0 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,0,0|1,0,1]=2 8 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 N=C(N)C1=NC=CC=N1 D74674 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.2 BrCC1=CN=CN=C1 O11299 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.2 BrCC1=NC=CN=C1 31757 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.2 BrCC1=NN=CC=C1 27114 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.2 C#CC1=CN=CN=C1 25642 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.2 C#CC1=NC=CN=C1 P11646 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.2 CNC1=CN=CN=C1 Y10181 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 CNC1=CN=NC=C1 A10648 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 ClCC1=NC=CN=C1 37060 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.2 ClCC1=NN=CC=C1 37063 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 N#CC1=CN=NC=C1 37055 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.2 N#CC1=NN=CC=C1 82702 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.2 NCC1=CC=CN=N1 36976 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 NCC1=CC=CN=N1 AT13034 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 NCC1=CC=CN=N1 P15536 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.2 NCC1=CC=NC=C1 35876 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 NCC1=CN=CN=C1 26963 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.2 NCC1=CN=NC=C1 27223 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 NCC1=CN=NC=C1 36975 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 NCC1=NC=CN=C1 67569 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.2 NNC1=CC=CN=C1 S12141 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.2 NNC1=CN=CN=C1 AT18412 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 O=CC1=NC=NC=C1 26359 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 OCC1=CN=NC=C1 37054 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.2 SCC1=CN=CC=C1 F18343 [1,0,0,0,0,0|0,1,1]=3 51 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,1,0,0,0,0|1,0,1]=3 69 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,1,0,0,0,0|1,0,1]=3 84 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,1,0,0,0,0|1,0,2]=4 87 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 D80116 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 37719 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.13 N=C(N)C1=NC=C(F)C=C1 38084 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,1,0,0,0,0|0,0,0]=1 93 B10R1.13 NC(=O)C1=CN=C(O)N=C1 F13438 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 NC(=O)C1=NC=C(N)C=N1 30495 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,1,0,0,0,0|1,0,0]=2 97 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 O=[N+]([O-])C1=CN=C(I)C=C1 T72219 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,0,0,0|1,0,1]=3 114 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.15 NNC(=O)C1=CN=CN=C1 F18165 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,1,0,0,0,0|1,1,0]=3 120 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,1,0,0,0,0|0,0,2]=3 121 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,1,0,0,0,0|0,0,2]=3 122 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [0,1,0,0,0,0|1,0,1]=3 128 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,1,0,0,0,0|0,0,0]=1 152 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C76767 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,1,0,0,0,0|1,0,2]=4 173 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.61 N=C(N)C1=C(F)C=CC=N1 90259 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.61 NC(=O)C1=C(O)N=CN=C1 Y11131 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.61 NC(=O)C1=CC=NNC1=O AC1803 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.61 NC1=C(B(O)O)C=CC=N1 RB2059 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.61 NC1=C(C(F)F)C=CC=N1 C76895 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 I10226 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 O=[N+]([O-])C1=C(O)N=CN=C1 O11483 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 FD10058 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,1,0,0,0,0|1,0,1]=3 203 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [0,1,0,0,0,0|1,0,1]=3 219 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [0,1,0,0,0,0|1,0,1]=3 220 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [0,1,0,0,0,0|1,0,1]=3 222 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [0,1,0,0,0,0|1,0,1]=3 223 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [0,1,0,0,0,0|1,0,1]=3 224 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [0,1,0,0,0,0|1,0,1]=3 225 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [0,1,0,0,0,0|1,0,1]=3 226 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [0,1,0,0,0,0|1,0,1]=3 227 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,1,0,0,0,0|1,0,1]=3 245 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,1,0,0,0,0|0,0,0]=1 249 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,1,0,0,0,0|3,0,0]=4 253 B10R1.113 NC(=S)C1=CN=CC(F)=C1 W11938 [0,1,0,0,0,0|0,1,0]=2 254 B10R1.113 NC1=CC(B(O)O)=CN=C1 69521 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,1,0,0,0,0|3,0,0]=4 260 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,1,0,0,0,0|3,0,0]=4 263 B10R1.113 O=[N+]([O-])C1=CN=CC(O)=C1 26591 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.113 OB(O)C1=CC(O)=CN=C1 FD10099 [0,1,0,0,0,0|2,0,1]=4 265 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,1,0|2,0,0]=3 267 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,1,0|2,0,0]=3 268 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,1,0|2,0,0]=3 269 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,1,0|2,0,0]=3 270 B8R1.7 CC(=O)C1=CN=NS1 66662 [0,0,0,0,1,0|3,0,0]=4 271 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,0,0,0,1,0|2,0,0]=3 272 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,1,0|2,0,0]=3 273 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,1,0|2,0,0]=3 274 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,1,0|2,0,1]=4 275 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,1,0|2,0,1]=4 276 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,0,0,0,1,0|2,0,1]=4 277 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,0,0,0,1,0|2,0,1]=4 278 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,0,0,0,1,0|2,0,1]=4 279 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,0,0,0,1,0|2,0,1]=4 280 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,0,0,0,1,0|2,0,1]=4 281 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,0,0,0,1,0|2,0,1]=4 282 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,0,0,0,1,0|2,0,1]=4 283 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [0,0,0,0,1,0|2,0,1]=4 284 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,0,0,0,1,0|2,0,1]=4 285 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,0,0,0,1,0|2,0,1]=4 286 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,0,0,0,1,0|2,0,1]=4 287 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,0,0,0,1,0|2,0,1]=4 288 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,0,0,0,1,0|2,0,1]=4 289 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,0,0,0,1,0|2,0,1]=4 290 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,0,0,0,1,0|2,0,1]=4 291 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,0,0,0,1,0|2,0,1]=4 292 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,0,0,0,1,0|2,0,1]=4 293 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,0,0,0,1,0|2,0,0]=3 294 B8R1.7 N=C(N)C1=NC=CN1 P15305 [0,0,0,0,1,0|2,0,0]=3 295 B8R1.7 N=C(N)C1=NC=CN1 P19492 [0,0,0,0,1,0|2,0,0]=3 296 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,0,1,0|1,0,0]=2 297 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,0,1,0|1,0,0]=2 298 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,0,0,0,1,0|1,0,0]=2 299 B8R1.7 NC(=O)C1=COC=N1 35847 [0,0,0,0,1,0|1,0,0]=2 300 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,0,0,0,1,0|1,0,0]=2 301 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,0,0,0,1,0|1,0,0]=2 302 B8R1.7 NC(=S)C1=COC=N1 24414 [0,0,0,0,1,0|1,1,0]=3 303 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [0,0,0,0,1,0|2,0,0]=3 304 B8R1.7 O=C(O)C1=CN=NN1 28556 [0,0,0,0,1,0|3,0,0]=4 305 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,0,1,0|2,0,0]=3 306 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,0,0,0,1,0|3,0,0]=4 307 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,0,0,0,1,0|3,0,0]=4 308 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,0,1,0|2,0,0]=3 309 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,0,0,0,1,0|3,0,0]=4 310 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,0,0,0,1,0|2,0,1]=4 311 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,0,0,0,1,0|2,0,1]=4 312 B8R1.7 O=[N+]([O-])C1=CNN=C1 27362 [0,0,0,0,1,0|3,0,0]=4 313 B8R1.7 O=[N+]([O-])C1=CON=C1 27176 [0,0,0,0,1,0|3,0,0]=4 314 B8R1.7 O=[N+]([O-])C1=CSN=C1 64650 [0,0,0,0,1,0|3,0,0]=4 315 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,0,0,0,1|3,0,0]=4 316 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,1|1,0,0]=2 317 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,0,1|2,0,0]=3 318 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,0,1|2,0,0]=3 319 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,0,1|3,0,0]=4 320 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,0,0,0,0,1|1,0,0]=2 321 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,0,1|1,1,0]=3 322 B10R1.18 NC(=S)NC1=NC=CN=C1 W13133 [0,0,0,0,0,1|1,1,0]=3 323 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,0,0,0,0,1|2,0,0]=3 324 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [0,0,0,0,0,1|2,0,0]=3 325 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|1,0,1]=4 326 B7R1.3 BrC1=CN=NC=C1 85151 [2,0,0,0,0,0|2,0,0]=4 327 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|1,0,0]=3 328 B7R1.3 ClC1=NN=CC=C1 57588 [2,0,0,0,0,0|2,0,0]=4 329 B7R1.3 NC1=CC=CC=C1 T70935 [2,0,0,0,0,0|1,0,0]=3 330 B7R1.3 NC1=CC=CC=C1 T71037 [2,0,0,0,0,0|1,0,0]=3 331 B7R1.3 O=C1C=CNN=C1 D87946 [2,0,0,0,0,0|1,0,0]=3 332 B7R1.3 SC1=NC=CN=C1 F16108 [2,0,0,0,0,0|1,1,0]=4 333 B9R1.1 C#CC1=CN=C(Br)C=C1 68603 [1,1,0,0,0,0|1,0,1]=4 334 B9R1.1 C#CC1=CN=C(Cl)C=C1 83979 [1,1,0,0,0,0|1,0,1]=4 335 B9R1.1 C#CC1=CN=C(O)C=C1 O11429 [1,1,0,0,0,0|1,0,1]=4 336 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [1,1,0,0,0,0|1,0,1]=4 338 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,1,0,0,0,0|1,0,1]=4 340 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,1,0,0,0,0|0,0,1]=3 342 B9R1.1 CC1=NC=C(CN)C=N1 81411 [1,1,0,0,0,0|1,0,1]=4 343 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,1,0,0,0,0|1,0,1]=4 344 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,1,0,0,0,0|1,0,1]=4 345 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,1,0,0,0,0|1,0,1]=4 346 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,1,0,0,0,0|1,0,1]=4 351 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [1,1,0,0,0,0|1,0,1]=4 355 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,1,0,0,0,0|0,0,1]=3 356 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [1,1,0,0,0,0|1,0,1]=4 357 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [1,1,0,0,0,0|1,0,1]=4 358 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,1,0,0,0,0|0,0,1]=3 359 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,1,0,0,0,0|0,0,1]=3 360 B9R1.1 NCC1=CN=C(N)N=C1 82158 [1,1,0,0,0,0|1,0,1]=4 361 B9R1.1 NCC1=NN=C(Cl)C=C1 C76852 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.1 NNC1=CN=C(Cl)C=C1 H10944 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 NNC1=CN=C(F)C=C1 73802 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.1 N\N=C1\C=CC(Br)=NN1 A10641 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.2 C#CC1=CC(Br)=CN=C1 50294 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.2 C#CC1=CC(Cl)=CN=C1 C77589 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.2 CC1=CC(C#N)=CN=C1 71242 [1,1,0,0,0,0|0,0,2]=4 376 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.2 CC1=CN=CC(CN)=C1 72799 [1,1,0,0,0,0|0,0,1]=3 378 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.2 N#CC1=CC(F)=CN=C1 82241 [1,1,0,0,0,0|0,0,2]=4 380 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,1,0,0,0,0|0,0,2]=4 381 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [1,1,0,0,0,0|0,0,1]=3 384 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [1,1,0,0,0,0|0,0,1]=3 385 B9R1.2 NCC1=CC=C[N+]([O-])=C1 W12624 [1,1,0,0,0,0|0,0,2]=4 386 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [1,1,0,0,0,0|0,0,1]=3 390 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,1,0,0,0,0|0,0,2]=4 392 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,1,0,0,0,0|1,0,1]=4 393 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,1,0,0,0,0|1,0,1]=4 394 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.8 NNCC1=CC=CN=C1 78930 [1,1,0,0,0,0|0,0,1]=3 396 B9R1.8 NNCC1=CN=CN=C1 37093 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.8 NNCC1=NC=CN=C1 37235 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,1,0,0,0,0|0,0,1]=3 399 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.15 C#CC1=C(N)C=CN=C1 C71943 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.15 C#CC1=CC=CN=C1F C77200 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.15 C#CC1=CC=CN=C1O CS1686 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.15 C=CC1=CC=CN=C1Br 83953 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.15 C=CC1=CC=CN=C1C P11579 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.15 CC1=C(C#N)C=CC=N1 AB2931 [1,1,0,0,0,0|0,0,2]=4 408 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,1,0,0,0,0|1,0,1]=4 410 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,1,0,0,0,0|1,0,1]=4 411 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,1,0,0,0,0|0,0,2]=4 413 B9R1.15 CC1=NC=CC=C1CN 72802 [1,1,0,0,0,0|0,0,1]=3 414 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,1,0,0,0,0|0,0,1]=3 415 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.15 CC1=NC=CN=C1CN E70300 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.15 CC1=NC=CN=C1CN P19746 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.15 CCC1=CC=CN=C1N 55791 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.15 CNC1=CC=CN=C1N 94808 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [1,1,0,0,0,0|1,0,1]=4 431 B9R1.15 N#CC1=C(Br)C=CN=C1 55794 [1,1,0,0,0,0|0,0,2]=4 432 B9R1.15 NC1=C(C=O)C=NC=N1 66183 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.15 NC1=C(CO)C=NC=C1 28348 [1,1,0,0,0,0|0,0,2]=4 434 B9R1.15 NC1=CC=CN=C1C=O 80155 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [1,1,0,0,0,0|0,0,1]=3 437 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [1,1,0,0,0,0|0,0,1]=3 438 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.15 NCC1=CC=CN=C1Br D82416 [1,1,0,0,0,0|0,0,1]=3 440 B9R1.15 NCC1=CC=CN=C1Cl 51113 [1,1,0,0,0,0|0,0,1]=3 441 B9R1.15 NCC1=CC=CN=C1N 89358 [1,1,0,0,0,0|0,0,1]=3 442 B9R1.15 NCC1=CC=CN=C1O 55767 [1,1,0,0,0,0|0,0,1]=3 443 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [1,1,0,0,0,0|0,0,0]=2 446 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,1,0,0,0,0|0,0,0]=2 448 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [1,1,0,0,0,0|0,0,2]=4 452 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [1,1,0,0,0,0|0,0,2]=4 453 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,1,0,0,1,0|2,0,0]=4 454 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,1,0,0,1,0|2,0,0]=4 455 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,1,0,0,1,0|2,0,0]=4 456 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,1,0,0,1,0|1,0,0]=3 457 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,1,0,0,1,0|2,0,0]=4 458 B9R1.11 COC(=O)C1=COC=N1 22956 [0,1,0,0,1,0|2,0,0]=4 459 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,1,0,0,1,0|2,0,0]=4 460 B9R1.11 NNC(=O)C1=CN=CO1 D79940 [0,1,0,0,1,0|1,0,0]=3 461 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [0,1,0,0,1,0|1,0,0]=3 462 B9R1.11 NNC(=O)C1=NC=CS1 78397 [0,1,0,0,1,0|1,0,0]=3 463 B9R1.11 N\C(=N/O)C1=CSC=C1 71291 [0,1,0,0,1,0|1,0,1]=4 464 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,0,1,0|2,0,0]=4 465 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,0,1,0|2,0,0]=4 466 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,1,0,0,1,0|2,0,0]=4 467 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,1,0,0,1,0|2,0,0]=4 468 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,1,0|1,0,1]=4 469 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,1,0,0,1,0|2,0,0]=4 470 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,1,0,0,1,0|2,0,0]=4 471 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,1,0,0,1,0|2,0,0]=4 474 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,1,0,0,1,0|2,0,0]=4 475 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,1,0|2,0,0]=4 476 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,1,0,0,1,0|2,0,0]=4 477 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,1,0|2,0,0]=4 478 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,1,0,0,1,0|2,0,0]=4 479 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,0,1,0|2,0,0]=4 480 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,1,0,0,1,0|2,0,0]=4 481 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,1,0,0,1,0|2,0,0]=4 482 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,1,0,0,1,0|2,0,0]=4 483 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,0,1,0|2,0,0]=4 484 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,1,0,0,1,0|2,0,0]=4 485 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,0,1,0|2,0,0]=4 486 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,0,1,0|2,0,0]=4 487 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,0,1,0|2,0,0]=4 488 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,1,0,0,1,0|1,0,0]=3 489 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,1,0,0,1,0|1,0,0]=3 490 B9R1.35 CC1=NC(C(N)=S)=CS1 58591 [0,1,0,0,1,0|1,1,0]=4 491 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,0,1,0|2,0,0]=4 492 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,0,1,0|1,0,1]=4 493 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,1,0,0,1,0|1,0,0]=3 494 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,1,0,0,1,0|0,0,1]=3 495 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,1,0,0,1,0|1,0,0]=3 496 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,1,0,0,1,0|0,0,1]=3 497 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,1,0,0,1,0|1,0,0]=3 498 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,1,0,0,1,0|1,0,0]=3 499 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,1,0,0,1,0|1,0,0]=3 500 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,1,0,0,1,0|1,0,0]=3 501 B9R1.35 NC(=O)C1=NN=C(Cl)S1 72503 [0,1,0,0,1,0|2,0,0]=4 502 B9R1.35 NC(=O)C1=NNC(N)=N1 C13657 [0,1,0,0,1,0|2,0,0]=4 503 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,1,0,0,1,0|1,0,1]=4 504 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,1,0,0,1,0|2,0,0]=4 505 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,1,0,0,1,0|2,0,0]=4 506 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,1,0,0,1,0|2,0,0]=4 507 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,1,0,0,1,0|2,0,0]=4 508 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,1,0,0,1,0|2,0,0]=4 509 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,1,0,0,1,0|2,0,0]=4 510 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,1,0,0,1,0|2,0,0]=4 511 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,1,0,0,1,0|2,0,0]=4 512 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,1,0,0,1,0|1,0,1]=4 513 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,0,1,0|2,0,0]=4 514 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,0,1,0|2,0,0]=4 515 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,1,0,0,1,0|1,0,1]=4 516 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,1,0,0,1,0|2,0,0]=4 517 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,1,0,0,1,0|2,0,0]=4 518 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,1,0,0,1,0|2,0,0]=4 519 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,1,0,0,1,0|2,0,0]=4 520 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,1,0,0,1,0|2,0,0]=4 521 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,1,0,0,1,0|2,0,0]=4 522 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,1,0,0,1,0|2,0,0]=4 523 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,1,0,0,1,0|2,0,0]=4 524 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,1,0,0,1,0|2,0,0]=4 525 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,0,1,0|2,0,0]=4 526 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,0,1,0|1,0,1]=4 527 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,0,1,0|2,0,0]=4 528 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,0,1,0|1,0,1]=4 529 B9R1.41 CN1C=CN=C1C(=N)N 38078 [0,1,0,0,1,0|2,0,0]=4 530 B9R1.41 CN1C=NC=C1C(=O)Cl 64255 [0,1,0,0,1,0|2,0,0]=4 531 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,1,0,0,1,0|2,0,0]=4 532 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,1,0,0,1,0|1,0,0]=3 533 B9R1.41 NC(=O)C1=C(N)C=NN1 54585 [0,1,0,0,1,0|1,0,0]=3 534 B9R1.41 NC(=O)C1=C(N)NC=N1 C13072 [0,1,0,0,1,0|1,0,0]=3 535 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [0,1,0,0,1,0|1,0,0]=3 536 B9R1.41 NC(=O)C1=C(N)SN=C1 80982 [0,1,0,0,1,0|1,0,0]=3 537 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,1,0,0,1,0|0,0,1]=3 538 B9R1.41 NC(=O)C1=CN=CN1N P18323 [0,1,0,0,1,0|1,0,0]=3 539 B9R1.41 NC(=O)C1=CNN=C1N S11494 [0,1,0,0,1,0|1,0,0]=3 540 B9R1.41 NC(=O)C1=NNC=C1Br 25218 [0,1,0,0,1,0|1,0,0]=3 541 B9R1.41 NC(=O)C1=NSN=C1N C76987 [0,1,0,0,1,0|2,0,0]=4 542 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,1,0,0,1,0|1,0,1]=4 543 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,1,0,0,1,0|2,0,0]=4 544 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,1,0,0,1,0|2,0,0]=4 545 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,1,0,0,1,0|2,0,0]=4 546 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [0,1,0,0,1,0|2,0,0]=4 547 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,1,0,0,1,0|2,0,0]=4 548 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,1,0,0,1,0|2,0,0]=4 549 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,1,0,0,1,0|2,0,0]=4 550 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,1,0,0,1,0|1,0,1]=4 551 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,1,0,0,1,0|2,0,0]=4 552 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,1,0,0,1,0|2,0,0]=4 553 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,1,0,0,1,0|2,0,0]=4 554 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,1,0,0,1,0|2,0,0]=4 555 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 F52718 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,1,0,0,0,1|0,0,0]=2 561 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,1,0,0,0,1|1,0,0]=3 568 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,1,0,0,0,1|0,0,0]=2 570 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,1|1,0,0]=3 573 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,1|1,0,1]=4 578 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,1,0,0,0,1|1,0,0]=3 582 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,1,0,0,0,1|1,0,0]=3 583 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.86 O=C(O)CN1C=CC=NC1=O W12296 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl P15537 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,1,0,0,0,1|1,0,0]=3 589 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,1,0,0,0,1|1,0,0]=3 590 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.509 NS(=O)(=O)CC1=CN=CC=C1 F53446 [0,1,0,0,0,1|1,0,0]=3 596 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 C77133 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 69207 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 C80031 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 H10198 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 O11418 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 38471 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 F58592 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,2,0,0,0,0|1,0,0]=3 613 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.3 N\N=C1\C=CC(C(N)=O)=NN1 AC1183 [0,2,0,0,0,0|1,0,1]=4 618 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.3 O=CC1=NC=C([N+](=O)[O-])C=C1 37553 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.19 CC1=NC=C(S(=O)(=O)Cl)C=C1 P20210 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.19 CS(=O)(=O)C1=CN=C(Cl)C=C1 91182 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 I12019 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.19 O=S(=O)(Cl)C1=CN=C(Br)C=C1 Y14733 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,2,0,0,0,0|1,0,1]=4 634 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [0,2,0,0,0,0|1,0,0]=3 639 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [0,2,0,0,0,0|1,0,1]=4 641 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,2,0,0,0,0|0,0,0]=2 642 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.21 CC1=NC=C(C(N)=O)S[C@H]1C C73720 [0,2,0,0,0,0|1,0,1]=4 645 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1N 38949 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.21 CN1C=C(C(N)=O)C=CC1=O C76234 [0,2,0,0,0,0|0,0,1]=3 647 B11R1.21 CN1C=CC(C(N)=O)=CC1=O P10284 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.21 N=C(N)C1=CC(Br)=C(F)C=C1 BL001616 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.21 N=C(N)C1=CC(Cl)=C(Cl)C=C1 A12573 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 F21414 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 25512 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 P20972 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [0,2,0,0,0,0|1,0,0]=3 654 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.21 NC(=O)C1=CC=C(F)C(Br)=N1 D79819 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.21 NC(=O)C1=CN=C(Br)C(Cl)=C1 W18383 [0,2,0,0,0,0|0,0,0]=2 658 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1N C74821 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 37237 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [0,2,0,0,0,0|1,0,0]=3 668 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [0,2,0,0,0,0|1,0,1]=4 669 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)N=C1 22716 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.21 O=[N+]([O-])C1=CN=C(Br)C(Cl)=C1 22645 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,2,0,0,0,0|0,0,2]=4 675 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,2,0,0,0,0|0,0,2]=4 676 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,2,0,0,0,0|0,0,2]=4 677 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,2,0,0,0,0|1,0,0]=3 678 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,2,0,0,0,0|1,0,0]=3 679 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,2,0,0,0,0|1,0,1]=4 687 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 26252 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.22 NNC(=S)C1=CC=C(Cl)C=C1 W10978 [0,2,0,0,0,0|1,1,0]=4 689 B11R1.22 NNC(=S)C1=CC=C(F)C=C1 W10976 [0,2,0,0,0,0|1,1,0]=4 690 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 F16973 [0,2,0,0,0,0|0,0,2]=4 691 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 N11110 [0,2,0,0,0,0|0,0,2]=4 692 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 Y11040 [0,2,0,0,0,0|0,0,2]=4 693 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,2,0,0,0,0|1,0,1]=4 694 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [0,2,0,0,0,0|1,0,1]=4 695 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.166 CC(=O)C1=C(Cl)N=C(Cl)N=C1 85285 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=N1 CS1395 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.166 CC1=CN=C(C(N)=O)C(=O)N1 W17787 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.166 CC1=NC(N)=C(C(=O)O)C=N1 F52074 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,2,0,0,0,0|0,0,0]=2 716 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 C16751 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 RB3269 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.166 NC(=O)C1=C(Cl)N=C(Cl)N=C1 25740 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [0,2,0,0,0,0|1,0,0]=3 722 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.166 NC(=O)C1=C(O)N=C(O)C=C1 95017 [0,2,0,0,0,0|0,0,0]=2 726 B11R1.166 NC(=O)C1=CC=C(N)N=C1F F20207 [0,2,0,0,0,0|0,0,0]=2 727 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F D79818 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F D79885 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.166 NC(=O)C1=NC=C(Cl)N=C1Cl E10195 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.166 NC(=O)C1=NN=C(Cl)C=C1Cl P20609 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.166 NC1=C(C(=O)O)C=NC(Cl)=N1 N10067 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.166 NC1=C([N+](=O)[O-])C=NC(O)=C1 26751 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.166 NC1=CC(Br)=C([N+](=O)[O-])C=N1 P11777 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.166 NC1=CC(Br)=NC=C1[N+](=O)[O-] 75473 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.166 NC1=CC(N)=C([N+](=O)[O-])C=N1 C74342 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.166 NC1=CC=C([N+](=O)[O-])C(Cl)=N1 26655 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,2,0,0,0,0|1,0,0]=3 744 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,2,0,0,0,0|1,0,0]=3 745 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,2,0,0,0,0|1,0,0]=3 746 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.166 O=C([O-])C1=NN=C(Cl)C=C1Cl C11211 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.166 O=[N+]([O-])C1=CN=C(Br)C=C1Cl O10677 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.166 O=[N+]([O-])C1=CN=C(Cl)C=C1O 24225 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.166 O=[N+]([O-])C1=CN=C(F)C=C1F O10598 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,2,0,0,0,0|0,0,0]=2 758 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,2,0,0,0,0|1,0,0]=3 760 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,2,0,0,0,0|0,0,0]=2 761 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,2,0,0,0,0|2,0,0]=4 763 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.23 NNC(=O)C1=CC=CC(=O)N1 C77301 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 F13874 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.23 N[C@@H](CO)C1=CC(Br)=CN=C1 Y12868 [0,2,0,0,0,0|0,0,2]=4 768 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,2,0,0,0,0|1,0,1]=4 771 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,2,0,0,0,0|0,0,1]=3 772 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 W10711 [0,2,0,0,0,0|1,0,1]=4 782 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,2,0,0,0,0|1,0,0]=3 783 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.87 CS(=O)(=O)C1=C(N)N=CC=C1 W19350 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.87 CS(=O)(=O)C1=CC=CN=C1Cl 37543 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.87 O=S(=O)(Cl)C1=C(Cl)C=CN=C1 A11267 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 83830 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 C10904 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.155 CS(=O)(=O)C1=CC(Br)=CN=C1 91183 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.155 CS(=O)(=O)C1=CN=CC(N)=C1 W17114 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.155 NS(=O)(=O)C1=CC(Br)=CN=C1 S12140 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.155 NS(=O)(=O)C1=CC(O)=CC=C1 AB10153 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.155 NS(=O)(=O)C1=CC=CC(I)=C1 D85694 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.155 O=S(=O)(Cl)C1=CC(Br)=CN=C1 30199 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.155 O=S(=O)(Cl)C1=CN=CC(F)=C1 AT11613 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.53 C=C(C)C1=CC=CN=C1C#N D81130 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.53 CNC1=C([N+](=O)[O-])C=NC=C1 26154 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.53 COC1=C(C(=N)N)C=CC=C1 71596 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 O10763 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 38303 [0,2,0,0,0,0|1,0,0]=3 812 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,2,0,0,0,0|1,0,0]=3 813 B11R1.53 O=[N+]([O-])C1=C(CO)N=CC=C1 AC1084 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CBr D97360 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Br 55290 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 72214 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.156 CC(=O)C1=C(F)C=CC=C1N C76841 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.156 CC(=O)C1=C(N)C=CN=C1Cl D83525 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 H10306 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 57354 [0,2,0,0,0,0|1,0,0]=3 823 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 81867 [0,2,0,0,0,0|0,0,0]=2 824 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)Cl 30562 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.156 CC1=CC=NC(N)=C1C(=O)O H10318 [0,2,0,0,0,0|1,0,0]=3 826 B11R1.156 CC1=CN=CC(C)=C1C(N)=O AT11860 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.156 CC1=NC=CC(Br)=C1[N+](=O)[O-] F18275 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.156 CC1=NC=CC(Cl)=C1[N+](=O)[O-] 72136 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.156 CC1=NC=CC(N)=C1[N+](=O)[O-] 25975 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.156 NC(=O)C1=C(Br)C=NC=C1F 26678 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.156 NC(=O)C1=C(Cl)N=CN=C1Cl C77109 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.156 NC(=O)C1=C(I)C=CC=C1Cl 35383 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.156 NC1=C(C(=O)O)C(Br)=NC=C1 O11151 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 86987 [0,2,0,0,0,0|1,0,0]=3 835 B11R1.156 NC1=CC=CC(I)=C1C(=O)O FD13014 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.156 NC1=CC=NC(N)=C1[N+](=O)[O-] 86914 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O 36262 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.156 O=C(Cl)C1=C(Br)C=CC=C1F CK1090 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O C15718 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Br D83260 [0,2,0,0,0,0|1,0,0]=3 841 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Cl 55292 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F 79053 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.156 O=C(O)C1=C(I)C=CC=C1Br 81858 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.156 O=C(O)C1=C(O)C=CN=C1Br D94451 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.156 O=[N+]([O-])C1=C(Cl)C=CN=C1Br C72084 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.156 O=[N+]([O-])C1=C(F)C=CN=C1F F11645 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.156 O=[N+]([O-])C1=C(O)C=CN=C1Cl 80267 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,2,0,0,0,0|2,0,0]=4 850 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,2,0,0,0,0|2,0,0]=4 851 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,2,0,0,0,0|2,0,0]=4 852 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,2,0,0,0,0|2,0,0]=4 853 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,2,0,0,0,0|2,0,0]=4 854 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.159 CC1=CN=CC([N+](=O)[O-])=C1Cl D96879 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.159 CC1=CN=CC([N+](=O)[O-])=C1N 25596 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 71884 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 58503 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.159 NC(=O)C1=C(N)C(Cl)=NC=C1 C74761 [0,2,0,0,0,0|2,0,0]=4 861 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F 36237 [0,2,0,0,0,0|1,0,0]=3 862 B11R1.159 NC(=O)C1=CC=CC(Br)=C1N 26259 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.159 NC(=O)C1=CC=CC(F)=C1F A12174 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.159 NC(=O)C1=CC=CC(F)=C1N 35380 [0,2,0,0,0,0|1,0,0]=3 865 B11R1.159 NC(=O)C1=CC=CC(N)=C1F C72490 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.159 NC(=O)C1=CN=CC(Cl)=C1Cl F20288 [0,2,0,0,0,0|0,0,0]=2 867 B11R1.159 NC1=C(Cl)C=NC=C1[N+](=O)[O-] 27662 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O O11379 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.159 O=[N+]([O-])C1=CN=CC(Cl)=C1Br 37687 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.159 O=[N+]([O-])C1=CN=CC(Cl)=C1O I10190 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,2,0,0,0,0|1,0,0]=3 882 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,2,0,0,0,0|1,0,0]=3 885 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,2,0,0,0,0|1,0,0]=3 886 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.167 CC1=CN=C(I)C([N+](=O)[O-])=C1 AC4580 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.167 CC1=NC=C(F)C=C1[N+](=O)[O-] D83273 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13442 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13443 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13444 [0,2,0,0,0,0|1,0,1]=4 895 B11R1.167 N=C(N)C1=C(F)C=CC(Br)=C1 D83462 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 C90520 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=N1 F30972 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=N1 81966 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.167 NC(=O)C1=C(N)N=CC(Cl)=N1 75746 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.167 NC(=O)C1=C(O)N=CC(Cl)=N1 83017 [0,2,0,0,0,0|1,0,0]=3 901 B11R1.167 NC(=O)C1=CC(Br)=NC=C1F C73428 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1N D79795 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.167 NC(=O)C1=CC(Cl)=NN=C1Cl D94927 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.167 NC(=O)C1=CC(F)=CNC1=O D83259 [0,2,0,0,0,0|0,0,1]=3 905 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl W18440 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.167 NC1=C([N+](=O)[O-])C=C(O)C=N1 P20822 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.167 O=C(Cl)C1=C(O)C=CC(Cl)=C1 W16064 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.167 O=[N+]([O-])C1=CC(F)=CN=C1F A11488 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 D93344 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 BL002354 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=N1 D78983 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.266 COC1=CC(C(=O)O)=CN=N1 P13867 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 C77669 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.266 N#CC1=CC=CC(C(N)=O)=N1 A10044 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 35878 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,2,0,0,0,0|2,0,0]=4 938 B9R1.69 CC1=CC=C(Cl)NC1=O 78111 [0,0,1,1,0,0|1,0,1]=4 939 B9R1.69 NC1=NC=C(Cl)C(=O)N1 C16622 [0,0,1,1,0,0|2,0,0]=4 940 B9R1.69 NC1=NC=C(I)C(=O)N1 C13417 [0,0,1,1,0,0|2,0,0]=4 941 B9R1.69 O=C1NC(Cl)=CC=C1Br AT20001 [0,0,1,1,0,0|2,0,0]=4 942 B9R1.69 O=C1NC(Cl)=NC=C1I P18191 [0,0,1,1,0,0|2,0,0]=4 943 B11R2.10 BrC1=CC2=C(C=CN=C2)S1 33663 [0,0,0,1,0,1|1,1,0]=4 944 B11R2.10 BrC1=CC2=C(C=NC=C2)N1 C13692 [0,0,0,1,0,1|2,0,0]=4 945 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 74877 [0,0,0,1,0,1|1,0,0]=3 946 B11R2.10 BrC1=CC2=C(N=CN=C2)N1 P14135 [0,0,0,1,0,1|2,0,0]=4 947 B11R2.10 BrC1=NC2=C(C=NC=C2)N1 P18761 [0,0,0,1,0,1|1,0,1]=4 948 B11R2.10 BrC1=NC2=C(N=CC=C2)N1 P17806 [0,0,0,1,0,1|1,0,0]=3 949 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 27469 [0,0,0,1,0,1|1,1,0]=4 950 B11R2.10 CC1=CC2=C(C=CN=C2)N1 36232 [0,0,0,1,0,1|1,0,0]=3 951 B11R2.10 CC1=CC2=C(C=NC=C2)N1 64428 [0,0,0,1,0,1|2,0,0]=4 952 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [0,0,0,1,0,1|2,0,0]=4 953 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [0,0,0,1,0,1|1,0,1]=4 954 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,0,0,1,0,1|1,0,1]=4 955 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,0,0,1,0,1|2,0,0]=4 956 B11R2.10 ClC1=NC2=C(C=CC=N2)N1 27394 [0,0,0,1,0,1|1,0,1]=4 957 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C73480 [0,0,0,1,0,1|1,0,1]=4 958 B11R2.10 ClC1=NC2=C(C=CC=N2)S1 25924 [0,0,0,1,0,1|1,0,1]=4 959 B11R2.10 ClC1=NC2=C(C=CN=C2)S1 27212 [0,0,0,1,0,1|1,1,0]=4 960 B11R2.10 ClC1=NC2=C(N=CC=C2)S1 27102 [0,0,0,1,0,1|1,1,0]=4 961 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,0,0,1,0,1|2,0,0]=4 962 B11R2.10 IC1=CC2=C(C=CN=C2)N1 I10139 [0,0,0,1,0,1|1,0,0]=3 963 B11R2.10 IC1=CC2=C(N=CN=C2)N1 P14375 [0,0,0,1,0,1|2,0,0]=4 964 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,0,0,1,0,1|1,1,0]=4 965 B11R2.10 NC1=NC2=C(C=CC=N2)S1 P11220 [0,0,0,1,0,1|1,0,0]=3 966 B11R2.10 NC1=NC2=C(C=CN=C2)O1 36483 [0,0,0,1,0,1|0,0,1]=3 967 B11R2.10 NC1=NC2=C(C=CN=C2)S1 P10566 [0,0,0,1,0,1|0,1,0]=3 968 B11R2.10 NC1=NC2=C(C=NC=C2)S1 CL3446 [0,0,0,1,0,1|1,0,0]=3 969 B11R2.10 NC1=NC2=CC=CN=C2O1 F13374 [0,0,0,1,0,1|0,0,1]=3 970 B11R2.10 NC1=NC2=CN=CN=C2S1 O12150 [0,0,0,1,0,1|1,1,0]=4 971 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,1,0,1|0,0,0]=2 972 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,1,0,1|1,0,0]=3 973 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,1,0,1|0,0,0]=2 974 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,1,0,1|1,0,0]=3 975 B11R2.10 O=C1NC2=C(N=CC=N2)N1 D83988 [0,0,0,1,0,1|1,0,0]=3 976 B11R2.10 S=C1NC2=C(C=CN=C2)O1 AC2527 [0,0,0,1,0,1|1,0,1]=4 977 B11R2.10 S=C1NC2=C(N=CC=C2)O1 AC7981 [0,0,0,1,0,1|1,0,1]=4 978 B11R2.10 SC1=NC2=C(C=CC=N2)N1 S11897 [0,0,0,1,0,1|0,1,1]=4 979 B11R2.10 SC1=NC2=C(C=NC=C2)S1 CS1641 [0,0,0,1,0,1|0,1,1]=4 980 B11R2.1 BrC1=CNC2=NC=CN=C12 27776 [0,1,0,1,0,0|2,0,0]=4 981 B11R2.1 BrC1=COC2=C1C=CC=N2 D82844 [0,1,0,1,0,0|1,0,1]=4 982 B11R2.1 BrC1=CSC2=C1C=NC=C2 22943 [0,1,0,1,0,0|1,1,0]=4 983 B11R2.1 BrC1=NNC2=C1C=CC=N2 FD7340 [0,1,0,1,0,0|1,0,0]=3 984 B11R2.1 BrC1=NNC2=C1C=NC=N2 27690 [0,1,0,1,0,0|2,0,0]=4 985 B11R2.1 BrC1=NNC2=NC=CN=C12 35398 [0,1,0,1,0,0|2,0,0]=4 986 B11R2.1 CC1=CNC2=C1C=NC=C2 P11266 [0,1,0,1,0,0|1,0,0]=3 987 B11R2.1 CC1=NNC2=C1C=NC=C2 86905 [0,1,0,1,0,0|1,0,0]=3 988 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [0,1,0,1,0,0|2,0,0]=4 989 B11R2.1 ClC1=CNC2=C1C=NC=N2 C71171 [0,1,0,1,0,0|2,0,0]=4 990 B11R2.1 ClC1=NNC2=C1C=CC=N2 P10351 [0,1,0,1,0,0|1,0,0]=3 991 B11R2.1 FC1=CNC2=C1C=CC=N2 P15371 [0,1,0,1,0,0|1,0,0]=3 992 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,1,0,1,0,0|2,0,0]=4 993 B11R2.1 IC1=NNC2=C1C=NC=C2 P13274 [0,1,0,1,0,0|1,0,0]=3 994 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,1,0,1,0,0|2,0,0]=4 995 B11R2.1 NC1=CNC2=NC=CC=C12 78898 [0,1,0,1,0,0|1,0,0]=3 996 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,1,0,1,0,0|1,1,0]=4 997 B11R2.1 NC1=CSC2=C1C=NC=C2 Y14608 [0,1,0,1,0,0|0,1,0]=3 998 B11R2.1 NC1=CSC2=NC=CC=C12 H12065 [0,1,0,1,0,0|0,1,0]=3 999 B11R2.1 NC1=CSC2=NC=CN=C12 28037 [0,1,0,1,0,0|1,1,0]=4 1000 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,1,0,1,0,0|2,0,0]=4 1001 B11R2.1 NC1=NN=C2N=CC=CN12 70879 [0,1,0,1,0,0|2,0,0]=4 1002 B11R2.1 NC1=NNC2=C1C=CN=N2 87813 [0,1,0,1,0,0|2,0,0]=4 1003 B11R2.1 NC1=NNC2=C1C=NC=C2 BL009412 [0,1,0,1,0,0|1,0,0]=3 1004 B11R2.1 NC1=NOC2=C1C=NC=C2 A50063 [0,1,0,1,0,0|0,0,1]=3 1005 B11R2.1 NC1=NSC2=NC=CC=C12 27745 [0,1,0,1,0,0|0,1,0]=3 1006 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,1,0,1,0,0|1,0,1]=4 1007 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,1,0,1,0,0|1,0,1]=4 1008 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,1,0,1,0,0|2,0,0]=4 1009 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,1,0,1,0,0|1,0,0]=3 1010 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,1,0,1,0,0|2,0,0]=4 1011 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,1,0,1,0,0|0,0,0]=2 1012 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,1,0,1,0,0|2,0,0]=4 1013 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,1,0,1,0,0|0,0,0]=2 1014 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,1,0,1,0,0|1,0,1]=4 1015 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,1,0,1,0,0|2,0,0]=4 1016 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,1,0,1,0,0|1,0,0]=3 1017 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,1,0,1,0,0|1,0,0]=3 1018 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,1,0,1,0,0|0,0,0]=2 1019 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,1,0,1,0,0|2,0,0]=4 1020 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,1,0,1,0,0|2,0,0]=4 1021 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,1,0,1,0,0|1,0,1]=4 1022 B11R2.1 OC1=NOC2=NC=CC=C12 A51240 [0,1,0,1,0,0|0,0,2]=4 1023 B11R2.40 NC1(C2=CC=CN=C2)CC1 E10032 [0,1,0,1,0,0|1,0,1]=4 1024 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [0,1,0,1,0,0|1,0,1]=4 1025 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,1,0|2,0,0]=4 1026 B7R1.1 C=CC1=CN=CN1 D82417 [1,0,0,0,1,0|2,0,0]=4 1027 B7R1.1 C=CC1=NNC=C1 P13173 [1,0,0,0,1,0|2,0,0]=4 1028 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,1,0|0,0,2]=4 1029 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,1,0|1,0,1]=4 1030 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,1,0|1,0,1]=4 1031 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,1,0|1,0,1]=4 1032 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,1,0|0,0,2]=4 1033 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,1,0|1,0,1]=4 1034 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,1,0|1,0,1]=4 1035 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,1,0|1,0,1]=4 1036 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,1,0|1,0,1]=4 1037 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,1,0|1,0,1]=4 1038 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,1,0|1,0,1]=4 1039 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,1,0|1,0,1]=4 1040 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,1,0|1,0,1]=4 1041 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,1,0|1,0,1]=4 1042 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,1,0|1,0,1]=4 1043 B7R1.1 NNC1=NC=CS1 C74550 [1,0,0,0,1,0|2,0,0]=4 1044 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,1,0|1,0,0]=3 1045 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,0,1,0|1,0,0]=3 1046 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,0,1,0|0,0,1]=3 1047 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,1,0|1,0,0]=3 1048 B7R1.1 O=CC1=CNN=N1 F13257 [1,0,0,0,1,0|2,0,0]=4 1049 B7R1.1 O=CC1=CON=C1 95893 [1,0,0,0,1,0|1,0,0]=3 1050 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,0,1,0|1,0,0]=3 1051 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,2|2,0,0]=4 1052 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,2|2,0,0]=4 1053 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,2|0,0,0]=2 1054 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,2|1,0,0]=3 1055 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,0,0,0,2|1,0,0]=3 1056 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,0,0,0,2|2,0,0]=4 1057 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,0,0,0,2|2,0,0]=4 1058 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,2|2,0,0]=4 1059 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,2|2,0,0]=4