0 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 CC1=CN=C(B(O)O)C=C1 F10369 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 CC1=CN=C(B([O-])O)C=C1 AT15741 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 73092 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 C[N+]1=CC=C(B(O)O)C=C1 AT14603 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 56664 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 AC8768 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,0,0,0,0,0|1,1,1]=4 29 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 O=CC1=NC=C(Br)C=N1 38375 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 OCC1=NC=C(O)C=N1 72629 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [1,0,0,0,0,0|0,0,0]=1 40 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [1,0,0,0,0,0|3,0,0]=4 42 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.3 CNC1=CC=C(B(O)O)C=C1 N10060 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.3 COC1=CN=C(B(O)O)C=C1 64590 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 N10328 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,1,0,0,0,0|1,1,1]=4 53 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,1,0,0,0,0|1,1,1]=4 54 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.3 OCC1=CC=C(C(F)F)C=C1 AT10625 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 95895 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT17933 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C14784 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F52062 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 FD1163 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O10169 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10983 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13714 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13756 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15718 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15764 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15884 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15911 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16530 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16531 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.19 C[Si](C)(C)C1=CC=C(O)C=C1 D76703 [0,1,0,0,0,0|2,1,0]=4 81 B11R1.19 NC1=CC=C(P(=O)(O)O)C=C1 D88549 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 C16387 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 N11848 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.19 O=S(=O)(O)C1=CC=C(F)C=C1 AC3124 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,1,0,0,0,0|1,0,0]=2 86 B11R1.21 CC1=C(Br)C=C(B(O)O)C=C1 D71574 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.21 CC1=C(O)C=CC([C@H](C)N)=C1 N14776 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 57159 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11379 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11380 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 D71431 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.21 NC1=C(F)C=C(B(O)O)C=C1 85292 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.21 NC1=C(F)C=CC(B(O)O)=C1 I12541 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.21 NC1=C(S)C=CC([N+](=O)[O-])=C1 AT19650 [0,1,0,0,0,0|1,1,1]=4 101 B11R1.21 NC1=NC=C(C(=O)O)N=C1I P13455 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,1,0,0,0,0|2,0,0]=3 105 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,1,0,0,0,0|2,0,0]=3 106 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.22 C#C[C@@H](O)C1=CC=C(Br)C=C1 AC6934 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.22 C#C[C@@H](O)C1=CC=C(C)C=C1 AC6704 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.22 C#C[C@@H](O)C1=CC=C(Cl)C=C1 AC5833 [0,1,0,0,0,0|2,0,1]=4 110 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15298 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15299 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.22 C=C[C@H](N)C1=CC=C(O)C=C1 N15300 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,1,0,0,0,0|1,0,0]=2 115 B11R1.22 CC1=CC=C(C(=S)NN)C=C1 W10974 [0,1,0,0,0,0|2,1,0]=4 116 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.22 CC1=CN=C(\C(C)=N\O)C=C1 AB10298 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 70995 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [0,1,0,0,0,0|1,0,1]=3 135 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [0,1,0,0,0,0|1,0,1]=3 136 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [0,1,0,0,0,0|2,0,1]=4 143 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 56645 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,1,0,0,0,0|2,0,0]=3 157 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,1,0,0,0,0|3,0,0]=4 158 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11374 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11378 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.166 N=C(N)C1=C(Cl)C=C(Br)C=C1 D86997 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 92721 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 C14169 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.166 N=C(N)C1=C(F)C=C(O)C=C1 D87625 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.166 NC(=O)C1=C(N)N=C(F)C=C1 F20285 [0,1,0,0,0,0|3,0,0]=4 165 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.166 NC(=O)C1=NC=C(Br)C=C1Cl AC3839 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.166 NC1=C(B(O)O)C=CC(Cl)=C1 W16867 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [0,1,0,0,0,0|1,0,0]=2 176 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,1,0,0,0,0|1,0,0]=2 177 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.166 O=C(O)C1=NN=C(O)C=C1O W15300 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.166 OB(O)C1=C(O)C=C(Br)C=C1 D71659 [0,1,0,0,0,0|2,0,1]=4 180 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,0,0,0,1,0|3,0,0]=4 181 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,0,0,0,1,0|3,0,0]=4 182 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,0,0,0,1,0|3,0,0]=4 183 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,0,0,0,1,0|3,0,0]=4 184 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,0,0,0,1,0|3,0,0]=4 185 B9R1.35 NC(=O)C1=CC(O)=NO1 C72596 [0,0,0,0,1,0|3,0,0]=4 186 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,0,0,0,1,0|3,0,0]=4 187 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,0,0,0,1,0|3,0,0]=4 188 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,0,0,0,1,0|2,0,0]=3 189 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [0,0,0,0,1,0|3,0,0]=4 190 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,0,0,0,1,0|3,0,0]=4 191 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,0,0,0,1,0|1,0,0]=2 192 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,0,0,0,1,0|2,0,0]=3 193 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,0,0,0,1,0|2,0,0]=3 194 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,0,0,0,1,0|3,0,0]=4 195 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,0,0,0,1,0|3,0,0]=4 196 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,0,0,0,1,0|2,1,0]=4 197 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,0,0,0,1,0|3,0,0]=4 198 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,0,0,0,0,1|3,0,0]=4 199 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,0,0,0,0,1|2,0,1]=4 200 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,0,0,0,0,1|2,0,1]=4 201 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 85180 [0,0,0,0,0,1|2,0,1]=4 202 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 T72468 [0,0,0,0,0,1|2,1,0]=4 203 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,0,0,0,0,1|3,0,0]=4 204 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,0,0,0,0,1|3,0,0]=4 205 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,0,0,0,0,1|2,0,0]=3 206 B8R1.2 C=CC1=CC=CN=C1 71366 [2,0,0,0,0,0|2,0,0]=4 207 B8R1.2 NCC1=CC=CC=C1 T70846 [2,0,0,0,0,0|1,0,1]=4 208 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.1 CC1=CC=C(\C=N\O)C=C1 AC8737 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.1 COCC1=CC=C(S)C=C1 AT20980 [1,1,0,0,0,0|0,1,1]=4 213 B10R1.1 N\N=C\C1=CC=C(O)C=C1 F15571 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.1 O=CNC1=CC=C(F)C=C1 F21300 [1,1,0,0,0,0|1,0,0]=3 215 B10R1.3 C=CC1=CC=C(C#N)C=C1 D76989 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.3 C=CC1=CN=C(OC)C=C1 P11583 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.3 CCC1=CN=C(C=O)C=C1 C74094 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.3 CSC1=NC=C(C=O)C=C1 54709 [1,1,0,0,0,0|1,1,0]=4 219 B10R1.3 NCC1=CC=C(C=O)C=C1 N13169 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.3 OCC1=CN=C(CO)C=C1 AC5585 [1,1,0,0,0,0|1,0,1]=4 221 B10R1.3 [C-]#[N+]C1=CC=C(OC)C=C1 AT23890 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 C=CC1=C(F)C=C(Cl)C=C1 AC6667 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.25 CC1=C(CO)C=CC(Cl)=C1 T70197 [1,1,0,0,0,0|1,0,1]=4 224 B10R1.25 CC1=C(CO)C=CC(F)=C1 CK2474 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.25 CC1=C(CO)C=CC(O)=C1 N13176 [1,1,0,0,0,0|0,0,1]=3 226 B10R1.25 CC1=CC(Br)=C(C=O)C=N1 C14106 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.25 CC1=CC(Br)=C(C=O)N=C1 53823 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.25 CC1=CC(F)=C(CO)C=C1 98275 [1,1,0,0,0,0|1,0,1]=4 230 B10R1.25 CC1=CC(N)=C(C=O)C=C1 F15845 [1,1,0,0,0,0|1,0,0]=3 231 B10R1.25 CC1=CC(N)=C(CO)C=C1 O10038 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.25 CC1=CC(O)=C(CO)C=C1 N12596 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 97231 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 66186 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.25 NC1=C(CO)C=CC(F)=C1 AC5155 [1,1,0,0,0,0|1,0,1]=4 238 B10R1.25 NC1=CC(F)=C(CO)C=C1 AT26531 [1,1,0,0,0,0|1,0,1]=4 239 B10R1.25 NC1=CC(O)=C(CO)C=C1 D76340 [1,1,0,0,0,0|1,0,1]=4 240 B10R1.25 NCC1=C(Cl)C=C(O)C=C1 F52064 [1,1,0,0,0,0|1,0,1]=4 241 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14307 [1,1,0,0,0,0|1,0,1]=4 242 B10R1.25 NCC1=C(O)C=C(O)C=C1 I11211 [1,1,0,0,0,0|1,0,1]=4 243 B10R1.25 O=CC1=C(Cl)C=C(F)C=N1 BL010213 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.25 O=CC1=C(I)C=C(Cl)C=C1 C90858 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.25 O=CC1=CC=C(F)N=C1Br AT22753 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 C90809 [1,1,0,0,0,0|1,0,1]=4 247 B10R1.25 OCC1=C(O)C=C(F)C=C1 A51208 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 C14264 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.176 CC1=C(I)C=C(CO)C=C1 D75885 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.176 CC1=C(N)C=CC(CO)=C1 F15978 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14330 [1,1,0,0,0,0|1,0,1]=4 252 B10R1.176 CCC1=CC(O)=C(O)C=C1 70407 [1,1,0,0,0,0|1,0,1]=4 253 B10R1.176 CSC1=CC(C)=C(O)C=C1 AT20904 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.176 O=C1C=C(CO)C=CN1O C92065 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.176 O=CC1=CC(Br)=C(I)C=C1 AT26050 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 AT23715 [1,1,0,0,0,0|1,0,0]=3 257 B10R1.176 OCC1=CC(I)=C(Br)C=C1 97475 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.176 OCC1=CC=C(O)C(Br)=N1 F53642 [1,1,0,0,0,0|1,0,1]=4 259 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [1,1,0,0,0,0|2,0,0]=4 261 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [1,1,0,0,0,0|1,0,1]=4 265 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [1,1,0,0,0,0|1,0,1]=4 267 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [1,1,0,0,0,0|1,0,1]=4 268 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [1,1,0,0,0,0|1,0,1]=4 269 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [1,1,0,0,0,0|2,0,0]=4 272 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [1,1,0,0,0,0|1,0,0]=3 273 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 AT24168 [1,1,0,0,0,0|1,0,1]=4 277 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [1,1,0,0,0,0|1,0,1]=4 278 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [1,1,0,0,0,0|2,0,0]=4 280 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [1,1,0,0,0,0|2,0,0]=4 281 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [1,1,0,0,0,0|1,0,0]=3 284 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [1,1,0,0,0,0|0,0,0]=2 286 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [1,1,0,0,0,0|2,0,0]=4 287 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [1,1,0,0,0,0|2,0,0]=4 288 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.61 O=C(O)C1=CN=CN=C1Cl F10440 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [1,1,0,0,0,0|0,0,1]=3 292 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [1,1,0,0,0,0|0,0,1]=3 293 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [1,1,0,0,0,0|1,0,1]=4 297 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [1,1,0,0,0,0|1,0,1]=4 298 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [1,1,0,0,0,0|1,1,0]=4 301 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [1,1,0,0,0,0|0,0,1]=3 305 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.113 OB(O)C1=CC=CC(S)=C1 C10361 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.14 CC1=CC=C(C(=O)CO)O1 AC5801 [0,1,0,0,1,0|2,0,0]=4 308 B10R1.14 CC1=CC=C(C(=O)CO)S1 AC3828 [0,1,0,0,1,0|2,0,0]=4 309 B10R1.14 COC(=O)C1=CC=C(F)S1 D87046 [0,1,0,0,1,0|2,0,0]=4 310 B10R1.14 COC(=O)C1=CNC(C)=C1 AT21660 [0,1,0,0,1,0|2,0,0]=4 311 B10R1.14 COC(=O)C1=CNC(Cl)=C1 AC6843 [0,1,0,0,1,0|2,0,0]=4 312 B10R1.14 COC(=O)C1=CSC(I)=C1 74713 [0,1,0,0,1,0|2,0,0]=4 313 B10R1.31 CCC1=CC=C(C(=O)O)O1 AT17158 [0,1,0,0,1,0|2,0,0]=4 314 B10R1.31 COC1=CC=C(C(=O)O)O1 AT17094 [0,1,0,0,1,0|1,0,0]=3 315 B10R1.31 COC1=NC(C(=O)O)=CO1 AT18455 [0,1,0,0,1,0|2,0,0]=4 316 B10R1.31 CSC1=CC(C(=O)O)=CO1 AT17277 [0,1,0,0,1,0|1,1,0]=4 317 B10R1.31 CSC1=CC=C(C(=O)O)O1 AT17280 [0,1,0,0,1,0|1,1,0]=4 318 B10R1.31 NCC1=CC=C(C(=O)O)O1 AT17184 [0,1,0,0,1,0|2,0,0]=4 319 B10R1.31 NCC1=CC=C(C(=O)O)S1 AT24853 [0,1,0,0,1,0|2,0,0]=4 320 B10R1.31 O=C(O)C1=COC(CO)=C1 AT17501 [0,1,0,0,1,0|1,0,0]=3 321 B10R1.31 O=CC1=CC(C(=O)O)=CS1 AT16777 [0,1,0,0,1,0|1,0,1]=4 322 B10R1.31 O=CC1=CNC(C(=O)O)=C1 I11670 [0,1,0,0,1,0|1,0,1]=4 323 B10R1.31 O=CC1=CSC(C(=O)O)=C1 AT16396 [0,1,0,0,1,0|1,0,1]=4 324 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 W10228 [0,1,0,0,1,0|2,0,0]=4 325 B10R1.58 CN1C=C(C(=O)O)C=C1Br C91432 [0,1,0,0,1,0|2,0,0]=4 326 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 27225 [0,1,0,0,1,0|2,0,0]=4 327 B10R1.59 CC1=CC(C(=O)O)=C(Br)S1 92997 [0,1,0,0,1,0|2,0,0]=4 328 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 AT17163 [0,1,0,0,1,0|2,0,0]=4 329 B10R1.59 CC1=CC(C)=C(C(=O)O)S1 AT16400 [0,1,0,0,1,0|2,0,0]=4 330 B10R1.59 CC1=CN(C)C=C1C(=O)O AT10393 [0,1,0,0,1,0|2,0,0]=4 331 B10R1.59 NC1=C(C(=O)O)SC(Br)=C1 58229 [0,1,0,0,1,0|2,0,0]=4 332 B10R1.194 CC1=COC(C(=O)O)=C1C AT17164 [0,1,0,0,1,0|2,0,0]=4 333 B10R1.194 CC1=CSC(C(=O)O)=C1Br AT11772 [0,1,0,0,1,0|2,0,0]=4 334 B10R1.194 NC1=C(C(=O)O)SC=C1Br N16943 [0,1,0,0,1,0|2,0,0]=4 335 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 S12245 [0,1,0,0,0,1|2,0,0]=4 336 B12R1.4 NNC1=CC=C(CC(N)=O)C=C1 F30826 [0,1,0,0,0,1|2,0,0]=4 337 B12R1.19 CC(=O)NC1=CC(F)=C(C)C=C1 E72199 [0,1,0,0,0,1|2,0,0]=4 338 B12R1.19 CC(=O)NC1=CC(I)=C(C)C=C1 AC7468 [0,1,0,0,0,1|2,0,0]=4 339 B12R1.19 CC(=O)OC1=CC(Br)=C(F)C=C1 C11086 [0,1,0,0,0,1|2,0,0]=4 340 B12R1.19 CC1=C(Cl)C=CC(CC(=O)O)=C1 D96291 [0,1,0,0,0,1|1,0,0]=3 341 B12R1.19 CC1=C(F)C=CC(OC(=O)Cl)=C1 FD10709 [0,1,0,0,0,1|2,0,0]=4 342 B12R1.19 CC1=CC(CC(=O)O)=CN=C1Cl 97211 [0,1,0,0,0,1|2,0,0]=4 343 B12R1.19 O=C(O)CC1=CN=C(Cl)C(F)=C1 97208 [0,1,0,0,0,1|2,0,0]=4 344 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 H11214 [0,1,0,0,0,1|2,0,0]=4 345 B12R1.20 CC(=O)C(=O)C1=CC=C(C)C=C1 H11218 [0,1,0,0,0,1|2,0,0]=4 346 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Br)C=C1 N15666 [0,1,0,0,0,1|2,0,0]=4 347 B12R1.20 CC(=O)[C@H](N)C1=CC=C(C)C=C1 N15700 [0,1,0,0,0,1|2,0,0]=4 348 B12R1.20 CC(=O)[C@H](N)C1=CC=C(Cl)C=C1 N15653 [0,1,0,0,0,1|2,0,0]=4 349 B12R1.20 CC(=O)[C@H](N)C1=CC=C(F)C=C1 N15652 [0,1,0,0,0,1|2,0,0]=4 350 B12R1.20 CC(=O)[C@H](N)C1=CC=C(N)C=C1 N16145 [0,1,0,0,0,1|2,0,0]=4 351 B12R1.20 CC(O)C(N)C1=CC=C(O)C=C1 N15674 [0,1,0,0,0,1|1,0,1]=4 352 B12R1.20 CC(O)[C@H](N)C1=CC=C(O)C=C1 N15675 [0,1,0,0,0,1|1,0,1]=4 353 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y11713 [0,1,0,0,0,1|1,0,0]=3 354 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [0,1,0,0,0,1|1,0,0]=3 355 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,1,0,0,0,1|2,0,0]=4 356 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15676 [0,1,0,0,0,1|1,0,1]=4 357 B12R1.20 C[C@@H](O)[C@H](N)C1=CC=C(O)C=C1 N15678 [0,1,0,0,0,1|1,0,1]=4 358 B12R1.20 C[C@H](O)[C@H](N)C1=CC=C(O)C=C1 N15677 [0,1,0,0,0,1|1,0,1]=4 359 B12R1.20 NC(=O)[C@H](N)C1=CC=C(F)C=C1 C77553 [0,1,0,0,0,1|2,0,0]=4 360 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Br)C=C1 N10974 [0,1,0,0,0,1|1,0,0]=3 361 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 AC7645 [0,1,0,0,0,1|1,0,0]=3 362 B12R1.20 N[C@@H](C(=O)O)C1=CN=C(Br)C=C1 68602 [0,1,0,0,0,1|2,0,0]=4 363 B12R1.20 N[C@@H](C(=O)O)C1=CN=C(Cl)C=C1 69945 [0,1,0,0,0,1|2,0,0]=4 364 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Br)C=C1 98573 [0,1,0,0,0,1|1,0,0]=3 365 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,1,0,0,0,1|1,0,0]=3 366 B12R1.20 O=C(O)[C@H](F)C1=CC=C(F)C=C1 98569 [0,1,0,0,0,1|1,0,0]=3 367 B12R1.49 C=CC(=O)NC1=CC=C(C)C=C1 N11698 [0,1,0,0,0,1|2,0,0]=4 368 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,1,0,0,0,1|2,0,0]=4 369 B12R1.49 CCC(=O)CC1=CC=C(I)C=C1 85181 [0,1,0,0,0,1|2,0,0]=4 370 B12R1.49 COC(=O)CC1=CN=C(N)C=C1 D71900 [0,1,0,0,0,1|2,0,0]=4 371 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,1,0,0,0,1|2,0,0]=4 372 B12R1.49 C\C(=C/C1=CC=C(F)C=C1)CO F53074 [0,1,0,0,0,1|2,0,0]=4 373 B12R1.49 N#CC(=O)CC1=CC=C(Cl)C=C1 83342 [0,1,0,0,0,1|2,0,0]=4 374 B12R1.49 NCC(=O)CC1=CC=C(F)C=C1 D87535 [0,1,0,0,0,1|2,0,0]=4 375 B12R1.49 NCC(=O)NC1=CC=C(F)C=C1 F21123 [0,1,0,0,0,1|2,0,0]=4 376 B12R1.49 NNC(=O)NC1=CC=C(Br)C=C1 W12874 [0,1,0,0,0,1|2,0,0]=4 377 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 C78266 [0,1,0,0,0,1|1,0,1]=4 378 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 C78062 [0,1,0,0,0,1|2,0,0]=4 379 B12R1.106 CS(C)(=O)=NC1=CC=C(O)C=C1 AT18480 [0,1,0,0,0,1|2,0,0]=4 380 B12R1.106 NC1=CC=C(CP(=O)(O)O)C=C1 F17199 [0,1,0,0,0,1|2,0,0]=4 381 B12R1.106 NS(=O)(=O)NC1=CC=C(O)C=C1 E70194 [0,1,0,0,0,1|1,0,1]=4 382 B12R1.233 CC(=O)CC1=C(Cl)C=C(F)C=C1 F30166 [0,1,0,0,0,1|2,0,0]=4 383 B12R1.233 CC(=O)CC1=C(F)C=C(Cl)C=C1 96498 [0,1,0,0,0,1|2,0,0]=4 384 B12R1.233 CC(=O)NC1=C(C)C=C(Br)C=C1 C13349 [0,1,0,0,0,1|2,0,0]=4 385 B12R1.233 CC(=O)NC1=C(I)C=C(F)C=C1 AT19905 [0,1,0,0,0,1|2,0,0]=4 386 B12R1.233 CC(=O)OC1=C(F)C=C(Br)C=C1 AT14688 [0,1,0,0,0,1|2,0,0]=4 387 B12R1.233 O=C(O)CN1C=CC(Br)=CC1=O D76191 [0,1,0,0,0,1|2,0,0]=4 388 B12R1.5 C#C[C@@H](O)C1=CC=C(OC)C=C1 AC5064 [0,2,0,0,0,0|1,0,1]=4 389 B12R1.5 CCC1=CC=C(C(=O)C=O)C=C1 23929 [0,2,0,0,0,0|1,0,1]=4 390 B12R1.5 CCC1=CC=C(C(=O)CO)C=C1 AC2757 [0,2,0,0,0,0|1,0,0]=3 391 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 92554 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.5 CNC(=O)C1=CC=C(CBr)C=C1 D97640 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.5 CNC(=O)C1=CC=C(CN)C=C1 97528 [0,2,0,0,0,0|2,0,0]=4 394 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 57141 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 P16732 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.5 COC(=O)C1=NC=C(CO)N=C1 89312 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.5 COC(=O)C1=NN=C(OC)C=C1 94343 [0,2,0,0,0,0|2,0,0]=4 398 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 76157 [0,2,0,0,0,0|0,0,1]=3 399 B12R1.5 COC1=CC=C(C(=O)CO)C=C1 AC6103 [0,2,0,0,0,0|0,0,0]=2 400 B12R1.5 COC1=CC=C([C@@H](O)CN)C=C1 C78301 [0,2,0,0,0,0|1,0,1]=4 401 B12R1.5 COC1=NC=C(C(=O)CCl)C=C1 D77905 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.5 COC1=NC=C(C(=O)NN)C=C1 W19083 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 H10559 [0,2,0,0,0,0|1,1,0]=4 404 B12R1.6 COC1=CC=C([S@@](C)(=N)=O)C=C1 W18264 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.6 NCC1=CC=C(S(=O)(=O)O)C=C1 AC7999 [0,2,0,0,0,0|2,0,0]=4 406 B12R1.48 C#CC1=C(F)C=C(C(=O)O)C=C1 C73577 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 35226 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.48 CC(=O)C1=CC(Br)=C(CBr)C=C1 W17125 [0,2,0,0,0,0|2,0,0]=4 409 B12R1.48 CC(=O)C1=CC(Cl)=C(C#N)C=C1 95965 [0,2,0,0,0,0|2,0,0]=4 410 B12R1.48 CCC1=C(Br)C=C(C(C)=O)C=C1 F17056 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.48 CCC1=C(I)C=C(C(=O)O)C=C1 I11380 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 O10956 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.48 COC1=C(F)C=C([C@H](C)O)C=C1 96594 [0,2,0,0,0,0|1,0,1]=4 414 B12R1.48 COC1=CN=C(C(=O)O)C=C1O 96427 [0,2,0,0,0,0|1,0,0]=3 415 B12R1.48 N#CC1=C(I)C=C(C(=O)O)C=C1 AB6921 [0,2,0,0,0,0|1,0,0]=3 416 B12R1.113 C=CCC1=CC=C(C(N)=O)C=C1 AC2805 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.113 CCOC1=CC=C([C@@H](N)O)C=C1 E72788 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.113 NOCC1=CC=C(C(=O)O)C=C1 AT14532 [0,2,0,0,0,0|0,0,0]=2 419 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 O10282 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50524 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.256 C[S@](=O)C1=CC=C(C(=O)O)C=C1 AT22899 [0,2,0,0,0,0|0,0,1]=3 422 B12R1.256 NC(=O)C1=NC=C(C(=O)O)C=C1 D84421 [0,2,0,0,0,0|1,0,1]=4 423 B12R1.452 CC(=O)C1=C(Cl)C=C(C#N)C=C1 52167 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.452 CC1=C(B(O)O)C=CC(CO)=C1 D71505 [0,2,0,0,0,0|1,0,1]=4 425 B12R1.452 COC1=CC(F)=C(C(=O)O)C=N1 N17087 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 F15890 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.452 COC1=NC(C)=C(C(=O)O)C=N1 AT18400 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.452 COC1=NC(N)=C(C(=O)O)C=C1 Y10543 [0,2,0,0,0,0|1,0,0]=3 429 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=N1 AC9655 [0,2,0,0,0,0|2,0,0]=4 430 B12R1.452 N#CC1=CC(F)=C(C(=O)Cl)C=C1 58517 [0,2,0,0,0,0|2,0,0]=4 431 B12R1.452 O=C(O)C1=C(F)C=C(CBr)C=C1 D95479 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.452 O=CC1=CC(Br)=C(C(=O)O)C=C1 R10022 [0,2,0,0,0,0|0,0,1]=3 433 B12R1.452 O=[N+]([O-])C1=C(Cl)C=C(CO)C=C1 A50673 [0,2,0,0,0,0|1,0,1]=4 434 B12R1.23 NC1=C(Cl)C=C(S(=O)(=O)O)C=C1 F15573 [0,2,0,0,0,0|2,0,0]=4 435 B12R1.126 CS(=O)(=O)C1=C(F)C=C(O)C=C1 94986 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.56 CC(=O)C1=CC(CBr)=C(Br)C=C1 N16965 [0,2,0,0,0,0|2,0,0]=4 437 B12R1.56 CC(=O)C1=CC(CCl)=C(Br)C=C1 F16009 [0,2,0,0,0,0|2,0,0]=4 438 B12R1.56 CC(=O)C1=CC(CO)=C(Br)C=C1 AT15931 [0,2,0,0,0,0|2,0,0]=4 439 B12R1.56 CC1=C(C=O)C=C(C(=O)O)C=C1 CL9386 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.56 CC1=C(NN)C=C(C(=O)O)C=C1 H10079 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.56 CCC1=C(O)C=CC(B(O)O)=C1 N11749 [0,2,0,0,0,0|1,0,1]=4 442 B12R1.56 CCN1C=C(C(=O)O)C=CC1=O AT13776 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.56 COC1=CC(C(=O)O)=CN=C1Br AT21522 [0,2,0,0,0,0|2,0,0]=4 444 B12R1.56 COC1=CC(C(=O)O)=CN=C1F 91701 [0,2,0,0,0,0|2,0,0]=4 445 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)Cl)=C1 O11211 [0,2,0,0,0,0|2,0,0]=4 446 B12R1.232 CC(=O)C1=CC(Cl)=C(Br)C=C1F AT21947 [0,2,0,0,0,0|2,0,0]=4 447 B12R1.232 CC(=O)C1=CC(Cl)=C(F)C=C1O P18161 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.232 CC(=O)C1=CC(Cl)=C(O)C=C1O AT18320 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.232 CC(=O)C1=CC(F)=C(Br)C=C1F 34098 [0,2,0,0,0,0|2,0,0]=4 450 B12R1.232 CC(=O)C1=CC(F)=C(O)C=C1O AT18317 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.232 CC1=C(Br)C=C(N)C(C(=O)O)=C1 AT14637 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.232 CC1=C(F)C=C(C(=O)O)C(Cl)=N1 92225 [0,2,0,0,0,0|2,0,0]=4 453 B12R1.232 CC1=C(F)C=C(N)C(C(=O)O)=C1 Y11640 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1Br E10199 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1N 97574 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1N 53489 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.232 CC1=CC(Cl)=C(Br)C=C1C(=O)O W19669 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.232 CC1=CC(Cl)=C(C(=O)O)C=C1O O10736 [0,2,0,0,0,0|1,0,0]=3 459 B12R1.232 CC1=CC(Cl)=C(I)C=C1C(=O)O AT12520 [0,2,0,0,0,0|1,0,0]=3 460 B12R1.232 CN1C=C(Br)C(C(=O)O)=CC1=O D73951 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.232 NC(=O)C1=CC(Cl)=C(O)N=C1O 95015 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.232 NC(=O)C1=CC(F)=C(Cl)C=C1F E72180 [0,2,0,0,0,0|2,0,0]=4 463 B12R1.232 NC(=O)C1=CC(F)=C(F)C=C1F C78638 [0,2,0,0,0,0|2,0,0]=4 464 B12R1.232 NC1=C(Cl)C=C(C(=O)O)C(O)=C1 AC5568 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.232 NC1=C(F)C=C(C(=O)O)C(Cl)=N1 W11426 [0,2,0,0,0,0|2,0,0]=4 466 B12R1.232 NC1=CC(F)=C(O)C=C1C(=O)O 83942 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.232 O=C(O)C1=C(I)C=C(Br)C(Cl)=C1 70146 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.232 O=C(O)C1=CC(Br)=C(Br)C=C1Br 70145 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl F53436 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1O AT11228 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1O AT11227 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.232 O=[N+]([O-])C1=C(Cl)C=C(O)C(F)=C1 W17730 [0,2,0,0,0,0|1,0,1]=4 473 B12R1.232 OB(O)C1=CC(F)=C(O)C=C1F D71675 [0,2,0,0,0,0|1,0,1]=4 474 B12R1.367 CC1=C(C)C=C(\C(N)=N\O)C=C1 W10715 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.367 CC1=C(F)C=CC(C(=O)CO)=C1 AC3993 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.367 CCC(=O)C1=CC(Br)=C(Cl)C=C1 N12212 [0,2,0,0,0,0|2,0,0]=4 477 B12R1.367 CCC(=O)C1=CC(Cl)=C(Br)C=C1 97339 [0,2,0,0,0,0|2,0,0]=4 478 B12R1.367 CCC(=O)C1=CC(Cl)=C(C)C=C1 N14084 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.367 CCC(=O)C1=CC(F)=C(Br)C=C1 N14051 [0,2,0,0,0,0|2,0,0]=4 480 B12R1.367 CCC(=O)C1=CC(F)=C(Cl)C=C1 N14046 [0,2,0,0,0,0|2,0,0]=4 481 B12R1.367 COC(=O)C1=CC(Cl)=C(O)N=C1 AT11135 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=N1 D74352 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.367 COC(=O)C1=CC=C(O)C(I)=N1 96802 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.367 COC(=O)C1=CN=C(I)C(Br)=C1 89892 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.367 COC(=O)C1=CN=C(O)C(N)=C1 F30140 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.367 COC(=O)C1=NC(C)=C(O)C=C1 E72133 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 90208 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 38815 [0,2,0,0,0,0|2,0,0]=4 489 B12R1.367 NCC(=O)C1=CC(F)=C(F)C=C1 D76781 [0,2,0,0,0,0|2,0,0]=4 490 B12R1.367 NCC(=O)C1=CC(O)=C(O)C=C1 A10825 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 D97793 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.367 N\C(=N\O)C1=CC(Cl)=C(Cl)C=C1 92967 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.367 N\C(=N\O)C1=CC(Cl)=C(F)C=C1 92968 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Br)C=C1 C76866 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.367 O=C(CBr)C1=CC(F)=C(Br)C=C1 80085 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.367 O=C(CO)C1=CC(Br)=C(F)C=C1 AC4430 [0,2,0,0,0,0|1,0,0]=3 497 B12R1.367 O=C(CO)C1=CC(Cl)=C(Cl)C=C1 AC2976 [0,2,0,0,0,0|1,0,0]=3 498 B12R1.367 O=C(CO)C1=CC(Cl)=C(F)C=C1 AC4023 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.367 O=C(CO)C1=CC(F)=C(F)C=C1 AC5616 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.893 CC(=O)C1=C(C)C(C)=C(O)C=C1 95925 [0,2,0,0,0,0|1,0,0]=3 501 B12R1.893 CC(=O)C1=C(Cl)C(C)=C(F)C=C1 AT15825 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.893 CC1=C(Br)C(C)=C(C(=O)O)C=N1 AC9442 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.893 CC1=C(C(=O)O)C=CC(Br)=C1F AT11325 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.893 CC1=C(C)C(C)=C(C(=O)O)C=N1 F53832 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.893 CC1=C([N+](=O)[O-])C=CC(O)=C1Br AT25585 [0,2,0,0,0,0|1,0,1]=4 506 B12R1.893 CC1=CC=C(C(=O)O)C(C)=C1Cl D86545 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1F 97753 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.893 CC1=NC=C(C(=O)O)C(I)=C1Br F18390 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1F 53899 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.893 NC1=C(F)C(O)=CC=C1[N+](=O)[O-] AT11815 [0,2,0,0,0,0|1,0,1]=4 511 B12R1.893 O=C(O)C1=C(F)C(O)=C(Br)C=C1 AT11234 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.893 O=C(O)C1=CC=C(Cl)C(Cl)=C1F D86538 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Br 93548 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.893 O=C(O)C1=CC=C(F)C(O)=C1Br AT11238 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.893 O=C(O)C1=CN=C(Cl)C(Cl)=C1Cl 85642 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.893 O=C([O-])C1=CC=C(F)C(F)=C1F CK2200 [0,2,0,0,0,0|1,0,1]=4 517 B12R1.893 O=[N+]([O-])C1=CC=C(O)C(F)=C1F Y10247 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.1005 CC(=O)C1=CC(F)=C(N)C(F)=C1 34090 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.1005 CC(=O)C1=CC(F)=C(O)C(F)=C1 C14594 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.1005 CC1=C(Br)C=C(C(N)=O)C=C1Br C11814 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.1005 CC1=C(Br)C=C(C(N)=O)C=C1Cl AC2881 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O 26358 [0,2,0,0,0,0|1,0,0]=3 523 B12R1.1005 CC1=CC(C(=O)O)=CC(=O)N1C AT13834 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.1005 NC1=CC(C(=O)O)=CC(Br)=C1O C16515 [0,2,0,0,0,0|0,0,0]=2 525 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(Br)=C1 AC6078 [0,2,0,0,0,0|1,0,0]=3 526 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(F)=C1 AT11229 [0,2,0,0,0,0|0,0,0]=2 527 B12R1.1005 O=C(O)C1=CC(I)=C(F)C(Br)=C1 AT21199 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.1005 O=[N+]([O-])C1=CC(Br)=C(O)C(Cl)=C1 I11755 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.12 CCC(=C=O)C1=CC=C(C)C=C1 F50686 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 91791 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 FD6033 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.1703 CC1=CC(C)=C(\C(N)=N\O)C=C1 92953 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.1703 CC1=CC(Cl)=C(\C(N)=N\O)C=C1 92955 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.1703 CC1=CC(F)=C(\C(N)=N\O)C=C1 92956 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.1703 CCC(=O)C1=C(Br)C=C(Br)C=C1 N14094 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 N12084 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.1703 CCC(=O)C1=C(C)C=C(O)C=C1 91379 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Br)C=C1 98264 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.1703 CCC(=O)C1=C(Cl)C=C(C)C=C1 N14082 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.1703 CCC(=O)C1=C(F)C=C(C)C=C1 N14029 [0,2,0,0,0,0|2,0,0]=4 541 B12R1.1703 CCC(=O)C1=C(O)C=C(Cl)C=C1 98266 [0,2,0,0,0,0|2,0,0]=4 542 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 92895 [0,2,0,0,0,0|2,0,0]=4 543 B12R1.1703 COC(=O)C1=C(C)OC(=O)C=C1 C16199 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 D74278 [0,2,0,0,0,0|2,0,0]=4 545 B12R1.1703 COC(=O)C1=C(S)C=C(Cl)C=C1 AT20785 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Br F17566 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.1703 C\C(=N/O)C1=C([Pd+])C=C(O)C=C1 T70903 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.1703 N\C(=N/O)C1=C(F)C=C(F)C=C1 76849 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.1703 O=C(CBr)C1=C(Br)C=C(Cl)C=C1 96292 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.1703 O=C(CCl)C1=C(O)C=C(F)C=C1 AC4164 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.1703 O=C(CO)C1=C(Cl)C=C(Br)C=C1 AC4519 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.1703 O=C(CO)C1=C(F)C=C(Br)C=C1 AC4523 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.1703 O=C(CO)C1=C(F)C=C(F)C=C1 AC4317 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.1703 O=C(NO)C1=C(Br)C=C(Cl)C=C1 96293 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 75347 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.57 CC(=O)C1=C(C#N)C=C(F)C=C1 F13350 [0,2,0,0,0,0|2,0,0]=4 557 B12R1.57 CCC1=C(C(C)=O)C=CC(O)=C1 D88175 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.57 CNC1=C(C(=O)O)C=CC(Br)=C1 D87579 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.57 CNC1=C(C(=O)O)C=CC(Cl)=C1 C15968 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.57 CNC1=C(C(=O)O)C=CC(F)=C1 S11455 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.57 CNC1=CC(Cl)=NC=C1C(=O)O AT15547 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 AT19378 [0,2,0,0,0,0|0,0,0]=2 563 B12R1.57 COC1=C(C(C)=O)C=CC(O)=C1 W17789 [0,2,0,0,0,0|1,0,0]=3 564 B12R1.57 COC1=C(C(N)=O)C=CC(N)=C1 92906 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.57 CSC1=C(C(=O)O)C=CC(Br)=C1 AT10168 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.1000 CC(=O)C1=C(Br)C=C(Br)C=C1O 93704 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.1000 CC(=O)C1=C(Br)C=C(F)C=C1Br 94049 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.1000 CC(=O)C1=C(Cl)C=C(Br)C=C1F 88210 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.1000 CC(=O)C1=C(F)C=C(I)C=C1F 93672 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.1000 CC(=O)C1=C(F)C=C(O)C=C1F AC4047 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.1000 CC1=CC(C)=C(C(=O)[O-])C(C)=C1 D89560 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 93339 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=N1 C75632 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.1000 CC1=CC(Cl)=CC(I)=C1C(=O)O 55380 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.1000 CC1=CC(F)=CC(F)=C1C(=O)O 97410 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.1000 CC1=CC(F)=CC(I)=C1C(=O)O 55384 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(=O)N1 D75290 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 95585 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.1000 CC1=NC(O)=CC(O)=C1C(=O)O F20291 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.1000 NC(=O)C1=C(Br)C=C(Br)C=C1F F17851 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.1000 NC(=O)C1=C(F)C=C(N)C=C1F 92903 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.1000 NC(=O)C1=C(F)C=C(N)C=C1F 92904 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.1000 NC1=C(C(=O)O)C(Cl)=NC(Cl)=C1 E71761 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.1000 NC1=CC(Cl)=C(C(=O)O)C(Cl)=C1 51298 [0,2,0,0,0,0|1,0,0]=3 585 B12R1.1000 NC1=CC(F)=CC(Cl)=C1C(=O)O E72075 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1F F18335 [0,2,0,0,0,0|1,0,0]=3 587 B12R1.1000 O=C(O)C1=C(Br)C=C(Cl)C=C1F AT10675 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.1000 O=C(O)C1=C(Br)C=C(F)C=C1Cl AT10674 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.1000 O=C(O)C1=C(Cl)C=C(I)C=C1Cl CS2697 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.1000 O=C(O)C1=C(F)C=C(I)C=C1F 93673 [0,2,0,0,0,0|1,0,0]=3 591 B12R2.606 CC1=CC2=C(C=C1)N=C(C)O2 AC6304 [0,0,0,1,0,1|2,0,0]=4 592 B12R2.606 CC1=CC2=C(C=C1)NC(=O)O2 AC5672 [0,0,0,1,0,1|1,0,0]=3 593 B12R2.606 CC1=CC2=C(C=C1)SC(=O)N2 O11473 [0,0,0,1,0,1|2,0,0]=4 594 B12R2.606 CC1=NC2=C(C=C(F)C=C2)O1 AC5868 [0,0,0,1,0,1|2,0,0]=4 595 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 A12583 [0,0,0,1,0,1|1,0,0]=3 596 B12R2.606 CC1=NC2=C(C=C(O)C=C2)S1 75571 [0,0,0,1,0,1|1,1,0]=4 597 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 26691 [0,0,0,1,0,1|2,0,0]=4 598 B12R2.606 O=C1CC2=C(N=CC(O)=C2)N1 P18372 [0,0,0,1,0,1|2,0,0]=4 599 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 C14119 [0,0,0,1,0,1|2,0,0]=4 600 B12R2.606 O=C1OC2=C(C=C(O)C=C2)S1 D77666 [0,0,0,1,0,1|0,1,0]=3 601 B12R2.606 OC1=CC2=C(C=C1)C[C@H](O)C2 F53501 [0,0,0,1,0,1|1,0,1]=4 602 B12R2.612 CC1=CC2=C(C=C1)C(=O)NC2 F21430 [0,1,0,1,0,0|2,0,0]=4 603 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 V10221 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.612 O=C1CCC2=C1C=CC(S)=C2 79915 [0,1,0,1,0,0|1,1,0]=4 605 B12R2.612 O=C1N=CC2=C1C=CC(F)=C2 W17708 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.612 O=C1ONC2=C1C=CC(Br)=C2 D78660 [0,1,0,1,0,0|1,0,0]=3 607 B12R2.612 OC1=NNC2=C1C=CC(Cl)=C2 S10302 [0,1,0,1,0,0|2,0,0]=4 608 B12R2.612 OC1=NSC2=C1C=CC(Cl)=C2 F51296 [0,1,0,1,0,0|1,1,0]=4 609 B8R1.1 O=CC1=CC(Cl)=CO1 50491 [1,0,0,0,1,0|2,0,0]=4 610 B8R1.1 O=CC1=CC(Cl)=CS1 P11080 [1,0,0,0,1,0|2,0,0]=4 611 B8R1.1 O=CC1=CN=C(O)S1 AT14773 [1,0,0,0,1,0|2,0,0]=4 612 B8R1.1 O=CC1=COC(Br)=C1 AT17110 [1,0,0,0,1,0|2,0,0]=4 613 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [1,0,0,0,1,0|2,0,0]=4 614 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [1,0,0,0,0,1|1,0,0]=3 615 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [1,0,0,0,0,1|1,0,1]=4 616 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [1,0,0,0,0,1|1,0,1]=4 617 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [1,0,0,0,0,1|2,0,0]=4 618 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [1,0,0,0,0,1|1,0,1]=4 619 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [1,0,0,0,0,1|2,0,0]=4 620 B12R1.21 CC(=O)CSC1=CC=C(Br)C=C1 21292 [0,0,0,0,0,2|2,0,0]=4 621 B12R1.21 CC1=CC=C(C#CC(=O)O)C=C1 D77831 [0,0,0,0,0,2|1,0,0]=3 622 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 H11524 [0,0,0,0,0,2|2,0,0]=4 623 B12R1.21 NC(=O)COC1=CC=C(Br)C=C1 88302 [0,0,0,0,0,2|2,0,0]=4 624 B12R1.21 NC1=NC=C(CCC(=O)O)C=C1 O10876 [0,0,0,0,0,2|2,0,0]=4 625 B12R1.21 O=C(O)C#CC1=CC=C(Br)C=C1 T70657 [0,0,0,0,0,2|1,0,0]=3 626 B12R1.21 O=C(O)CSC1=CC=C(O)C=C1 AT20930 [0,0,0,0,0,2|0,0,0]=2