0 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,0,0|0,0,2]=2 17 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,0,0|0,0,2]=2 18 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,0,0|1,0,2]=3 22 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,0,0|1,0,0]=1 23 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 N=C(N)C1=NC=CC=N1 D74674 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 OB(O)C1=NC=NC=C1 29744 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.2 BrCC1=NC=CN=C1 31757 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 BrCC1=NC=NC=C1 Y10744 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 BrCC1=NN=CC=C1 27114 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 C#CC1=NC=CN=C1 P11646 [1,0,0,0,0,0|1,0,2]=4 38 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.2 CNC1=NC=NC=C1 W10133 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 COC1=NC=NC=C1 T72699 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 ClCC1=NC=CN=C1 37060 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 ClCC1=NN=CC=C1 37063 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 N#CC1=NC=CC=C1 D77869 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 N#CC1=NN=CC=C1 82702 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 NCC1=CC=CN=N1 36976 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.2 NCC1=CC=CN=N1 AT13034 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 NCC1=CC=CN=N1 P15536 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 NCC1=NC=CN=C1 67569 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.2 NNC1=NC=NC=C1 N12626 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 O=CC1=NC=NC=C1 26359 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,0,0,0|0,1,1]=3 53 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,1,0,0,0,0|1,0,0]=2 58 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,0|0,0,0]=1 61 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,0|0,0,0]=1 62 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,1,0,0,0,0|1,0,0]=2 63 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,1,0,0,0,0|1,0,1]=3 66 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,1,0,0,0,0|1,0,1]=3 67 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,0|2,0,0]=3 76 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,1,0,0,0,0|2,0,0]=3 78 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,1,0,0,0,0|1,0,1]=3 80 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,0,0|0,0,2]=3 82 B10R1.13 CN(C)C1=NC=C(N)C=N1 C10726 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.13 CN(C)C1=NN=C(Br)C=C1 A12070 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 S10309 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,1,0,0,0,0|1,0,1]=3 98 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,1,0,0,0,0|1,0,1]=3 99 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,1,0,0,0,0|1,0,1]=3 103 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,1,0,0,0,0|1,0,1]=3 105 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,1,0,0,0,0|1,0,1]=3 108 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,1,0,0,0,0|1,0,1]=3 109 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,1,0,0,0,0|1,0,1]=3 110 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,1,0,0,0,0|1,0,1]=3 111 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91193 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Y10520 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,1,0,0,0,0|1,0,2]=4 116 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,1,0,0,0,0|1,0,2]=4 117 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,1,0,0,0,0|0,0,2]=3 118 B10R1.13 C[C@H](O)C1=NC=C(F)C=N1 F52098 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 O11358 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 37719 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 N=C(N)C1=NC=C(F)C=C1 38084 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.13 NC(=O)C1=NC=C(N)C=N1 30495 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 NC1=CN=C(C(F)F)C=C1 O11506 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.13 NC1=CN=C(C(F)F)C=C1 W11082 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.13 NC1=CN=C([N+](=O)[O-])C=C1 26771 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.13 OB(O)C1=NC=C(Br)C=C1 57235 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.13 OB(O)C1=NC=C(F)C=C1 F16224 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.13 OC1=CN=C(C(F)F)C=C1 D92853 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,1,0,0,0,0|1,0,2]=4 155 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,1,0,0,0,0|1,0,2]=4 156 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,0,0,0|0,0,2]=3 163 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,1,0,0,0,0|2,1,0]=4 164 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,1,0,0,0,0|1,0,1]=3 165 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,1,0,0,0,0|1,0,1]=3 166 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,1,0,0,0,0|0,0,0]=1 170 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,1,0,0,0,0|1,0,2]=4 173 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [0,1,0,0,0,0|1,0,1]=3 174 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,1,0,0,0,0|1,0,1]=3 175 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12625 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,1,0,0,0,0|0,0,2]=3 177 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 C15067 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 O10532 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.28 C[Sn](C)(C)C1=NC=CC=C1 T71744 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.28 O=S(=O)(Cl)C1=NC=CC=C1 F14522 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.28 O[B-](O)(O)C1=NC=CC=C1 CS1806 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.28 [2H]C([2H])(N)C1=NC=CC=C1 W18284 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,0,0|0,0,0]=1 188 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,0,0|0,0,0]=1 192 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,0,0|0,0,0]=1 200 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,0,0|0,0,0]=1 201 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,1,0,0,0,0|1,0,1]=3 202 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,1,0,0,0,0|1,0,1]=3 204 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.61 CC1=CC=CN=C1B(O)O C16742 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,1,0,0,0,0|1,0,1]=3 216 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,1,0,0,0,0|1,0,1]=3 217 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,1,0,0,0,0|1,0,1]=3 219 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,1,0,0,0,0|1,0,1]=3 220 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,1,0,0,0,0|0,0,2]=3 221 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,1,0,0,0,0|1,0,1]=3 228 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,1,0,0,0,0|1,0,1]=3 229 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,1,0,0,0,0|1,0,1]=3 234 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,1,0,0,0,0|1,0,2]=4 243 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,1,0,0,0,0|1,0,2]=4 244 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,1,0,0,0,0|1,0,2]=4 245 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,1,0,0,0,0|0,0,2]=3 246 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,1,0,0,0,0|0,0,2]=3 247 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,0,0,0|1,0,2]=4 248 B10R1.61 FC(F)C1=C(Br)C=CC=N1 C71751 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [0,1,0,0,0,0|3,0,0]=4 250 B10R1.61 N=C(N)C1=C(F)C=CC=N1 90259 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,1,0,0,0,0|3,0,0]=4 258 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,1,0,0,0,0|3,0,0]=4 261 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,1,0,0,0,0|2,0,0]=3 265 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,0,0|1,0,0]=2 271 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,0|0,0,0]=1 272 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,1,0,0,0,0|2,0,0]=3 274 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,1,0,0,0,0|1,0,0]=2 276 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,0,0|0,0,0]=1 277 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,0,0|0,0,0]=1 278 B10R1.113 CC(C)C1=CC(Cl)=NC=N1 D95118 [0,1,0,0,0,0|2,0,1]=4 279 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,1,0,0,0,0|1,0,2]=4 280 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,1,0,0,0,0|1,0,1]=3 281 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,1,0,0,0,0|1,0,1]=3 282 B10R1.113 CC(C)C1=CC=NC(N)=N1 92048 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,1,0,0,0,0|1,0,1]=3 284 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,1,0,0,0,0|1,0,1]=3 285 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,1,0,0,0,0|1,0,1]=3 286 B10R1.113 CC(C)C1=NC=CC(O)=N1 W12564 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,0,0|0,0,2]=3 290 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,1,0,0,0,0|2,0,0]=3 291 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,0,0|1,0,0]=2 292 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,0,0|2,0,1]=4 295 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,0,0|2,0,1]=4 297 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,0,0|1,0,2]=4 298 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,0,0|1,0,2]=4 299 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,0,0|0,0,2]=3 300 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,1,0,0,0,0|2,0,0]=3 301 B10R1.113 CC1=CC=NC(C(=N)N)=N1 P12879 [0,1,0,0,0,0|3,0,0]=4 302 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,1,0,0,0,0|2,0,0]=3 303 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [0,1,0,0,0,0|2,0,0]=3 305 B10R1.113 CN(C)C1=NC=CC(Br)=C1 26905 [0,1,0,0,0,0|2,0,0]=3 306 B10R1.113 CN(C)C1=NC=CC(Cl)=N1 F11794 [0,1,0,0,0,0|3,0,0]=4 307 B10R1.113 CN(C)C1=NC=NC(N)=C1 AT18311 [0,1,0,0,0,0|3,0,0]=4 308 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,1,0,0,0,0|1,0,1]=3 311 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,1,0,0,0,0|1,0,1]=3 312 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,1,0,0,0,0|1,0,1]=3 313 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,1,0,0,0,0|1,0,1]=3 314 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,1,0,0,0,0|1,0,1]=3 315 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,1,0,0,0,0|1,0,1]=3 316 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,1,0,0,0,0|1,0,1]=3 317 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,1,0,0,0,0|2,0,1]=4 319 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,1,0,0,0,0|1,0,1]=3 321 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,1,0,0,0,0|1,0,1]=3 322 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,1,0,0,0,0|2,0,1]=4 325 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,1,0,0,0,0|2,0,1]=4 327 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,1,0,0,0,0|1,0,1]=3 328 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,1,0,0,0,0|1,0,1]=3 329 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,1,0,0,0,0|1,0,1]=3 330 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,1,0,0,0,0|1,0,1]=3 331 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,1,0,0,0,0|2,0,1]=4 332 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,1,0,0,0,0|2,0,1]=4 334 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,1,0,0,0,0|2,0,1]=4 335 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,1,0,0,0,0|2,0,1]=4 337 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,1,0,0,0,0|1,0,2]=4 338 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,1,0,0,0,0|1,0,2]=4 339 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,1,0,0,0,0|1,0,2]=4 341 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,1,0,0,0,0|0,0,2]=3 342 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.113 FC(F)C1=CC=CC(Cl)=N1 D83938 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.113 FC(F)C1=NC=CC(Cl)=C1 69159 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,0,0|2,0,0]=3 346 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,1,0,0,0,0|1,0,0]=2 347 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,1,0,0,0,0|3,0,0]=4 349 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,1,0,0,0,0|1,0,0]=2 351 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,1,0,0,0,0|1,0,0]=2 352 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,1,0,0,0,0|2,0,0]=3 353 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,1,0,0,0,0|2,0,0]=3 354 B10R1.113 NC1=CC(C(F)F)=NC=C1 C73620 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 CS1209 [0,1,0,0,0,0|2,0,0]=3 356 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,0|2,0,0]=3 357 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,1,0,0,0,0|3,0,0]=4 358 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,1,0,0,0,0|1,0,0]=2 360 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,1,0,0,0,0|3,0,0]=4 361 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,1,0,0,0,0|2,0,0]=3 362 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,1,0,0,0,0|2,0,0]=3 363 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,1,0,0,0,0|1,0,0]=2 364 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,0|2,0,0]=3 365 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,1,0,0,0,0|1,0,1]=3 366 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 BL000528 [0,1,0,0,0,0|2,0,0]=3 367 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 C77097 [0,1,0,0,0,0|2,0,0]=3 368 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 C76921 [0,1,0,0,0,0|2,0,0]=3 369 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 H10537 [0,1,0,0,0,0|2,0,0]=3 370 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 S11103 [0,1,0,0,0,0|2,0,1]=4 371 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,1,0,0|1,0,0]=2 372 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,1,0|2,0,0]=3 373 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,1,0|2,0,0]=3 374 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,1,0|2,0,0]=3 375 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,1,0|2,0,0]=3 376 B8R1.7 CC(=O)C1=CN=NS1 66662 [0,0,0,0,1,0|3,0,0]=4 377 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,0,0,0,1,0|2,0,0]=3 378 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,1,0|1,0,0]=2 379 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,1,0|1,0,0]=2 380 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,1,0|2,0,1]=4 381 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,0,0,0,1,0|2,0,1]=4 382 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,0,0,0,1,0|3,0,0]=4 383 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,1,0|2,0,1]=4 384 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,1,0|2,0,1]=4 385 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,0,0,0,1,0|2,0,1]=4 386 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,0,0,0,1,0|2,0,1]=4 387 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,0,0,0,1,0|2,0,1]=4 388 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,0,0,0,1,0|2,0,1]=4 389 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,0,0,0,1,0|2,0,1]=4 390 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,0,0,0,1,0|2,0,1]=4 391 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,0,0,0,1,0|2,0,1]=4 392 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,0,0,0,1,0|2,0,1]=4 393 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,0,0,0,1,0|2,0,1]=4 394 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,0,0,0,1,0|2,0,1]=4 395 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,0,0,0,1,0|2,0,1]=4 396 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,0,0,0,1,0|2,0,1]=4 397 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,0,0,0,1,0|2,0,1]=4 398 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,0,0,0,1,0|2,0,1]=4 399 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,0,0,0,1,0|2,0,1]=4 400 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,0,0,0,1,0|1,0,2]=4 401 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,0,0,0,1,0|1,0,2]=4 402 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,0,0,0,1,0|1,0,2]=4 403 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,0,0,0,1,0|3,0,0]=4 404 B8R1.7 N=C(N)C1=NC=CN1 P15305 [0,0,0,0,1,0|3,0,0]=4 405 B8R1.7 N=C(N)C1=NC=CN1 P19492 [0,0,0,0,1,0|3,0,0]=4 406 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,0,1,0|3,0,0]=4 407 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,0,1,0|3,0,0]=4 408 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,0,0,0,1,0|3,0,0]=4 409 B8R1.7 NC(=O)C1=COC=N1 35847 [0,0,0,0,1,0|2,0,0]=3 410 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,0,0,0,1,0|2,0,0]=3 411 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,0,0,0,1,0|2,0,0]=3 412 B8R1.7 NC(=S)C1=COC=N1 24414 [0,0,0,0,1,0|2,1,0]=4 413 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [0,0,0,0,1,0|2,0,0]=3 414 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,0,1,0|3,0,0]=4 415 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,0,0,0,1,0|3,0,0]=4 416 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,0,0,0,1,0|3,0,0]=4 417 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,0,1,0|2,0,0]=3 418 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,0,0,0,1,0|3,0,0]=4 419 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,0,0,0,1,0|2,0,1]=4 420 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,0,0,0,1,0|3,0,0]=4 421 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,0,0,0,1|3,0,0]=4 422 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,1|2,0,0]=3 423 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,0,1|1,0,0]=2 424 B10R1.18 CC(C)NC1=NC=CC=N1 C75128 [0,0,0,0,0,1|2,0,1]=4 425 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,0,0,0,0,1|1,0,1]=3 426 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,0,1|3,0,0]=4 427 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,0,1|2,0,0]=3 428 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,0,0,0,0,1|2,0,0]=3 429 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,0,1|2,1,0]=4 430 B10R1.18 NC(=S)NC1=NC=CN=C1 W13133 [0,0,0,0,0,1|2,1,0]=4 431 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [0,0,0,0,0,1|2,0,0]=3 432 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|1,0,1]=4 433 B7R1.3 BrC1=NC=NC=C1 54642 [2,0,0,0,0,0|2,0,0]=4 434 B7R1.3 BrC1=NC=NC=C1 54644 [2,0,0,0,0,0|2,0,0]=4 435 B7R1.3 CC1=NC=CN=N1 C74235 [2,0,0,0,0,0|2,0,0]=4 436 B7R1.3 ClC1=NN=CC=C1 57588 [2,0,0,0,0,0|2,0,0]=4 437 B7R1.3 NC1=CC=CC=C1 T70935 [2,0,0,0,0,0|2,0,0]=4 438 B7R1.3 NC1=CC=CC=C1 T71037 [2,0,0,0,0,0|2,0,0]=4 439 B7R1.3 SC1=NC=CN=C1 F16108 [2,0,0,0,0,0|1,1,0]=4 440 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.1 C#CC1=NC=C(Br)C=C1 84355 [1,1,0,0,0,0|0,0,2]=4 442 B9R1.1 C#CC1=NC=C(Cl)C=C1 84384 [1,1,0,0,0,0|0,0,2]=4 443 B9R1.1 C#CC1=NC=C(Cl)C=C1 N13106 [1,1,0,0,0,0|0,0,2]=4 444 B9R1.1 C#CC1=NC=C(N)C=C1 D83980 [1,1,0,0,0,0|0,0,2]=4 445 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [1,1,0,0,0,0|0,0,1]=3 446 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,1,0,0,0,0|1,0,1]=4 451 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,1,0,0,0,0|0,0,1]=3 452 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,1,0,0,0,0|0,0,1]=3 454 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,1,0,0,0,0|0,0,1]=3 455 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.1 CNC1=NC=C(N)C=N1 AT18272 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.1 CNC1=NN=C(Br)C=C1 C10836 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.1 COC1=NC=C(I)C=N1 W11580 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.1 COC1=NC=C(N)C=N1 35336 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.1 COC1=NC=C(N)N=C1 24331 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.1 COC1=NC=C(O)C=N1 C16680 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.1 COC1=NN=C(I)C=C1 C15088 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.1 CSC1=NC=C(Cl)C=N1 63237 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.1 CSC1=NC=C(N)C=N1 31929 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.1 N#CC1=NC=C(I)C=C1 78743 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.1 N#CC1=NC=C(O)C=C1 24955 [1,1,0,0,0,0|1,0,1]=4 475 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [1,1,0,0,0,0|0,0,0]=2 476 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,1,0,0,0,0|1,0,1]=4 478 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,1,0,0,0,0|1,0,1]=4 479 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,1,0,0,0,0|1,0,1]=4 480 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,1,0,0,0,0|1,0,1]=4 481 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,1,0,0,0,0|1,0,1]=4 482 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.1 NNC1=NC=C(F)C=C1 W17746 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [1,1,0,0,0,0|1,0,0]=3 488 B9R1.2 C#CC1=CC=CC(Br)=N1 D82337 [1,1,0,0,0,0|0,0,2]=4 489 B9R1.2 C#CC1=CC=CC(Cl)=N1 AT12436 [1,1,0,0,0,0|0,0,2]=4 490 B9R1.2 C#CC1=CC=CC(F)=N1 C71915 [1,1,0,0,0,0|0,0,2]=4 491 B9R1.2 C#CC1=NC=CC(N)=C1 72871 [1,1,0,0,0,0|0,0,2]=4 492 B9R1.2 C#CC1=NC=CC(N)=C1 C76101 [1,1,0,0,0,0|0,0,2]=4 493 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [1,1,0,0,0,0|0,0,1]=3 495 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [1,1,0,0,0,0|0,0,1]=3 496 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [1,1,0,0,0,0|0,0,1]=3 497 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [1,1,0,0,0,0|0,0,1]=3 498 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [1,1,0,0,0,0|0,0,1]=3 499 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [1,1,0,0,0,0|1,0,1]=4 500 B9R1.2 CC1=CC(CN)=NC=C1 72801 [1,1,0,0,0,0|1,0,1]=4 501 B9R1.2 CC1=CC(CN)=NC=C1 78899 [1,1,0,0,0,0|1,0,1]=4 502 B9R1.2 CC1=CC(NN)=NC=C1 BL010278 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.2 CC1=CC=CC(NN)=N1 W17082 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,1,0,0,0,0|1,0,0]=3 506 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,1,0,0,0,0|0,0,1]=3 509 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [1,1,0,0,0,0|0,0,1]=3 512 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.2 CNC1=CC(N)=CC=C1 36494 [1,1,0,0,0,0|2,0,0]=4 514 B9R1.2 CNC1=CC=NC(Br)=N1 D80192 [1,1,0,0,0,0|2,0,0]=4 515 B9R1.2 CNC1=NC(C)=CN=C1 74811 [1,1,0,0,0,0|2,0,0]=4 516 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.2 CNC1=NC=CC(Cl)=N1 24763 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.2 CNC1=NC=CC(N)=C1 27435 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.2 COC1=CC(Br)=NC=N1 C76202 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.2 COC1=CC(Cl)=CN=N1 E70128 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.2 COC1=CC(F)=NC=N1 D83389 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.2 COC1=NC(C)=CC=N1 C72586 [1,1,0,0,0,0|2,0,0]=4 523 B9R1.2 COC1=NC(C)=NC=C1 73836 [1,1,0,0,0,0|2,0,0]=4 524 B9R1.2 COC1=NC(N)=CN=C1 24364 [1,1,0,0,0,0|2,0,0]=4 525 B9R1.2 COC1=NC(O)=CC=N1 Y10376 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.2 COC1=NC=CC(Br)=N1 25350 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.2 COC1=NC=NC(C)=C1 H10028 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.2 CSC1=CC(Br)=NC=N1 C71732 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [1,1,0,0,0,0|2,0,0]=4 530 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [1,1,0,0,0,0|1,0,0]=3 532 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [1,1,0,0,0,0|1,0,0]=3 533 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [1,1,0,0,0,0|1,0,1]=4 536 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [1,1,0,0,0,0|1,0,1]=4 538 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [1,1,0,0,0,0|1,0,1]=4 539 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.2 N#CC1=NC=CC(O)=C1 C75263 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,1,0,0,0,0|0,0,2]=4 542 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [1,1,0,0,0,0|0,0,0]=2 544 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [1,1,0,0,0,0|1,0,1]=4 545 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [1,1,0,0,0,0|1,0,1]=4 546 B9R1.2 NCC1=CC=CC(F)=N1 25846 [1,1,0,0,0,0|1,0,1]=4 547 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [1,1,0,0,0,0|1,0,1]=4 549 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [1,1,0,0,0,0|1,0,0]=3 553 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [1,1,0,0,0,0|0,0,1]=3 554 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [1,1,0,0,0,0|2,0,0]=4 557 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,1,0,0,0,0|0,0,0]=2 558 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [1,1,0,0,0,0|1,0,0]=3 559 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,1,0,0,0,0|0,0,2]=4 560 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,1,0,0,0,0|0,0,2]=4 561 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,1,0,0,0,0|1,0,1]=4 562 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,1,0,0,0,0|1,0,1]=4 563 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.8 NNCC1=NC=CC=C1 78929 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,1,0,0,0,0|1,0,1]=4 568 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,1,0,0,0,0|1,0,1]=4 569 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [1,1,0,0,0,0|1,0,1]=4 570 B9R1.15 C#CC1=C(F)C=CC=N1 F21381 [1,1,0,0,0,0|0,0,2]=4 571 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [1,1,0,0,0,0|2,0,0]=4 573 B9R1.15 CC1=CC=CN=C1CN C72913 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,1,0,0,0,0|1,0,0]=3 575 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,1,0,0,0,0|0,0,1]=3 576 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,1,0,0,0,0|0,0,1]=3 578 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.15 CCC1=NC=CNC1=O S12194 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.15 CNC1=C(Br)C=NC=N1 27470 [1,1,0,0,0,0|2,0,0]=4 581 B9R1.15 CNC1=NC=CC=C1N 72351 [1,1,0,0,0,0|1,0,0]=3 582 B9R1.15 CNC1=NC=CN=C1N 25161 [1,1,0,0,0,0|2,0,0]=4 583 B9R1.15 COC1=C(Br)C=NC=N1 H10144 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.15 COC1=C(I)C=NC=N1 C74109 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.15 COC1=NC=CC=C1C C73664 [1,1,0,0,0,0|1,0,0]=3 586 B9R1.15 COC1=NC=CN=C1Br 27717 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 COC1=NC=NC=C1N 24306 [1,1,0,0,0,0|2,0,0]=4 588 B9R1.15 COC1=NC=NC=C1N 36696 [1,1,0,0,0,0|2,0,0]=4 589 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.15 FC1=CC=CN=C1CBr 38126 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.15 FC1=CC=CN=C1CCl AC1446 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.15 N#CC1=C(I)C=CC=N1 CL0132 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.15 NC1=CC=CN=C1C=O 80155 [1,1,0,0,0,0|0,0,0]=2 596 B9R1.15 NC1=CC=CN=C1CO H10562 [1,1,0,0,0,0|0,0,2]=4 597 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [1,1,0,0,0,0|1,0,1]=4 599 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [1,1,0,0,0,0|1,0,1]=4 600 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.15 NCC1=C(F)C=CC=N1 37501 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.15 NCC1=C(F)C=CC=N1 71993 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.15 NCC1=NC=CC=C1N AC4283 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.15 NNC1=C(F)C=CC=N1 F20903 [1,1,0,0,0,0|2,0,0]=4 606 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,1,0,0,0,0|1,0,0]=3 608 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,1,0,0,0,0|2,0,0]=4 609 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [1,1,0,0,0,0|2,0,0]=4 610 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,1,0,0,0,0|1,0,0]=3 611 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,1,0,0,0,0|1,0,0]=3 612 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,1,0,0,1,0|1,0,0]=3 613 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,1,0,0,1,0|1,0,0]=3 614 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,1,0,0,1,0|1,0,0]=3 615 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,1,0,0,1,0|1,0,1]=4 616 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,1,0,0,1,0|2,0,0]=4 617 B9R1.11 COC(=O)C1=COC=N1 22956 [0,1,0,0,1,0|1,0,0]=3 618 B9R1.11 COC(=O)C1=CSN=N1 W15897 [0,1,0,0,1,0|2,0,0]=4 619 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,1,0,0,1,0|1,0,0]=3 620 B9R1.11 NNC(=O)C1=NC=CS1 78397 [0,1,0,0,1,0|2,0,0]=4 621 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,0,1,0|1,0,0]=3 622 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,0,1,0|1,0,0]=3 623 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,1,0,0,1,0|1,0,1]=4 624 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,1,0,0,1,0|2,0,0]=4 625 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,1,0|1,0,0]=3 626 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,1,0,0,1,0|1,0,0]=3 627 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,1,0,0,1,0|1,0,0]=3 628 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,1,0|1,0,0]=3 629 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,1,0,0,1,0|1,0,0]=3 630 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,1,0,0,1,0|1,0,0]=3 631 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,1,0,0,1,0|1,0,0]=3 632 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,1,0|1,0,0]=3 633 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,1,0,0,1,0|1,0,0]=3 634 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,1,0|1,0,0]=3 635 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,1,0,0,1,0|1,0,0]=3 636 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,0,1,0|1,0,0]=3 637 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,1,0,0,1,0|1,0,0]=3 638 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,1,0,0,1,0|1,0,0]=3 639 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,1,0,0,1,0|1,0,0]=3 640 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,1,0,0,1,0|1,0,1]=4 641 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,0,1,0|2,0,0]=4 642 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,1,0,0,1,0|2,0,0]=4 643 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,0,1,0|2,0,0]=4 644 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,0,1,0|2,0,0]=4 645 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,0,1,0|2,0,0]=4 646 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,1,0,0,1,0|2,0,0]=4 647 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,1,0,0,1,0|2,0,0]=4 648 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,0,1,0|2,0,0]=4 649 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,1,0,0,1,0|2,0,0]=4 650 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,1,0,0,1,0|1,0,1]=4 651 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,1,0,0,1,0|2,0,0]=4 652 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,1,0,0,1,0|1,0,1]=4 653 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,1,0,0,1,0|2,0,0]=4 654 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,1,0,0,1,0|2,0,0]=4 655 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,1,0,0,1,0|2,0,0]=4 656 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,1,0,0,1,0|1,0,1]=4 657 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,1,0,0,1,0|2,0,0]=4 658 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,1,0,0,1,0|2,0,0]=4 659 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,1,0,0,1,0|2,0,0]=4 660 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,1,0,0,1,0|2,0,0]=4 661 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,1,0,0,1,0|2,0,0]=4 662 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,1,0,0,1,0|2,0,0]=4 663 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,1,0,0,1,0|1,0,1]=4 664 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,0,1,0|2,0,0]=4 665 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,0,1,0|2,0,0]=4 666 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,1,0,0,1,0|2,0,0]=4 667 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,1,0,0,1,0|2,0,0]=4 668 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,1,0,0,1,0|2,0,0]=4 669 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,1,0,0,1,0|2,0,0]=4 670 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,1,0,0,1,0|2,0,0]=4 671 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,1,0,0,1,0|2,0,0]=4 672 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,1,0,0,1,0|2,0,0]=4 673 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,1,0,0,1,0|2,0,0]=4 674 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,1,0,0,1,0|2,0,0]=4 675 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,1,0,0,1,0|1,0,0]=3 676 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,0,1,0|1,0,1]=4 677 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,0,1,0|1,0,0]=3 678 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,0,1,0|1,0,0]=3 679 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,0,1,0|2,0,0]=4 680 B9R1.41 NC(=O)C1=C(N)NC=N1 C13072 [0,1,0,0,1,0|2,0,0]=4 681 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [0,1,0,0,1,0|2,0,0]=4 682 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,1,0,0,1,0|1,0,1]=4 683 B9R1.41 NC(=O)C1=NNC=C1Br 25218 [0,1,0,0,1,0|2,0,0]=4 684 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,1,0,0,1,0|1,0,1]=4 685 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,1,0,0,1,0|2,0,0]=4 686 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,1,0,0,1,0|2,0,0]=4 687 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,1,0,0,1,0|2,0,0]=4 688 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,1,0,0,1,0|2,0,0]=4 689 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,1,0,0,1,0|1,0,1]=4 690 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,1,0,0,1,0|2,0,0]=4 691 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,1,0,0,1,0|2,0,0]=4 692 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,1,0,0,1,0|2,0,0]=4 693 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,1,0,0,1,0|2,0,0]=4 694 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 C12628 [0,1,0,0,0,1|1,0,0]=3 697 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,1,0,0,0,1|0,0,0]=2 698 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 F52718 [0,1,0,0,0,1|1,0,0]=3 699 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,1,0,0,0,1|1,0,1]=4 700 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [0,1,0,0,0,1|1,0,1]=4 701 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,1,0,0,0,1|1,0,0]=3 702 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,1,0,0,0,1|1,0,1]=4 703 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 P17479 [0,1,0,0,0,1|2,0,0]=4 704 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,0,1|2,0,0]=4 705 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,0,1|1,0,0]=3 706 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,0,1|2,0,0]=4 707 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,1,0,0,0,1|1,0,0]=3 708 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [0,1,0,0,0,1|2,0,0]=4 709 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,1,0,0,0,1|1,0,0]=3 710 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 27383 [0,1,0,0,0,1|2,0,0]=4 711 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,1,0,0,0,1|1,0,0]=3 712 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,1,0,0,0,1|1,0,0]=3 713 B11R1.20 O=C([O-])CC1=NC=C(Br)C=N1 P16752 [0,1,0,0,0,1|2,0,0]=4 714 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,1|1,0,0]=3 715 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,1|1,0,0]=3 716 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,1,0,0,0,1|1,0,1]=4 717 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,1,0,0,0,1|1,0,1]=4 718 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,1,0,0,0,1|1,0,1]=4 719 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,1,0,0,0,1|1,0,1]=4 720 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,1,0,0,0,1|2,0,0]=4 721 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,1|1,0,0]=3 722 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,1,0,0,0,1|2,0,0]=4 723 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,1,0,0,0,1|1,0,0]=3 724 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,1|1,0,0]=3 725 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,0,0,0,1|1,0,0]=3 726 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,0,0,0,1|1,0,0]=3 727 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,0,0,0,1|2,0,0]=4 728 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,0,0,0,1|1,0,1]=4 729 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,1|1,0,0]=3 730 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,0,0,0,1|1,0,0]=3 731 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,0,1|1,0,0]=3 732 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [0,1,0,0,0,1|2,0,0]=4 733 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,1,0,0,0,1|2,0,0]=4 734 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,1,0,0,0,1|1,0,0]=3 735 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,1,0,0,0,1|1,0,0]=3 736 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,1,0,0,0,1|2,0,0]=4 737 B11R1.86 O=C([O-])CC1=C(Cl)C=CC=N1 27510 [0,1,0,0,0,1|1,0,0]=3 738 B11R1.86 O=C([O-])CC1=C(F)C=CC=N1 98377 [0,1,0,0,0,1|1,0,0]=3 739 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl P15537 [0,1,0,0,0,1|2,0,0]=4 740 B11R1.157 CC(=O)NC1=CC(Cl)=NC=N1 79548 [0,1,0,0,0,1|1,0,0]=3 741 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [0,1,0,0,0,1|0,0,0]=2 742 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [0,1,0,0,0,1|0,0,0]=2 743 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,0,1|1,0,0]=3 744 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,0,1|1,0,0]=3 745 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 72240 [0,1,0,0,0,1|1,0,1]=4 746 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 W12583 [0,1,0,0,0,1|1,0,1]=4 747 B11R1.157 CC(C)OC1=NC=CC(I)=C1 W17318 [0,1,0,0,0,1|1,0,1]=4 748 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,1,0,0,0,1|1,0,0]=3 749 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,1,0,0,0,1|1,0,0]=3 750 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,1,0,0,0,1|1,0,0]=3 751 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,1,0,0,0,1|0,0,2]=4 752 B11R1.157 N=C(N)SC1=NC(N)=CC=C1 C73729 [0,1,0,0,0,1|2,0,0]=4 753 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,0,1|2,0,0]=4 754 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,0,1|2,0,0]=4 755 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,1,0,0,0,1|1,0,0]=3 756 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,1,0,0,0,1|1,0,0]=3 757 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,1,0,0,0,1|1,0,0]=3 758 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,1,0,0,0,1|2,0,0]=4 759 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,1,0,0,0,1|1,0,0]=3 760 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS1089 [0,1,0,0,0,1|1,0,1]=4 761 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,1,0,0,0,1|2,0,0]=4 762 B11R1.509 O=S(=O)(O)CC1=NC=CC=C1 95731 [0,1,0,0,0,1|2,0,0]=4 763 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.3 C#CC1=CN=C(N(C)C)C=C1 AC6759 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,2,0,0,0,0|0,0,0]=2 768 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 C77133 [0,2,0,0,0,0|1,0,0]=3 769 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,2,0,0,0,0|1,0,0]=3 770 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 78785 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.3 COC1=CN=C(C(=N)N)C=C1 66227 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 O11418 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.3 N#CC1=CN=C(C(=O)O)N=C1 55103 [0,2,0,0,0,0|2,0,0]=4 780 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,2,0,0,0,0|1,0,0]=3 784 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.3 N\N=C1\C=CC(C(N)=O)=NN1 AC1183 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.3 O=CC1=CN=C([N+](=O)[O-])C=C1 D83993 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.3 O=[N+]([O-])C1=NC=C(CBr)C=C1 O11297 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 84353 [0,2,0,0,0,0|1,0,1]=4 790 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 F30395 [0,2,0,0,0,0|1,0,1]=4 791 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 C75280 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC6545 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 P10314 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.19 CS(=O)(=O)C1=NC=C(Cl)C=N1 31740 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.19 CS(=O)(=O)C1=NC=C(F)C=N1 C75846 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.19 CS(=O)(=O)C1=NC=C(O)C=C1 F51251 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.19 CS(=O)(=O)C1=NN=C(Cl)C=C1 25359 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W10955 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.19 O=S(=O)(Cl)C1=NC=C(Cl)C=C1 76275 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,2,0,0,0,0|0,0,0]=2 803 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,2,0,0,0,0|1,0,0]=3 804 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,2,0,0,0,0|1,0,0]=3 807 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,2,0,0,0,0|1,0,0]=3 808 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,2,0,0,0,0|1,0,0]=3 809 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,2,0,0,0,0|2,0,0]=4 814 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,2,0,0,0,0|1,0,0]=3 816 B11R1.21 CC1=C(Br)C=NC(N(C)C)=C1 CS1284 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 N14401 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y12663 [0,2,0,0,0,0|1,0,1]=4 819 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y13395 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=N1 P20043 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=N1 AC1635 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,2,0,0,0,0|1,0,0]=3 826 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,2,0,0,0,0|1,0,0]=3 827 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.21 NC(=O)C1=CC=C(F)C(Br)=N1 D79819 [0,2,0,0,0,0|1,0,0]=3 832 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,2,0,0,0,0|1,0,0]=3 833 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 37237 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [0,2,0,0,0,0|1,0,1]=4 837 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,2,0,0,0,0|1,0,0]=3 838 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,2,0,0,0,0|1,0,1]=4 846 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,2,0,0,0,0|0,0,0]=2 849 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,2,0,0,0,0|0,0,0]=2 850 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,2,0,0,0,0|1,0,0]=3 852 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,2,0,0,0,0|1,0,0]=3 853 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,2,0,0,0,0|1,0,0]=3 857 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,2,0,0,0,0|1,0,0]=3 858 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,2,0,0,0,0|1,0,0]=3 859 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,2,0,0,0,0|1,0,0]=3 860 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 26252 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11194 [0,2,0,0,0,0|1,0,1]=4 864 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12228 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12229 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12625 [0,2,0,0,0,0|1,0,1]=4 867 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,2,0,0,0,0|2,0,0]=4 868 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,2,0,0,0,0|0,0,0]=2 869 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,2,0,0,0,0|2,0,0]=4 871 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [0,2,0,0,0,0|0,0,0]=2 872 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,2,0,0,0,0|1,0,0]=3 875 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,2,0,0,0,0|0,0,0]=2 878 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,2,0,0,0,0|1,0,0]=3 879 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,2,0,0,0,0|0,0,0]=2 880 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,2,0,0,0,0|0,0,0]=2 884 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,2,0,0,0,0|0,0,0]=2 885 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,2,0,0,0,0|0,0,0]=2 886 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.166 CC1=CC(Cl)=CN=C1[N+](=O)[O-] C71757 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.166 CC1=CN=C(C(N)=O)C(=O)N1 W17787 [0,2,0,0,0,0|2,0,0]=4 891 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=N1 79345 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=N1 50880 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.166 C[C@H](N)C1=NC=C(Cl)C=C1F BL010225 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=N1 79310 [0,2,0,0,0,0|0,0,2]=4 895 B11R1.166 C[C@H](O)C1=NC=C(Cl)C=C1F BL010226 [0,2,0,0,0,0|0,0,2]=4 896 B11R1.166 N=C(N)C1=C(F)C=C(F)C=N1 86830 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [0,2,0,0,0,0|2,0,0]=4 899 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 RB3269 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F D79818 [0,2,0,0,0,0|1,0,0]=3 905 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F D79885 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.166 NC(=O)C1=NC=C(Cl)N=C1Cl E10195 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.166 NC(=O)C1=NN=C(Cl)C=C1Cl P20609 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.166 NC1=CC(Br)=CN=C1[N+](=O)[O-] 78716 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,2,0,0,0,0|1,0,0]=3 911 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,2,0,0,0,0|2,0,0]=4 912 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.166 O=C(O)C1=NC=C(Cl)NC1=O W17937 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.166 O=C([O-])C1=NN=C(Cl)C=C1Cl C11211 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.166 O=C1C=C(O)C(C(=O)O)=NN1 W19694 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(F)C=N1 D82394 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.166 O=[N+]([O-])C1=C(F)C=C(F)C=N1 D82393 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.166 O=[N+]([O-])C1=NC=C(Br)C=C1F P17358 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.166 O=[N+]([O-])C1=NC=C(F)C=C1O D70628 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.7 CC(C)(CN)C1=NC=CC=C1 D83381 [0,2,0,0,0,0|1,0,1]=4 924 B11R1.7 NCC(F)(F)C1=NC=CC=C1 C11454 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P10677 [0,2,0,0,0,0|1,0,1]=4 926 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P19948 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.7 OCC(F)(F)C1=NC=CC=C1 37503 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,2,0,0,0,0|0,0,0]=2 930 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,2,0,0,0,0|1,0,0]=3 932 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,2,0,0,0,0|1,0,1]=4 933 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,2,0,0,0,0|0,0,2]=4 935 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,2,0,0,0,0|0,0,0]=2 938 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,2,0,0,0,0|0,0,0]=2 939 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [0,2,0,0,0,0|1,0,1]=4 940 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [0,2,0,0,0,0|1,0,1]=4 941 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [0,2,0,0,0,0|1,0,1]=4 942 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,2,0,0,0,0|0,0,0]=2 944 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,2,0,0,0,0|0,0,1]=3 945 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,2,0,0,0,0|1,0,0]=3 946 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,2,0,0,0,0|1,0,0]=3 948 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,2,0,0,0,0|1,0,0]=3 952 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,2,0,0,0,0|1,0,0]=3 953 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,2,0,0,0,0|1,0,0]=3 955 B11R1.23 NNC(=O)C1=CC=CC(=O)N1 C77301 [0,2,0,0,0,0|1,0,1]=4 956 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 F13874 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12116 [0,2,0,0,0,0|1,0,1]=4 959 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12865 [0,2,0,0,0,0|1,0,1]=4 960 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,2,0,0,0,0|0,0,0]=2 962 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,2,0,0,0,0|1,0,1]=4 964 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,2,0,0,0,0|1,0,1]=4 965 B11R1.222 CC1=CC=CN=C1\C(N)=N\O W10706 [0,2,0,0,0,0|1,0,1]=4 966 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,2,0,0,0,0|0,0,0]=2 967 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,2,0,0,0,0|1,0,1]=4 968 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,2,0,0,0,0|1,0,0]=3 970 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W19004 [0,2,0,0,0,0|1,0,1]=4 978 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,2,0,0,0,0|2,0,0]=4 979 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,2,0,0,0,0|1,0,0]=3 980 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,2,0,0,0,0|1,0,0]=3 981 B11R1.87 CC1=CC=CN=C1S(=O)(=O)O C73655 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.87 CC1=CC=CN=C1S(N)(=O)=O F16161 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.87 CS(=O)(=O)C1=C(Br)C=CC=N1 D80464 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.87 CS(=O)(=O)C1=C(N)C=CC=C1 AC1456 [0,2,0,0,0,0|2,0,0]=4 985 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 54478 [0,2,0,0,0,0|1,0,1]=4 986 B11R1.155 CC(C)(C)C1=CC=CC(Cl)=N1 N11822 [0,2,0,0,0,0|1,0,1]=4 987 B11R1.155 CC(C)(C)C1=CC=CC(N)=N1 F30953 [0,2,0,0,0,0|1,0,1]=4 988 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 54297 [0,2,0,0,0,0|1,0,1]=4 989 B11R1.155 CC(C)(C)C1=NC=CC(O)=C1 F51926 [0,2,0,0,0,0|1,0,1]=4 990 B11R1.155 CC1=CC(S(=O)(=O)Cl)=NC=C1 27044 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.155 CC1=CC(S(=O)(=O)Cl)=NC=C1 55811 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.155 CS(=O)(=O)C1=CC(O)=CC=C1 A12065 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.155 CS(=O)(=O)C1=CC=CC(Cl)=C1 AC1312 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.155 CS(=O)(=O)C1=CC=NC(Cl)=N1 O10720 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.155 NC1=CC=CC(S(N)(=O)=O)=N1 C76427 [0,2,0,0,0,0|2,0,0]=4 996 B11R1.155 NS(=O)(=O)C1=CC=CC(Br)=N1 I11285 [0,2,0,0,0,0|2,0,0]=4 997 B11R1.155 NS(=O)(=O)C1=NC(F)=CC=C1 C14444 [0,2,0,0,0,0|2,0,0]=4 998 B11R1.155 O=S(=O)(Cl)C1=CC=CC(Br)=N1 76352 [0,2,0,0,0,0|2,0,0]=4 999 B11R1.155 O=S(=O)(Cl)C1=NC(Cl)=CC=C1 36740 [0,2,0,0,0,0|2,0,0]=4 1000 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [0,2,0,0,0,0|2,0,0]=4 1001 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,2,0,0,0,0|1,0,0]=3 1002 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,2,0,0,0,0|1,0,0]=3 1003 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,2,0,0,0,0|1,0,0]=3 1004 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,2,0,0,0,0|2,0,0]=4 1005 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [0,2,0,0,0,0|2,0,0]=4 1006 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,2,0,0,0,0|2,0,0]=4 1007 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,2,0,0,0,0|2,0,0]=4 1008 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=N1 D81046 [0,2,0,0,0,0|1,0,1]=4 1009 B11R1.53 N#CC1=CC=CN=C1C(=O)O 38302 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,2,0,0,0,0|2,0,0]=4 1011 B11R1.156 CC(=O)C1=C(Br)C=NC=C1F 88880 [0,2,0,0,0,0|2,0,0]=4 1012 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Br 55290 [0,2,0,0,0,0|2,0,0]=4 1013 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 72214 [0,2,0,0,0,0|2,0,0]=4 1014 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl FD10663 [0,2,0,0,0,0|2,0,0]=4 1015 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [0,2,0,0,0,0|1,0,0]=3 1016 B11R1.156 CC(=O)C1=C(F)C=CC=C1N C76841 [0,2,0,0,0,0|1,0,0]=3 1017 B11R1.156 CC(=O)C1=C(N)C=CN=C1Cl D83525 [0,2,0,0,0,0|2,0,0]=4 1018 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,2,0,0,0,0|1,0,0]=3 1019 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)Cl 30562 [0,2,0,0,0,0|2,0,0]=4 1020 B11R1.156 NC(=O)C1=C(I)C=CC=C1Cl 35383 [0,2,0,0,0,0|2,0,0]=4 1021 B11R1.156 NC1=CC=CC(I)=C1C(=O)O FD13014 [0,2,0,0,0,0|2,0,0]=4 1022 B11R1.156 O=C(Cl)C1=C(Br)C=CC=C1F CK1090 [0,2,0,0,0,0|2,0,0]=4 1023 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O C15718 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.156 O=C(O)C1=C(I)C=CC=C1Br 81858 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 F53540 [0,2,0,0,0,0|2,0,0]=4 1027 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,2,0,0,0,0|1,0,0]=3 1028 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,2,0,0,0,0|2,0,0]=4 1035 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 72793 [0,2,0,0,0,0|2,0,0]=4 1036 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 60023 [0,2,0,0,0,0|1,0,1]=4 1038 B11R1.159 CN1C(=O)C=CC=C1C(=O)O 26241 [0,2,0,0,0,0|1,0,1]=4 1039 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 58503 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F 36237 [0,2,0,0,0,0|2,0,0]=4 1041 B11R1.159 NC(=O)C1=CC=CC(Br)=C1N 26259 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.159 NC(=O)C1=CC=CC(F)=C1F A12174 [0,2,0,0,0,0|2,0,0]=4 1043 B11R1.159 NC(=O)C1=CC=CC(F)=C1N 35380 [0,2,0,0,0,0|2,0,0]=4 1044 B11R1.159 NC(=O)C1=CC=CC(N)=C1F C72490 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.159 NC1=C(Br)C=CN=C1[N+](=O)[O-] F13690 [0,2,0,0,0,0|2,0,0]=4 1046 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 36408 [0,2,0,0,0,0|1,0,1]=4 1047 B11R1.159 O=C(O)C1=CC=CC(=S)N1O W11623 [0,2,0,0,0,0|1,0,1]=4 1048 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,2,0,0,0,0|1,0,0]=3 1050 B11R1.159 O=[N+]([O-])C1=NC=CC(Br)=C1O D96885 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,2,0,0,0,0|1,0,0]=3 1052 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [0,2,0,0,0,0|0,0,0]=2 1053 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.167 CC(=O)C1=C(Br)C=NC(Cl)=C1 79385 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,2,0,0,0,0|1,0,0]=3 1056 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 27765 [0,2,0,0,0,0|1,0,0]=3 1057 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,2,0,0,0,0|1,0,0]=3 1058 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,2,0,0,0,0|1,0,0]=3 1059 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,2,0,0,0,0|1,0,0]=3 1063 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,2,0,0,0,0|1,0,0]=3 1067 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,2,0,0,0,0|1,0,0]=3 1070 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 66252 [0,2,0,0,0,0|2,0,0]=4 1071 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,2,0,0,0,0|1,0,0]=3 1072 B11R1.167 CC1=NC([N+](=O)[O-])=C(Br)C=C1 D92881 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.167 CN1C=CC(=O)C=C1C(=O)O W19341 [0,2,0,0,0,0|1,0,1]=4 1074 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=N1 F30972 [0,2,0,0,0,0|1,0,0]=3 1075 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=N1 81966 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.167 NC(=O)C1=C(N)N=CC(Cl)=N1 75746 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.167 NC(=O)C1=C(O)N=CC(Cl)=N1 83017 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl W18440 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 F31145 [0,2,0,0,0,0|1,0,0]=3 1080 B11R1.167 NC1=C(C(=O)O)N=C(Cl)N=C1 W17978 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.167 NC1=C([N+](=O)[O-])N=C(Cl)C=C1 D83528 [0,2,0,0,0,0|2,0,0]=4 1083 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 F31274 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=N1 C77121 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 C15823 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 FD13030 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.167 O=C(Cl)C1=C(O)C=CC(Cl)=C1 W16064 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 80162 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 O10988 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 85645 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,2,0,0,0,0|1,0,0]=3 1098 B11R1.74 CC(=O)C1=CC(Cl)=NC(C)=C1 90620 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 72212 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 D93344 [0,2,0,0,0,0|1,0,0]=3 1101 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,2,0,0,0,0|1,0,0]=3 1102 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,2,0,0,0,0|0,0,0]=2 1103 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,2,0,0,0,0|1,0,0]=3 1104 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,2,0,0,0,0|1,0,0]=3 1106 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,2,0,0,0,0|1,0,0]=3 1107 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.74 CC1=CC(O)=NC(C(C)C)=C1 C90501 [0,2,0,0,0,0|1,0,1]=4 1109 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 75580 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=C1 W15432 [0,2,0,0,0,0|2,0,0]=4 1111 B11R1.74 CN(C)C1=CC(Cl)=CC(Cl)=N1 F31158 [0,2,0,0,0,0|2,0,0]=4 1112 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=N1 D78983 [0,2,0,0,0,0|1,0,0]=3 1113 B11R1.74 NC(=O)C1=NC(Cl)=NC(Cl)=C1 D82358 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 O11188 [0,2,0,0,0,0|1,0,0]=3 1115 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 C71247 [0,2,0,0,0,0|1,0,0]=3 1116 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=N1 F53706 [0,2,0,0,0,0|1,0,0]=3 1117 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 F19693 [0,2,0,0,0,0|2,0,0]=4 1118 B11R1.74 O=[N+]([O-])C1=CC(Cl)=CC(Cl)=N1 36143 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.266 CC(=O)C1=CC(C#N)=NC=C1 29163 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 C73010 [0,2,0,0,0,0|0,0,0]=2 1122 B11R1.266 CC(=O)C1=NC(CO)=CC=C1 58596 [0,2,0,0,0,0|0,0,0]=2 1123 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 39139 [0,2,0,0,0,0|1,0,1]=4 1124 B11R1.266 CC(C)C1=NC=CC(C#N)=C1 F52586 [0,2,0,0,0,0|1,0,1]=4 1125 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,2,0,0,0,0|2,0,0]=4 1127 B11R1.266 CN(C)C1=CC=CC(CCl)=N1 C75051 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,2,0,0,0,0|1,0,0]=3 1129 B11R1.266 COC1=CC(C(=N)N)=NC=C1 67981 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.266 COC1=CC(C(=O)O)=NC=N1 P10129 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,2,0,0,0,0|0,0,0]=2 1132 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,2,0,0,0,0|1,0,0]=3 1133 B11R1.266 COC1=CC=NC(C(C)=O)=N1 D83386 [0,2,0,0,0,0|1,0,0]=3 1134 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 N11220 [0,2,0,0,0,0|1,0,1]=4 1136 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y14753 [0,2,0,0,0,0|1,0,1]=4 1137 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.266 COC1=NC=CC(C(C)=O)=N1 D85888 [0,2,0,0,0,0|1,0,0]=3 1140 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 24986 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 O11586 [0,2,0,0,0,0|1,0,0]=3 1142 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 C77669 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.266 N#CC1=CC=CC(C(N)=O)=N1 A10044 [0,2,0,0,0,0|1,0,0]=3 1144 B11R1.266 N#CC1=NC=CC(C(=O)O)=N1 AT19519 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 35878 [0,2,0,0,0,0|1,0,0]=3 1147 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 N13223 [0,2,0,0,0,0|1,0,0]=3 1149 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [0,0,1,1,0,0|1,0,1]=4 1150 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,0,1,1,0,0|0,0,2]=4 1151 B11R2.10 BrC1=CC2=C(N=CC=C2)N1 74877 [0,0,0,1,0,1|1,0,1]=4 1152 B11R2.10 BrC1=NC2=C(N=CC=C2)N1 P17806 [0,0,0,1,0,1|2,0,0]=4 1153 B11R2.10 BrC1=NC2=C(N=CC=C2)S1 27469 [0,0,0,1,0,1|2,0,0]=4 1154 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,1,0,1|1,0,1]=4 1155 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [0,0,0,1,0,1|1,0,0]=3 1156 B11R2.10 CC1=CN2C=CC=CC2=C1 AC8553 [0,0,0,1,0,1|1,0,1]=4 1157 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,0,0,1,0,1|1,0,0]=3 1158 B11R2.10 CC1=NC2=CNC=NC2=N1 F11876 [0,0,0,1,0,1|2,0,0]=4 1159 B11R2.10 ClC1=NC2=C(C=CC=N2)N1 27394 [0,0,0,1,0,1|2,0,0]=4 1160 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C73480 [0,0,0,1,0,1|1,0,1]=4 1161 B11R2.10 ClC1=NC2=C(C=CC=N2)S1 25924 [0,0,0,1,0,1|1,1,0]=4 1162 B11R2.10 ClC1=NC2=C(N=CC=C2)S1 27102 [0,0,0,1,0,1|2,0,0]=4 1163 B11R2.10 NC1=NC2=C(C=CC=N2)S1 P11220 [0,0,0,1,0,1|1,1,0]=4 1164 B11R2.10 NC1=NC2=CC=CN=C2O1 F13374 [0,0,0,1,0,1|2,0,0]=4 1165 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,1,0,1|2,0,0]=4 1166 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [0,0,0,1,0,1|0,0,1]=3 1167 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,1,0,1|1,0,0]=3 1168 B11R2.10 O=C1NC2=C(N=CC=N2)N1 D83988 [0,0,0,1,0,1|2,0,0]=4 1169 B11R2.10 S=C1NC2=C(N=CC=C2)O1 AC7981 [0,0,0,1,0,1|1,1,0]=4 1170 B11R2.10 SC1=NC2=C(C=CC=N2)N1 S11897 [0,0,0,1,0,1|1,1,0]=4 1171 B11R2.34 BrC1=CN=C(C2CC2)C=C1 82181 [0,1,0,1,0,0|1,0,1]=4 1172 B11R2.34 NC1=CN=C(C2CC2)C=C1 C71516 [0,1,0,1,0,0|1,0,1]=4 1173 B11R2.1 BrC1=CNC2=CC=CN=C12 57032 [0,1,0,1,0,0|1,0,1]=4 1174 B11R2.1 BrC1=CSC2=CC=CN=C12 P11256 [0,1,0,1,0,0|1,0,1]=4 1175 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,1,0,1,0,0|2,0,0]=4 1176 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,1,0,1,0,0|2,0,0]=4 1177 B11R2.1 CC1=CNC2=CC=CN=C12 F13594 [0,1,0,1,0,0|1,0,0]=3 1178 B11R2.1 CC1=CSC2=C1N=CN=C2 54119 [0,1,0,1,0,0|1,1,0]=4 1179 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [0,1,0,1,0,0|2,0,0]=4 1180 B11R2.1 CN1C=CC2=CC=CN=C21 24845 [0,1,0,1,0,0|2,0,0]=4 1181 B11R2.1 CN1N=CC2=CC=CN=C21 Y13575 [0,1,0,1,0,0|2,0,0]=4 1182 B11R2.1 ClC1=NOC2=CC=CN=C21 C73392 [0,1,0,1,0,0|1,0,1]=4 1183 B11R2.1 IC1=NNC2=CC=CN=C21 37475 [0,1,0,1,0,0|2,0,0]=4 1184 B11R2.1 NC1=C2N=CC=CC2=NS1 F14138 [0,1,0,1,0,0|1,1,0]=4 1185 B11R2.1 NC1=CSC2=C1N=CC=C2 D79718 [0,1,0,1,0,0|1,0,1]=4 1186 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,1,0,1,0,0|2,0,0]=4 1187 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,1,0,1,0,0|1,0,1]=4 1188 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,1,0,1,0,0|1,0,1]=4 1189 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,1,0,1,0,0|2,0,0]=4 1190 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,1,0,1,0,0|2,0,0]=4 1191 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,1,0,1,0,0|2,0,0]=4 1192 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,1,0,1,0,0|2,0,0]=4 1193 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,1,0,1,0,0|1,0,0]=3 1194 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,1,0,1,0,0|2,0,0]=4 1195 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,1,0,1,0,0|2,0,0]=4 1196 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,1,0,1,0,0|2,0,0]=4 1197 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,1,0,1,0,0|1,0,1]=4 1198 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,1,0,1,0,0|0,0,0]=2 1199 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,1,0,1,0,0|1,0,0]=3 1200 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,1,0,1,0,0|1,0,0]=3 1201 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,1,0,1,0,0|1,0,0]=3 1202 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,1,0,1,0,0|0,0,2]=4 1203 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,1,0,1,0,0|0,0,2]=4 1204 B11R2.40 NC1(C2=NC=CC=C2)CC1 59909 [0,1,0,1,0,0|1,0,1]=4 1205 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [0,1,0,1,0,0|1,0,1]=4 1206 B11R2.55 BrC1=C(C2CC2)N=CC=C1 AC7391 [0,1,0,1,0,0|1,0,1]=4 1207 B11R2.35 BrC1=CC(C2CC2)=NC=C1 84229 [0,1,0,1,0,0|1,0,1]=4 1208 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,1,0|1,0,1]=4 1209 B7R1.1 C=CC1=NNC=C1 P13173 [1,0,0,0,1,0|1,0,1]=4 1210 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,1,0|2,0,0]=4 1211 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,1,0|2,0,0]=4 1212 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,1,0|2,0,0]=4 1213 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,1,0|2,0,0]=4 1214 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,1,0|2,0,0]=4 1215 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,1,0|2,0,0]=4 1216 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,1,0|2,0,0]=4 1217 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,1,0|2,0,0]=4 1218 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,1,0|1,0,0]=3 1219 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,0,1,0|2,0,0]=4 1220 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,0,1,0|0,0,1]=3 1221 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,1,0|2,0,0]=4 1222 B7R1.1 O=CC1=CNN=N1 F13257 [1,0,0,0,1,0|2,0,0]=4 1223 B7R1.1 O=CC1=CON=C1 95893 [1,0,0,0,1,0|2,0,0]=4 1224 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,0,1,0|1,0,0]=3 1225 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,2|1,0,0]=3 1226 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,2|2,0,0]=4 1227 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,0,0,0,2|1,0,0]=3 1228 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,0,2|1,0,0]=3 1229 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [0,0,0,0,0,2|2,0,0]=4 1230 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,2|2,0,0]=4 1231 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,2|2,0,0]=4