0 B10R1.13 C=C(C)C1=NC=C(Br)C=N1 AT18379 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC1=CC=C(N(C)N)N=N1 20185 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC1=CN=C(B(O)O)C=C1 F10369 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 CC1=CN=C(B([O-])O)C=C1 AT15741 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10705 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56573 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56564 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 56569 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10886 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT10887 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 C90363 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.13 CC1=NC=C([C@H](C)O)C=N1 AT10878 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 CC1=NC=C([N+](=O)[O-])C=N1 P10108 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.13 CN(C)C1=NC=C(N)C=C1 D74940 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 N11221 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D81683 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y10703 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 90531 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N16973 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90529 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,0,0,0,0,0|2,0,2]=4 31 B10R1.13 C[N+]1=CC=C(B(O)O)C=C1 AT14603 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 56664 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 AC8768 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.1 C=CC1=CN=C(C)N=C1 P14948 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 CC1=NC=C(NN)C=C1 P10368 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.1 CCN1C=CC(=S)C=C1 W16146 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 CNC1=CC=C(C)N=N1 AT18436 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.1 O=CC1=NC=C(Br)C=N1 38375 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [1,0,0,0,0,0|2,0,1]=4 64 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [1,0,0,0,0,0|3,0,0]=4 72 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,1,0,0,0,0|0,0,0]=1 73 B11R1.3 CC(C)C1=CC=C(CS)C=C1 AT13687 [0,1,0,0,0,0|1,0,1]=3 74 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,1,0,0,0,0|1,1,0]=3 75 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 N12206 [0,1,0,0,0,0|1,0,1]=3 76 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.3 CNC1=CC=C(B(O)O)C=C1 N10060 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90819 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.3 COC1=CN=C([C@H](C)N)C=C1 90820 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 N10328 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90831 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 N11219 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D76956 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 N10959 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,1,0,0,0,0|0,0,2]=3 90 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,1,0,0,0,0|0,0,2]=3 91 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16855 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.3 C[C@H](N)C1=CC=C(CCl)C=C1 96061 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [0,1,0,0,0,0|0,0,3]=4 94 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.3 O=[N+]([O-])C1=CN=C(CBr)C=C1 D72031 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.3 OCC1=CC=C(C(F)F)C=C1 AT10625 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.19 CC(C)(N)C1=CC=C(Cl)C=C1 98110 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 N10815 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.19 CC1=CC=C(C(C)(C)N)C=C1 F13271 [0,1,0,0,0,0|1,0,1]=3 103 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 95895 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT17933 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C14784 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F52062 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 FD1163 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O10169 [0,1,0,0,0,0|2,0,0]=3 109 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10983 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13714 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13756 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15718 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15764 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15884 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15911 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16530 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16531 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.19 CC1=CN=C(S(=O)(=O)Cl)C=C1 N11756 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.19 CC1=CN=C(S(C)(=O)=O)N=C1 E70475 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.19 CC1=NC=C(S(=O)(=O)Cl)C=C1 AT18356 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.19 CP(C)(=O)C1=CN=C(Cl)C=C1 AT13621 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 F10472 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.19 CS(=O)(=O)C1=CNC(=O)C=C1 F30801 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.19 C[Si](C)(C)C1=CC=C(N)C=C1 D71910 [0,1,0,0,0,0|2,1,0]=4 130 B11R1.19 C[Si](C)(C)C1=CC=C(O)C=C1 D76703 [0,1,0,0,0,0|2,1,0]=4 131 B11R1.19 NC1=CC=C(P(=O)(O)O)C=C1 D88549 [0,1,0,0,0,0|3,0,0]=4 132 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 C16387 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 N11848 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.19 O=S(=O)(O)C1=CC=C(F)C=C1 AC3124 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.21 CC(C)C1=CC(Br)=C(I)C=C1 H11162 [0,1,0,0,0,0|2,0,1]=4 137 B11R1.21 CC1=C(Br)C=C(B(O)O)C=C1 D71574 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [0,1,0,0,0,0|0,0,2]=3 139 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11249 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.21 CC1=C(O)C=C([C@H](C)N)C=C1 N14772 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.21 CC1=C(O)C=CC([C@H](C)N)=C1 N14776 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1O P12272 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.21 CN(C)C1=CC(N)=C(N)C=C1 F53085 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y11087 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y11614 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.21 C[C@H](N)C1=CC(O)=C(F)C=C1 N14349 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.21 C[C@H](N)C1=CC(O)=C(F)C=C1 N14734 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11379 [0,1,0,0,0,0|1,0,2]=4 150 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11380 [0,1,0,0,0,0|1,0,2]=4 151 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [0,1,0,0,0,0|3,0,0]=4 155 B11R1.21 NC1=C(S)C=CC([N+](=O)[O-])=C1 AT19650 [0,1,0,0,0,0|3,0,0]=4 156 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,1,0,0,0,0|3,0,0]=4 160 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.22 C#C[C@@H](O)C1=CC=C(C)C=C1 AC6704 [0,1,0,0,0,0|0,0,3]=4 162 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15265 [0,1,0,0,0,0|1,0,2]=4 163 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15266 [0,1,0,0,0,0|1,0,2]=4 164 B11R1.22 C=C[C@H](N)C1=CC=C(C)C=C1 N15267 [0,1,0,0,0,0|1,0,2]=4 165 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,1,0,0,0,0|0,0,0]=1 166 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.22 CC1=CC=C(C(=S)NN)C=C1 W10974 [0,1,0,0,0,0|1,1,0]=3 168 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13432 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13433 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13434 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13455 [0,1,0,0,0,0|1,0,1]=3 172 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13456 [0,1,0,0,0,0|1,0,1]=3 173 B11R1.22 CC1=CC=C([C@@H](N)CN)C=C1 N13457 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,1,0,0,0,0|0,0,2]=3 175 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [0,1,0,0,0,0|1,0,1]=3 176 B11R1.22 CC1=CN=C(C(=O)CBr)N=C1 F50744 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.22 CC1=CN=C(\C(C)=N\O)C=C1 AB10298 [0,1,0,0,0,0|1,0,1]=3 178 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11154 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11155 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 O10385 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 N12295 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.22 CNC(=O)C1=CN=C(Cl)N=C1 C72448 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11091 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y11092 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,1,0,0,0,0|1,0,2]=4 192 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.22 C[C@@H](CN)C1=CC=C(Cl)C=C1 F20636 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.22 C[C@H](C#N)C1=CC=C(F)C=C1 AT19993 [0,1,0,0,0,0|2,0,1]=4 196 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,1,0,0,0,0|1,0,0]=2 197 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13423 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13424 [0,1,0,0,0,0|2,0,1]=4 201 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13425 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13446 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13447 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.22 NC[C@H](N)C1=CC=C(Br)C=C1 N13448 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N12560 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13414 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13415 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13416 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13438 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.22 NC[C@H](N)C1=CC=C(Cl)C=C1 N13439 [0,1,0,0,0,0|2,0,1]=4 211 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13400 [0,1,0,0,0,0|2,0,1]=4 212 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13401 [0,1,0,0,0,0|2,0,1]=4 213 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13402 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13406 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13407 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.22 NC[C@H](N)C1=CC=C(F)C=C1 N13408 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [0,1,0,0,0,0|1,0,2]=4 218 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [0,1,0,0,0,0|1,0,2]=4 219 B11R1.22 N[C@@H](CF)C1=CC=C(Br)C=C1 N14615 [0,1,0,0,0,0|2,0,1]=4 220 B11R1.22 N[C@@H](CF)C1=CC=C(F)C=C1 N14614 [0,1,0,0,0,0|2,0,1]=4 221 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [0,1,0,0,0,0|2,0,1]=4 222 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [0,1,0,0,0,0|2,0,1]=4 223 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [0,1,0,0,0,0|2,0,1]=4 225 B11R1.22 O=C(CBr)C1=NC=C(Br)C=N1 F53131 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,0,0,0,0|1,0,0]=2 228 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,0,0,0,0|1,0,1]=3 230 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [0,1,0,0,0,0|1,0,2]=4 231 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [0,1,0,0,0,0|1,0,2]=4 232 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,1,0,0,0,0|0,0,0]=1 235 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,1,0,0,0,0|1,0,0]=2 236 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.166 CC(=O)C1=CNC(=O)N=C1C S10254 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.166 CC(=O)C1=NC=C(Cl)N=C1Cl 58574 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.166 CC(C)C1=C(Br)C=C(Cl)C=C1 F21471 [0,1,0,0,0,0|2,0,1]=4 241 B11R1.166 CC(C)C1=C(F)C=C(Br)C=C1 F52298 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 56645 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.166 CC1=CC(Br)=C(C(C)C)C=C1 AT26576 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 N12239 [0,1,0,0,0,0|1,0,1]=3 246 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81539 [0,1,0,0,0,0|1,0,1]=3 247 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81617 [0,1,0,0,0,0|1,0,1]=3 248 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [0,1,0,0,0,0|0,0,2]=3 251 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=N1 P19552 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.166 CC1=CC=C(C(C)C)C(N)=N1 AT11138 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.166 CC1=CN=C([N+](=O)[O-])C(O)=C1 C14891 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.166 C[C@H](Br)C1=C(F)C=C(F)C=C1 C77556 [0,1,0,0,0,0|2,0,1]=4 259 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 N12749 [0,1,0,0,0,0|2,0,1]=4 260 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 N13113 [0,1,0,0,0,0|2,0,1]=4 261 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 F16902 [0,1,0,0,0,0|2,0,1]=4 262 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11374 [0,1,0,0,0,0|1,0,2]=4 263 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11378 [0,1,0,0,0,0|1,0,2]=4 264 B11R1.166 N=C(N)C1=C(Cl)C=C(Br)C=C1 D86997 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 92721 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 C14169 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.166 N=C(N)C1=C(F)C=C(O)C=C1 D87625 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.166 NC(=O)C1=C(N)N=C(F)C=C1 F20285 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.166 NC(=O)C1=NC=C(Br)C=C1Cl AC3839 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,1,0,0,0,0|2,0,0]=3 281 B11R2.34 CC1=CC=C(C2CC2)C=C1 AC9737 [0,0,0,1,0,0|1,0,1]=3 282 B11R2.34 ClC1=CC=C(C2CC2)C=C1 AC9567 [0,0,0,1,0,0|2,0,1]=4 283 B9R1.35 CC(=O)C1=CC(Br)=NO1 AT19699 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,0,0,0,1,0|2,0,0]=3 285 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,0,0,0,1,0|2,0,0]=3 286 B9R1.35 CC(=O)C1=CN(C)C=N1 AT21668 [0,0,0,0,1,0|2,0,0]=3 287 B9R1.35 CC(=O)C1=NC(C)=CN1 I10088 [0,0,0,0,1,0|2,0,0]=3 288 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,0,0,0,1,0|2,0,0]=3 289 B9R1.35 CC1=CC(C(N)=O)=NN1 N12273 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.35 CC1=CC=C([C@H](C)N)O1 N12562 [0,0,0,0,1,0|2,0,1]=4 291 B9R1.35 CC1=CC=C([C@H](C)N)O1 Y12182 [0,0,0,0,1,0|2,0,1]=4 292 B9R1.35 CC1=NOC(C(N)=O)=C1 C11163 [0,0,0,0,1,0|3,0,0]=4 293 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,0,0,0,1,0|3,0,0]=4 294 B9R1.35 CN1C=C(C(=O)Cl)C=N1 AT16091 [0,0,0,0,1,0|3,0,0]=4 295 B9R1.35 CN1C=CC(C(=O)Cl)=N1 79491 [0,0,0,0,1,0|3,0,0]=4 296 B9R1.35 CN1C=CC([N+](=O)[O-])=C1 97918 [0,0,0,0,1,0|3,0,0]=4 297 B9R1.35 CN1C=NC(C(N)=O)=C1 24458 [0,0,0,0,1,0|3,0,0]=4 298 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,0,0,0,1,0|3,0,0]=4 302 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,0,0,0,1,0|3,0,0]=4 303 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,0,0,0,1,0|3,0,0]=4 304 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,0,0,0,0,1|2,0,0]=3 305 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,0,0,0,0,1|2,0,1]=4 306 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N14354 [0,0,0,0,0,1|1,0,1]=3 307 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.20 CC1=CN=C(CC(=O)[O-])C=N1 C91526 [0,0,0,0,0,1|3,0,0]=4 309 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y11268 [0,0,0,0,0,1|2,0,1]=4 310 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N10873 [0,0,0,0,0,1|2,0,1]=4 311 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,0,0,0,0,1|2,0,1]=4 312 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 T72468 [0,0,0,0,0,1|2,1,0]=4 313 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,0,0,0,0,1|3,0,0]=4 314 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,0,0,0,0,1|3,0,0]=4 315 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,0,0,0,0,1|2,0,0]=3 316 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|1,0,1]=4 317 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,1]=4 318 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.3 CC1=CN=C(C)N=C1 C15366 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [2,0,0,0,0,0|2,0,0]=4 322 B10R1.1 CC1=CC=C(C#CBr)C=C1 94424 [1,1,0,0,0,0|0,0,2]=4 323 B10R1.1 CC1=CC=C(CNN)C=C1 O10110 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,1,0,0,0,0|0,0,1]=3 325 B10R1.1 CC1=NC=C(\C=C\Br)C=C1 F50214 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.1 CSCC1=CC=C(Cl)C=C1 W18700 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.1 NC1=CC=C(OCF)C=C1 68782 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.1 NCCC1=CC=C(I)C=C1 C78427 [1,1,0,0,0,0|1,0,1]=4 330 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.3 C#CC1=CC=C(CN)C=C1 A50671 [1,1,0,0,0,0|0,0,2]=4 333 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [1,1,0,0,0,0|0,0,2]=4 334 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,1,0,0,0,0|1,0,1]=4 335 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.3 CCC1=CN=C(CCl)C=C1 94422 [1,1,0,0,0,0|1,0,1]=4 337 B10R1.3 CCC1=CN=C(CO)C=C1 94421 [1,1,0,0,0,0|1,0,1]=4 338 B10R1.3 CNC1=CC=C(CN)C=C1 A10200 [1,1,0,0,0,0|1,0,0]=3 339 B10R1.3 CNC1=CC=C(SC)C=C1 AT20959 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.3 CNC1=NC=C(C=O)C=N1 I11675 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.3 COC1=CN=C(CBr)C=C1 O10507 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.3 COC1=NC=C(CBr)C=C1 26302 [1,1,0,0,0,0|2,0,0]=4 343 B10R1.3 COC1=NC=C(SC)C=C1 F50803 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,1,0,0,0,0|1,0,1]=4 347 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,1,0,0,0,0|1,0,1]=4 348 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 53823 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.25 CC1=CC(F)=C(CN)C=C1 A12837 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|0,0,2]=4 353 B10R1.25 CC1=CC(F)=C(NN)C=C1 A12578 [1,1,0,0,0,0|2,0,0]=4 354 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|0,0,2]=4 356 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|0,0,2]=4 357 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.25 CC1=NC(C)=C(C=O)C=N1 D97637 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.25 CCC1=C(N)C=C(F)C=C1 F20990 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.25 CNC1=C(F)C=C(Br)C=C1 AT23114 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.25 CNC1=C(F)C=C(Cl)C=C1 C11094 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.25 COC1=C(I)C=C(C)N=C1 96426 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.25 COC1=C(I)C=C(I)C=C1 AT18541 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.25 COC1=NC=C(C)C=C1N D74381 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|2,0,0]=4 368 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.25 O=CC1=C(Cl)C=C(F)C=N1 BL010213 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [1,1,0,0,0,0|1,0,0]=3 372 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 C14264 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [1,1,0,0,0,0|0,0,2]=4 375 B10R1.176 CCC1=CC(N)=C(C)C=C1 F21363 [1,1,0,0,0,0|0,0,1]=3 376 B10R1.176 CCC1=CC(O)=C(F)C=C1 F30470 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.176 CNC1=CC(Cl)=C(Br)C=C1 AC3296 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.176 CNC1=CC(Cl)=C(C)C=C1 C77674 [1,1,0,0,0,0|1,0,0]=3 380 B10R1.176 CNC1=CC(F)=C(Br)C=C1 S10823 [1,1,0,0,0,0|2,0,0]=4 381 B10R1.176 COC1=CC(I)=C(C)C=N1 AT12881 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.176 COC1=CC(N)=C(I)C=C1 O10806 [1,1,0,0,0,0|2,0,0]=4 383 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19646 [1,1,0,0,0,0|2,0,0]=4 384 B10R1.176 COC1=CC(N)=C(S)C=C1 AT19647 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.176 COC1=CC(S)=C(N)C=C1 C90511 [1,1,0,0,0,0|2,0,0]=4 386 B10R1.176 CSC1=CC(C)=C(Br)C=C1 AT14181 [1,1,0,0,0,0|2,0,0]=4 387 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.176 CSC1=CC(N)=C(C)C=C1 AT20856 [1,1,0,0,0,0|1,0,0]=3 389 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [1,1,0,0,0,0|2,0,0]=4 394 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|0,0,1]=3 400 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|0,0,1]=3 401 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|0,0,2]=4 402 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|0,0,2]=4 403 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|0,0,2]=4 404 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|0,0,2]=4 405 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.15 O=C(CBr)C1=NC=CC=N1 F19759 [1,1,0,0,0,0|2,0,0]=4 409 B10R1.15 O=C(CBr)C1=NC=NC=C1 FD10496 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [1,1,0,0,0,0|0,0,2]=4 416 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [1,1,0,0,0,0|0,0,0]=2 422 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [1,1,0,0,0,0|2,0,0]=4 433 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [1,1,0,0,0,0|1,0,0]=3 435 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [1,1,0,0,0,0|1,0,1]=4 442 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [1,1,0,0,0,0|0,0,2]=4 448 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [1,1,0,0,0,0|1,1,0]=4 451 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,1,0,0,1,0|1,0,0]=3 456 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,1,0,0,1,0|1,0,0]=3 457 B10R1.14 CCC(=O)C1=CC=C(Br)O1 N14292 [0,1,0,0,1,0|2,0,0]=4 458 B10R1.14 CNC(=O)C1=CC=C(N)S1 92880 [0,1,0,0,1,0|2,0,0]=4 459 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,1,0,0,1,0|2,0,0]=4 460 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,1,0,0,1,0|1,0,0]=3 461 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,1,0,0,1,0|2,0,0]=4 462 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,1,0,0,1,0|2,0,0]=4 463 B10R1.31 C=CC1=CSC(C(C)=O)=C1 A51005 [0,1,0,0,1,0|1,0,1]=4 464 B10R1.31 CC(=O)C1=CC=C(C#N)O1 AT17433 [0,1,0,0,1,0|1,0,1]=4 465 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,1,0,0,1,0|2,0,0]=4 466 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,1,0,0,1,0|2,0,0]=4 467 B10R1.31 CSC1=CC(C(=O)O)=CO1 AT17277 [0,1,0,0,1,0|2,0,0]=4 468 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,1,0,0,1,0|2,0,0]=4 469 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [0,1,0,0,1,0|2,0,0]=4 470 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [0,1,0,0,1,0|2,0,0]=4 471 B10R1.31 O=C(O)C1=COC(CO)=C1 AT17501 [0,1,0,0,1,0|2,0,0]=4 472 B10R1.58 CC(=O)C1=CC(Br)=C(Br)O1 AT15595 [0,1,0,0,1,0|2,0,0]=4 473 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 W10228 [0,1,0,0,1,0|2,0,0]=4 474 B10R1.58 CN1C=C(C(=O)O)C=C1Br C91432 [0,1,0,0,1,0|2,0,0]=4 475 B10R1.59 CC(=O)C1=CC(N)=CN1C 97921 [0,1,0,0,1,0|2,0,0]=4 476 B10R1.59 CC(=O)C1=NN(C)C=C1C AT13574 [0,1,0,0,1,0|2,0,0]=4 477 B10R1.59 CC(=O)C1=NN(C)C=C1N W12223 [0,1,0,0,1,0|2,0,0]=4 478 B10R1.59 CC1=CC(C(=O)O)=C(Br)S1 92997 [0,1,0,0,1,0|2,0,0]=4 479 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,1,0,0,1,0|2,0,0]=4 480 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,1,0,0,1,0|2,0,0]=4 481 B10R1.59 CC1=CN(C)C=C1C(=O)O AT10393 [0,1,0,0,1,0|2,0,0]=4 482 B10R1.194 CC(=O)C1=C(C)N(C)N=C1 71437 [0,1,0,0,1,0|2,0,0]=4 483 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,1,0,0,1,0|2,0,0]=4 484 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [0,1,0,0,1,0|2,0,0]=4 485 B12R1.4 CC(C)SC1=CC=C(CCl)C=C1 AT20997 [0,1,0,0,0,1|1,0,1]=4 486 B12R1.4 CC(C)SC1=CC=C(CO)C=C1 AT20984 [0,1,0,0,0,1|1,0,1]=4 487 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13082 [0,1,0,0,0,1|1,0,1]=4 489 B12R1.4 COC1=CC=C(NC(C)C)C=C1 C77952 [0,1,0,0,0,1|1,0,1]=4 490 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,1,0,0,0,1|2,0,0]=4 491 B12R1.19 CC(=O)NC1=CC(F)=C(C)C=C1 E72199 [0,1,0,0,0,1|0,0,0]=2 492 B12R1.19 CC(=O)NC1=CC(I)=C(C)C=C1 AC7468 [0,1,0,0,0,1|0,0,0]=2 493 B12R1.19 CC(=O)NC1=NC(C)=C(F)C=C1 36635 [0,1,0,0,0,1|2,0,0]=4 494 B12R1.19 CC(=O)NC1=NC(F)=C(I)C=C1 C16589 [0,1,0,0,0,1|2,0,0]=4 495 B12R1.19 CC(=O)OC1=CC(Br)=C(F)C=C1 C11086 [0,1,0,0,0,1|1,0,0]=3 496 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.19 CC1=C(F)C=CC(OC(=O)Cl)=C1 FD10709 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 H11214 [0,1,0,0,0,1|1,0,0]=3 499 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,1,0,0,0,1|0,0,0]=2 500 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,1,0,0,0,1|1,0,0]=3 501 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,1,0,0,0,1|0,0,0]=2 502 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,1,0,0,0,1|1,0,0]=3 503 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,1,0,0,0,1|1,0,0]=3 504 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,1,0,0,0,1|1,0,0]=3 505 B12R1.20 CC1=CC=C(C(N)C(C)O)C=C1 N15701 [0,1,0,0,0,1|0,0,2]=4 506 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [0,1,0,0,0,1|1,0,0]=3 507 B12R1.20 CC1=CC=C([C@@H](N)C(C)O)C=C1 N15702 [0,1,0,0,0,1|0,0,2]=4 508 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15703 [0,1,0,0,0,1|0,0,2]=4 509 B12R1.20 CC1=CC=C([C@@H](N)[C@@H](C)O)C=C1 N15705 [0,1,0,0,0,1|0,0,2]=4 510 B12R1.20 CC1=CC=C([C@@H](N)[C@H](C)O)C=C1 N15704 [0,1,0,0,0,1|0,0,2]=4 511 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,1,0,0,0,1|2,0,0]=4 513 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,1,0,0,0,1|2,0,0]=4 514 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [0,1,0,0,0,1|2,0,0]=4 515 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,1,0,0,0,1|2,0,0]=4 516 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [0,1,0,0,0,1|2,0,0]=4 517 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,1,0,0,0,1|2,0,0]=4 518 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,1,0,0,0,1|2,0,0]=4 519 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,1,0,0,0,1|0,0,1]=3 520 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78159 [0,1,0,0,0,1|1,0,1]=4 521 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 C78527 [0,1,0,0,0,1|1,0,1]=4 522 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,1,0,0,0,1|1,0,0]=3 523 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,1,0,0,0,1|1,0,0]=3 524 B12R1.49 CC[C@H](N)CC1=CC=C(C)C=C1 N12825 [0,1,0,0,0,1|1,0,1]=4 525 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,1,0,0,0,1|2,0,0]=4 526 B12R1.49 COC(=O)CC1=NC=C(C)N=C1 C91525 [0,1,0,0,0,1|2,0,0]=4 527 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,1,0,0,0,1|2,0,0]=4 528 B12R1.49 C[C@H](C=O)CC1=CC=C(Cl)C=C1 C76805 [0,1,0,0,0,1|1,0,1]=4 529 B12R1.49 C\C(=C/C1=CC=C(F)C=C1)CO F53074 [0,1,0,0,0,1|1,0,1]=4 530 B12R1.49 N#CC(=O)CC1=CC=C(Cl)C=C1 83342 [0,1,0,0,0,1|1,0,1]=4 531 B12R1.49 NCC(=O)CC1=CC=C(F)C=C1 D87535 [0,1,0,0,0,1|1,0,0]=3 532 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F21123 [0,1,0,0,0,1|1,0,0]=3 533 B12R1.49 NNC(=O)NC1=CC=C(Br)C=C1 W12874 [0,1,0,0,0,1|2,0,0]=4 534 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 C78062 [0,1,0,0,0,1|1,0,0]=3 535 B12R1.106 CC1=CC=C(C[S@@](C)(=N)=O)C=C1 E72404 [0,1,0,0,0,1|1,0,0]=3 536 B12R1.106 CS(=O)(=O)CC1=CC=C(N)C=C1 AC8675 [0,1,0,0,0,1|2,0,0]=4 537 B12R1.106 CS(=O)(=O)NC1=CC=C(Cl)C=C1 D87371 [0,1,0,0,0,1|2,0,0]=4 538 B12R1.106 CS(=O)(=O)OC1=CC=C(F)C=C1 76122 [0,1,0,0,0,1|2,0,0]=4 539 B12R1.106 CS(=O)(=O)OC1=CC=C(S)C=C1 F16829 [0,1,0,0,0,1|2,0,0]=4 540 B12R1.106 CS(C)(=O)=NC1=CC=C(O)C=C1 AT18480 [0,1,0,0,0,1|2,0,0]=4 541 B12R1.106 C[S@](=N)(=O)CC1=CC=C(Br)C=C1 E72408 [0,1,0,0,0,1|2,0,0]=4 542 B12R1.233 C=C(C)OC1=C(C)C=C(Cl)C=C1 H11070 [0,1,0,0,0,1|2,0,0]=4 543 B12R1.233 CC(=O)CC1=C(Cl)C=C(F)C=C1 F30166 [0,1,0,0,0,1|1,0,0]=3 544 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,1,0,0,0,1|1,0,0]=3 545 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 C13349 [0,1,0,0,0,1|1,0,0]=3 546 B12R1.233 CC(=O)NC1=C(C)C=C(C)N=C1 F17997 [0,1,0,0,0,1|1,0,0]=3 547 B12R1.233 CC(=O)NC1=C(I)C=C(F)C=C1 AT19905 [0,1,0,0,0,1|1,0,0]=3 548 B12R1.233 CC(=O)NC1=CC=C(Cl)N=C1I F51674 [0,1,0,0,0,1|2,0,0]=4 549 B12R1.233 CC(=O)NC1=CN=C(Br)C=C1C F18384 [0,1,0,0,0,1|2,0,0]=4 550 B12R1.233 CC(=O)NC1=CN=C(Cl)C=C1C D87663 [0,1,0,0,0,1|2,0,0]=4 551 B12R1.233 CC(=O)OC1=C(F)C=C(Br)C=C1 AT14688 [0,1,0,0,0,1|1,0,0]=3 552 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [0,2,0,0,0,0|0,0,1]=3 553 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [0,2,0,0,0,0|0,0,0]=2 554 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13461 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13462 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.5 CCC1=CC=C([C@@H](N)CN)C=C1 N13463 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 97264 [0,2,0,0,0,0|1,0,1]=4 559 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10941 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N12242 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.5 CC[C@H](N)C1=CC=C(SC)C=C1 N11382 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12207 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 57141 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 P16732 [0,2,0,0,0,0|1,0,0]=3 567 B12R1.5 COC(=O)C1=NC=C(CN)C=N1 57157 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.5 COC(=O)C1=NC=C(CO)N=C1 89312 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.5 COC(=O)C1=NN=C(CN)C=C1 57149 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.5 COC(=O)C1=NN=C(OC)C=C1 94343 [0,2,0,0,0,0|2,0,0]=4 571 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,2,0,0,0,0|0,0,1]=3 572 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,2,0,0,0,0|0,0,0]=2 573 B12R1.5 COC1=CC=C([C@@H](N)CF)C=C1 N14616 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13480 [0,2,0,0,0,0|1,0,1]=4 575 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13481 [0,2,0,0,0,0|1,0,1]=4 576 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13482 [0,2,0,0,0,0|1,0,1]=4 577 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13488 [0,2,0,0,0,0|1,0,1]=4 578 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13489 [0,2,0,0,0,0|1,0,1]=4 579 B12R1.5 COC1=CC=C([C@@H](N)CN)C=C1 N13490 [0,2,0,0,0,0|1,0,1]=4 580 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,2,0,0,0,0|0,0,2]=4 581 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.5 COC1=NC=C(C(=O)NN)C=C1 W19083 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [0,2,0,0,0,0|0,0,0]=2 584 B12R1.5 CSC1=CC=C([C@@H](N)CO)C=C1 H10359 [0,2,0,0,0,0|1,0,1]=4 585 B12R1.6 COC1=CC=C([S@@](C)(=N)=O)C=C1 W18264 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.6 COC1=NC=C(S(C)(=O)=O)C=C1 F50802 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.6 CS(=O)(=O)C1=CN=C(CN)C=C1 C16467 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.6 CS(=O)(=O)C1=NC=C(CO)C=C1 C73938 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.6 NCC1=CC=C(S(=O)(=O)O)C=C1 AC7999 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 C14685 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.48 C#CC1=C(F)C=C(C(=O)O)C=C1 C73577 [0,2,0,0,0,0|1,0,1]=4 592 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 35226 [0,2,0,0,0,0|0,0,1]=3 593 B12R1.48 CC(=O)C1=CC(Br)=C(CBr)C=C1 W17125 [0,2,0,0,0,0|0,0,0]=2 594 B12R1.48 CC(=O)C1=CC(Cl)=C(C#N)C=C1 95965 [0,2,0,0,0,0|0,0,1]=3 595 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 F17056 [0,2,0,0,0,0|0,0,0]=2 596 B12R1.48 CCC1=C(I)C=C(C(=O)O)C=C1 I11380 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 O10956 [0,2,0,0,0,0|1,0,0]=3 598 B12R1.48 COC1=C(F)C=C([C@H](C)Br)C=C1 96595 [0,2,0,0,0,0|1,0,1]=4 599 B12R1.48 COC1=C(F)C=C([C@H](C)Cl)C=C1 97968 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.48 COC1=C(F)C=C([C@H](C)O)C=C1 96594 [0,2,0,0,0,0|0,0,2]=4 601 B12R1.48 COC1=CN=C(C(=O)O)C=C1O 96427 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.48 CSC1=C(Br)C=C([N+](=O)[O-])C=C1 D87916 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.48 CSC1=C(F)C=C([N+](=O)[O-])C=C1 94983 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.48 C[C@H](N)C1=CC(F)=C(CO)C=C1 N14392 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.48 N#CC1=C(I)C=C(C(=O)O)C=C1 AB6921 [0,2,0,0,0,0|1,0,1]=4 606 B12R1.48 NCC1=C(Cl)C=C([N+](=O)[O-])C=C1 F53507 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.48 O=[N+]([O-])C1=CC(F)=C(CBr)C=C1 F13177 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 C13364 [0,2,0,0,0,0|1,0,1]=4 610 B12R1.113 CCOC1=CC=C([C@H](C)N)C=C1 C77727 [0,2,0,0,0,0|1,0,1]=4 611 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F51015 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.113 N=C(N)C1=CC=C(CCN)C=C1 F52005 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.113 NNCC1=CC=C([N+](=O)[O-])C=C1 AC5363 [0,2,0,0,0,0|2,0,0]=4 614 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 O10282 [0,2,0,0,0,0|0,0,0]=2 616 B12R1.256 CC(=O)C1=CN=C(C(F)F)N=C1 56591 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.256 CC(=O)C1=NC=C([N+](=O)[O-])C=C1 F52307 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12994 [0,2,0,0,0,0|1,0,1]=4 619 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12996 [0,2,0,0,0,0|1,0,1]=4 620 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50524 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 N14665 [0,2,0,0,0,0|1,0,1]=4 622 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 I10900 [0,2,0,0,0,0|1,0,1]=4 623 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 N12577 [0,2,0,0,0,0|1,0,1]=4 624 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y11471 [0,2,0,0,0,0|1,0,1]=4 625 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 F53386 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.256 C[S@](=O)C1=CC=C(C(=O)O)C=C1 AT22899 [0,2,0,0,0,0|1,0,0]=3 627 B12R1.452 CC(=O)C1=C(Cl)C=C(C#N)C=C1 52167 [0,2,0,0,0,0|0,0,1]=3 628 B12R1.452 CCC1=CC(C)=C([N+](=O)[O-])C=C1 W19433 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.452 CCC1=CC(O)=C([N+](=O)[O-])C=C1 F13833 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.452 COC1=CC(Br)=C(C(C)C)C=C1 E71918 [0,2,0,0,0,0|1,0,1]=4 631 B12R1.452 COC1=CC(F)=C(C(=O)O)C=N1 N17087 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 P10295 [0,2,0,0,0,0|1,0,1]=4 633 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 F15890 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 Y10543 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.452 C[C@H](N)C1=C(F)C=C(CO)C=C1 N14658 [0,2,0,0,0,0|1,0,1]=4 636 B12R1.452 N#CC1=CC(F)=C(C(=O)Cl)C=C1 58517 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.452 NCC1=CC(Br)=C([N+](=O)[O-])C=C1 O10076 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.452 O=C(O)C1=C(F)C=C(CBr)C=C1 D95479 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.452 O=CC1=CC(Br)=C(C(=O)O)C=C1 R10022 [0,2,0,0,0,0|1,0,1]=4 640 B12R1.452 O=[N+]([O-])C1=C(Cl)C=C(CO)C=C1 A50673 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.9 CC[S@](=N)(=O)C1=CC=C(Br)C=C1 W13287 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.23 CC1=C(C)C=C(S(C)(=O)=O)C=C1 AT24021 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.23 CC1=C(F)C=C(C(C)(C)O)C=C1 AT22341 [0,2,0,0,0,0|0,0,2]=4 644 B12R1.23 CC1=C(N)C=C(C(C)(C)C)C=C1 88007 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.23 CP(C)(=O)C1=CC(N)=C(N)C=C1 AT21935 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.126 CC1=CC(Br)=C(S(=O)(=O)Cl)C=C1 AT13513 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.126 CC1=CC(Cl)=C(S(=O)(=O)Cl)C=C1 C15981 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.126 CS(=O)(=O)C1=C(F)C=C(O)C=C1 94986 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.56 CC(=O)C1=CC(CBr)=C(Br)C=C1 N16965 [0,2,0,0,0,0|1,0,0]=3 650 B12R1.56 CC(=O)C1=CC(CCl)=C(Br)C=C1 F16009 [0,2,0,0,0,0|1,0,0]=3 651 B12R1.56 CC(=O)C1=CC(CO)=C(Br)C=C1 AT15931 [0,2,0,0,0,0|1,0,0]=3 652 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 CL9386 [0,2,0,0,0,0|1,0,0]=3 653 B12R1.56 CC1=C(CCl)C=C([N+](=O)[O-])C=C1 75266 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.56 CC1=C(NN)C=C(C(=O)O)C=C1 H10079 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)Cl)=C1 O11211 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.232 CC(=O)C1=CC(Cl)=C(Br)C=C1F AT21947 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.232 CC(=O)C1=CC(Cl)=C(F)C=C1O P18161 [0,2,0,0,0,0|1,0,0]=3 658 B12R1.232 CC(=O)C1=CC(Cl)=C(O)C=C1O AT18320 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.232 CC(=O)C1=CC(F)=C(Br)C=C1F 34098 [0,2,0,0,0,0|1,0,0]=3 660 B12R1.232 CC(=O)C1=CC(F)=C(O)C=C1O AT18317 [0,2,0,0,0,0|1,0,0]=3 661 B12R1.232 CC1=C(Br)C=C(N)C(C(=O)O)=C1 AT14637 [0,2,0,0,0,0|2,0,0]=4 662 B12R1.232 CC1=C(F)C=C(C(=O)O)C(Cl)=N1 92225 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.232 CC1=C(F)C=C(N)C(C(=O)O)=C1 Y11640 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.232 CC1=C(F)C=C([N+](=O)[O-])C(N)=C1 22784 [0,2,0,0,0,0|2,0,0]=4 665 B12R1.232 CC1=C(F)C=C([N+](=O)[O-])C(O)=C1 55943 [0,2,0,0,0,0|2,0,0]=4 666 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1Br E10199 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.232 CC1=CC(Br)=C([N+](=O)[O-])C=C1Br C74097 [0,2,0,0,0,0|2,0,0]=4 668 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1N 97574 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1N 53489 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.232 CC1=CC(C)=C(F)C=C1[N+](=O)[O-] N12936 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.232 CC1=CC(Cl)=C(Br)C=C1C(=O)O W19669 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1O O10736 [0,2,0,0,0,0|1,0,0]=3 673 B12R1.232 CC1=CC(Cl)=C(I)C=C1C(=O)O AT12520 [0,2,0,0,0,0|2,0,0]=4 674 B12R1.232 CC1=CC(F)=C([N+](=O)[O-])C=C1O AC3261 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.232 CN1C=C(Br)C(C(=O)O)=CC1=O D73951 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.232 NC(=O)C1=CC(F)=C(Cl)C=C1F E72180 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.232 NC(=O)C1=CC(F)=C(F)C=C1F C78638 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.232 NC1=C(Cl)C=C(C(=O)O)C(O)=C1 AC5568 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.232 NC1=CC(F)=C(O)C=C1C(=O)O 83942 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.232 O=C(O)C1=C(I)C=C(Br)C(Cl)=C1 70146 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.232 O=C(O)C1=CC(Br)=C(Br)C=C1Br 70145 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl F53436 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1O AT11228 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1O AT11227 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.367 CC1=C(Br)C=C([C@@H](N)CN)C=C1 N13729 [0,2,0,0,0,0|1,0,1]=4 686 B12R1.367 CC1=C(Br)C=C([C@@H](N)CN)C=C1 N13730 [0,2,0,0,0,0|1,0,1]=4 687 B12R1.367 CC1=C(Br)C=C([C@@H](N)CN)C=C1 N13731 [0,2,0,0,0,0|1,0,1]=4 688 B12R1.367 CC1=C(C)C=C([C@@H](N)CO)C=C1 N11079 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.367 CC1=C(C)C=C([C@@H](O)CN)C=C1 C78470 [0,2,0,0,0,0|0,0,2]=4 690 B12R1.367 CC1=C(C)C=C(\C(N)=N\O)C=C1 W10715 [0,2,0,0,0,0|1,0,1]=4 691 B12R1.367 CC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13720 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.367 CC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13721 [0,2,0,0,0,0|1,0,1]=4 693 B12R1.367 CC1=C(Cl)C=C([C@@H](N)CN)C=C1 N13722 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.367 CC1=C(F)C=C([C@@H](N)CN)C=C1 N13664 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.367 CC1=C(F)C=C([C@@H](N)CN)C=C1 N13665 [0,2,0,0,0,0|1,0,1]=4 696 B12R1.367 CC1=C(F)C=C([C@@H](N)CN)C=C1 N13666 [0,2,0,0,0,0|1,0,1]=4 697 B12R1.367 CC1=C(F)C=CC(C(=O)CO)=C1 AC3993 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.367 CCC(=O)C1=CC(Br)=C(Cl)C=C1 N12212 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.367 CCC(=O)C1=CC(Cl)=C(Br)C=C1 97339 [0,2,0,0,0,0|1,0,0]=3 700 B12R1.367 CCC(=O)C1=CC(Cl)=C(C)C=C1 N14084 [0,2,0,0,0,0|0,0,0]=2 701 B12R1.367 CCC(=O)C1=CC(F)=C(Br)C=C1 N14051 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.367 CCC(=O)C1=CC(F)=C(Cl)C=C1 N14046 [0,2,0,0,0,0|1,0,0]=3 703 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N12085 [0,2,0,0,0,0|1,0,1]=4 704 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N11196 [0,2,0,0,0,0|1,0,1]=4 705 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N12917 [0,2,0,0,0,0|1,0,1]=4 706 B12R1.367 CC[C@H](O)C1=CC(C)=C(C)C=C1 N14428 [0,2,0,0,0,0|0,0,2]=4 707 B12R1.367 COC(=O)C1=CC(Cl)=C(O)N=C1 AT11135 [0,2,0,0,0,0|2,0,0]=4 708 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=N1 D74352 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.367 COC(=O)C1=CC=C(O)C(I)=N1 96802 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.367 COC(=O)C1=CN=C(I)C(Br)=C1 89892 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.367 COC(=O)C1=CN=C(O)C(N)=C1 F30140 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.367 COC(=O)C1=NC(C)=C(C)N=C1 O11945 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.367 COC(=O)C1=NC(C)=C(O)C=C1 E72133 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 90208 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 38815 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.367 NCC(=O)C1=CC(F)=C(F)C=C1 D76781 [0,2,0,0,0,0|1,0,0]=3 717 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A10825 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Br)C=C1 C76866 [0,2,0,0,0,0|1,0,0]=3 719 B12R1.367 O=C(CBr)C1=CC(F)=C(Br)C=C1 80085 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.367 O=C(CO)C1=CC(Br)=C(F)C=C1 AC4430 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 AC2976 [0,2,0,0,0,0|1,0,0]=3 722 B12R1.367 O=C(CO)C1=CC(Cl)=C(F)C=C1 AC4023 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.367 O=C(CO)C1=CC(F)=C(F)C=C1 AC5616 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.893 CC(=O)C1=C(C)C(C)=C(O)C=C1 95925 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.893 CC(=O)C1=C(Cl)C(C)=C(F)C=C1 AT15825 [0,2,0,0,0,0|1,0,0]=3 726 B12R1.893 CC1=C(Br)C(C)=C(C(=O)O)C=N1 AC9442 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1F AT11325 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.893 CC1=C(C)C(C)=C(C(=O)O)C=N1 F53832 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.893 CC1=C(C)C(Cl)=C([N+](=O)[O-])C=C1 AC6291 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.893 CC1=CC=C(C(=O)O)C(C)=C1Cl D86545 [0,2,0,0,0,0|1,0,0]=3 731 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1F 97753 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.893 CC1=CC=C([N+](=O)[O-])C(C)=C1Cl C90909 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.893 CC1=CC=C([N+](=O)[O-])C(C)=C1I AC9811 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.893 CC1=CC=C([N+](=O)[O-])C(Cl)=C1Cl D96303 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.893 CC1=CC=C([N+](=O)[O-])C(Cl)=C1N AT15699 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.893 CC1=CC=C([N+](=O)[O-])C(F)=C1Br C90914 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.893 CC1=NC=C(C(=O)O)C(I)=C1Br F18390 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1F 53899 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.893 O=C(O)C1=C(F)C(O)=C(Br)C=C1 AT11234 [0,2,0,0,0,0|2,0,0]=4 740 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1F D86538 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Br 93548 [0,2,0,0,0,0|2,0,0]=4 742 B12R1.893 O=C(O)C1=CC=C(F)C(O)=C1Br AT11238 [0,2,0,0,0,0|2,0,0]=4 743 B12R1.893 O=C([O-])C1=CC=C(F)C(F)=C1F CK2200 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.1005 CC(=O)C1=CC(F)=C(N)C(F)=C1 34090 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.1005 CC(=O)C1=CC(F)=C(O)C(F)=C1 C14594 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.1005 CC1=C(Br)C=C(C(N)=O)C=C1Br C11814 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.1005 CC1=C(Br)C=C(C(N)=O)C=C1Cl AC2881 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.1005 CC1=C(Br)C=C([N+](=O)[O-])C=C1Br A11891 [0,2,0,0,0,0|2,0,0]=4 749 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O 26358 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.1005 CC1=CC(C(=O)O)=CC(=O)N1C AT13834 [0,2,0,0,0,0|2,0,0]=4 751 B12R1.1005 NC1=CC(C(=O)O)=CC(Br)=C1O C16515 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(Br)=C1 AC6078 [0,2,0,0,0,0|2,0,0]=4 753 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(F)=C1 AT11229 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.1005 O=C(O)C1=CC(I)=C(F)C(Br)=C1 AT21199 [0,2,0,0,0,0|2,0,0]=4 755 B12R1.12 CCC(=C=O)C1=CC=C(C)C=C1 F50686 [0,2,0,0,0,0|0,0,0]=2 756 B12R1.12 COC(OC)C1=CC=C(C)C=C1 D76271 [0,2,0,0,0,0|0,0,2]=4 757 B12R1.16 CCCC(=O)C1=CN=C(Br)C=C1 N14277 [0,2,0,0,0,0|2,0,0]=4 758 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 91791 [0,2,0,0,0,0|2,0,0]=4 759 B12R1.16 CCOC(=O)C1=NC=C(C)C=N1 D88008 [0,2,0,0,0,0|2,0,0]=4 760 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 FD6033 [0,2,0,0,0,0|1,0,0]=3 761 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13753 [0,2,0,0,0,0|1,0,1]=4 762 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13754 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13755 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13768 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.1703 CC1=CC(C)=C([C@@H](N)CN)C=C1 N13769 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.1703 CC1=CC(C)=C([C@@H](O)CN)C=C1 C77862 [0,2,0,0,0,0|0,0,2]=4 767 B12R1.1703 CC1=CC(C)=C(\C(N)=N\O)C=C1 92953 [0,2,0,0,0,0|1,0,1]=4 768 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13631 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13632 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CN)C=C1 N13633 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.1703 CC1=CC(Cl)=C(\C(N)=N\O)C=C1 92955 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13557 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13558 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.1703 CC1=CC(F)=C([C@@H](N)CN)C=C1 N13559 [0,2,0,0,0,0|1,0,1]=4 775 B12R1.1703 CC1=CC(F)=C(\C(N)=N\O)C=C1 92956 [0,2,0,0,0,0|1,0,1]=4 776 B12R1.1703 CCC(=O)C1=C(Br)C=C(Br)C=C1 N14094 [0,2,0,0,0,0|1,0,0]=3 777 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,2,0,0,0,0|0,0,0]=2 778 B12R1.1703 CCC(=O)C1=C(C)C=C(O)C=C1 91379 [0,2,0,0,0,0|1,0,0]=3 779 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 98264 [0,2,0,0,0,0|1,0,0]=3 780 B12R1.1703 CCC(=O)C1=C(Cl)C=C(C)C=C1 N14082 [0,2,0,0,0,0|0,0,0]=2 781 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,2,0,0,0,0|0,0,0]=2 782 B12R1.1703 CCC(=O)C1=C(O)C=C(Cl)C=C1 98266 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 N12160 [0,2,0,0,0,0|1,0,1]=4 784 B12R1.1703 CC[C@H](O)C1=C(C)C=C(C)C=C1 N14425 [0,2,0,0,0,0|0,0,2]=4 785 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 92895 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.1703 COC(=O)C1=C(C)OC(=O)C=C1 C16199 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 D74278 [0,2,0,0,0,0|2,0,0]=4 788 B12R1.1703 COC(=O)C1=C(S)C=C(Cl)C=C1 AT20785 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Br F17566 [0,2,0,0,0,0|2,0,0]=4 790 B12R1.1703 C\C(=N/O)C1=C([Pd+])C=C(O)C=C1 T70903 [0,2,0,0,0,0|1,0,1]=4 791 B12R1.1703 O=C(CBr)C1=C(Br)C=C(Cl)C=C1 96292 [0,2,0,0,0,0|1,0,0]=3 792 B12R1.1703 O=C(CBr)C1=NC=C(Cl)C=C1Cl A10726 [0,2,0,0,0,0|2,0,0]=4 793 B12R1.1703 O=C(CCl)C1=C(Cl)C=C(F)C=N1 BL010220 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.1703 O=C(CCl)C1=C(O)C=C(F)C=C1 AC4164 [0,2,0,0,0,0|1,0,0]=3 795 B12R1.1703 O=C(CO)C1=C(Cl)C=C(Br)C=C1 AC4519 [0,2,0,0,0,0|1,0,0]=3 796 B12R1.1703 O=C(CO)C1=C(F)C=C(Br)C=C1 AC4523 [0,2,0,0,0,0|1,0,0]=3 797 B12R1.1703 O=C(CO)C1=C(F)C=C(F)C=C1 AC4317 [0,2,0,0,0,0|1,0,0]=3 798 B12R1.1703 O=C(NO)C1=C(Br)C=C(Cl)C=C1 96293 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 75347 [0,2,0,0,0,0|1,0,1]=4 800 B12R1.57 CC(=O)C1=C(C#N)C=C(F)C=C1 F13350 [0,2,0,0,0,0|1,0,0]=3 801 B12R1.57 CC1=CC(CBr)=C([N+](=O)[O-])C=C1 C13541 [0,2,0,0,0,0|2,0,0]=4 802 B12R1.57 CCC1=C(C(C)=O)C=CC(O)=C1 D88175 [0,2,0,0,0,0|1,0,0]=3 803 B12R1.57 CNC1=C(C(=O)O)C=CC(Br)=C1 D87579 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.57 CNC1=C(C(=O)O)C=CC(Cl)=C1 C15968 [0,2,0,0,0,0|2,0,0]=4 805 B12R1.57 CNC1=C(C(=O)O)C=CC(F)=C1 S11455 [0,2,0,0,0,0|2,0,0]=4 806 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 AT19378 [0,2,0,0,0,0|2,0,0]=4 807 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=N1 N13947 [0,2,0,0,0,0|2,0,0]=4 808 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 W17789 [0,2,0,0,0,0|1,0,0]=3 809 B12R1.57 COC1=C(C(N)=O)C=CC(N)=C1 92906 [0,2,0,0,0,0|2,0,0]=4 810 B12R1.57 CSC1=C(C(=O)O)C=CC(Br)=C1 AT10168 [0,2,0,0,0,0|2,0,0]=4 811 B12R1.1000 CC(=O)C1=C(Br)C=C(Br)C=C1O 93704 [0,2,0,0,0,0|1,0,0]=3 812 B12R1.1000 CC(=O)C1=C(Br)C=C(F)C=C1Br 94049 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.1000 CC(=O)C1=C(Cl)C=C(Br)C=C1F 88210 [0,2,0,0,0,0|1,0,0]=3 814 B12R1.1000 CC(=O)C1=C(Cl)C=C(Cl)N=C1Cl F13137 [0,2,0,0,0,0|2,0,0]=4 815 B12R1.1000 CC(=O)C1=C(F)C=C(I)C=C1F 93672 [0,2,0,0,0,0|1,0,0]=3 816 B12R1.1000 CC(=O)C1=C(F)C=C(O)C=C1F AC4047 [0,2,0,0,0,0|1,0,0]=3 817 B12R1.1000 CC1=CC(C)=C(C(=O)[O-])C(C)=C1 D89560 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 E71773 [0,2,0,0,0,0|1,0,1]=4 819 B12R1.1000 CC1=CC(C)=NC(N)=C1C(N)=O AT23977 [0,2,0,0,0,0|2,0,0]=4 820 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 93339 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=N1 C75632 [0,2,0,0,0,0|2,0,0]=4 822 B12R1.1000 CC1=CC(Cl)=CC(I)=C1C(=O)O 55380 [0,2,0,0,0,0|2,0,0]=4 823 B12R1.1000 CC1=CC(F)=C([N+](=O)[O-])C(C)=C1 AT24272 [0,2,0,0,0,0|2,0,0]=4 824 B12R1.1000 CC1=CC(F)=CC(F)=C1C(=O)O 97410 [0,2,0,0,0,0|2,0,0]=4 825 B12R1.1000 CC1=CC(F)=CC(I)=C1C(=O)O 55384 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(=O)N1 D75290 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 95585 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.1000 NC(=O)C1=C(Br)C=C(Br)C=C1F F17851 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.1000 NC(=O)C1=C(F)C=C(N)C=C1F 92903 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.1000 NC(=O)C1=C(F)C=C(N)C=C1F 92904 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.1000 NC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 51298 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.1000 NC1=CC(F)=CC(Cl)=C1C(=O)O E72075 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1F F18335 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.1000 O=C(O)C1=C(Br)C=C(Cl)C=C1F AT10675 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.1000 O=C(O)C1=C(Br)C=C(F)C=C1Cl AT10674 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.1000 O=C(O)C1=C(Cl)C=C(I)C=C1Cl CS2697 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 93673 [0,2,0,0,0,0|2,0,0]=4 838 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [1,0,0,1,0,0|1,0,1]=4 839 B12R2.606 CC1=CC2=C(C=C(Br)C=C2)S1 82307 [0,0,0,1,0,1|1,1,0]=4 840 B12R2.606 CC1=CC2=C(C=C1)N=C(C)O2 AC6304 [0,0,0,1,0,1|0,0,1]=3 841 B12R2.606 CC1=CC2=C(C=C1)NC(=O)O2 AC5672 [0,0,0,1,0,1|1,0,0]=3 842 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [0,0,0,1,0,1|1,0,0]=3 843 B12R2.606 CC1=CC2=C(C=C1)SC(S)=N2 O11474 [0,0,0,1,0,1|1,1,0]=4 844 B12R2.606 CC1=CC2=C(C=CC(Br)=C2)O1 D78665 [0,0,0,1,0,1|2,0,0]=4 845 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 AC5757 [0,0,0,1,0,1|2,0,0]=4 846 B12R2.606 CC1=CN=C2NC(C)=CC2=C1 I10967 [0,0,0,1,0,1|2,0,0]=4 847 B12R2.606 CC1=NC2=C(C=C(F)C=C2)O1 AC5868 [0,0,0,1,0,1|1,0,1]=4 848 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 A12583 [0,0,0,1,0,1|1,0,1]=4 849 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 75571 [0,0,0,1,0,1|1,1,0]=4 850 B12R2.606 O=C1CC2=C(N=CC(O)=C2)N1 P18372 [0,0,0,1,0,1|2,0,0]=4 851 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [0,0,0,1,0,1|2,0,0]=4 852 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [0,0,0,1,0,1|2,0,0]=4 853 B12R2.9 BrCC1=CC=C(C2CC2)C=C1 51969 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.9 CCC1=CC=C(C2CC2)C=C1 AC8465 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.9 COC1=CC=C(C2CC2)C=C1 F53529 [0,1,0,1,0,0|1,0,1]=4 856 B12R2.9 ClCC1=CC=C(C2CC2)C=C1 P12610 [0,1,0,1,0,0|1,0,1]=4 857 B12R2.9 NCC1=CC=C(C2CC2)C=C1 33490 [0,1,0,1,0,0|1,0,1]=4 858 B12R2.291 CC1=C(N)C=C(C2CC2)C=C1 AC9034 [0,1,0,1,0,0|1,0,1]=4 859 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,1,0,1,0,0|0,0,0]=2 860 B12R2.612 CC1=CC2=C(C=C1)C(Br)=NN2 P10511 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NN2 C16594 [0,1,0,1,0,0|2,0,0]=4 862 B12R2.612 CC1=CC2=C(C=C1)C(N)=NN2 90926 [0,1,0,1,0,0|2,0,0]=4 863 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,1,0,1,0,0|1,0,1]=4 864 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N11326 [0,1,0,1,0,0|1,0,1]=4 865 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16521 [0,1,0,1,0,0|1,0,1]=4 866 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CO2 N16523 [0,1,0,1,0,0|1,0,1]=4 867 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [0,1,0,1,0,0|1,0,1]=4 868 B12R2.612 CC1=NSC2=C1C=CC(Br)=C2 E72372 [0,1,0,1,0,0|1,1,0]=4 869 B12R2.612 CC1=NSC2=C1C=CC(N)=C2 E72373 [0,1,0,1,0,0|1,1,0]=4 870 B12R2.612 O=C1CCC2=C1C=CC(Cl)=N2 94539 [0,1,0,1,0,0|2,0,0]=4 871 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,1,0,1,0,0|1,0,0]=3 872 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [0,1,0,1,0,0|1,0,1]=4 873 B12R2.612 O=C1ONC2=C1C=CC(Br)=C2 D78660 [0,1,0,1,0,0|2,0,0]=4 874 B12R2.1317 CC1=CC(C)=C(C2CC2)C=C1 AC9569 [0,1,0,1,0,0|1,0,1]=4 875 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [1,0,0,0,1,0|2,0,0]=4 876 B8R1.1 CC1=NNC(C=O)=C1 79805 [1,0,0,0,1,0|2,0,0]=4 877 B8R1.1 CC1=NSC(C=O)=C1 C16590 [1,0,0,0,1,0|2,0,0]=4 878 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [1,0,0,0,1,0|2,0,0]=4 879 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [1,0,0,0,1,0|2,0,0]=4 880 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [1,0,0,0,1,0|2,0,0]=4 881 B8R1.7 CC(=O)C1=CN=CO1 F19037 [1,0,0,0,1,0|2,0,0]=4 882 B8R1.7 CC(=O)C1=COC=N1 AT18593 [1,0,0,0,1,0|2,0,0]=4 883 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [1,0,0,0,1,0|2,0,0]=4 884 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [1,0,0,0,0,1|2,0,0]=4 885 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,0,0,0,1|0,0,0]=2 886 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,0,0,0,0,1|0,0,2]=4 887 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,0,0,0,0,1|0,0,2]=4 888 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [1,0,0,0,0,1|2,0,0]=4 889 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,0,0,0,0,1|2,0,0]=4 890 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [1,0,0,0,0,1|2,0,0]=4 891 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,0,0,0,0,2|1,0,0]=3 892 B12R1.21 CC(=O)NCC1=CN=C(Cl)C=C1 F12000 [0,0,0,0,0,2|2,0,0]=4 893 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [0,0,0,0,0,2|1,0,0]=3 894 B12R1.21 CC1=CC=C(CNC(C)C)C=C1 C78416 [0,0,0,0,0,2|1,0,1]=4 895 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 C78123 [0,0,0,0,0,2|1,0,1]=4 896 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,0,0,0,0,2|1,0,0]=3 897 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,0,0,0,0,2|2,0,0]=4 898 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [0,0,0,0,0,2|2,0,0]=4 899 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,0,0,0,0,2|2,0,0]=4