4 202 B10R1.15 CCC(N)C1=CC=CC=N1 CBR00661 [0,1,0,0,0,1|2,0,0]=4 203 B10R1.15 CCC(N)C1=CC=CN=C1 CBR00143 [0,1,0,0,0,1|2,0,0]=4 204 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,1,0,0,0,1|2,0,0]=4 205 B10R1.15 ClCC(Cl)C1=CC=CC=C1 PH010970 [0,1,0,0,0,1|2,0,0]=4 206 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [0,1,0,0,0,1|2,0,0]=4 207 B10R1.15 NC(CO)C1=CC=CN=C1 CDS010268 [0,1,0,0,0,1|2,0,0]=4 208 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,1,0,0,0,1|1,0,1]=4 209 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,1,0,0,0,1|1,0,0]=3 210 B10R1.15 OC(CBr)C1=CC=CC=N1 PH013752 [0,1,0,0,0,1|2,0,0]=4 211 B10R1.17 BrCCNC1=CC=CC=C1 S374776 [0,1,0,0,0,1|2,0,0]=4 212 B10R1.17 BrCCSC1=CC=CC=C1 PH011242 [0,1,0,0,0,1|2,0,0]=4 213 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [0,1,0,0,0,1|1,0,1]=4 214 B10R1.17 CCNCC1=NC=CC=C1 CBR00044 [0,1,0,0,0,1|2,0,0]=4 215 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [0,1,0,0,0,1|1,0,0]=3 216 B10R1.17 CNCCC1=NC=CC=C1 R750492 [0,1,0,0,0,1|1,0,0]=3 217 B10R1.17 COCCC1=CC=NC=C1 PH007374 [0,1,0,0,0,1|2,0,0]=4 218 B10R1.17 CSCCC1=NC=CC=C1 PH007369 [0,1,0,0,0,1|2,0,0]=4 219 B10R1.17 ClCCCC1=CC=CC=N1 CDS021720 [0,1,0,0,0,1|2,0,0]=4 220 B10R1.17 N#CCCC1=NC=CC=C1 CBR00364 [0,1,0,0,0,1|1,0,1]=4 221 B10R1.17 NCCCC1=CN=CN=C1 PH019029 [0,1,0,0,0,1|2,0,0]=4 222 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [0,1,0,0,0,1|1,0,0]=3 223 B10R1.17 NNCCC1=CC=CN=C1 PH019024 [0,1,0,0,0,1|1,0,0]=3 224 B10R1.17 [C-]#[N+]CCC1=NC=CC=C1 PH015418 [0,1,0,0,0,1|1,0,1]=4 225 B10R1.17 [SiH3]CCCC1=CC=CC=C1 S833584 [0,1,0,0,0,1|2,0,0]=4 226 B10R1.18 CC(N)CC1=CN=CC=C1 CBR01601 [0,1,0,0,0,1|1,0,0]=3 227 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [0,1,0,0,0,1|1,0,1]=4 229 B10R1.14 CCC(=O)C1=CC=C(S1)Br CBR01166 [0,2,0,0,0,0|1,0,1]=4 230 B10R1.14 CCC(=O)C1=CC=C(S1)C CBR00320 [0,2,0,0,0,0|1,0,1]=4 231 B10R1.14 O=C(CBr)C1=CC=C(S1)Cl CDS003755 [0,2,0,0,0,0|1,0,1]=4 232 B10R1.16 C(=O)CCC1=CC=C(O1)C L159719 [0,2,0,0,0,0|1,1,0]=4 233 B10R1.16 C=CCCC1=CC=C(O1)C L159794 [0,2,0,0,0,0|1,1,0]=4 234 B10R1.16 CC1=CN(N=C1)CCCN CBR01365 [0,2,0,0,0,0|2,0,0]=4 235 B10R1.16 CC1=CSC(=N1)CCCN CBR01449 [0,2,0,0,0,0|1,0,0]=3 236 B10R1.16 CC1=CSC(=N1)CCCN OTV000604 [0,2,0,0,0,0|1,0,0]=3 237 B10R1.16 NCCCC1=CSC(=N1)N CBR00631 [0,2,0,0,0,0|2,0,0]=4 238 B10R1.54 CC(C)CC1=CN=C(S1)N CDS024375 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.54 CC1=CSC(=N1)CC(=S)N PH015021 [0,2,0,0,0,0|1,0,1]=4 240 B10R1.54 NC(=S)CC1=NC(=CS1)O CDS020920 [0,2,0,0,0,0|1,0,1]=4 241 B10R1.96 CCC1=CSC(=N1)CCN PH019256 [0,2,0,0,0,0|1,0,0]=3 242 B10R1.96 CCCC1=NC(=CS1)CN CBR00885 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.131 CC1=C(SC(=N1)CCN)C CBR00642 [0,2,0,0,0,0|1,0,0]=3 244 B10R1.9 COC(CN)C1=CC=CS1 CBR01293 [0,2,0,0,0,0|0,0,0]=2 245 B10R1.11 CCCC(=O)C1=CC=CO1 S593230 [0,2,0,0,0,0|1,1,0]=4 246 B10R1.11 CCCC(=O)C1=CC=CS1 S410160 [0,2,0,0,0,0|1,0,0]=3 247 B10R1.11 CCCC(N)C1=CC=CS1 CBR00906 [0,2,0,0,0,0|1,0,0]=3 248 B10R1.11 CNC[C@@H](O)C1=CC=CO1 PH008825 [0,2,0,0,0,0|0,1,0]=3 249 B10R1.149 O=C(CBr)C1=C(C=CS1)Cl CDS014953 [0,2,0,0,0,0|1,0,1]=4 250 B10R1.21 CCNCCN1C=CC=N1 CBR01928 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.21 CNCCCN1C=CC=N1 CBR00276 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.27 N/C(=N\O)/CC1=CC=CS1 BOG00085 [0,2,0,0,0,0|0,0,1]=3 253 B10R1.29 CN1C=CN=C1SCCN CBR01010 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.29 CNCCC1=C(N=CS1)C PH016266 [0,2,0,0,0,0|1,0,0]=3 255 B10R1.66 CC(C)/N=C/C1=CC=CS1 PH000588 [0,2,0,0,0,0|1,0,1]=4 256 B10R1.66 CC(N)CCN1C=CC=N1 CBR01361 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.66 NC(=S)NCC1=CC=CO1 CDS004582 [0,2,0,0,0,0|0,1,1]=4 258 B8R1.2 NCC1=CC=CC=C1 S696684 [0,0,1,1,0,0|1,0,1]=4 259 B8R1.2 NCC1=CN=CC=C1 S763780 [0,0,1,1,0,0|1,0,1]=4 260 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [0,0,0,1,0,1|2,0,0]=4 261 B10R2.2 NC1=NC2=C(S1)CCC2 S454753 [0,1,0,1,0,0|2,0,0]=4 262 B10R2.2 NC1=NC2=C(S1)SC=C2 CDS024425 [0,1,0,1,0,0|1,0,1]=4 263 B10R2.32 NC1CCC2=C1C=CS2 CDS009121 [0,1,0,1,0,0|0,0,0]=2 264 B10R2.136 C1=CNC(=N1)C2CNC2 PH019517 [0,1,0,1,0,0|2,0,0]=4