0 B10R1.20 C#CC1=CC=CC=C1C#N CDS017415 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.20 C=CC1=C(C=CC=C1)CO R751626 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.20 CNC1=CC=CC=C1C#N PH010322 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.20 CNC1=CC=CN=C1NC PH018784 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.20 COC1=CC=CC=C1NN S264407 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.20 COC1=CC=CC=C1[Hg]Cl S826243 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,0,0,0,0,0|1,1,1]=3 10 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,0,0,0,0,0|0,1,2]=3 11 B10R1.20 O=CC1=C(C=CC=C1)[Te]Br S50270 [0,0,0,0,0,0|1,1,0]=2 12 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.15 C(=O)C1=C(C=CC=C1)[O-] S17079 [1,0,0,0,0,0|0,0,1]=2 14 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 CC1=C(C=CC=C1)[IH2]=O T330531 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.15 CCN1C=CC=CC1=O S683159 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.15 CC[N+]1=C(C=CC=C1)Br S765686 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 CC[N+]1=CC=CC=C1N S142549 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 COC1=C(C=NC=C1)I ADE000651 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 COC1=C(CC=CC1)C S864811 [1,0,0,0,0,0|0,0,3]=4 29 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.15 COC1=CC=NC=C1Br CDS007984 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.15 COC1=NC=CN=C1I SYX00132 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 N#[N+]C1=C(C=CC=C1)Cl R288675 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 NC1=C(N=CC=C1)C=O CDS022545 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.15 NC1=CN=CC=C1C=O ADE000254 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.15 NCC1=C(C=CC=C1)O CDS008020 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.15 NCC1=CC=CC=C1Br T151114 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.15 O=CC1=NC=CC=C1Br CDS005333 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.15 OCC1=CC=CC=N1O S459240 [1,0,0,0,0,0|1,0,2]=4 41 B9R1.15 OCC1=NC=CC=C1O R578177 [1,0,0,0,0,0|1,0,2]=4 42 B11R1.37 C(=O)C1=C(C=CC(=C1)Cl)OC CDS005116 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.37 COC1=C(C=CC(=C1)Cl)C#N T153745 [0,1,0,0,0,0|1,0,1]=3 45 B11R1.37 COC1=C(C=CC(=C1)N)C#N CDS021034 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.37 COC1=C(C=CC(=N1)C)C#N PH011165 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.37 COC1=CC(=CC=C1CO)C PH017728 [0,1,0,0,0,0|0,0,2]=3 52 B11R1.37 COC1=CC(=CC=C1CO)O CDS003654 [0,1,0,0,0,0|0,0,2]=3 53 B11R1.37 COC1=CC(=CN=C1C#N)Br ADE000496 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.37 COC1=CC(=CN=C1C=O)Br ADE000491 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.37 COC1=CC(=CN=C1CO)Br ADE000508 [0,1,0,0,0,0|1,0,2]=4 56 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.37 COC1=CC=C(C=C1C=O)O CDS008229 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.37 COC1=CC=C(C=C1CCl)C CDS022279 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.37 COC1=CC=C(C=C1CO)F CDS020828 [0,1,0,0,0,0|0,0,2]=3 62 B11R1.37 COC1=CC=C(C=C1NN)Cl CBR00784 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.37 COC1=NC=C(C=C1C#N)C ADE000781 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.37 COC1=NC=C(C=C1C=O)C ADE000766 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.37 COC1=NC=C(C=C1C=O)Cl ADE000180 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.37 COC1=NC=C(C=C1CO)Cl ADE000185 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.37 N#CC1=CC(=CC=C1C=O)Br CDS003721 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.37 N#CC1=CC(=CC=C1C=O)F CDS003658 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.41 C(=N/O)\C1=CC=CC=C1OC S922153 [0,1,0,0,0,0|0,0,1]=2 72 B11R1.41 CCC1=C(C=CC=C1)NC=O S623350 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,1,0,0,0,0|1,0,2]=4 75 B11R1.41 CCNC1=NC=CC=C1OC VBP00022 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.41 CCOC1=CC=CN=C1NC VBP00005 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,1,0,0,0,0|0,1,1]=3 78 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.41 CSC1=CC=CC=C1CC#N PH002491 [0,1,0,0,0,0|1,1,1]=4 80 B11R1.41 O=CC1=C(C=CC=C1)CCBr PH009837 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.53 C(=O)C1=CC=CC=C1C(F)F MNO000206 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.53 C=CC1=CC=CC=C1B(O)O CDS001023 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.53 C=CC1=CC=CC=C1C(=O)O CDS020003 [0,1,0,0,0,0|1,0,1]=3 84 B11R1.53 CC(=O)C1=C(C=CC=C1)C#N CDS017334 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.53 CC(C)C1=CC=CC=C1C=O CDS004427 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [0,1,0,0,0,0|1,0,0]=2 88 B11R1.53 CNC1=C(C=CC=C1)C(=O)O PH010971 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.53 CNC1=CC=CC=C1C(=O)O R462381 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.53 COC1=C(C=NC=N1)C(=O)O CDS021376 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.53 COC1=CC=CC=C1C(=N)N PH017180 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [0,1,0,0,0,0|0,0,0]=1 93 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,1,0,0,0,0|1,0,1]=3 95 B11R1.53 COC1=CN=CC=C1B(O)O CDS022391 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.53 N#CC1=CC=CC=C1C(=O)Cl CDS008574 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.53 NSC1=C(C=CC=C1)[N+](=O)[O-] T161500 [0,1,0,0,0,0|2,1,0]=4 99 B11R1.53 O=C(O)C1=CC=CC=C1CO PH003279 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.265 COC1=C(C(=CC=C1)O)C=O CDS001142 [0,1,0,0,0,0|0,0,0]=1 101 B11R1.265 COC1=C(C=CC=C1C=O)Br CDS023099 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.265 COC1=C(C=CC=C1C=O)Cl CDS021098 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.265 COC1=C(C=CN=C1Br)C=O ADE000176 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.265 COC1=CC=CC(=C1C=O)Cl CDS021003 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.265 COC1=CC=NC(=C1OC)Cl MNO000125 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.265 COC1=CN=CC(=C1C#N)N ADE000469 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.265 COC1=CN=CC(=C1OC)N ADE000479 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.265 COC1=NC=CC(=C1C#N)Cl CDS024004 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.265 COC1=NC=CC(=C1OC)I ADE000175 [0,1,0,0,0,0|3,0,0]=4 110 B11R2.1 BrC1=COC2=CC=CC=C12 CDS016824 [0,0,0,1,0,0|1,0,1]=3 111 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|3,0,0]=4 112 B11R2.1 CC1=NOC2=C1C=CC=C2 T328049 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.1 C[N+]1=CSC2=CC=CC=C12 R785695 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.1 ClC1=NOC2=C1C=CC=C2 PH002974 [0,0,0,1,0,0|2,0,0]=3 115 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000260 [0,0,0,1,0,0|2,1,0]=4 116 B11R2.1 ClC1=NSC2=CC=CC=C12 PH000929 [0,0,0,1,0,0|2,1,0]=4 117 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|3,0,0]=4 118 B11R2.1 NC1=NOC2=C1C=CC=C2 CDS013958 [0,0,0,1,0,0|2,0,0]=3 119 B11R2.1 NC1=NOC2=C1C=CC=N2 CBR00108 [0,0,0,1,0,0|3,0,0]=4 120 B11R2.1 NC1COC2=CC=CC=C12 CBR01411 [0,0,0,1,0,0|1,0,1]=3 121 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|2,0,0]=3 122 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|2,0,0]=3 123 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|1,1,1]=4 124 B11R2.20 C1=CC2=C(C=C1)C=NC=C2 R702455 [0,0,0,1,0,0|2,0,1]=4 125 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|2,0,1]=4 126 B11R2.20 C1=CC2=C(C=C1)[NH+]=CC=C2 S822752 [0,0,0,1,0,0|2,0,1]=4 127 B11R2.20 C1=CC=C2OCCNC2=C1 CDS019685 [0,0,0,1,0,0|2,0,0]=3 128 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,0,1,0,0|3,0,0]=4 129 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [0,0,0,1,0,0|3,0,0]=4 130 B11R2.20 C1=NC=C2CCCOC2=C1 ADE000002 [0,0,0,1,0,0|2,0,1]=4 131 B11R2.20 C1=NC=C2OCCNC2=C1 ADE001246 [0,0,0,1,0,0|3,0,0]=4 132 B11R2.20 P1CC=CC2=C1C=CC=C2 S835919 [0,0,0,1,0,0|2,0,0]=3 133 B9R1.14 C(=O)C1=CN=CN1CC CBR00006 [0,0,0,0,1,0|3,0,0]=4 134 B8R1.2 Br[Hg]C1=CC=CC=C1 S580678 [2,0,0,0,0,0|2,0,0]=4 135 B8R1.2 C(=O)C1=CN=CN=C1 CDS004733 [2,0,0,0,0,0|2,0,0]=4 136 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|1,0,0]=3 137 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|1,0,0]=3 138 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|1,0,0]=3 139 B8R1.2 COC1=NC=CC=N1 CDS005079 [2,0,0,0,0,0|2,0,0]=4 140 B8R1.2 I[Hg]C1=CC=CC=C1 S850020 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 142 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|1,0,0]=3 144 B8R1.2 [TlH2]SC1=CC=CC=C1 S828343 [2,0,0,0,0,0|1,1,0]=4 145 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.5 CC1=CN=CC=C1N CDS003217 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.5 C[N+]1=CC=CC=C1Cl S765678 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [2,0,0,0,0,0|1,1,0]=4 149 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.5 NC1=CC=CC=C1O S378569 [2,0,0,0,0,0|1,0,0]=3 152 B8R1.5 NC1=CC=CN=C1O CDS007860 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.5 O=C1C=CC=CN1[K] T160997 [2,0,0,0,0,0|2,0,0]=4 154 B8R1.5 O=C1NC=CC=C1Cl T161063 [2,0,0,0,0,0|2,0,0]=4 155 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.5 OC1=CN=CC=C1Br CDS021897 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.5 OC1=NC=CC=C1F CDS019950 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.2 CC1=C(C(=CC=C1)C#N)C S445304 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.2 CC1=C(C(=CC=C1)CBr)C CDS022040 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.2 CC1=C(C=CC=C1CO)Cl CDS023048 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.2 CC1=C(C=CC=C1NN)Cl CBR00783 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.2 CC1=CC=CC(=C1C)NN R436321 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.2 COC1=C(C(=CC=C1)C)O L167932 [1,1,0,0,0,0|0,0,1]=3 165 B10R1.2 COC1=C(C(=NC=C1)N)I ADE000406 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.2 COC1=C(C(=NC=C1)N)N PH019206 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.2 COC1=CC=CC(=C1Cl)O CDS004291 [1,1,0,0,0,0|1,0,0]=3 168 B10R1.2 COC1=CC=CC(=C1N)Br CDS022850 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.2 COC1=CN=CC(=C1C)N ADE000538 [1,1,0,0,0,0|1,0,1]=4 170 B10R1.2 COC1=CN=CC(=C1Cl)N ADE000480 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.2 COC1=CN=CC(=C1I)N ADE000461 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.2 COC1=NC=CC(=C1Cl)O CDS024134 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.2 O=CC1=C(C(=CC=C1)O)Br CDS004521 [1,1,0,0,0,0|1,0,0]=3 174 B10R1.2 O=CC1=CC=CC(=C1F)Br CDS017326 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.2 O=CC1=CC=CC(=C1F)O PH015405 [1,1,0,0,0,0|1,0,0]=3 176 B10R1.4 C(=O)NC1=C(C=CC=C1)C S349992 [1,1,0,0,0,0|0,0,0]=2 177 B10R1.4 C(=O)NC1=C(C=CC=C1)Cl S775096 [1,1,0,0,0,0|1,0,0]=3 178 B10R1.4 C(=O)NC1=C(C=CC=C1)O S362476 [1,1,0,0,0,0|0,0,0]=2 179 B10R1.4 C=CSC1=CC=CC=C1N PH007227 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|1,0,1]=4 181 B10R1.4 CC1=C(N=CC=C1)NC=O S906697 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|1,0,1]=4 184 B10R1.4 CCOC1=CC=CC=C1F S362085 [1,1,0,0,0,0|1,0,0]=3 185 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [1,1,0,0,0,0|2,0,0]=4 186 B10R1.4 CCSC1=C(C=CC=C1)O PH000049 [1,1,0,0,0,0|0,1,1]=4 187 B10R1.4 CNCC1=CC=CC=C1O CDS000322 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.4 COCC1=CC=CC=C1Br CDS003612 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.4 CSCC1=CC=CC=C1Br S663395 [1,1,0,0,0,0|1,1,0]=4 190 B10R1.4 C[N+]1=CC=CC=C1/C=N/O R278505 [1,1,0,0,0,0|1,0,1]=4 191 B10R1.4 C[N+]1=CC=CC=C1C=NO S355097 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.4 NCCC1=CC=CC=C1N CDS005914 [1,1,0,0,0,0|2,0,0]=4 193 B10R1.4 NCCN1C=CC=CC1=O PH019084 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.4 NCCN1C=CC=CC1=O T300829 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.4 O/N=C/C1=CC=CC=C1F S550531 [1,1,0,0,0,0|1,0,1]=4 196 B10R1.4 O=C1C=CC=CN1CCO T161284 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.4 O=CCC1=CC=CC=C1Br CDS018605 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.4 O=CNC1=C(C=CC=C1)F PH008157 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.25 C(=O)C1=C(C=C(C=C1)N)Cl R538892 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.25 C(=O)C1=CC=C(C=C1Br)F CDS002990 [1,1,0,0,0,0|1,0,0]=3 201 B10R1.25 CC1=C(C=CC(=C1)Cl)CN CDS002975 [1,1,0,0,0,0|1,0,1]=4 202 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [1,1,0,0,0,0|1,0,1]=4 203 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [1,1,0,0,0,0|1,0,1]=4 204 B10R1.25 CC1=CC(=CC=C1C#N)N CDS015445 [1,1,0,0,0,0|1,0,1]=4 205 B10R1.25 CC1=CC(=CC=C1C=O)O CDS005358 [1,1,0,0,0,0|0,0,0]=2 206 B10R1.25 CC1=CC(=CC=C1N=O)O S418927 [1,1,0,0,0,0|1,0,0]=3 207 B10R1.25 CC1=CC=C(C(=C1)C)C#N S441414 [1,1,0,0,0,0|1,0,1]=4 208 B10R1.25 CC1=CN=C(C(=C1)F)C=O PH018817 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.25 COC1=C(C=C(C=C1)Br)Cl EME00072 [1,1,0,0,0,0|1,0,0]=3 210 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.25 COC1=CC=C(C=C1O)Br PH011786 [1,1,0,0,0,0|0,0,1]=3 214 B10R1.25 COC1=CC=C(C=C1O)F CDS003450 [1,1,0,0,0,0|0,0,1]=3 215 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.25 COC1=CC=[N+](C=C1C)C S580449 [1,1,0,0,0,0|1,0,1]=4 218 B10R1.25 COC1=NC=C(C=C1I)Br ADE000276 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.25 COC1=NC=C(C=C1I)C ADE000726 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.25 COC1=NC=C(C=C1I)Cl ADE000169 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.25 COC1=NC=C(C=C1N)Br ADE000451 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 COC1=NC=C(C=C1O)C ADE000770 [1,1,0,0,0,0|1,0,1]=4 223 B10R1.25 COC1=NC=C(C=C1O)Cl ADE000171 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.25 O=CC1=C(C=C(C=C1)Cl)F CDS006860 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.25 O=CC1=CC=C(C=C1Cl)Br CDS017413 [1,1,0,0,0,0|1,0,0]=3 226 B10R1.25 O=CC1=CC=C(N=C1Cl)Br ADE000570 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.30 C(=O)C1=C(C=CC(=C1)Br)C CDS022175 [1,1,0,0,0,0|0,0,0]=2 228 B10R1.30 C(=O)C1=CC(=NC=C1Br)Br SYX00333 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.30 CC1=C(C=C(C=C1)F)CO CDS010632 [1,1,0,0,0,0|0,0,2]=4 230 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [1,1,0,0,0,0|0,0,2]=4 233 B10R1.30 CC1=CC=C(C=C1C=O)Cl CDS023449 [1,1,0,0,0,0|0,0,0]=2 234 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [1,1,0,0,0,0|1,0,1]=4 235 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.30 CC1=CN=C(C(=C1)C=O)Cl ADE000744 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.30 CC1=CN=C(C(=C1)C=O)N ADE000734 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.30 CNC1=CC(=CC=C1Cl)Cl PH010253 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.30 COC1=C(N=CC(=C1)O)I ADE000212 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.30 COC1=CC(=CC=C1F)Br CDS003857 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.30 COC1=CC(=CC=C1F)N CDS003196 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.30 COC1=CC(=CC=C1I)C CDS021197 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [1,1,0,0,0,0|0,0,1]=3 250 B10R1.30 COC1=CC(=CN=C1Br)Br ADE000499 [1,1,0,0,0,0|2,0,0]=4 251 B10R1.30 COC1=CC(=CN=C1Br)I ADE000493 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.30 COC1=CC(=CN=C1Cl)C ADE000750 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.30 COC1=CC(=CN=C1Cl)Cl ADE000192 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.30 COC1=CC(=CN=C1I)Br ADE000418 [1,1,0,0,0,0|2,0,0]=4 255 B10R1.30 COC1=CC(=CN=C1I)I ADE000564 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.30 COC1=CC(=O)C=CC1=O PH009842 [1,1,0,0,0,0|0,0,0]=2 257 B10R1.30 CSC1=CC(=CC=C1Cl)Cl S393142 [1,1,0,0,0,0|1,1,0]=4 258 B10R1.30 N#CC1=C(C=CC(=C1)N)O CBR02119 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.30 NC1=C(C=C(C=C1)Br)C=O PHB00107 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.30 NC1=CC=C(C=C1C=O)Cl CDS015233 [1,1,0,0,0,0|1,0,0]=3 261 B10R1.30 NC1=NC=C(C=C1C=O)F ADE000398 [1,1,0,0,0,0|2,0,0]=4 262 B10R1.30 NC1=NC=C(C=C1C=O)I ADE000277 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.30 O=CC1=C(C=CC(=N1)Br)F ANV00087 [1,1,0,0,0,0|2,0,0]=4 265 B10R1.30 O=CC1=CC(=CC=C1Cl)F CDS003158 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.30 O=CC1=CC(=CN=C1Cl)Br ADE000401 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.30 O=CC1=CC(=CN=C1Cl)Cl ADE000188 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.30 O=CC1=CC(=CN=C1Cl)F ADE000400 [1,1,0,0,0,0|2,0,0]=4 269 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [1,1,0,0,0,0|0,0,2]=4 270 B10R1.61 C=C(C)C1=C(C=CC=C1)Cl PH015499 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [1,1,0,0,0,0|2,0,0]=4 275 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|0,1,0]=3 276 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.61 CC1=C(C=NC=C1)C(=O)O CDS013547 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|1,0,0]=3 279 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|1,0,1]=4 280 B10R1.61 CC1=NC=NC=C1C(=O)O CBR00009 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [1,1,0,0,0,0|1,0,0]=3 283 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.61 NC1=CC=CN=C1C(=O)O CDS003125 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|0,0,0]=2 289 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|0,0,0]=2 290 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|0,0,0]=2 293 B10R1.61 O=C([O-])C1=CC=CC=[N+]1[O-] S290874 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.61 O=[N+]([O-])C1=C(C=CC=C1)S PH000267 [1,1,0,0,0,0|1,1,0]=4 295 B10R1.61 O=[N+]([O-])C1=CC=CC=C1[O-] S682810 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.61 OB(O)C1=CC=CC=C1O CDS000901 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.61 OC1=C(C=CC=C1)C(=S)S R465135 [1,1,0,0,0,0|0,1,0]=3 298 B10R1.245 C(=O)C1=C(C=CN=C1F)Br SYX00399 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.245 C(=O)C1=C(C=CN=C1F)I SYX00351 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.245 C(=O)C1=C(C=NC=C1F)F CDS009040 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.245 CC1=C(C(=CC=C1)Br)C=O CDS024325 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.245 CC1=C(C(=CC=C1)Cl)CN CDS000918 [1,1,0,0,0,0|1,0,1]=4 303 B10R1.245 CC1=CC=CC(=C1CBr)C CDS022041 [1,1,0,0,0,0|1,0,1]=4 304 B10R1.245 CC1=CC=CC(=C1CBr)F CDS020960 [1,1,0,0,0,0|1,0,1]=4 305 B10R1.245 CC1=CC=CC(=C1CO)C PH002994 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.245 COC1=C(C=CC=C1Br)N CDS023930 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.245 COC1=C(C=CC=C1Cl)F CDS002901 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.245 COC1=C(C=CN=C1Br)I ADE000177 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.245 COC1=C(C=CN=C1Br)O ADE000159 [1,1,0,0,0,0|1,0,1]=4 310 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.245 O=CC1=C(C=CN=C1Cl)O CDS023887 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.39 CCC1=CNC=C1C(=O)C L164054 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.39 CCN1C=CC=C1C(=O)C CDS003863 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.39 COC1=C(OC=C1)C(=O)C T285056 [0,1,0,0,1,0|1,0,0]=3 315 B10R1.39 COC1=C(OC=C1)C(=O)O T284718 [0,1,0,0,1,0|1,0,0]=3 316 B10R1.39 COC1=CSC=C1C(=O)O CDS015143 [0,1,0,0,1,0|1,0,0]=3 317 B12R1.46 CC1=CC(=C(C=C1)N=N)C(=O)O S443069 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.46 CN(C)C1=C(C=CC(=C1)Br)C=O CDS023597 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.46 CNC1=CC=C(C=C1C(=O)N)Cl S681199 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.46 CNC1=CC=C(C=C1[N+](=O)[O-])C PH010710 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.46 COC1=C(C=C(C=C1)Br)C(=O)Cl R703273 [0,2,0,0,0,0|0,0,0]=2 322 B12R1.46 COC1=C(C=C(C=C1)Cl)C(C)O PH015455 [0,2,0,0,0,0|0,0,2]=4 323 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [0,2,0,0,0,0|0,0,0]=2 324 B12R1.46 COC1=CC=C(C=C1C(=O)C)C S883360 [0,2,0,0,0,0|0,0,0]=2 325 B12R1.46 COC1=CC=C(C=C1C(=O)N)Cl L255351 [0,2,0,0,0,0|0,0,0]=2 326 B12R1.46 COC1=CC=C(C=C1[N+](=O)[O-])Cl S426830 [0,2,0,0,0,0|1,0,0]=3 327 B12R1.46 COC1=NC=C(C=C1C(=O)C)C ADE000759 [0,2,0,0,0,0|1,0,0]=3 328 B12R1.46 COC1=NC=C(C=C1C(=O)O)C ADE000767 [0,2,0,0,0,0|1,0,0]=3 329 B12R1.46 COC1=NC=C(C=C1C(=O)O)Cl ADE000181 [0,2,0,0,0,0|1,0,0]=3 330 B12R1.46 COC1=NC=C(C=C1C(=O)O)F CDS015927 [0,2,0,0,0,0|1,0,0]=3 331 B12R1.46 COC1=NC=C(C=C1[N+](=O)[O-])Br ADE000429 [0,2,0,0,0,0|2,0,0]=4 332 B12R1.46 CSC1=C(C=C(C=C1)C)C(=O)C PH014774 [0,2,0,0,0,0|0,1,0]=3 333 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Br L255521 [0,2,0,0,0,0|0,1,0]=3 334 B12R1.46 CSC1=CC=C(C=C1C(=O)O)Cl L255505 [0,2,0,0,0,0|0,1,0]=3 335 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Br CDS013504 [0,2,0,0,0,0|2,0,0]=4 336 B12R1.46 O=CC1=CC=C(C=C1C(=O)O)Cl CDS009784 [0,2,0,0,0,0|2,0,0]=4 337 B12R1.57 CNC1=C(C=CC(=C1)C)[N+](=O)[O-] PH009432 [0,2,0,0,0,0|2,0,0]=4 338 B12R1.57 COC1=C(C=CC(=C1)Cl)C(=O)Cl PH016231 [0,2,0,0,0,0|0,0,0]=2 339 B12R1.57 COC1=CC(=CC=C1C(=O)C)Br JRD0836 [0,2,0,0,0,0|0,0,0]=2 340 B12R1.57 COC1=CC(=CN=C1C(=O)O)Br ADE000556 [0,2,0,0,0,0|1,0,0]=3 341 B12R1.57 NNC1=C(C=CC(=C1)Cl)C(=O)O PH001526 [0,2,0,0,0,0|2,0,0]=4 342 B12R1.57 O=CC1=CC(=CC=C1[N+](=O)[O-])Br CDS006053 [0,2,0,0,0,0|2,0,0]=4 343 B12R1.57 O=CC1=CC(=CC=C1[N+](=O)[O-])F CDS003069 [0,2,0,0,0,0|2,0,0]=4 344 B12R1.78 C#CC1=CC=C(C(=C1)OC)OC CDS008050 [0,2,0,0,0,0|2,0,0]=4 345 B12R1.78 COC1=C(C=C(C=C1)C=O)CCl TMT00282 [0,2,0,0,0,0|1,0,1]=4 346 B12R1.78 COC1=CC(=CC=C1C#N)CBr CDS023567 [0,2,0,0,0,0|1,0,1]=4 347 B12R1.78 COC1=CC(=CC=C1CBr)C#N CDS022455 [0,2,0,0,0,0|1,0,1]=4 348 B12R1.78 COC1=CC=C(C(=C1)CCl)OC S808725 [0,2,0,0,0,0|1,0,1]=4 349 B12R1.78 COC1=CC=C(C(=C1)OC)[Hg]Cl S880906 [0,2,0,0,0,0|2,0,0]=4 350 B12R1.78 COC1=CC=C(C=C1CBr)C#N CDS024326 [0,2,0,0,0,0|1,0,1]=4 351 B12R1.112 C(=O)C1=C(C=CC(=C1)Br)OCC T341215 [0,2,0,0,0,0|0,0,0]=2 352 B12R1.112 CCOC1=C(C=C(C=C1)N)C#N CBR01501 [0,2,0,0,0,0|1,0,1]=4 353 B12R1.112 CCOC1=CC=C(C=C1C=O)Cl CDS020893 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.112 COC1=CC(=CN=C1/C=N/O)Br ADE000509 [0,2,0,0,0,0|1,0,1]=4 355 B12R1.234 C(=O)C1=C(C(=CC(=C1)Cl)Cl)OC R466166 [0,2,0,0,0,0|0,0,0]=2 356 B12R1.234 COC1=C(C=C(C=C1CN)F)F CDS001009 [0,2,0,0,0,0|1,0,1]=4 357 B12R1.268 CCOC1=CC(=CC=C1C=O)F CDS002377 [0,2,0,0,0,0|0,0,0]=2 358 B12R1.268 CCOC1=CC(=CC=C1OC)O S330612 [0,2,0,0,0,0|1,0,1]=4 359 B12R1.268 COC1=C(C=C(C=C1)Br)/C=N\O L169889 [0,2,0,0,0,0|0,0,1]=3 360 B12R1.268 COC1=C(C=C(C=C1)Br)CC#N PH011496 [0,2,0,0,0,0|1,0,1]=4 361 B12R1.268 COC1=C(C=C(C=C1)C)NC=O S623261 [0,2,0,0,0,0|0,0,0]=2 362 B12R1.268 COC1=C(C=C(C=C1)Cl)NC=O S702781 [0,2,0,0,0,0|0,0,0]=2 363 B12R1.448 COC1=C(C=C(C(=C1)Br)Br)OC S813826 [0,2,0,0,0,0|2,0,0]=4 364 B12R1.448 COC1=C(C=C(C(=C1)Br)I)OC S34569 [0,2,0,0,0,0|2,0,0]=4 365 B12R1.448 COC1=C(C=C(C(=C1)I)I)OC S843970 [0,2,0,0,0,0|2,0,0]=4 366 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS018619 [0,2,0,0,0,0|2,0,0]=4 367 B12R1.448 COC1=C(C=C(C(=C1)N)N)OC CDS019847 [0,2,0,0,0,0|2,0,0]=4 368 B12R1.448 COC1=CC(=C(C=C1CN)F)F CDS022320 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.75 C#CC1=C(C=CC=C1)OC(F)F CDS024260 [0,2,0,0,0,0|1,0,1]=4 370 B12R1.75 C(=O)C1=C(C=CC=C1)OC(=O)C R252476 [0,2,0,0,0,0|0,0,0]=2 371 B12R1.75 C(=O)C1=C(C=CC=C1)OC(C)C CDS002654 [0,2,0,0,0,0|0,0,0]=2 372 B12R1.75 CC(=O)NC1=CC=CC=C1C#N S192295 [0,2,0,0,0,0|2,0,0]=4 373 B12R1.75 CC(=O)OC1=CC=CC=C1C#N PH000056 [0,2,0,0,0,0|1,0,1]=4 374 B12R1.75 CC(C)OC1=NC=CC=C1C=O CDS001077 [0,2,0,0,0,0|1,0,0]=3 375 B12R1.75 CCC1=C(C=CC=C1)NC(=O)C S764914 [0,2,0,0,0,0|1,0,0]=3 376 B12R1.75 CCC1=CC=CC=C1NC(=O)N S641782 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.75 CN(C)CC1=CC=CC=C1C=O CDS011836 [0,2,0,0,0,0|1,0,0]=3 378 B12R1.75 COC1=C(C=CC=C1)CC(=N)N PH016267 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.75 COC1=C(C=CC=C1)CC(=O)N EME00432 [0,2,0,0,0,0|0,0,0]=2 380 B12R1.75 COC1=CC=CC=C1CN(C)N PH007520 [0,2,0,0,0,0|1,0,1]=4 381 B12R1.75 COC1=CC=CC=C1NC(=O)N S352535 [0,2,0,0,0,0|0,0,0]=2 382 B12R1.75 CSC1=C(C=CC=C1)NC(=O)C PH003618 [0,2,0,0,0,0|0,1,0]=3 383 B12R1.75 CSC1=CC=CC=C1CC(=O)O OTV000686 [0,2,0,0,0,0|0,1,0]=3 384 B12R1.75 N#CC1=CC=CC=C1CC(=O)O CDS011719 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.77 CC[C@H](N)C1=CC=CC=C1OC CDS015715 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.77 CNC(=O)C1=CC=CC=C1CO S872261 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,2,0,0,0,0|1,0,0]=3 388 B12R1.77 CNC(=S)C1=CC=CC=C1NC PH007472 [0,2,0,0,0,0|1,1,0]=4 389 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O KOB0002 [0,2,0,0,0,0|0,0,0]=2 390 B12R1.77 COC(=O)C1=C(C=CC=C1)SC PH011017 [0,2,0,0,0,0|0,1,0]=3 391 B12R1.77 COC(=O)C1=CC=CC=C1C#N S445398 [0,2,0,0,0,0|1,0,1]=4 392 B12R1.77 COC(=O)C1=CC=CC=C1CN CDS002791 [0,2,0,0,0,0|1,0,1]=4 393 B12R1.77 COC1=CC=CC=C1/C(=N/O)/N PH011002 [0,2,0,0,0,0|0,0,1]=3 394 B12R1.77 COC1=CC=CC=C1/C(=N\O)/C S681385 [0,2,0,0,0,0|0,0,1]=3 395 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,2,0,0,0,0|0,0,0]=2 396 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO S62120 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.121 C=CCOC1=CC=CC=C1CO CDS022711 [0,2,0,0,0,0|0,0,2]=4 398 B12R1.121 C=CCOC1=CC=CC=C1OC S340782 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.121 CCCOC1=CC=CC=C1CO CDS022874 [0,2,0,0,0,0|0,0,2]=4 400 B12R1.121 COC1=C(C=CC=C1)CCCO S97595 [0,2,0,0,0,0|0,0,2]=4 401 B12R1.121 COC1=C(C=CC=C1)OCCN CDS000191 [0,2,0,0,0,0|1,0,1]=4 402 B12R1.121 COC1=C(C=CC=C1)OCCN PH009790 [0,2,0,0,0,0|1,0,1]=4 403 B12R1.121 COC1=CC=CC=C1CCCBr PH009801 [0,2,0,0,0,0|1,0,1]=4 404 B12R1.121 COC1=CC=CC=C1CCCN CDS008328 [0,2,0,0,0,0|1,0,1]=4 405 B12R1.121 COC1=CC=CC=C1OCCCl R549363 [0,2,0,0,0,0|1,0,1]=4 406 B12R1.121 COCOC1=C(C=CC=C1)C=O PH008423 [0,2,0,0,0,0|0,0,0]=2 407 B12R1.121 N#CCOC1=CC=CC=C1C#N L255912 [0,2,0,0,0,0|1,0,1]=4 408 B12R1.121 O=CC1=C(C=CC=C1)OCCO CDS000425 [0,2,0,0,0,0|0,0,0]=2 409 B12R1.169 C(=O)NC1=C(C=CC=C1)OCC S516651 [0,2,0,0,0,0|0,0,0]=2 410 B12R1.169 CCOC1=C(C=CC=C1)/C=N\O L169870 [0,2,0,0,0,0|0,0,1]=3 411 B12R1.169 CCOC1=CC=CC=C1CC#N PH011505 [0,2,0,0,0,0|1,0,1]=4 412 B12R1.169 CCOC1=CC=CC=C1N=C=S TMT00525 [0,2,0,0,0,0|0,1,1]=4 413 B12R1.169 CCOC1=CC=CC=C1OCC S430218 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [0,2,0,0,0,0|1,0,1]=4 415 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O PH011276 [0,2,0,0,0,0|1,0,0]=3 417 B12R1.283 CCSC1=CC=CC=C1[N+](=O)[O-] PH008699 [0,2,0,0,0,0|1,1,0]=4 418 B12R1.283 N#CCC1=CC=CC=C1C(=O)O CDS017971 [0,2,0,0,0,0|1,0,1]=4 419 B12R1.283 O=CNC1=C(C=CC=C1)[N+](=O)[O-] S636142 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [0,2,0,0,0,0|1,0,1]=4 421 B12R1.542 COC1=C(C=CC=C1Cl)NC=O S623334 [0,2,0,0,0,0|0,0,0]=2 422 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)C PH011701 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.76 COC1=CC=CC=C1P(=O)(O)O S915688 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.76 COC1=CC=CC=C1S(=O)(=O)Cl CDS007595 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.76 COC1=CC=CC=C1S(=O)(=O)O PH017869 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.76 CS(=O)(=O)C1=CC=CC=C1C=O CDS023397 [0,2,0,0,0,0|0,1,0]=3 427 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl PH006828 [0,2,0,0,0,0|1,1,0]=4 428 B12R1.87 COC1=C(C=CC=C1B(O)O)C CDS022393 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.87 COC1=C(C=CC=C1B(O)O)F CDS006453 [0,2,0,0,0,0|1,0,1]=4 430 B12R1.87 COC1=C(C=CC=C1C(=O)O)F CDS011471 [0,2,0,0,0,0|0,0,0]=2 431 B12R1.87 COC1=C(C=CC=C1Cl)[N+](=O)[O-] S461369 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CDS021442 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O CDS006024 [0,2,0,0,0,0|2,0,0]=4 434 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)N S354791 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)[O-] L132101 [0,2,0,0,0,0|2,0,0]=4 436 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O CDS004617 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.261 O=C(O)C1=CC=CC=C1S(=O)O S986054 [0,2,0,0,0,0|1,1,0]=4 438 B12R1.437 COC1=C(C(=CC=C1)Br)C(=O)O CDS021573 [0,2,0,0,0,0|0,0,0]=2 439 B12R1.437 COC1=CC=CC(=C1C(=O)O)C CBR02263 [0,2,0,0,0,0|0,0,0]=2 440 B12R1.437 COC1=CC=CC(=C1C(=O)O)Cl CDS020805 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.437 COC1=CC=CC(=C1[N+](=O)[O-])F CDS011869 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.437 COC1=CN=CC(=C1C(=O)O)N ADE000470 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.741 COC1=C(C(=CC=C1F)F)C#N MNO000052 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.741 COC1=C(C(=CN=C1Cl)Cl)C=O ADE000227 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.1879 COC1=CC=CC(=C1C#N)OC R427128 [0,2,0,0,0,0|1,0,1]=4 446 B12R1.1879 COC1=CC=CC(=C1CN)OC T151130 [0,2,0,0,0,0|1,0,1]=4 447 B12R1.1879 COC1=CC=CC(=C1OC)SC R160598 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.1879 COC1=CC=CC(=C1OC)SC S468444 [0,2,0,0,0,0|2,0,0]=4 449 B12R1.1879 N#CC1=CC=CC(=C1C=O)C#N CDS024374 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,1,1,0,0|1,0,0]=3 451 B10R1.161 COC1=CC=CC=CC=C1 T179892 [0,0,1,1,0,0|1,0,0]=3 452 B10R1.176 COC1=CC(=C(C=C1)Br)F CDS003153 [0,0,1,1,0,0|2,0,0]=4 453 B10R1.176 COC1=CC(=C(C=C1)O)C T276596 [0,0,1,1,0,0|2,0,0]=4 454 B10R1.176 COC1=CC=C(C(=C1)Br)N CDS022893 [0,0,1,1,0,0|2,0,0]=4 455 B10R1.176 COC1=CC=C(C(=C1)C)Cl S514284 [0,0,1,1,0,0|2,0,0]=4 456 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,0,1,1,0,0|2,0,0]=4 457 B10R1.176 COC1=CC=C(C(=C1)O)Cl S452114 [0,0,1,1,0,0|1,0,1]=4 458 B10R1.176 COC1=CC=C(C(=C1)[S-])I ANV00045 [0,0,1,1,0,0|1,1,0]=4 459 B10R2.7 C1=CC2=C(C=C1)SCN2 S659142 [1,0,0,1,0,0|1,1,0]=4 460 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|1,0,1]=4 461 B10R2.7 C1=CC2=[N+](C=C1)CCO2 T161225 [1,0,0,1,0,0|1,0,1]=4 462 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|0,0,0]=2 463 B12R2.24 BrC1=CC=C2OCCNC2=C1 VBP00109 [0,1,0,1,0,0|2,0,0]=4 464 B12R2.24 CC1=NC2=CC=CC=C2SC1 PH013508 [0,1,0,1,0,0|1,1,0]=4 465 B12R2.24 CC1CNC2=CC=CC=C2O1 VBP00114 [0,1,0,1,0,0|2,0,0]=4 466 B12R2.24 C[N+]1=CC2=C(C=CC=C2)C=C1 S619213 [0,1,0,1,0,0|2,0,0]=4 467 B12R2.24 ClC1=CC=C2OCCNC2=C1 CDS016427 [0,1,0,1,0,0|2,0,0]=4 468 B12R2.24 ClC1=CC=C2OCCNC2=C1 VBP00272 [0,1,0,1,0,0|2,0,0]=4 469 B12R2.24 N=C1CSC2=C(N1)C=CC=C2 PH008148 [0,1,0,1,0,0|1,1,0]=4 470 B12R2.24 NC1=CC2=C(C=C1)OCOC2 TMT00023 [0,1,0,1,0,0|0,0,2]=4 471 B12R2.24 NC1COC2=CC=CC=C2C1 CBR01531 [0,1,0,1,0,0|1,0,1]=4 472 B12R2.24 NC1COC2=CC=CC=C2C1 CDS007242 [0,1,0,1,0,0|1,0,1]=4 473 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,1,0,1,0,0|1,0,0]=3 474 B12R2.24 O=C1COC2=CC=CC=C2C1 PH015428 [0,1,0,1,0,0|0,0,0]=2 475 B12R2.24 O=C1COC2=CC=NC=C2N1 ADE001248 [0,1,0,1,0,0|1,0,0]=3 476 B12R2.24 O=C1COC2=NC=CC=C2N1 ADE001249 [0,1,0,1,0,0|1,0,0]=3 477 B12R2.24 O=C1CSC2=NC=CC=C2N1 PH011261 [0,1,0,1,0,0|1,1,0]=4 478 B12R2.24 OC1=CC=C2OCCOC2=C1 CBR01871 [0,1,0,1,0,0|2,0,0]=4 479 B12R2.24 OC1CCC2=CC=CC=C2O1 PH008577 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.24 S=C1CCC2=C(N1)C=CC=C2 PH009536 [0,1,0,1,0,0|1,1,0]=4 481 B12R2.24 S=C1COC2=CC=CC=C2N1 PH000195 [0,1,0,1,0,0|0,1,0]=3 482 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|2,0,0]=4 483 B12R2.132 CC1=NOC2=CC=C(C=C12)Br CDS009348 [0,1,0,1,0,0|2,0,0]=4 484 B12R2.132 CN1N=CC2=CC=C(C=C12)N CDS009694 [0,1,0,1,0,0|2,0,0]=4 485 B12R2.132 NC1=CC2=C(C=C1)COC2=O S745197 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 CDS003996 [0,1,0,1,0,0|1,0,0]=3 487 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|1,1,0]=4 488 B12R2.612 CC1=NOC2=CC(=CC=C12)Br CDS003558 [0,1,0,1,0,0|2,0,0]=4 489 B12R2.612 CN1C=CC2=C1C=CC(=C2)N CDS014563 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CDS002180 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.612 NC1=NOC2=CC(=CC=C12)Br CDS008140 [0,1,0,1,0,0|2,0,0]=4 492 B12R2.612 O=C1CCC2=C1C=CC(=C2)S T285463 [0,1,0,1,0,0|1,0,0]=3 493 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|2,0,0]=4 494 B12R2.612 OC1=NOC2=C1C=CC(=C2)Cl CDS017027 [0,1,0,1,0,0|1,0,1]=4 495 B12R2.1 BrCC1=NOC2=CC=CC=C12 CDS008319 [0,1,0,1,0,0|2,0,0]=4 496 B12R2.18 C=C1SC2=C(N1C)C=CC=C2 PH003997 [0,1,0,1,0,0|2,0,0]=4 497 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S439762 [0,1,0,1,0,0|2,0,0]=4 498 B12R2.18 CC1=[N+](C2=C(S1)C=CC=C2)C S570850 [0,1,0,1,0,0|2,0,0]=4 499 B12R2.18 CN1C(=N)SC2=C1C=CC=C2 R306630 [0,1,0,1,0,0|2,0,0]=4 500 B12R2.18 CN1C(=NC2=C1C=CC=C2)N S11372 [0,1,0,1,0,0|2,0,0]=4 501 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,1,0,1,0,0|1,0,0]=3 502 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [0,1,0,1,0,0|1,1,0]=4 503 B12R2.18 CN1CC2=C(C1=O)C=CC=C2 S701564 [0,1,0,1,0,0|1,0,0]=3 504 B12R2.18 CN1SC2=C(C1=S)C=CC=C2 S875511 [0,1,0,1,0,0|0,2,0]=4 505 B12R2.18 C[N+]1=C(SC2=C1C=CC=C2)Cl S764973 [0,1,0,1,0,0|2,0,0]=4 506 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,1,0,1,0,0|2,0,0]=4 507 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,1,0,1,0,0|2,0,0]=4 508 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,1,0,1,0,0|2,0,0]=4 509 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [0,1,0,1,0,0|2,0,0]=4 510 B12R2.315 COC1=C2C=CNC2=CN=C1 ADE001011 [0,1,0,1,0,0|2,0,0]=4 511 B12R2.315 COC1=C2C=CNC2=NC=C1 ADE000907 [0,1,0,1,0,0|2,0,0]=4 512 B12R2.315 COC1=CC=CC2=C1CCN2 CDS009131 [0,1,0,1,0,0|1,0,1]=4 513 B12R2.315 COC1=CC=CC2=C1CNC2 CDS023355 [0,1,0,1,0,0|1,0,1]=4 514 B12R2.315 O=CC1=CC=CC2=NON=C12 PH009918 [0,1,0,1,0,0|1,0,0]=3 515 B12R2.1081 BrC1=CC=CC2=C1OCCO2 VBP00024 [0,1,0,1,0,0|2,0,0]=4 516 B12R2.1081 CC1=NCCC2=CC=CC=C12 T305197 [0,1,0,1,0,0|2,0,0]=4 517 B12R2.1081 C[N+]1=CC=CC2=C1C=CC=C2 S706817 [0,1,0,1,0,0|2,0,0]=4 518 B12R2.1081 O=C1C=CSC2=C1C=CC=C2 S849510 [0,1,0,1,0,0|0,1,1]=4 519 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [0,1,0,1,0,0|2,0,0]=4 520 B12R2.1081 O=C1CCCC2=CC=NC=C12 CDS009119 [0,1,0,1,0,0|2,0,0]=4 521 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|1,0,0]=3 522 B12R2.1081 O=C1COCC2=CC=CC=C12 PH016275 [0,1,0,1,0,0|0,0,0]=2 523 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|1,0,0]=3 524 B12R2.1081 O=C1ON=CC2=C1C=CC=C2 PH008604 [0,1,0,1,0,0|2,0,0]=4 525 B12R2.1081 O=S1CCNC2=CC=CC=C12 T324086 [0,1,0,1,0,0|2,0,0]=4 526 B12R2.1081 OC1=CC=CC2=C1C=CCC2 PH008627 [0,1,0,1,0,0|2,0,0]=4 527 B12R2.1081 [PbH2]1SOC(=O)C2=C1C=CC=C2 S839485 [0,1,0,1,0,0|1,1,0]=4 528 B12R2.2048 COC1=C(C=CC=C1)C2CC2 L168610 [0,1,0,1,0,0|1,0,1]=4 529 B12R2.2028 CC1=CN(C2=C1C=CC=C2)C S705845 [0,1,0,1,0,0|2,0,0]=4 530 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [0,1,0,1,0,0|1,0,0]=3 531 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|1,1,0]=4 532 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [0,1,0,1,0,0|2,0,0]=4 533 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [0,1,0,1,0,0|2,0,0]=4 534 B12R2.196 CN1C=CC2=C(C=CC=C12)N CDS005244 [0,1,0,1,0,0|2,0,0]=4 535 B12R2.196 NC1=NOC2=C(C=CC=C12)F CDS023613 [0,1,0,1,0,0|2,0,0]=4 536 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl JRD0942 [0,1,0,1,0,0|1,0,0]=3 537 B12R2.203 CN1N=CC2=CC=CC(=C12)Br SYX00127 [0,1,0,1,0,0|2,0,0]=4 538 B12R2.203 O=C1CCC2=C1C(=CC=C2)S T285455 [0,1,0,1,0,0|1,0,0]=3 539 B12R2.203 O=C1OCC2=C1C(=CC=C2)F S17389 [0,1,0,1,0,0|2,0,0]=4 540 B12R2.203 OC1=NOC2=C1C(=CC=C2)F CDS021320 [0,1,0,1,0,0|1,0,1]=4 541 B8R1.11 C(=O)C1=C(C=CN1)Cl T266418 [1,0,0,0,1,0|2,0,0]=4 542 B8R1.11 CC1=C(OC=C1)C=O CDS023087 [1,0,0,0,1,0|1,0,0]=3 543 B8R1.11 O=CC1=C(C=CO1)Br CDS004540 [1,0,0,0,1,0|2,0,0]=4 544 B8R1.11 O=CC1=C(SC=C1)Br CDS015492 [1,0,0,0,1,0|2,0,0]=4