0 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.15 C/C(=N\O)/C1=CC=NC=C1 S101478 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 C1(C=CCC=C1)C(=O)OC T175234 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C=C(OC)C1=CC=CC=C1 PH000315 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 CCC(=O)C1=NC=CC=C1 CDS007501 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 CCC(N)C1=CC=NC=C1 CBR01655 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 CNC(C)C1=CC=NC=N1 CBR00694 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 CSC(=N)C1=CC=NC=C1 BOG00224 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.15 CSC(=O)C1=CC=CC=C1 S918059 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.15 N/C(=N\O)/C1=CC=CC=C1 CDS001188 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 NCC(=O)C1=CC=NC=C1 PH019007 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.15 NCC(Cl)C1=CC=CC=C1 PH012604 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.15 NNC(=O)C1=CC=CC=C1 S463663 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.15 NNC(=O)C1=CC=CC=N1 CDS000511 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.15 O=C(CBr)C1=NC=CC=C1 CDS017722 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.15 O=C(N[O-])C1=CC=CC=C1 S453080 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.15 [Li]OS(=O)C1=CC=CC=C1 S301140 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.6 CC(C)C1=CC=NC=C1 R751863 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 CN(N)C1=CC=CC=C1 S416320 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.6 N=C(N)C1=NC=NC=C1 PH018567 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 O=C(Cl)C1=CC=CN=C1 TMT00021 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.6 O=C(Cl)C1=NC=CC=C1 CDS000333 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 O=C(O)C1=CC=CC=N1 S172049 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 O=C(O)C1=CC=CC=N1 S488666 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 O=C(O)C1C=CCC=C1 T167908 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.6 O=C([O-])C1=CC=CC=C1 S518174 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.6 O=S(O)C1=CC=CC=C1 S812617 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.6 OB(O)C1=CC=NC=C1 CDS006321 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 C(=N/O)\C1=CC=CC=C1 S893145 [1,0,0,0,0,0|2,0,1]=4 32 B9R1.8 CCCC1=CC=NC=C1 S573086 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.8 CNCC1=NC=NC=C1 PH017743 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.8 CNCC1=NC=NC=C1 PH019105 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.8 CNNC1=CC=CC=C1 PH012261 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.8 NOCC1=CC=CC=C1 CDS001502 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.8 SCCC1=CC=NC=C1 CDS000260 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.8 SCCC1=CC=NC=C1 CDS004770 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 PH015037 [1,0,0,0,0,0|1,0,2]=4 40 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.12 C(=O)C(C=O)C1=CC=NC=C1 L307416 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.12 O/C=C(\C=O)/C1=CC=NC=N1 TMT00404 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.16 CN/N=C(\N)/C1=CC=CC=C1 S32353 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.16 O=C(C#C[Cu])C1=CC=CC=C1 R252387 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.22 CC1=CC=C(C=C1)/C(=N/N)/C S323020 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.22 CC1=CC=C(C=C1)C(=O)C#N S34623 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.22 CC1=CC=C(C=C1)S(=O)NN R279870 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.22 CNC(=O)C1=CC=C(C=N1)Br CDS007754 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.22 CNC(=O)C1=CNC(=O)C=C1 EME00410 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.22 N#CC(=O)C1=CC=C(C=C1)Br S148997 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.23 CC1=CC(=CC=C1)C(=O)NN PH011383 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.23 CCC(=O)C1=CC=CC(=C1)C PH014761 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.23 CCC(=O)C1=CC=CC(=C1)N PH011160 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.23 CCC(=O)C1=CC=CC(=C1)O PH010905 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.23 CNC(=O)C1=CC(=CC=C1)N CDS003178 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.23 CNC(=O)C1=CC(=CC=C1)O EME00408 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.23 CNC(=O)C1=CC(=CC=N1)Cl CDS004290 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.23 CNC(=O)C1=CC(=NC=C1)Cl CBR00287 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.23 CNC(=O)C1=CC=CC(=C1)C PH007559 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.23 CNC(=O)C1=CC=CC(=C1)Cl PH011022 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.23 COC(=O)C1=CC(=NC=C1)I ADE000319 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.23 COC(=O)C1=CC=CC(=C1)F CDS020886 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.23 NNC(=O)C1=CC(=NC=C1)N ADE000173 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.23 NNC(=O)C1=CC=CC(=C1)Cl PH009753 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.23 NNC(=O)C1=CC=NC(=C1)Br CDS004845 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.23 NNC(=O)C1=NC(=CC=C1)I ADE000345 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.23 NNC(=O)C1=NC=CC(=C1)Cl ADE000343 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.23 O=C(NO)C1=CC(=CC=C1)Cl PH010173 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.36 CN(C)C(=S)C1=CC=NC=C1 PH007726 [0,1,0,0,0,0|1,1,0]=3 90 B11R1.36 CN(N)C(=N)C1=CC=CC=C1 S32361 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.222 CC1=C(C=CC=C1)C(=O)NN R435198 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.222 CC1=C(C=CC=C1)C(=O)NN S618985 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.222 CNC(=O)C1=C(C=CC=C1)N PH000108 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.222 CNC(=O)C1=CC=CC=C1C PH005184 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.222 CNC(=O)C1=CC=CC=C1S S662097 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.222 CNC(=O)C1=CC=CN=C1Cl VBP00050 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.222 CNC(=S)C1=C(C=CC=C1)N PH001535 [0,1,0,0,0,0|2,1,0]=4 98 B11R1.222 COC(=O)C1=C(C=NC=C1)O KOB0086 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.222 COC(=O)C1=C(C=NN=C1)C PHB00238 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.222 COC(=O)C1=CC=NC=C1N ANV00027 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.222 N#CC(=O)C1=C(C=CC=C1)Cl R996521 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.222 N#CC(=O)C1=C(C=CC=C1)F CDS020956 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.222 N#CC(=O)C1=CC=CC=C1I S944971 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.222 NC1=C(C=CC=C1)C(=O)NO PH006839 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.222 NNC(=O)C1=CC=CC=C1Br S945048 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.222 NNC(=O)C1=CC=CC=C1I S550361 [0,1,0,0,0,0|1,0,0]=2 107 B11R2.1 BrC1=NNC2=CN=CC=C12 BLN00004 [0,0,0,1,0,0|1,0,1]=3 108 B11R2.1 CC1=NNC2=CC=CC=C12 CDS006326 [0,0,0,1,0,0|2,0,1]=4 109 B11R2.1 ClC1=NNC2=C1C=CN=C2 BLN00007 [0,0,0,1,0,0|1,0,1]=3 110 B11R2.1 NC1=NNC2=C1C=CC=C2 CDS014250 [0,0,0,1,0,0|2,0,1]=4 111 B11R2.1 NC1=NNC2=CN=CC=C12 BLN00042 [0,0,0,1,0,0|1,0,1]=3 112 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [0,0,0,1,0,0|2,0,0]=3 113 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [0,0,0,1,0,0|3,0,0]=4 114 B11R2.1 SC1=CNC2=C1C=CC=C2 CDS014121 [0,0,0,1,0,0|2,1,0]=4 115 B11R2.239 C1=CC(=CC=N1)C2CNC2 PH019033 [0,0,0,1,0,0|2,0,1]=4 116 B9R1.11 C/C(=N\N)/C1=CC=CS1 L164542 [0,0,0,0,1,0|2,0,1]=4 117 B9R1.11 CCC(=O)C1=CC=CN1 CDS000726 [0,0,0,0,1,0|3,0,0]=4 118 B9R1.11 CCC(=O)C1=CC=CO1 CDS001525 [0,0,0,0,1,0|3,0,0]=4 119 B11R1.40 CC(CC1=CC=CC=C1)NN PH000293 [0,0,0,0,0,1|2,0,1]=4 120 B11R1.40 CCC(=O)OC1=CC=CC=C1 CDS000560 [0,0,0,0,0,1|3,0,0]=4 121 B11R1.40 CNC(=S)NC1=CC=CC=C1 S615188 [0,0,0,0,0,1|2,1,0]=4 122 B11R1.40 COC(=O)CC1=CC=NC=C1 PH014598 [0,0,0,0,0,1|2,0,0]=3 123 B11R1.40 COC(=O)NC1=CC=CC=C1 S717290 [0,0,0,0,0,1|3,0,0]=4 124 B11R1.40 NCC(=O)NC1=CC=CC=C1 TMT00170 [0,0,0,0,0,1|2,0,0]=3 125 B11R1.40 NNC(=O)OC1=CC=CC=C1 PH009655 [0,0,0,0,0,1|1,0,0]=2 126 B11R1.40 O=C(CBr)NC1=CC=CC=C1 CDS009932 [0,0,0,0,0,1|3,0,0]=4 127 B11R1.40 O=C(CC1=CC=CC=C1)O[Ag] S287369 [0,0,0,0,0,1|3,0,0]=4 128 B11R1.40 O=C(NO)NC1=CC=CC=C1 S716790 [0,0,0,0,0,1|2,0,0]=3 129 B8R1.2 C#CC1=CC=NC=C1 CDS000023 [2,0,0,0,0,0|1,0,1]=4 130 B8R1.2 C=CC1=CC=CC=C1 S460680 [2,0,0,0,0,0|2,0,0]=4 131 B8R1.2 C=CC1=CC=CC=C1 S461830 [2,0,0,0,0,0|2,0,0]=4 132 B8R1.2 C=CC1=CC=CC=C1 S462152 [2,0,0,0,0,0|2,0,0]=4 133 B8R1.2 NCC1=CC=CC=C1 S696684 [2,0,0,0,0,0|1,0,1]=4 134 B8R1.2 O=[Sb]C1=CC=CC=C1 S727148 [2,0,0,0,0,0|2,0,0]=4 135 B10R1.13 CC(=O)C1=CC=[N+](C=C1)C R228613 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.13 CC1=CC=C(C=C1)C(=N)N CDS004524 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.13 C[N+]1=CC=C(C=C1)C(=O)O S407054 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.13 N=C(N)C1=CC=C(C=C1)Cl CDS003585 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.13 N=C(N)C1=CC=C(C=C1)F CDS004472 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.13 N=C(N)C1=CC=C(C=C1)O L496618 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.13 N=C(N)C1=CC=C(C=C1)O PH016728 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.13 N=C(N)C1=CC=C(C=C1)O S761559 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.13 NC(=O)C1=CN=C(C=C1)O EME00449 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.13 NC(=S)C1=CC=C(C=C1)O CDS003997 [1,1,0,0,0,0|1,1,0]=4 145 B10R1.13 NC1=CC=C(C=C1)C(=O)O S820083 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] S571024 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.13 O=C([O-])C1=CC=C(C=C1)I S840890 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.61 CC1=C(C=CC=C1)C(=S)N PH010821 [1,1,0,0,0,0|1,1,0]=4 149 B10R1.61 CC1=C(C=CC=N1)C(=O)N PH011108 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.61 CC1=CC=CC=C1C(=N)N CDS008540 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.61 N=C(N)C1=CC=CC=C1Cl PH000434 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.61 N=C(N)C1=CC=CC=C1F PH010594 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.61 O=C(Cl)C1=C(C=NC=C1)Cl PH016871 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.61 O=C(O)C1=CC=CC=C1O R156981 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.61 O=C(O)C1=CC=CC=C1O S693014 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.61 O=C(O)C1=CC=NC=C1I CDS008728 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.61 O=C(O)C1=CC=NC=C1O CDS013887 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.61 O=C([O-])C1=C(C=CC=C1)O S171824 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.113 CC1=CC=CC(=C1)C(=S)N PH010828 [1,1,0,0,0,0|1,1,0]=4 160 B10R1.113 CC1=NC(=CC=N1)C(=O)O CBR01666 [1,1,0,0,0,0|2,0,0]=4 161 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N S626821 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.113 N=C(N)C1=CC=CC(=C1)O PH015280 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.113 NC(=O)C1=CC(=NC=C1)Br ADE000237 [1,1,0,0,0,0|0,0,0]=2 164 B10R1.113 NC(=O)C1=CC(=NC=C1)N ADE000162 [1,1,0,0,0,0|0,0,0]=2 165 B10R1.113 NC(=O)C1=CC=CC(=C1)Br TMT00344 [1,1,0,0,0,0|1,0,0]=3 166 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CDS003328 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.113 NC(=O)C1=CC=CC(=N1)Cl MNO000062 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.113 NC(=O)C1=NC=CC(=C1)Br CDS022078 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.113 NC(=O)C1=NC=CC(=C1)Cl ADE000335 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.113 NC1=NC=CC(=C1)C(=O)O ADE000133 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.113 O=C(Cl)C1=CC=CC(=C1)I CDS001158 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.113 O=C(O)C1=CC(=NC=C1)O CDS003015 [1,1,0,0,0,0|1,0,0]=3 173 B10R1.113 O=C(O)C1=CC(=NC=N1)O S362735 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.363 CC1(C=CCC=C1)C(=O)N T270628 [1,1,0,0,0,0|1,0,1]=4 175 B10R1.1 CC1=CC=C(C=C1)CNN CBR00829 [1,1,0,0,0,0|1,0,1]=4 176 B10R1.1 NNCC1=CC=C(C=C1)F CBR00828 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.4 CC1=C(C=CC=C1)CNN CBR02348 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.4 NNCC1=CC=CC=C1Cl S441996 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.10 CC1=CC(=CC=C1)CNN CBR00827 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.10 CC1=NC=CC(=C1)CNN PH019247 [1,1,0,0,0,0|0,0,1]=3 181 B10R1.10 NNCC1=CC(=CC=C1)F PHB00030 [1,1,0,0,0,0|1,0,1]=4 182 B10R1.10 NNCC1=CC=CC(=C1)Cl CBR00830 [1,1,0,0,0,0|1,0,1]=4 183 B10R1.17 C(=C\C1=CC=CC=C1)\CN S302880 [1,1,0,0,0,0|2,0,0]=4 184 B10R1.17 CNCCC1=CC=NC=C1 CDS007517 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.17 NNCCC1=CC=CC=C1 CDS015167 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.18 CN(N)CC1=CC=CC=C1 PH000424 [1,1,0,0,0,0|1,0,1]=4 187 B10R1.23 CN(C)C(=O)C1=CC=CO1 PH008437 [0,1,0,0,1,0|2,0,0]=4 188 B10R1.149 CC1=C(C=CO1)C(=O)NN CDS005915 [0,1,0,0,1,0|1,0,0]=3 189 B10R1.149 CN1C=CC=C1C(=O)NN CDS015065 [0,1,0,0,1,0|1,0,0]=3 190 B12R1.32 CCNC(=O)CC1=CC=CC=C1 PH007355 [0,1,0,0,0,1|2,0,0]=4 191 B12R1.32 CCNC(=O)NC1=CC=CC=C1 S591637 [0,1,0,0,0,1|2,0,0]=4 192 B12R1.32 NCCC(=O)NC1=CC=CC=C1 CBR00894 [0,1,0,0,0,1|2,0,0]=4 193 B12R1.32 O=CNC(=O)CC1=CC=CC=C1 S909793 [0,1,0,0,0,1|2,0,0]=4 194 B12R1.32 O=CNC(=O)NC1=CC=CC=C1 S856495 [0,1,0,0,0,1|2,0,0]=4 195 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [0,1,0,0,0,1|2,0,0]=4 196 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [0,1,0,0,0,1|1,0,0]=3 197 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 S889105 [0,1,0,0,0,1|2,0,0]=4 198 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S579718 [0,1,0,0,0,1|2,0,0]=4 199 B12R1.43 CN(C)C(=O)OC1=CC=CC=C1 S364436 [0,1,0,0,0,1|2,0,0]=4 200 B12R1.43 CN(N)C(=S)NC1=CC=CC=C1 PH009743 [0,1,0,0,0,1|1,1,0]=4 201 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Br S665088 [0,1,0,0,0,1|2,0,0]=4 202 B12R1.49 CNC(=O)NC1=CC=C(C=C1)C S644315 [0,1,0,0,0,1|2,0,0]=4 203 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S279838 [0,1,0,0,0,1|2,0,0]=4 204 B12R1.49 CNC(=O)NC1=CC=C(C=C1)Cl S591734 [0,1,0,0,0,1|2,0,0]=4 205 B12R1.49 CNC(=O)OC1=CC=C(C=C1)Br S763187 [0,1,0,0,0,1|2,0,0]=4 206 B12R1.49 CNC(=O)OC1=CC=C(C=C1)F S772801 [0,1,0,0,0,1|2,0,0]=4 207 B12R1.49 CNC(=O)SC1=CC=C(C=C1)Cl S903612 [0,1,0,0,0,1|2,0,0]=4 208 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Br S649791 [0,1,0,0,0,1|2,0,0]=4 209 B12R1.49 O=C(NO)NC1=CC=C(C=C1)Cl S595675 [0,1,0,0,0,1|2,0,0]=4 210 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C S652741 [0,1,0,0,0,1|2,0,0]=4 211 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Br S711292 [0,1,0,0,0,1|2,0,0]=4 212 B12R1.50 CNC(=O)NC1=CC=CC(=C1)Cl S611093 [0,1,0,0,0,1|2,0,0]=4 213 B12R1.50 CNC(=O)OC1=CC=CC(=C1)Cl PH009057 [0,1,0,0,0,1|2,0,0]=4 214 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl R631787 [0,1,0,0,0,1|2,0,0]=4 215 B12R1.50 O=C(NO)NC1=CC(=CC=C1)Cl S652261 [0,1,0,0,0,1|2,0,0]=4 216 B12R1.371 CC1=CC=CC=C1NC(=O)CN CBR02475 [0,1,0,0,0,1|2,0,0]=4 217 B12R1.371 CNC(=O)NC1=C(C=CC=C1)C S606529 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.371 CNC(=O)NC1=CC=CC=C1Cl S595381 [0,1,0,0,0,1|2,0,0]=4 219 B12R1.371 NNC(=O)CC1=C(C=CC=C1)F CBR02131 [0,1,0,0,0,1|1,0,0]=3 220 B12R1.371 NNC(=O)CC1=CC=CC=C1O S668850 [0,1,0,0,0,1|1,0,0]=3 221 B12R1.371 O=C(NO)NC1=CC=CC=C1Cl S647209 [0,1,0,0,0,1|2,0,0]=4 222 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)Br S953105 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)Cl S841382 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.9 NNS(=O)(=O)C1=CC=C(C=C1)I S944998 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 T322911 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CDS014760 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.107 N=C(N)SC(=O)C1=CC=CC=C1 S187364 [0,2,0,0,0,0|2,0,0]=4 242 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.308 CC1=C(C=CC=C1)C(=O)NC#N R573671 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.5 CNC(=O)C1=CC=C(C=C1)C#N EME00409 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.5 CNC(=O)C1=CC=C(C=C1)CN CBR01678 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.5 CNC(=O)C1=CC=C(C=C1)OC R580058 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.5 CNC(=O)C1=CC=C(C=C1)SC S762156 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.5 COC1=CC=C(C=C1)C(=S)NN T121355 [0,2,0,0,0,0|1,1,0]=4 252 B12R1.5 N#CC1=CC=C(C=C1)C(=O)CN PH017796 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.5 N#CC1=CC=C(C=C1)C(=O)N[O-] S302767 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.20 CC1=CC=C(C=C1)C(=O)N(C)C S886033 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Br CDS003955 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)Cl L168815 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)I L168521 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.20 CN(C)C(=O)C1=CC=C(C=C1)O CDS011629 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.367 CNC(=O)C1=CC(=C(C=C1)C)N CBR00280 [0,2,0,0,0,0|2,0,0]=4 260 B12R1.367 CNC(=O)C1=CC=C(C(=C1)Cl)Cl PH007550 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.367 CNC(=O)C1=CC=C(C(=C1)N)Cl PH009943 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.367 NNC(=O)C1=CC=C(C(=C1)Cl)Cl PH005173 [0,2,0,0,0,0|1,0,0]=3 263 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [0,2,0,0,0,0|2,0,0]=4 264 B12R1.1703 CC1=CC=C(C(=C1)O)C(=O)NO PH010314 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.1703 CNC(=O)C1=C(C=C(C=C1)Cl)Cl S15629 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.1703 NNC(=O)C1=CC=C(C=C1Cl)Cl S550434 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)Br JRD0833 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.1703 NNC(=O)C1=CC=C(C=C1O)F JRD0835 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.1703 O=C(NO)C1=C(C=C(C=C1)Cl)Cl PH010543 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.225 CN(C)C(=O)C1=CC(=CC=C1)Br EME00401 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)Cl PH008997 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.225 CN(C)C(=O)C1=CC=CC(=C1)N OTV000592 [0,2,0,0,0,0|2,0,0]=4 273 B12R1.354 CNC(=O)C1=CC(=CC=C1N)Cl PH011224 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.354 COC(=O)C1=CC(=NC=C1N)Br PHB00209 [0,2,0,0,0,0|2,0,0]=4 275 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Br PH010958 [0,2,0,0,0,0|1,0,0]=3 276 B12R1.354 NNC(=O)C1=CC(=CC=C1O)Cl R299804 [0,2,0,0,0,0|1,0,0]=3 277 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [0,2,0,0,0,0|1,0,0]=3 278 B12R1.435 CNC(=O)C1=CC(=CC=C1)C#N EME00411 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.435 COC1=CC(=NC=C1)C(=O)NN ADE000342 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.435 COC1=CC=CC(=N1)C(=O)NN ADE000352 [0,2,0,0,0,0|2,0,0]=4 281 B12R1.124 CN(C)C(=O)C1=CC=CC=C1Br CDS020037 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CBR00188 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.77 CNC(=O)C1=CC=CC=C1CO S872261 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.77 CNC(=O)C1=CC=CC=C1NC PH013025 [0,2,0,0,0,0|2,0,0]=4 285 B12R1.77 COC1=CC=CC=C1C(=O)NN S550388 [0,2,0,0,0,0|1,0,0]=3 286 B12R1.77 NNC(=O)C1=C(C=CC=C1)CO S62120 [0,2,0,0,0,0|1,0,0]=3 287 B10R1.27 NNC(=O)CC1=CSC=C1 CDS014395 [0,0,1,1,0,0|1,0,1]=4 288 B10R2.320 O=C1CC2=C1C=CC=C2 T205540 [1,0,0,1,0,0|2,0,0]=4 289 B10R2.7 C1=CC2=C(C=N1)NC=C2 CDS007514 [1,0,0,1,0,0|1,0,0]=3 290 B10R2.7 C1=CC2=C(C=N1)NN=C2 BLN00001 [1,0,0,1,0,0|0,0,1]=3 291 B10R2.7 C1=CC2=CC=NC=C2O1 SYX00443 [1,0,0,1,0,0|2,0,0]=4 292 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [0,0,0,1,0,1|2,0,0]=4 293 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [0,0,0,1,0,1|2,0,0]=4 294 B12R2.18 NN1C(=O)CC2=CC=CC=C12 PH002340 [0,0,0,1,0,1|1,0,0]=3 295 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [0,0,0,1,0,1|2,0,0]=4 296 B12R2.24 O=C1CNC2=CC=CC=C2N1 T324280 [0,0,0,1,0,1|2,0,0]=4 297 B12R2.1081 O=C1CCNC2=CC=CC=C12 CDS014814 [0,1,0,1,0,0|2,0,0]=4 298 B12R2.1081 O=C1NOCC2=C1C=CC=C2 PH009154 [0,1,0,1,0,0|2,0,0]=4 299 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [0,1,0,1,0,0|2,0,0]=4 300 B12R2.2075 O=C(C1=CC=NC=C1)C2CC2 PH013260 [0,1,0,1,0,0|2,0,0]=4 301 B12R2.612 O=C1NCC2=CC(=CC=C12)Br CDS009180 [0,1,0,1,0,0|2,0,0]=4 302 B12R2.132 BrC1=CC2=C(C=N1)NN=C2Br BLN00065 [0,1,0,1,0,0|1,0,1]=4 303 B12R2.132 BrC1=CC2=C(C=N1)NN=C2I BLN00068 [0,1,0,1,0,0|1,0,1]=4 304 B12R2.132 CC1=CC=C2CNC(=O)C2=C1 CBR02176 [0,1,0,1,0,0|2,0,0]=4 305 B12R2.132 ClC1=CC2=C(C=N1)NN=C2Br BLN00031 [0,1,0,1,0,0|1,0,1]=4 306 B12R2.132 ClC1=CC2=C(C=N1)NN=C2I BLN00034 [0,1,0,1,0,0|1,0,1]=4 307 B12R2.132 O=C1NSC2=CC=C(C=C12)Cl CDS020499 [0,1,0,1,0,0|2,0,0]=4 308 B12R2.196 BrC1=NNC2=C1C=CN=C2Br T143812 [0,1,0,1,0,0|1,0,1]=4 309 B12R2.196 ClC1=C2NN=C(C2=CC=N1)I BLN00033 [0,1,0,1,0,0|1,0,1]=4 310 B12R2.196 ClC1=NC=CC2=C1NN=C2Br T143928 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.7 CC(=O)C1=CNC=C1 CDS015198 [1,0,0,0,1,0|1,0,1]=4 312 B8R1.7 N=C(N)C1=CC=CO1 CBR00909 [1,0,0,0,1,0|2,0,0]=4 313 B8R1.7 NC(=O)C1=CC=CN1 CDS004399 [1,0,0,0,1,0|1,0,0]=3 314 B8R1.7 NC(=O)C1=CN=CS1 CDS020516 [1,0,0,0,1,0|1,0,0]=3 315 B8R1.7 NC(=O)C1=CSC=N1 CDS006757 [1,0,0,0,1,0|2,0,0]=4 316 B8R1.7 NC(=S)C1=CC=CN1 BOG00082 [1,0,0,0,1,0|1,1,0]=4 317 B8R1.7 NC(=S)C1=CC=CO1 BOG00126 [1,0,0,0,1,0|1,1,0]=4 318 B8R1.7 NC(=S)C1=CC=CS1 CDS014286 [1,0,0,0,1,0|1,1,0]=4 319 B8R1.7 NC(=S)C1=CSC=C1 CDS001408 [1,0,0,0,1,0|1,1,0]=4 320 B8R1.7 O=C(O)C1=CC=CO1 S927228 [1,0,0,0,1,0|2,0,0]=4 321 B8R1.7 O=C(O)C1=CC=NN1 CDS005690 [1,0,0,0,1,0|2,0,0]=4 322 B8R1.7 O=C(O)C1=CC=NS1 CDS010046 [1,0,0,0,1,0|2,0,0]=4 323 B8R1.7 O=C(O)C1=CN=CS1 CDS007958 [1,0,0,0,1,0|2,0,0]=4 324 B8R1.7 O=C(O)C1=CON=C1 CDS009962 [1,0,0,0,1,0|2,0,0]=4 325 B8R1.7 O=C(O)C1=CSN=C1 T312894 [1,0,0,0,1,0|2,0,0]=4 326 B8R1.8 NNCC1=CC=CS1 CBR01534 [1,0,0,0,1,0|1,0,1]=4 327 B12R1.27 COC(=O)C=CC1=CC=NC=C1 S409413 [0,0,0,0,0,2|2,0,0]=4 328 B12R1.27 NCC(=O)OCC1=CC=CC=C1 S678368 [0,0,0,0,0,2|2,0,0]=4 329 B12R1.27 NNC(=O)CCC1=CC=CC=C1 PH010195 [0,0,0,0,0,2|1,0,0]=3 330 B12R1.27 NNC(=O)COC1=CC=CC=C1 OTV000051 [0,0,0,0,0,2|1,0,0]=3 331 B12R1.27 NNC(=S)NCC1=CC=CC=C1 S539333 [0,0,0,0,0,2|1,1,0]=4 332 B12R1.27 O=C(/C=C/C1=CC=NC=C1)NO S742236 [0,0,0,0,0,2|1,0,0]=3