0 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [0,0,0,0,0,0|2,1,0]=3 8 B10R1.3 CNC1=CN=C(OC)N=C1 AT18224 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.3 CNC1=NC=C(C=O)C=N1 I11675 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.3 CNC1=NC=C(OC)C=N1 AT18373 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.3 COC1=CN=C(CCl)N=C1 F30448 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.3 COC1=CN=C(CCl)N=C1 P16747 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.3 COC1=CN=C(CN)N=C1 F30456 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.3 COC1=CN=C(NN)C=C1 W15208 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.3 COC1=NC=C(CCl)C=N1 AT18228 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.3 COC1=NC=C(CCl)C=N1 P14060 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.3 COC1=NC=C(NN)N=C1 BL010282 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.3 COC1=NN=C(CBr)C=C1 94344 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.3 COC1=NN=C(CCl)C=C1 94346 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [0,0,0,0,0,0|1,1,0]=2 24 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 COC1=NNC(=O)C=C1 AT17771 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,0,0,0,0,0|1,1,0]=3 39 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,0,0,0,0,0|1,1,1]=4 41 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 O=CC1=NC=C(Br)C=N1 38375 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [0,1,0,0,0,0|1,1,1]=4 48 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,1,0,0,0,0|1,1,0]=3 49 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.3 CNC1=CC=C(B(O)O)C=C1 N10060 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.3 COC1=CN=C(B(O)O)C=C1 64590 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [0,1,0,0,0,0|2,0,1]=4 58 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 N10328 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [0,1,0,0,0,0|1,1,1]=4 63 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [0,1,0,0,0,0|1,1,1]=4 64 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,1,0,0,0,0|0,1,2]=4 65 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,1,0,0,0,0|0,1,2]=4 66 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16855 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.3 O=CC1=CC=C(C(F)F)C=C1 C91393 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.3 O=CC1=CN=C(B(O)O)C=C1 AT15861 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.3 O=CC1=NC=C(B(O)O)C=C1 94215 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,1,0,0,0,0|0,0,0]=1 76 B11R1.83 C=CC1=CC=C(CCCl)C=C1 AC7198 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.83 C=CC1=CC=C(CCO)C=C1 AC6179 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.83 CCCC1=CC=C(CBr)C=C1 C13395 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.83 CCOC1=CC=C(CCl)C=C1 60965 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.83 CCOC1=CN=C(CO)C=C1 CL0296 [0,1,0,0,0,0|1,0,2]=4 81 B11R1.83 CCSC1=CC=C(CN)C=C1 AT20991 [0,1,0,0,0,0|1,1,1]=4 82 B11R1.83 COC1=CN=C(CCN)C=C1 C15008 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.83 COC1=NC=C(CCN)C=C1 W10137 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.83 N#CC1=CC=C(\C=N\O)C=C1 W10686 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.83 NCCC1=CC=C(CO)C=C1 20162 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 AB1475 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.279 C#CC1=C(Br)C=C(OC)C=C1 AT26829 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.279 CC1=C(C#N)C=CC(C=O)=N1 91338 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.279 CCC1=C(O)C=C(OC)C=C1 75531 [0,1,0,0,0,0|1,0,1]=3 90 B11R1.279 CCC1=CC(Br)=C(OC)C=C1 AT26698 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.279 CNC1=C(F)C=C(C#N)C=C1 I11059 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.279 COC1=C(Br)C=C(CN)C=C1 AC5724 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.279 COC1=C(C)C=C(CCl)C=C1 F14712 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.279 COC1=C(Cl)C=C(CN)C=N1 F50183 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.279 COC1=C(F)C=C(CO)C=N1 97679 [0,1,0,0,0,0|1,0,2]=4 96 B11R1.279 COC1=C(N)C=C(C=O)C=C1 26715 [0,1,0,0,0,0|0,0,0]=1 97 B11R1.279 COC1=CC(C)=C(NN)C=C1 D87953 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.279 COC1=CC(F)=C(CO)C=N1 97685 [0,1,0,0,0,0|1,0,2]=4 99 B11R1.279 COC1=CC(O)=C(CO)C=C1 AC7760 [0,1,0,0,0,0|0,0,2]=3 100 B11R1.279 COC1=CC=C(C#N)C(Cl)=N1 AT10589 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.279 COC1=CC=C(CO)C(Cl)=N1 C71897 [0,1,0,0,0,0|1,0,2]=4 102 B11R1.279 COC1=CC=C(CO)N=C1Br F53393 [0,1,0,0,0,0|1,0,2]=4 103 B11R1.279 COC1=CC=C(CO)N=C1I F53668 [0,1,0,0,0,0|1,0,2]=4 104 B11R1.279 COC1=NC(C)=C(CO)C=C1 O10141 [0,1,0,0,0,0|1,0,2]=4 105 B11R1.279 COC1=NC(N)=C(C=O)C=C1 66190 [0,1,0,0,0,0|1,0,0]=2 106 B11R1.279 COC1=NC=C(C#N)C=C1C 92229 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.279 CSC1=C(C)C=C(CN)C=C1 AT20988 [0,1,0,0,0,0|1,1,1]=4 108 B11R1.279 CSC1=C(Cl)C=C(C=O)C=C1 AT16394 [0,1,0,0,0,0|0,1,0]=2 109 B11R1.279 O=CC1=CC(Br)=C(C=O)C=C1 AB10136 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.21 CCC1=NC(C=O)=CS1 AT15240 [0,0,0,0,1,0|3,0,0]=4 111 B9R1.21 CCN1C=CC(C=O)=C1 AT16331 [0,0,0,0,1,0|2,0,0]=3 112 B9R1.21 CCN1C=CC(C=O)=N1 F14621 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [0,0,0,0,1,0|1,0,0]=2 114 B9R1.21 COC1=CC=C(C=O)S1 F53534 [0,0,0,0,1,0|1,0,0]=2 115 B9R1.21 COC1=NC(C=O)=CS1 AT15252 [0,0,0,0,1,0|2,0,0]=3 116 B9R1.21 COC1=NSC(C=O)=C1 AT11785 [0,0,0,0,1,0|2,0,0]=3 117 B9R1.21 CSC1=CC=C(C=O)O1 AT17272 [0,0,0,0,1,0|1,1,0]=3 118 B9R1.21 CSC1=CC=C(C=O)S1 T72147 [0,0,0,0,1,0|1,1,0]=3 119 B9R1.21 CSC1=NC=C(C=O)S1 AT15087 [0,0,0,0,1,0|2,1,0]=4 120 B9R1.21 N#CC1=CC(C=O)=CS1 AT17083 [0,0,0,0,1,0|3,0,0]=4 121 B9R1.21 N#CC1=CNC(C=O)=C1 AT16180 [0,0,0,0,1,0|3,0,0]=4 122 B9R1.21 O=CC1=CC(CCl)=CS1 AT17066 [0,0,0,0,1,0|3,0,0]=4 123 B9R1.21 O=CC1=CC=C(CCl)O1 F11818 [0,0,0,0,1,0|3,0,0]=4 124 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|2,0,0]=4 125 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,1]=4 126 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|1,0,0]=3 127 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [2,0,0,0,0,0|2,0,0]=4 128 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,1,0,0,0,0|0,0,1]=3 132 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.1 CCOC1=NC=C(O)C=C1 D75011 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|0,1,0]=3 135 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|1,1,0]=4 136 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [1,1,0,0,0,0|1,1,0]=4 147 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,1,0,0,0,0|0,0,2]=4 151 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 53823 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,1,0,0,0,0|1,0,1]=4 155 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|0,0,2]=4 156 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [1,1,0,0,0,0|0,0,0]=2 158 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|0,0,2]=4 159 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|0,0,2]=4 160 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.25 COC1=C(Br)C=C(O)C=N1 C72194 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [1,1,0,0,0,0|1,0,1]=4 169 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.25 COC1=NC=C(C)C=C1N D74381 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [1,1,0,0,0,0|1,1,0]=4 173 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|0,1,1]=4 174 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [1,1,0,0,0,0|1,0,1]=4 177 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|1,0,1]=4 179 B10R1.25 O=CC1=C(Cl)C=C(F)C=N1 BL010213 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [1,1,0,0,0,0|1,0,0]=3 181 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [1,1,0,0,0,0|2,0,0]=4 182 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 C14264 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [1,1,0,0,0,0|0,0,2]=4 184 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [1,1,0,0,0,0|1,0,1]=4 185 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|1,0,1]=4 186 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,1,0,0,0,0|1,0,1]=4 188 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [1,1,0,0,0,0|2,0,0]=4 189 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [1,1,0,0,0,0|1,0,1]=4 190 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.176 COC1=CC(C)=[N+]([O-])C=C1 F18022 [1,1,0,0,0,0|1,0,1]=4 192 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [1,1,0,0,0,0|1,0,0]=3 194 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [1,1,0,0,0,0|0,1,0]=3 195 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [1,1,0,0,0,0|0,1,0]=3 196 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.176 COC1=NC(Cl)=C(I)C=C1 N10091 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [1,1,0,0,0,0|1,1,0]=4 199 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,1,0,0,0,0|0,1,1]=4 200 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [1,1,0,0,0,0|0,1,1]=4 201 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [1,1,0,0,0,0|1,0,0]=3 202 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [1,1,0,0,0,0|1,0,0]=3 203 B10R1.31 CC(C)C1=CC=C(C=O)O1 F53542 [0,1,0,0,1,0|2,0,0]=4 204 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,1,0,0,1,0|2,0,0]=4 205 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,1,0,0,1,0|1,0,0]=3 206 B10R1.31 COC1=NC(C(=O)O)=CO1 AT18455 [0,1,0,0,1,0|2,0,0]=4 207 B10R1.31 COC1=NOC(C(N)=O)=C1 W11044 [0,1,0,0,1,0|2,0,0]=4 208 B10R1.31 CSC1=CC(C(=O)O)=CO1 AT17277 [0,1,0,0,1,0|1,1,0]=4 209 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,1,0,0,1,0|1,1,0]=4 210 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,1,0,0,1,0|1,0,0]=3 211 B10R1.96 COCC1=CC=C(C=O)S1 AT26622 [0,1,0,0,1,0|1,0,0]=3 212 B10R1.96 COCC1=NC(C=O)=CS1 AT15255 [0,1,0,0,1,0|2,0,0]=4 213 B10R1.96 O=CC1=CC=C(CCO)S1 F19778 [0,1,0,0,1,0|2,0,0]=4 214 B10R1.258 COC1=NSC(C=O)=C1Cl AT21251 [0,1,0,0,1,0|2,0,0]=4 215 B12R1.5 C#C[C@@H](O)C1=CC=C(OC)C=C1 AC5064 [0,2,0,0,0,0|0,0,2]=4 216 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15274 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15275 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.5 C=C[C@H](N)C1=CC=C(CC)C=C1 N15276 [0,2,0,0,0,0|2,0,0]=4 219 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15289 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15290 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.5 C=C[C@H](N)C1=CC=C(OC)C=C1 N15291 [0,2,0,0,0,0|1,0,0]=3 222 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [0,2,0,0,0,0|1,0,0]=3 223 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [0,2,0,0,0,0|1,0,0]=3 224 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,2,0,0,0,0|1,0,1]=4 226 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,2,0,0,0,0|1,0,1]=4 227 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [0,2,0,0,0,0|2,0,0]=4 229 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [0,2,0,0,0,0|2,0,0]=4 230 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,2,0,0,0,0|1,0,1]=4 231 B12R1.5 COC(=O)C1=NN=C(OC)C=C1 94343 [0,2,0,0,0,0|2,0,0]=4 232 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,2,0,0,0,0|0,0,0]=2 233 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,2,0,0,0,0|0,0,0]=2 234 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,2,0,0,0,0|1,0,1]=4 239 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,2,0,0,0,0|1,0,1]=4 240 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,2,0,0,0,0|1,0,1]=4 241 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,2,0,0,0,0|0,0,2]=4 242 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,2,0,0,0,0|1,0,0]=3 243 B12R1.5 COC1=NC=C(C(=O)NN)C=C1 W19083 [0,2,0,0,0,0|1,0,0]=3 244 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [0,2,0,0,0,0|0,1,0]=3 245 B12R1.6 COC1=CC=C([S@@](C)(=N)=O)C=C1 W18264 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.6 COC1=NC=C(S(C)(=O)=O)C=C1 F50802 [0,2,0,0,0,0|2,0,0]=4 247 B12R1.6 O=CC1=CC=C(S(=O)(=O)F)C=C1 AT12034 [0,2,0,0,0,0|1,1,0]=4 248 B12R1.6 [2H]C([2H])([2H])C1=CC=C(OC)C=C1 D98297 [0,2,0,0,0,0|1,0,1]=4 249 B12R1.48 C#CC1=C(F)C=C(C(=O)O)C=C1 C73577 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 35226 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.48 CC(=O)C1=CC(Br)=C(CBr)C=C1 W17125 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.48 CC(=O)C1=CC(Cl)=C(C#N)C=C1 95965 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.48 CC1=C(C=O)C=CC(B(O)O)=C1 N12929 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 F17056 [0,2,0,0,0,0|1,0,0]=3 255 B12R1.48 CCC1=C(I)C=C(C(=O)O)C=C1 I11380 [0,2,0,0,0,0|1,0,0]=3 256 B12R1.48 CN(C)C1=CC(O)=C(N=O)C=C1 T72444 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 O10956 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.48 COC1=C(F)C=C([C@H](C)Br)C=C1 96595 [0,2,0,0,0,0|1,0,1]=4 259 B12R1.48 COC1=C(F)C=C([C@H](C)Cl)C=C1 97968 [0,2,0,0,0,0|1,0,1]=4 260 B12R1.48 COC1=C(F)C=C([C@H](C)O)C=C1 96594 [0,2,0,0,0,0|0,0,2]=4 261 B12R1.48 COC1=C(O)N=C([N+](=O)[O-])C=C1 D74374 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Cl O10719 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.48 COC1=CN=C(C(=O)O)C=C1O 96427 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.48 CSC1=C(Br)C=C([N+](=O)[O-])C=C1 D87916 [0,2,0,0,0,0|1,1,0]=4 265 B12R1.48 CSC1=C(F)C=C([N+](=O)[O-])C=C1 94983 [0,2,0,0,0,0|1,1,0]=4 266 B12R1.48 N#CC1=C(I)C=C(C(=O)O)C=C1 AB6921 [0,2,0,0,0,0|2,0,0]=4 267 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [0,2,0,0,0,0|1,0,1]=4 268 B12R1.113 CCOC1=CC=C([C@@H](N)O)C=C1 E72788 [0,2,0,0,0,0|0,0,2]=4 269 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [0,2,0,0,0,0|1,0,1]=4 270 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F51015 [0,2,0,0,0,0|2,0,0]=4 271 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F52005 [0,2,0,0,0,0|2,0,0]=4 272 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [0,2,0,0,0,0|1,0,0]=3 273 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 O10282 [0,2,0,0,0,0|2,0,0]=4 274 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50524 [0,2,0,0,0,0|1,0,0]=3 275 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53386 [0,2,0,0,0,0|2,0,0]=4 276 B12R1.256 C[S@](=O)C1=CC=C(C(=O)O)C=C1 AT22899 [0,2,0,0,0,0|0,1,0]=3 277 B12R1.452 CC(=O)C1=C(Cl)C=C(C#N)C=C1 52167 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.452 CCC1=CC(C)=C([N+](=O)[O-])C=C1 W19433 [0,2,0,0,0,0|2,0,0]=4 279 B12R1.452 CCC1=CC(O)=C([N+](=O)[O-])C=C1 F13833 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.452 CN(C)C1=C(Cl)C=C(C=O)C=C1 AT16362 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.452 COC1=CC(Br)=C(C(C)C)C=C1 E71918 [0,2,0,0,0,0|1,0,1]=4 282 B12R1.452 COC1=CC(F)=C(C(=O)O)C=N1 N17087 [0,2,0,0,0,0|1,0,0]=3 283 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 P10295 [0,2,0,0,0,0|1,0,1]=4 284 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 F15890 [0,2,0,0,0,0|0,0,0]=2 285 B12R1.452 COC1=NC(C)=C(C(=O)O)C=N1 AT18400 [0,2,0,0,0,0|2,0,0]=4 286 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 Y10543 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.452 N#CC1=CC(F)=C(C(=O)Cl)C=C1 58517 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.452 O=C(O)C1=C(F)C=C(CBr)C=C1 D95479 [0,2,0,0,0,0|2,0,0]=4 289 B12R1.452 O=CC1=CC(Br)=C(C(=O)O)C=C1 R10022 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,2,0,0,0,0|1,0,0]=3 291 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,2,0,0,0,0|1,0,1]=4 292 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,2,0,0,0,0|1,0,1]=4 293 B12R1.4 CSC1=CC=C(OC(F)F)C=C1 W16571 [0,2,0,0,0,0|2,0,0]=4 294 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,2,0,0,0,0|2,0,0]=4 295 B12R1.71 C#CCOC1=CC=C(CO)C=C1 C15641 [0,2,0,0,0,0|0,0,2]=4 296 B12R1.71 C=CCCC1=CC=C(OC)C=C1 AC5393 [0,2,0,0,0,0|1,0,0]=3 297 B12R1.71 C=CCOC1=CC=C(OC)C=C1 W18721 [0,2,0,0,0,0|1,0,0]=3 298 B12R1.71 COC1=CC=C(CCC=O)C=C1 C15265 [0,2,0,0,0,0|0,0,0]=2 299 B12R1.71 COC1=CC=C(CCCI)C=C1 C77768 [0,2,0,0,0,0|1,0,1]=4 300 B12R1.71 COC1=CC=C(NCCN)C=C1 AC5715 [0,2,0,0,0,0|1,0,1]=4 301 B12R1.71 CSC1=CC=C(OCC#N)C=C1 AC9751 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.114 CCOC1=C(F)C=C(C=O)C=N1 O11588 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.114 CCOC1=C(O)C=C(C=O)C=C1 A51060 [0,2,0,0,0,0|0,0,0]=2 304 B12R1.116 CCOC1=CC=C(CCO)C=C1 C78072 [0,2,0,0,0,0|0,0,2]=4 305 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 36525 [0,2,0,0,0,0|0,0,0]=2 306 B12R1.288 CCOC1=CC(F)=C(CBr)C=C1 D80283 [0,2,0,0,0,0|1,0,1]=4 307 B12R1.288 CCOC1=CC(F)=C(CN)C=C1 N14202 [0,2,0,0,0,0|1,0,1]=4 308 B12R1.288 COC1=C(F)C=C(CCN)C=C1 D87759 [0,2,0,0,0,0|1,0,1]=4 309 B12R1.78 CCC1=C(C=O)C=CC(C#N)=C1 F30154 [0,2,0,0,0,0|2,0,0]=4 310 B12R1.78 COC1=C(OC)C=C(CN)C=C1 N14221 [0,2,0,0,0,0|1,0,1]=4 311 B12R1.78 COC1=CC(OC)=C(CS)C=C1 AT13685 [0,2,0,0,0,0|0,1,1]=4 312 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12477 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.78 COC1=CC(OC)=C(NN)C=C1 F12478 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.78 COC1=CN=C(C=O)C(OC)=N1 F11715 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.78 COC1=NC=C(C=O)C=C1C#N 91341 [0,2,0,0,0,0|1,0,0]=3 316 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 AC7983 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.301 COC1=CC(C)=C(CCl)C(C)=C1 CK2023 [0,2,0,0,0,0|1,0,1]=4 318 B12R1.301 COC1=CC(C)=C(CO)C(C)=C1 54711 [0,2,0,0,0,0|0,0,2]=4 319 B12R1.301 CSC1=CC(Cl)=C(C=O)C(Cl)=C1 93332 [0,2,0,0,0,0|0,1,0]=3 320 B12R1.301 N#CC1=CC(Cl)=C(C=O)C(Cl)=C1 CS1770 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.450 COC1=C(Br)C=C(C=O)C(F)=C1 D78772 [0,2,0,0,0,0|0,0,0]=2 322 B12R1.450 COC1=C(Br)C=C(C=O)C(N)=C1 F15880 [0,2,0,0,0,0|0,0,0]=2 323 B12R1.450 COC1=C(Cl)C=C(C#N)C(Cl)=C1 C90934 [0,2,0,0,0,0|1,0,1]=4 324 B12R1.450 COC1=C(Cl)C=C(C=O)C(C)=C1 D96249 [0,2,0,0,0,0|0,0,0]=2 325 B12R1.450 COC1=C(Cl)C=C(C=O)C(Cl)=C1 F17589 [0,2,0,0,0,0|0,0,0]=2 326 B10R1.2 CN1C=CC=C(C=O)C1=O 55279 [0,0,1,1,0,0|2,0,0]=4 327 B10R1.2 COC1=C(N)C(N)=CC=C1 F52601 [0,0,1,1,0,0|2,0,0]=4 328 B10R1.2 COC1=C(O)C(N)=CC=C1 O10655 [0,0,1,1,0,0|2,0,0]=4 329 B10R1.2 COC1=CC=CC(Cl)=C1N CL9246 [0,0,1,1,0,0|2,0,0]=4 330 B10R1.2 COC1=CC=CC(S)=C1N AT19649 [0,0,1,1,0,0|1,1,0]=4 331 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,1,0,1,0,0|1,0,1]=4 332 B12R2.44 CCC1=CC2=C(C=CN2)C=C1 72108 [0,1,0,1,0,0|2,0,0]=4 333 B12R2.44 COC1=CC2=C(C=C1)SN=N2 D77627 [0,1,0,1,0,0|2,0,0]=4 334 B12R2.44 COC1=CC2=C(C=CC2)C=C1 A10637 [0,1,0,1,0,0|1,0,0]=3 335 B12R2.44 COC1=CN=C2N=CNC2=C1 F18481 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.44 CSC1=CC2=C(C=CN2)C=C1 F17545 [0,1,0,1,0,0|1,1,0]=4 337 B12R2.44 O=CC1=CN=C2NCCC2=C1 D78593 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [1,0,0,0,1,0|2,0,0]=4 339 B8R1.1 CC1=NNC(C=O)=C1 79805 [1,0,0,0,1,0|2,0,0]=4 340 B8R1.1 CC1=NSC(C=O)=C1 C16590 [1,0,0,0,1,0|2,0,0]=4 341 B8R1.1 COC1=CC=C(Br)S1 N10622 [1,0,0,0,1,0|2,0,0]=4 342 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [1,0,0,0,1,0|2,0,0]=4 344 B8R1.1 O=CC1=CN=C(O)S1 AT14773 [1,0,0,0,1,0|2,0,0]=4 345 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [1,0,0,0,1,0|2,0,0]=4 346 B10R1.172 C=CC1=CC=CC(OC)=N1 52911 [0,0,0,0,1,1|2,0,0]=4 347 B10R1.172 COC1=CC(CCl)=CN=C1 81942 [0,0,0,0,1,1|1,0,1]=4 348 B10R1.172 COC1=CC=NC(C=O)=N1 AT18294 [0,0,0,0,1,1|1,0,0]=3 349 B10R1.172 COC1=NC=CC(CCl)=C1 P17364 [0,0,0,0,1,1|1,0,1]=4 350 B10R1.172 COC1=NC=CC(SC)=C1 F50801 [0,0,0,0,1,1|2,0,0]=4 351 B10R1.172 O=CC1=CC(C=O)=NC=C1 CS1671 [0,0,0,0,1,1|2,0,0]=4 352 B10R1.172 O=CC1=NC=CC(CO)=C1 60952 [0,0,0,0,1,1|2,0,0]=4