0 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,0,0|2,0,0]=2 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](Cl)C1=NC=CC=C1 F13294 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,0,0|0,0,2]=2 23 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 N=C(N)C1=NC=CC=N1 D74674 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.2 BrCC1=NC=CN=C1 31757 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.2 C#CC1=NC=CN=C1 P11646 [1,0,0,0,0,0|0,0,2]=3 36 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 CNC1=CN=CN=C1 Y10181 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CNC1=CN=NC=C1 A10648 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 CNC1=NC=NC=C1 W10133 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 COC1=NC=NC=C1 T72699 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 ClCC1=NC=CN=C1 37060 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.2 N#CC1=NC=CC=C1 D77869 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 NCC1=NC=CN=C1 67569 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 NNC1=CC=CN=C1 S12141 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 O=CC1=NC=NC=C1 26359 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.2 SCC1=CN=CC=C1 F18343 [1,0,0,0,0,0|1,1,1]=4 47 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,0,0,0|1,1,1]=4 48 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,0|0,0,0]=1 54 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,1,0,0,0,0|0,0,0]=1 57 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,1,0,0,0,0|2,0,1]=4 61 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,1,0,0,0,0|1,0,1]=3 65 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [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|1,0,1]=3 67 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [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 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,1,0,0,0,0|2,0,1]=4 88 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,1,0,0,0,0|1,0,2]=4 91 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,1,0,0,0,0|1,0,2]=4 92 B10R1.13 C[S@](=O)C1=NC=C(Br)C=N1 O11358 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 37719 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.13 N=C(N)C1=NC=C(F)C=C1 38084 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 NC(=O)C1=CN=C(O)N=C1 F13438 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 NC(=O)C1=NC=C(N)C=N1 30495 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.13 NC1=CN=C(C(F)F)C=N1 D84905 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.13 NC1=CN=C([N+](=O)[O-])C=C1 26771 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 O=[N+]([O-])C1=CN=C(I)C=C1 T72219 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,1,0,0,0,0|0,0,0]=1 116 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.15 NNC(=O)C1=CN=CN=C1 F18165 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,1,0,0,0,0|0,0,0]=1 136 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.28 CS(=O)(=O)C1=NC=CC=N1 O10532 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.28 C[Sn](C)(C)C1=NC=CC=C1 T71744 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.28 O=S(=O)(Cl)C1=NC=CC=C1 F14522 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,1,0,0,0,0|1,0,1]=3 168 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C76767 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,1,0,0,0,0|1,0,2]=4 179 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,1,0,0,0,0|1,0,2]=4 190 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,1,0,0,0,0|1,0,2]=4 191 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.61 N=C(N)C1=C(F)C=CC=N1 90259 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.61 NC(=O)C1=C(O)N=CN=C1 Y11131 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,0,0|1,0,0]=2 202 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 I10226 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,0|1,0,0]=2 216 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,0|0,0,0]=1 217 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,0,0|1,0,2]=4 232 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,0,0|1,0,2]=4 235 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 CN(C)C1=NC=CC(Br)=C1 26905 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,1,0,0,0,0|1,0,2]=4 264 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,1,0,0,0,0|2,0,1]=4 265 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,0,0|3,0,0]=4 266 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.113 NC(=S)C1=CN=CC(F)=C1 W11938 [0,1,0,0,0,0|2,1,0]=4 274 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 CS1209 [0,1,0,0,0,0|3,0,0]=4 277 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,0|1,0,0]=2 284 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 BL000528 [0,1,0,0,0,0|3,0,0]=4 286 B10R1.113 O=[N+]([O-])C1=CN=CC(O)=C1 26591 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 C77097 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 C76921 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 H10537 [0,1,0,0,0,0|3,0,0]=4 290 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,1,0,0|2,0,0]=3 291 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,1,0|1,0,0]=2 292 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,1,0|1,0,0]=2 293 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,1,0|1,0,0]=2 294 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,1,0|1,0,0]=2 295 B8R1.7 CC(=O)C1=CN=NS1 66662 [0,0,0,0,1,0|2,0,0]=3 296 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,0,0,0,1,0|1,0,0]=2 297 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,1,0|1,0,0]=2 298 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,1,0|1,0,0]=2 299 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,1,0|2,0,1]=4 300 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,0,0,0,1,0|1,0,2]=4 301 B8R1.7 CC(C)C1=CNN=C1 D78878 [0,0,0,0,1,0|2,0,1]=4 302 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,0,0,0,1,0|3,0,0]=4 303 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,1,0|2,0,1]=4 304 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,1,0|2,0,1]=4 305 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,0,0,0,1,0|2,0,1]=4 306 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,0,0,0,1,0|2,0,1]=4 307 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,0,0,0,1,0|2,0,1]=4 308 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,0,0,0,1,0|2,0,1]=4 309 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,0,0,0,1,0|2,0,1]=4 310 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,0,0,0,1,0|2,0,1]=4 311 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,0,0,0,1,0|1,0,2]=4 312 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [0,0,0,0,1,0|2,0,1]=4 313 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,0,0,0,1,0|2,0,1]=4 314 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,0,0,0,1,0|2,0,1]=4 315 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,0,0,0,1,0|1,0,2]=4 316 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,0,0,0,1,0|2,0,1]=4 317 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,0,0,0,1,0|2,0,1]=4 318 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,0,0,0,1,0|2,0,1]=4 319 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,0,0,0,1,0|2,0,1]=4 320 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,0,0,0,1,0|2,0,1]=4 321 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,0,0,0,1,0|2,0,1]=4 322 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [0,0,0,0,1,0|1,0,2]=4 323 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,0,0,0,1,0|0,0,3]=4 324 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,0,0,0,1,0|1,0,2]=4 325 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,0,0,0,1,0|1,0,2]=4 326 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,0,0,0,1,0|3,0,0]=4 327 B8R1.7 N=C(N)C1=NC=CN1 P15305 [0,0,0,0,1,0|2,0,1]=4 328 B8R1.7 N=C(N)C1=NC=CN1 P19492 [0,0,0,0,1,0|2,0,1]=4 329 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,0,1,0|2,0,0]=3 330 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.7 NC(=O)C1=COC=N1 35847 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,0,0,0,1,0|2,0,0]=3 335 B8R1.7 NC(=S)C1=COC=N1 24414 [0,0,0,0,1,0|2,1,0]=4 336 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [0,0,0,0,1,0|2,0,0]=3 337 B8R1.7 O=C(O)C1=CN=NN1 28556 [0,0,0,0,1,0|2,0,1]=4 338 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,0,1,0|2,0,0]=3 339 B8R1.7 O=C(O)C1=NN=NN1 F19598 [0,0,0,0,1,0|3,0,0]=4 340 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,0,0,0,1,0|2,0,0]=3 341 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,0,0,0,1,0|2,0,0]=3 342 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,0,1,0|2,0,0]=3 343 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,0,0,0,1,0|2,0,0]=3 344 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,0,0,0,1,0|2,0,1]=4 345 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,0,0,0,1,0|2,0,1]=4 346 B8R1.7 O=[N+]([O-])C1=CNN=C1 27362 [0,0,0,0,1,0|3,0,0]=4 347 B8R1.7 O=[N+]([O-])C1=CON=C1 27176 [0,0,0,0,1,0|3,0,0]=4 348 B8R1.7 O=[N+]([O-])C1=CSN=C1 64650 [0,0,0,0,1,0|3,0,0]=4 349 B8R1.7 O=[N+]([O-])C1=NNN=C1 P20596 [0,0,0,0,1,0|3,0,0]=4 350 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,1|1,0,0]=2 351 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,0,1|2,0,0]=3 352 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,0,0,0,0,1|2,0,1]=4 353 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,0,1|3,0,0]=4 354 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,0,0,0,0,1|1,0,0]=2 355 B10R1.18 NC(=S)NC1=NC=CN=C1 W13133 [0,0,0,0,0,1|1,1,0]=3 356 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,0,0,0,0,1|3,0,0]=4 357 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [0,0,0,0,0,1|3,0,0]=4 358 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [0,0,0,0,0,1|3,0,0]=4 359 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|2,0,0]=4 360 B7R1.3 CC1=NC=CN=N1 C74235 [2,0,0,0,0,0|1,0,0]=3 361 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|2,0,0]=4 362 B7R1.3 O=C1C=CNN=C1 D87946 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 SC1=NC=CN=C1 F16108 [2,0,0,0,0,0|0,1,0]=3 364 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [1,1,0,0,0,0|0,0,2]=4 366 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [1,1,0,0,0,0|1,0,1]=4 368 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,1,0,0,0,0|0,0,0]=2 369 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.1 CC1=CN=C(CO)C=N1 26144 [1,1,0,0,0,0|0,0,2]=4 372 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,1,0,0,0,0|0,0,1]=3 375 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,1,0,0,0,0|1,0,1]=4 376 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,1,0,0,0,0|1,0,1]=4 377 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,1,0,0,0,0|1,0,1]=4 378 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.1 COC1=NC=C(N)N=C1 24331 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,1,0,0,0,0|0,0,0]=2 387 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [1,1,0,0,0,0|1,0,1]=4 389 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,1,0,0,0,0|0,0,0]=2 404 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,1,0,0,0,0|0,0,1]=3 407 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.2 CNC1=NC(C)=CN=C1 74811 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.2 CNC1=NC=CC(N)=C1 27435 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.2 COC1=NC(N)=CN=C1 24364 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,1,0,0,0,0|0,0,0]=2 424 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [1,1,0,0,0,0|0,0,2]=4 428 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.8 N#CCC1=NC=CN=C1 50051 [1,1,0,0,0,0|0,0,2]=4 430 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,1,0,0,0,0|0,0,1]=3 431 B9R1.8 NNCC1=NC=CN=C1 37235 [1,1,0,0,0,0|1,0,1]=4 432 B9R1.15 C#CC1=NC=CN=C1C 79091 [1,1,0,0,0,0|0,0,2]=4 433 B9R1.15 C=CC1=CC=CN=C1Br 83953 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.15 C=CC1=CC=CN=C1C P11579 [1,1,0,0,0,0|1,0,1]=4 435 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,1,0,0,0,0|0,0,0]=2 436 B9R1.15 CC1=NC=CN=C1CCl P11784 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.15 CC1=NC=CN=C1CN E70300 [1,1,0,0,0,0|1,0,1]=4 438 B9R1.15 CC1=NC=CN=C1CN P19746 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.15 CC1=NC=CN=C1CO P10784 [1,1,0,0,0,0|0,0,2]=4 440 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.15 CCC1=CC=CN=C1N 55791 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,1,0,0,0,0|0,0,1]=3 447 B9R1.15 CCC1=NC=CNC1=O S12194 [1,1,0,0,0,0|0,0,2]=4 448 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.15 CNC1=CC=CN=C1N 94808 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.15 CNC1=NC=CC=C1N 72351 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.15 CNC1=NC=CN=C1N 25161 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.15 COC1=NC=CC=C1C C73664 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.15 COC1=NC=CN=C1Br 27717 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.15 NC1=C(C=O)C=NC=N1 66183 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.15 NC1=CC=CN=C1C=O 80155 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,1,0,0,0,0|0,0,0]=2 463 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,1,0,0,0,0|0,0,0]=2 468 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,1,0,0,0,0|0,0,0]=2 469 B9R1.15 OCC1=NC=CN=C1Cl 80497 [1,1,0,0,0,0|0,0,2]=4 470 B9R1.11 CCC(=O)C1=CNC=N1 D93407 [0,1,0,0,1,0|0,0,1]=3 471 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,1,0,0,1,0|1,0,0]=3 472 B9R1.11 CCC(=O)C1=NC=CS1 F53520 [0,1,0,0,1,0|1,0,0]=3 473 B9R1.11 CNC(=O)C1=CN=CN1 P16942 [0,1,0,0,1,0|0,0,1]=3 474 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,1,0,0,1,0|1,0,0]=3 475 B9R1.11 COC(=O)C1=COC=N1 22956 [0,1,0,0,1,0|1,0,0]=3 476 B9R1.11 COC(=O)C1=CSN=N1 W15897 [0,1,0,0,1,0|2,0,0]=4 477 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,1,0,0,1,0|1,0,0]=3 478 B9R1.11 NNC(=O)C1=CN=CO1 D79940 [0,1,0,0,1,0|2,0,0]=4 479 B9R1.11 NNC(=O)C1=CN=CS1 D79739 [0,1,0,0,1,0|2,0,0]=4 480 B9R1.11 NNC(=O)C1=NC=CS1 78397 [0,1,0,0,1,0|2,0,0]=4 481 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,0,1,0|1,0,0]=3 482 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,0,1,0|1,0,0]=3 483 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,1,0,0,1,0|1,0,1]=4 484 B9R1.35 CC(=O)C1=CN=C(Cl)S1 F13142 [0,1,0,0,1,0|1,0,0]=3 485 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,1,0|0,0,1]=3 486 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,1,0,0,1,0|1,0,0]=3 487 B9R1.35 CC(=O)C1=CSC(Br)=N1 51523 [0,1,0,0,1,0|1,0,0]=3 488 B9R1.35 CC(=O)C1=CSC(C)=N1 A12305 [0,1,0,0,1,0|1,0,0]=3 489 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,1,0,0,1,0|1,0,0]=3 490 B9R1.35 CC(=O)C1=CSC(N)=N1 35110 [0,1,0,0,1,0|1,0,0]=3 491 B9R1.35 CC(=O)C1=NC(Br)=CS1 C15281 [0,1,0,0,1,0|1,0,0]=3 492 B9R1.35 CC(=O)C1=NC(C)=CO1 36487 [0,1,0,0,1,0|1,0,0]=3 493 B9R1.35 CC(=O)C1=NC=C(Br)S1 P10802 [0,1,0,0,1,0|1,0,0]=3 494 B9R1.35 CC(=O)C1=NC=C(C)S1 78720 [0,1,0,0,1,0|1,0,0]=3 495 B9R1.35 CC(=O)C1=NC=C(Cl)S1 P10801 [0,1,0,0,1,0|1,0,0]=3 496 B9R1.35 CC(=O)C1=NN(C)C=C1 P10302 [0,1,0,0,1,0|1,0,0]=3 497 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,1,0,0,1,0|1,0,0]=3 498 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,1,0,0,1,0|1,0,0]=3 499 B9R1.35 CC(=O)C1=NOC(N)=C1 88477 [0,1,0,0,1,0|1,0,0]=3 500 B9R1.35 CC(=O)N1C=CC(=O)N1 C76740 [0,1,0,0,1,0|1,0,1]=4 501 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,0,1,0|2,0,0]=4 502 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,1,0,0,1,0|2,0,0]=4 503 B9R1.35 CC1=CN=C(C(=O)[O-])O1 P15538 [0,1,0,0,1,0|2,0,0]=4 504 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,0,1,0|1,0,1]=4 505 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,0,1,0|1,0,1]=4 506 B9R1.35 CC1=NC(C(N)=O)=CO1 D72598 [0,1,0,0,1,0|2,0,0]=4 507 B9R1.35 CC1=NC(C(N)=O)=CS1 F19208 [0,1,0,0,1,0|2,0,0]=4 508 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,0,1,0|2,0,0]=4 509 B9R1.35 CC1=NOC(C(=O)[O-])=N1 80103 [0,1,0,0,1,0|2,0,0]=4 510 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,0,1,0|1,0,1]=4 511 B9R1.35 CN1C=CC(C(N)=O)=N1 Y10580 [0,1,0,0,1,0|2,0,0]=4 512 B9R1.35 CN1C=NC(C(=O)O)=N1 72561 [0,1,0,0,1,0|2,0,0]=4 513 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,1,0,0,1,0|1,0,1]=4 514 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,1,0,0,1,0|2,0,0]=4 515 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,1,0,0,1,0|1,0,1]=4 516 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,1,0,0,1,0|2,0,0]=4 517 B9R1.35 NC(=O)C1=CN=C(Br)S1 S10763 [0,1,0,0,1,0|2,0,0]=4 518 B9R1.35 NC(=O)C1=COC(Cl)=N1 D94445 [0,1,0,0,1,0|2,0,0]=4 519 B9R1.35 NC(=O)C1=NC(Br)=CN1 D94566 [0,1,0,0,1,0|1,0,1]=4 520 B9R1.35 NC(=O)C1=NNC(N)=N1 C13657 [0,1,0,0,1,0|2,0,0]=4 521 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,1,0,0,1,0|1,0,1]=4 522 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,1,0,0,1,0|1,0,1]=4 523 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,1,0,0,1,0|1,0,1]=4 524 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,1,0,0,1,0|2,0,0]=4 525 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,1,0,0,1,0|2,0,0]=4 526 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,1,0,0,1,0|2,0,0]=4 527 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,1,0,0,1,0|2,0,0]=4 528 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,1,0,0,1,0|2,0,0]=4 529 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,1,0,0,1,0|2,0,0]=4 530 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,1,0,0,1,0|1,0,1]=4 531 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,0,1,0|2,0,0]=4 532 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,0,1,0|2,0,0]=4 533 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,1,0,0,1,0|1,0,1]=4 534 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,1,0,0,1,0|2,0,0]=4 535 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,1,0,0,1,0|2,0,0]=4 536 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,1,0,0,1,0|2,0,0]=4 537 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,1,0,0,1,0|2,0,0]=4 538 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,1,0,0,1,0|2,0,0]=4 539 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,1,0,0,1,0|2,0,0]=4 540 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,1,0,0,1,0|2,0,0]=4 541 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,1,0,0,1,0|2,0,0]=4 542 B9R1.41 CC(=O)C1=C(C)SC=N1 C72473 [0,1,0,0,1,0|1,0,0]=3 543 B9R1.41 CC(=O)C1=CN=CN1C W13364 [0,1,0,0,1,0|0,0,1]=3 544 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,0,1,0|0,0,1]=3 545 B9R1.41 CC(=O)C1=NC=CN1C 38319 [0,1,0,0,1,0|0,0,1]=3 546 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,0,1,0|1,0,1]=4 547 B9R1.41 CN1C=NC=C1C(=O)Cl 64255 [0,1,0,0,1,0|1,0,1]=4 548 B9R1.41 CN1N=CC=C1C(=O)Cl 79490 [0,1,0,0,1,0|2,0,0]=4 549 B9R1.41 CN1N=CC=C1C(N)=O D86182 [0,1,0,0,1,0|2,0,0]=4 550 B9R1.41 CN1N=CN=C1C(=O)O 72096 [0,1,0,0,1,0|2,0,0]=4 551 B9R1.41 NC(=O)C1=C(N)C=NN1 54585 [0,1,0,0,1,0|2,0,0]=4 552 B9R1.41 NC(=O)C1=C(N)NC=N1 C13072 [0,1,0,0,1,0|1,0,1]=4 553 B9R1.41 NC(=O)C1=C(N)SC=N1 SC3371 [0,1,0,0,1,0|2,0,0]=4 554 B9R1.41 NC(=O)C1=C(N)SN=C1 80982 [0,1,0,0,1,0|2,0,0]=4 555 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,1,0,0,1,0|1,0,1]=4 556 B9R1.41 NC(=O)C1=CN=CN1N P18323 [0,1,0,0,1,0|1,0,1]=4 557 B9R1.41 NC(=O)C1=CNN=C1N S11494 [0,1,0,0,1,0|2,0,0]=4 558 B9R1.41 NC(=O)C1=NNC=C1Br 25218 [0,1,0,0,1,0|2,0,0]=4 559 B9R1.41 NC(=O)C1=NSN=C1N C76987 [0,1,0,0,1,0|2,0,0]=4 560 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,1,0,0,1,0|1,0,1]=4 561 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,1,0,0,1,0|2,0,0]=4 562 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,1,0,0,1,0|2,0,0]=4 563 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,1,0,0,1,0|1,0,1]=4 564 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [0,1,0,0,1,0|2,0,0]=4 565 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,1,0,0,1,0|2,0,0]=4 566 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,1,0,0,1,0|2,0,0]=4 567 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,1,0,0,1,0|2,0,0]=4 568 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,1,0,0,1,0|1,0,1]=4 569 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,1,0,0,1,0|2,0,0]=4 570 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,1,0,0,1,0|2,0,0]=4 571 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,1,0,0,1,0|2,0,0]=4 572 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,1,0,0,1,0|2,0,0]=4 573 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 C12628 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.20 CC(=O)NC1=NN=C(Cl)C=C1 F52718 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,1,0,0,0,1|1,0,0]=3 591 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.86 CC1=NC=CN=C1OC(C)C T73088 [0,1,0,0,0,1|1,0,1]=4 601 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,1,0,0,0,1|1,0,0]=3 605 B11R1.86 O=C([O-])CC1=C(Cl)C=CC=N1 27510 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.86 O=C([O-])CC1=C(F)C=CC=N1 98377 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl P15537 [0,1,0,0,0,1|1,0,0]=3 608 B11R1.157 CC(=O)NC1=CC(Cl)=NC=N1 79548 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [0,1,0,0,0,1|1,0,0]=3 611 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,1,0,0,0,1|1,0,0]=3 623 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 C77133 [0,2,0,0,0,0|0,0,0]=2 629 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.3 CCC1=NC=C(C(C)=O)C=N1 D81149 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,2,0,0,0,0|0,0,0]=2 633 B11R1.3 COC1=CN=C(C(C)=O)N=C1 97279 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.3 COC1=NC=C(C(C)=O)C=N1 C71224 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 O11418 [0,2,0,0,0,0|1,0,0]=3 636 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 A10669 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,2,0,0,0,0|2,0,0]=4 641 B11R1.19 CS(=O)(=O)C1=CN=C(Cl)C=C1 91182 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.19 CS(=O)(=O)C1=NC=C(Br)C=C1 P10314 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.19 CS(=O)(=O)C1=NC=C(O)C=C1 F51251 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,2,0,0,0,0|1,0,1]=4 655 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.21 NC(=O)C1=CC=C(F)C(Br)=N1 D79819 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.21 NC(=O)C1=CN=C(Br)C(Cl)=C1 W18383 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 37237 [0,2,0,0,0,0|1,0,0]=3 674 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,2,0,0,0,0|1,0,0]=3 684 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,2,0,0,0,0|2,0,0]=4 690 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 26252 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,2,0,0,0,0|1,0,0]=3 702 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.166 CC(=O)C1=C(Cl)N=C(Cl)N=C1 85285 [0,2,0,0,0,0|2,0,0]=4 713 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,2,0,0,0,0|1,0,1]=4 724 B11R1.166 CC1=CN=C(C(N)=O)C(=O)N1 W17787 [0,2,0,0,0,0|1,0,1]=4 725 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br 24900 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 RB3269 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.166 NC(=O)C1=C(O)N=C(O)C=C1 95017 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.166 NC(=O)C1=CC=C(N)N=C1F F20207 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F D79818 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F D79885 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.166 NC(=O)C1=NC=C(Cl)N=C1Cl E10195 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [0,2,0,0,0,0|2,0,0]=4 745 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [0,2,0,0,0,0|2,0,0]=4 746 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.166 O=C(O)C1=NC=C(Cl)NC1=O W17937 [0,2,0,0,0,0|1,0,1]=4 749 B11R1.7 C[C@@](N)(C#N)C1=NC=CN=C1 W16396 [0,2,0,0,0,0|1,0,1]=4 750 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.16 CCOC(=O)C1=NN=CC=N1 67096 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,2,0,0,0,0|1,0,0]=3 758 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [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|1,0,0]=3 761 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,2,0,0,0,0|0,0,0]=2 765 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,2,0,0,0,0|2,0,0]=4 767 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 F13874 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,2,0,0,0,0|1,0,1]=4 778 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,2,0,0,0,0|0,0,0]=2 779 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,2,0,0,0,0|0,0,0]=2 787 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,2,0,0,0,0|0,0,0]=2 788 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,2,0,0,0,0|1,0,0]=3 790 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.87 CS(=O)(=O)C1=C(Br)C=CC=N1 D80464 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.87 CS(=O)(=O)C1=C(N)N=CC=C1 W19350 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.87 CS(=O)(=O)C1=CC=CN=C1Cl 37543 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.155 CS(=O)(=O)C1=CC(Br)=CN=C1 91183 [0,2,0,0,0,0|2,0,0]=4 796 B11R1.155 CS(=O)(=O)C1=CN=CC(N)=C1 W17114 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.53 C=C(C)C1=CC=CN=C1C#N D81130 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,2,0,0,0,0|1,0,0]=3 804 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,2,0,0,0,0|1,0,0]=3 806 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 O10763 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 38303 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.53 N#CC1=CC=CN=C1C(=O)O 38302 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Br 55290 [0,2,0,0,0,0|1,0,0]=3 810 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 72214 [0,2,0,0,0,0|1,0,0]=3 811 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.156 CC(=O)C1=C(F)C=CC=C1N C76841 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.156 CC(=O)C1=C(N)C=CN=C1Cl D83525 [0,2,0,0,0,0|1,0,0]=3 814 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 H10306 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 57354 [0,2,0,0,0,0|2,0,0]=4 817 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 81867 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.156 CC1=CC=NC(N)=C1C(=O)O H10318 [0,2,0,0,0,0|2,0,0]=4 819 B11R1.156 NC1=C(C(=O)O)C(Br)=NC=C1 O11151 [0,2,0,0,0,0|2,0,0]=4 820 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 86987 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O 36262 [0,2,0,0,0,0|2,0,0]=4 822 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Br D83260 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Cl 55292 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F 79053 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.156 O=C(O)C1=C(O)C=CN=C1Br D94451 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 58503 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.159 NC(=O)C1=CN=CC(Cl)=C1Cl F20288 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,2,0,0,0,0|2,0,0]=4 845 B11R1.167 CC(=O)C1=C(C)C=NC(Cl)=N1 27765 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,2,0,0,0,0|1,0,0]=3 851 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,2,0,0,0,0|0,0,0]=2 852 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,2,0,0,0,0|0,0,0]=2 853 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 W13512 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,2,0,0,0,0|2,0,0]=4 855 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,2,0,0,0,0|2,0,0]=4 856 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,2,0,0,0,0|2,0,0]=4 857 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,2,0,0,0,0|2,0,0]=4 858 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,2,0,0,0,0|2,0,0]=4 859 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,2,0,0,0,0|2,0,0]=4 864 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,2,0,0,0,0|2,0,0]=4 865 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,2,0,0,0,0|2,0,0]=4 866 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=N1 F30972 [0,2,0,0,0,0|2,0,0]=4 867 B11R1.167 NC(=O)C1=C(N)N=CC(Br)=N1 81966 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.167 NC(=O)C1=C(N)N=CC(Cl)=N1 75746 [0,2,0,0,0,0|1,0,0]=3 869 B11R1.167 NC(=O)C1=C(O)N=CC(Cl)=N1 83017 [0,2,0,0,0,0|1,0,0]=3 870 B11R1.167 NC(=O)C1=NC(Cl)=CN=C1Cl W18440 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 F31145 [0,2,0,0,0,0|2,0,0]=4 872 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [0,2,0,0,0,0|1,0,0]=3 873 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 F31274 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,2,0,0,0,0|2,0,0]=4 876 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 80162 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 O10988 [0,2,0,0,0,0|2,0,0]=4 878 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 85645 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [0,2,0,0,0,0|1,0,0]=3 886 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,2,0,0,0,0|2,0,0]=4 888 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 D93344 [0,2,0,0,0,0|2,0,0]=4 889 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,2,0,0,0,0|2,0,0]=4 890 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,2,0,0,0,0|1,0,0]=3 891 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,2,0,0,0,0|2,0,0]=4 892 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,2,0,0,0,0|2,0,0]=4 893 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,2,0,0,0,0|2,0,0]=4 894 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=N1 D78983 [0,2,0,0,0,0|2,0,0]=4 895 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 O11188 [0,2,0,0,0,0|2,0,0]=4 896 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 C71247 [0,2,0,0,0,0|2,0,0]=4 897 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=N1 F53706 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 C73010 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.266 CC(=O)C1=NC(CO)=CC=C1 58596 [0,2,0,0,0,0|1,0,0]=3 900 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,2,0,0,0,0|2,0,0]=4 901 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,2,0,0,0,0|2,0,0]=4 904 B11R1.266 COC1=CC=NC(C(C)=O)=N1 D83386 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.266 COC1=NC=CC(C(C)=O)=N1 D85888 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 O11586 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.266 N#CC1=CC=CC(C(N)=O)=N1 A10044 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 35878 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 N13223 [0,2,0,0,0,0|2,0,0]=4 911 B11R2.10 CC1=CC2=C(C=CN=C2)N1 36232 [0,0,0,1,0,1|2,0,0]=4 912 B11R2.10 CC1=CC2=C(C=NC=C2)N1 64428 [0,0,0,1,0,1|2,0,0]=4 913 B11R2.10 CC1=CC2=NC=CC=C2N1 27734 [0,0,0,1,0,1|2,0,0]=4 914 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [0,0,0,1,0,1|1,0,1]=4 915 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,0,0,1,0,1|1,0,1]=4 916 B11R2.10 ClC1=NC2=C(N=CC=N2)S1 C71625 [0,0,0,1,0,1|1,1,0]=4 917 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,1,0,1|2,0,0]=4 918 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [0,0,0,1,0,1|1,0,1]=4 919 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,1,0,1|2,0,0]=4 920 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,1,0,1|2,0,0]=4 921 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,1,0,1|2,0,0]=4 922 B11R2.10 O=C1NC2=C(N=CC=N2)N1 D83988 [0,0,0,1,0,1|1,0,0]=3 923 B11R2.34 BrC1=NC=C(C2CC2)N=C1 81856 [0,1,0,1,0,0|1,0,1]=4 924 B11R2.1 BrC1=CNC2=NC=CN=C12 27776 [0,1,0,1,0,0|1,0,1]=4 925 B11R2.1 BrC1=CSC2=NC=CN=C12 26726 [0,1,0,1,0,0|1,0,1]=4 926 B11R2.1 BrC1=NNC2=NC=CN=C12 35398 [0,1,0,1,0,0|2,0,0]=4 927 B11R2.1 BrC1=NSC2=NC=CN=C12 27743 [0,1,0,1,0,0|1,1,0]=4 928 B11R2.1 CC1=CNC2=C1C=NC=C2 P11266 [0,1,0,1,0,0|2,0,0]=4 929 B11R2.1 CC1=CNC2=CC=CN=C12 F13594 [0,1,0,1,0,0|2,0,0]=4 930 B11R2.1 CC1=NNC2=C1C=NC=C2 86905 [0,1,0,1,0,0|2,0,0]=4 931 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [0,1,0,1,0,0|1,0,0]=3 932 B11R2.1 NC1=CSC2=NC=CN=C12 28037 [0,1,0,1,0,0|1,0,1]=4 933 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,1,0,1,0,0|1,0,0]=3 934 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,1,0,1,0,0|2,0,0]=4 935 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,1,0,1,0,0|1,0,0]=3 936 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,1,0,1,0,0|1,0,0]=3 937 B11R2.1 O=C1NCC2=C1CC=CC2 P15954 [0,1,0,1,0,0|2,0,0]=4 938 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,1,0,1,0,0|1,0,0]=3 939 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,1,0,1,0,0|0,0,0]=2 940 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,1,0,1,0,0|0,0,0]=2 941 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,1,0,1,0,0|2,0,0]=4 942 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,1,0,1,0,0|2,0,0]=4 943 B11R2.40 NC1(C2=NC=CN=C2)CC1 50223 [0,1,0,1,0,0|1,0,1]=4 944 B11R2.55 ClC1=NC=CN=C1C2CC2 96959 [0,1,0,1,0,0|1,0,1]=4 945 B11R2.35 BrC1=NC(C2CC2)=CN=C1 55122 [0,1,0,1,0,0|1,0,1]=4 946 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,1,0|1,0,1]=4 947 B7R1.1 C=CC1=CN=CN1 D82417 [1,0,0,0,1,0|0,0,2]=4 948 B7R1.1 C=CC1=NNC=C1 P13173 [1,0,0,0,1,0|1,0,1]=4 949 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,1,0|1,0,1]=4 950 B7R1.1 CCN1C=NC=N1 29522 [1,0,0,0,1,0|1,0,1]=4 951 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,1,0|2,0,0]=4 952 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,1,0|2,0,0]=4 953 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,1,0|2,0,0]=4 954 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,1,0|2,0,0]=4 955 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,1,0|2,0,0]=4 956 B7R1.1 COC1=CNN=C1 79311 [1,0,0,0,1,0|2,0,0]=4 957 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,1,0|2,0,0]=4 958 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,1,0|1,0,1]=4 959 B7R1.1 CSC1=CNN=C1 W10958 [1,0,0,0,1,0|2,0,0]=4 960 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,1,0|1,0,1]=4 961 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,1,0|2,0,0]=4 962 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,1,0|1,0,0]=3 963 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,0,1,0|1,0,0]=3 964 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,0,1,0|1,0,0]=3 965 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,1,0|1,0,0]=3 966 B7R1.1 O=CC1=CNN=N1 F13257 [1,0,0,0,1,0|1,0,1]=4 967 B7R1.1 O=CC1=CON=C1 95893 [1,0,0,0,1,0|1,0,0]=3 968 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,0,1,0|1,0,0]=3 969 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,2|2,0,0]=4 970 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,0,0,0,0,2|1,0,1]=4 971 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,2|2,0,0]=4 972 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,0,0,0,2|2,0,0]=4 973 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,0,0,0,2|2,0,0]=4 974 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,0,2|2,0,0]=4 975 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,2|1,0,0]=3