0 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 O=C([O-])C1=NN=CC=N1 67095 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.6 O=[S@]([O-])C1=NC=CC=C1 AT11818 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.2 BrCC1=CN=CN=C1 O11299 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 BrCC1=NC=CN=C1 31757 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 BrCC1=NC=NC=C1 Y10744 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.2 BrCC1=NN=CC=C1 27114 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.2 C#CC1=NC=CN=C1 P11646 [1,0,0,0,0,0|0,0,2]=3 34 B8R1.2 CCC1=NC=NC=C1 F17281 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 CNC1=CN=CN=C1 Y10181 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.2 CNC1=CN=NC=C1 A10648 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.2 CNC1=NC=NC=C1 W10133 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 COC1=NC=NC=C1 T72699 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 ClCC1=NC=CN=C1 37060 [1,0,0,0,0,0|1,0,0]=2 40 B8R1.2 ClCC1=NN=CC=C1 37063 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 N#CC1=NC=CC=C1 D77869 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 NCC1=CC=CN=N1 36976 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 NCC1=CC=CN=N1 AT13034 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 NCC1=CC=CN=N1 P15536 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 NCC1=CN=CN=C1 26963 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 NCC1=CN=NC=C1 27223 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 NCC1=CN=NC=C1 36975 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 NCC1=NC=CN=C1 67569 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.2 NNC1=CC=CN=C1 S12141 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 OCC1=CN=NC=C1 37054 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 SCC1=CN=CC=C1 F18343 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,0|2,0,1]=4 56 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,1,0,0,0,0|1,0,1]=3 58 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,1,0,0,0,0|1,0,0]=2 60 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,1,0,0,0,0|1,0,0]=2 61 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,1,0,0,0,0|1,0,0]=2 62 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [0,1,0,0,0,0|2,0,0]=3 63 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,1,0,0,0,0|1,0,0]=2 70 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,1,0,0,0,0|2,0,0]=3 73 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.13 CN(C)C1=CN=C(Cl)N=C1 D80206 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,1,0,0,0,0|2,0,0]=3 77 B10R1.13 CN(C)C1=NC=C(N)C=N1 C10726 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.13 CN(C)C1=NN=C(Br)C=C1 A12070 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.13 CN(C)C1=NN=C(Cl)C=C1 S10309 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91193 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Y10520 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 C[C@H](O)C1=CN=C(Cl)N=C1 P15879 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.13 C[C@H](O)C1=NC=C(F)C=N1 F52098 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 D80116 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.13 NC1=CN=C(C(F)F)C=C1 O11506 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.13 NC1=CN=C(C(F)F)C=C1 W11082 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.13 NC1=CN=C(C(F)F)C=N1 D84905 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.13 OC1=CN=C(C(F)F)C=C1 D92853 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.28 CC(C)(N)C1=CC=NC=C1 F17065 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.28 CC(C)(N)C1=NC=CC=N1 AT12625 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.28 C[Sn](C)(C)C1=NC=CC=C1 T71744 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.28 [2H]C([2H])(N)C1=NC=CC=C1 W18284 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.61 CC(C)C1=NC=CN=C1O W12756 [0,1,0,0,0,0|0,0,0]=1 176 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.61 CN(C)C1=C(Br)C=CC=N1 N11615 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 FC(F)C1=C(Br)C=CC=N1 C71751 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.61 NC1=C(C(F)F)C=CC=N1 C76895 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,0,0|2,0,1]=4 219 B10R1.113 C=C(C)C1=CC(Br)=CN=C1 27507 [0,1,0,0,0,0|1,0,2]=4 220 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,0|2,0,1]=4 221 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,0|2,0,1]=4 222 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,0|1,0,1]=3 224 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.113 CC(C)C1=CC(Cl)=NC=N1 D95118 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [0,1,0,0,0,0|1,0,1]=3 229 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [0,1,0,0,0,0|1,0,0]=2 231 B10R1.113 CC(C)C1=CC=NC(N)=N1 92048 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [0,1,0,0,0,0|1,0,0]=2 233 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [0,1,0,0,0,0|1,0,0]=2 234 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [0,1,0,0,0,0|1,0,0]=2 235 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.113 CC(C)C1=NC=CC(O)=N1 W12564 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.113 CN(C)C1=CC(=O)NN=C1 C75118 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.113 CN(C)C1=CC(Br)=NN=C1 P18627 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.113 CN(C)C1=CC=CC(Br)=N1 92343 [0,1,0,0,0,0|2,0,0]=3 249 B10R1.113 CN(C)C1=NC=CC(Br)=C1 26905 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.113 CN(C)C1=NC=CC(Cl)=N1 F11794 [0,1,0,0,0,0|3,0,0]=4 251 B10R1.113 CN(C)C1=NC=NC(N)=C1 AT18311 [0,1,0,0,0,0|3,0,0]=4 252 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,1,0,0,0,0|3,0,0]=4 264 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [0,1,0,0,0,0|2,0,0]=3 267 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [0,1,0,0,0,0|2,0,0]=3 268 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,1,0,0,0,0|3,0,0]=4 278 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,1,0,0,0,0|3,0,0]=4 282 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,1,0,0,0,0|3,0,0]=4 287 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,1,0,0,0,0|3,0,0]=4 288 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,1,0,0,0,0|3,0,0]=4 289 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,1,0,0,0,0|3,0,0]=4 290 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,1,0,0,0,0|3,0,0]=4 293 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,1,0,0,0,0|3,0,0]=4 295 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,1,0,0,0,0|3,0,0]=4 296 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.113 FC(F)C1=CC=CC(Cl)=N1 D83938 [0,1,0,0,0,0|3,0,0]=4 298 B10R1.113 FC(F)C1=NC=CC(Cl)=C1 69159 [0,1,0,0,0,0|3,0,0]=4 299 B10R1.113 NC1=CC(C(F)F)=NC=C1 C73620 [0,1,0,0,0,0|3,0,0]=4 300 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,0|2,0,1]=4 302 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,1,0|2,0,1]=4 303 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,1,0|2,0,1]=4 304 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,1,0|2,0,1]=4 305 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,1,0|2,0,1]=4 306 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,0,0,0,1,0|2,0,1]=4 307 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,1,0|2,0,1]=4 308 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,1,0|2,0,1]=4 309 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,0,1,0|1,0,0]=2 310 B8R1.7 CC(C)C1=CNC=N1 F30487 [0,0,0,0,1,0|0,0,1]=2 311 B8R1.7 CC(C)C1=CNN=C1 D78878 [0,0,0,0,1,0|1,0,0]=2 312 B8R1.7 CC(C)C1=NCCO1 T71548 [0,0,0,0,1,0|1,0,2]=4 313 B8R1.7 CC(C)N1C=NN=N1 F19921 [0,0,0,0,1,0|2,0,0]=3 314 B8R1.7 CN(C)C1=NC=CS1 N10099 [0,0,0,0,1,0|2,0,0]=3 315 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [0,0,0,0,1,0|2,0,0]=3 316 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [0,0,0,0,1,0|2,0,0]=3 317 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [0,0,0,0,1,0|2,0,0]=3 318 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [0,0,0,0,1,0|2,0,0]=3 319 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [0,0,0,0,1,0|2,0,0]=3 320 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [0,0,0,0,1,0|2,0,0]=3 321 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [0,0,0,0,1,0|2,0,0]=3 322 B8R1.7 C[C@H](N)C1=CN=CS1 72023 [0,0,0,0,1,0|2,0,0]=3 323 B8R1.7 C[C@H](N)C1=CNC=N1 F13130 [0,0,0,0,1,0|1,0,1]=3 324 B8R1.7 C[C@H](N)C1=CNN=C1 98132 [0,0,0,0,1,0|2,0,0]=3 325 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [0,0,0,0,1,0|2,0,0]=3 326 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [0,0,0,0,1,0|2,0,0]=3 327 B8R1.7 C[C@H](N)C1=NC=CN1 72810 [0,0,0,0,1,0|1,0,1]=3 328 B8R1.7 C[C@H](N)C1=NC=CO1 33710 [0,0,0,0,1,0|2,0,0]=3 329 B8R1.7 C[C@H](N)C1=NC=CS1 20319 [0,0,0,0,1,0|2,0,0]=3 330 B8R1.7 C[C@H](N)C1=NC=CS1 20320 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.7 C[C@H](N)C1=NN=CO1 D79352 [0,0,0,0,1,0|3,0,0]=4 332 B8R1.7 C[C@H](N)C1=NNC=C1 AT26928 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.7 C[C@H](N)C1=NNC=C1 C90952 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.7 C[C@H](N)C1=NNC=C1 W11012 [0,0,0,0,1,0|2,0,0]=3 335 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [0,0,0,0,1,0|2,0,0]=3 336 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [0,0,0,0,1,0|1,0,1]=3 337 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,0,0,0,1,0|2,0,0]=3 338 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [0,0,0,0,1,0|2,0,0]=3 339 B8R1.7 FC(F)C1=NNC=C1 AT15834 [0,0,0,0,1,0|3,0,0]=4 340 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,1|2,0,1]=4 341 B10R1.18 CC(C)NC1=NC=CC=N1 C75128 [0,0,0,0,0,1|2,0,0]=3 342 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [0,0,0,0,0,1|2,0,0]=3 343 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,0,0,0,0,1|2,0,1]=4 344 B10R1.18 NC(=S)NC1=NC=CN=C1 W13133 [0,0,0,0,0,1|2,0,1]=4 345 B7R1.3 CC1=NC=CN=N1 C74235 [2,0,0,0,0,0|1,0,0]=3 346 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|2,0,0]=4 347 B7R1.3 SC1=NC=CN=C1 F16108 [2,0,0,0,0,0|1,0,0]=3 348 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [1,1,0,0,0,0|0,0,2]=4 351 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.1 CC1=CN=C(CO)C=N1 26144 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,1,0,0,0,0|0,0,0]=2 362 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.1 COC1=NC=C(N)N=C1 24331 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.1 NNC1=CN=C(Cl)C=N1 BL010279 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.2 CC1=CC(CCl)=NC=C1 25774 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.2 CC1=CC(CN)=NC=C1 72801 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.2 CC1=CC(CN)=NC=C1 78899 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,1,0,0,0,0|1,0,1]=4 399 B9R1.2 CC1=CN=CC(CN)=C1 72799 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.2 CCC1=CC(Cl)=NC=N1 F17302 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.2 CCC1=CC=NC(Cl)=N1 30656 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [1,1,0,0,0,0|0,0,0]=2 407 B9R1.2 CCC1=NC=CC(Br)=C1 S10560 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.2 CCC1=NC=CC(O)=N1 W12565 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.2 CNC1=NC(C)=CN=C1 74811 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.2 CNC1=NC=CC(Br)=C1 32749 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.2 CNC1=NC=CC(N)=C1 27435 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.2 COC1=NC(N)=CN=C1 24364 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.2 CSC1=CC=CC(Cl)=N1 F14554 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.2 CSC1=NC(N)=CC=C1 W18184 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.2 ClC1=CC=CC(CBr)=N1 55241 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.2 ClCC1=CC=CC(Cl)=N1 F52578 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.2 ClCC1=NC=CC(Cl)=C1 AC1913 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.2 FC1=CC(CBr)=NC=C1 AC8874 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.2 FC1=CC=CC(CBr)=N1 25716 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.2 FC1=CC=CC(CCl)=N1 88353 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.2 N#CC1=CN=CC(Br)=N1 26949 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.2 N#CC1=NC(N)=CN=C1 24341 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.2 NCC1=CC(Br)=CN=C1 Y14573 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.2 NCC1=CC(Cl)=CN=C1 29807 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.2 NCC1=CC=CC(Br)=N1 CS1515 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.2 NCC1=CC=CC(Cl)=N1 C73611 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.2 NCC1=CC=CC(F)=N1 25846 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.2 NCC1=CC=CC(N)=N1 H10329 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.2 NCC1=NC=CC(Br)=C1 26881 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.2 NCC1=NC=CC(Br)=C1 P17869 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.2 NCC1=NC=CC(Cl)=C1 P18502 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.2 NCC1=NC=CC(Cl)=C1 Y12031 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,1,0,0,0,0|1,0,1]=4 438 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.8 CCNC1=CC=CN=C1 C15578 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.8 CNCC1=CN=NC=C1 P16258 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.8 CNCC1=NC=CC=N1 W11490 [1,1,0,0,0,0|2,0,0]=4 445 B9R1.8 N#CCC1=NC=CN=C1 50051 [1,1,0,0,0,0|0,0,1]=3 446 B9R1.8 NCCC1=NC=CC=N1 P15951 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.8 NCCC1=NC=CN=C1 AR1061 [1,1,0,0,0,0|0,0,0]=2 448 B9R1.8 NCCC1=NC=NC=C1 P18517 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.8 NNCC1=CC=CN=C1 78930 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.8 NNCC1=NC=CC=C1 78929 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.8 NNCC1=NC=CN=C1 37235 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.8 OCCC1=CN=CN=C1 27368 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.8 OCCC1=NC=CC=N1 C14218 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.15 BrCC1=C(Br)C=CC=N1 N13045 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.15 C#CC1=NC=CN=C1C 79091 [1,1,0,0,0,0|0,0,2]=4 457 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.15 CC1=C(CCl)C=NC=C1 C72783 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.15 CC1=CC=CN=C1CN C72913 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.15 CC1=NC=CC=C1CN 72802 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.15 CC1=NC=CC=C1CN AB7634 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,1,0,0,0,0|1,0,1]=4 465 B9R1.15 CC1=NC=CN=C1CCl P11784 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.15 CC1=NC=CN=C1CN E70300 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.15 CC1=NC=CN=C1CN P19746 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.15 CC1=NC=CN=C1CO P10784 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.15 CC1=NC=CN=C1NN BL010270 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [1,1,0,0,0,0|1,0,0]=3 471 B9R1.15 CCC1=C(Br)C=CN=C1 38064 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.15 CCC1=C(O)C=CC=N1 71246 [1,1,0,0,0,0|1,0,0]=3 474 B9R1.15 CCC1=CC=CN=C1Br D80252 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.15 CCC1=CC=CN=C1N 55791 [1,1,0,0,0,0|1,0,0]=3 476 B9R1.15 CCC1=CC=NN=C1Cl S11385 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.15 CCC1=NC=CN=C1N RB3385 [1,1,0,0,0,0|0,0,0]=2 478 B9R1.15 CCC1=NC=CNC1=O S12194 [1,1,0,0,0,0|0,0,1]=3 479 B9R1.15 CNC1=C(C)C=CN=C1 C12398 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.15 CNC1=C(N)C=CN=C1 F51691 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.15 CNC1=CC=CN=C1N 94808 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.15 CNC1=NC=CC=C1N 72351 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.15 CNC1=NC=CN=C1N 25161 [1,1,0,0,0,0|1,0,0]=3 484 B9R1.15 COC1=C(Br)C=CN=C1 26564 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.15 COC1=C(I)C=CN=C1 D82954 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.15 COC1=C(N)C=CN=C1 35474 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.15 COC1=NC=CC=C1C C73664 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.15 COC1=NC=CN=C1Br 27717 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.15 CSC1=C(F)N=CC=C1 F50785 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.15 CSC1=C(N)C=CN=C1 W16024 [1,1,0,0,0,0|2,0,0]=4 491 B9R1.15 ClCC1=C(Br)C=CC=N1 W15864 [1,1,0,0,0,0|2,0,0]=4 492 B9R1.15 ClCC1=C(Cl)C=CC=N1 86866 [1,1,0,0,0,0|2,0,0]=4 493 B9R1.15 ClCC1=C(Cl)C=CC=N1 C71965 [1,1,0,0,0,0|2,0,0]=4 494 B9R1.15 FC1=C(CBr)C=CC=N1 72213 [1,1,0,0,0,0|2,0,0]=4 495 B9R1.15 FC1=CC=CN=C1CBr 38126 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.15 FC1=CC=CN=C1CCl AC1446 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.15 NC1=C(CO)C=NC=C1 28348 [1,1,0,0,0,0|2,0,0]=4 498 B9R1.15 NC1=CC=CN=C1CO H10562 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,1,0,0,0,0|1,0,1]=4 500 B9R1.15 NCC1=C(Br)C=CC=N1 N13373 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.15 NCC1=C(Br)C=CC=N1 Y13366 [1,1,0,0,0,0|2,0,0]=4 502 B9R1.15 NCC1=C(Br)C=CN=C1 F30244 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.15 NCC1=C(Cl)C=CC=N1 20194 [1,1,0,0,0,0|2,0,0]=4 504 B9R1.15 NCC1=C(Cl)C=CN=C1 73185 [1,1,0,0,0,0|2,0,0]=4 505 B9R1.15 NCC1=C(F)C=CC=N1 37501 [1,1,0,0,0,0|2,0,0]=4 506 B9R1.15 NCC1=C(F)C=CC=N1 71993 [1,1,0,0,0,0|2,0,0]=4 507 B9R1.15 NCC1=C(F)C=CC=N1 P10857 [1,1,0,0,0,0|2,0,0]=4 508 B9R1.15 NCC1=CC=CN=C1Br D82416 [1,1,0,0,0,0|2,0,0]=4 509 B9R1.15 NCC1=CC=CN=C1Cl 51113 [1,1,0,0,0,0|2,0,0]=4 510 B9R1.15 NCC1=CC=CN=C1N 89358 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.15 NCC1=CC=CN=C1O 55767 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.15 NCC1=NC=CC=C1N AC4283 [1,1,0,0,0,0|2,0,0]=4 513 B9R1.15 NCC1=NC=CN=C1N AB3037 [1,1,0,0,0,0|1,0,0]=3 514 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [1,1,0,0,0,0|2,0,0]=4 517 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.15 OCC1=NC=CN=C1Cl 80497 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [0,1,0,0,1,0|2,0,0]=4 520 B9R1.11 C[C@@H](CO)C1=NC=CN1 A10618 [0,1,0,0,1,0|0,0,1]=3 521 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [0,1,0,0,1,0|2,0,0]=4 522 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [0,1,0,0,1,0|2,0,0]=4 523 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [0,1,0,0,1,0|2,0,0]=4 524 B9R1.19 CC(C)(C)C1=CC=CS1 AC4668 [0,1,0,0,1,0|1,0,0]=3 525 B9R1.19 CC(C)(C)N1C=CC=C1 A12336 [0,1,0,0,1,0|2,0,0]=4 526 B9R1.19 CC(C)(O)C1=NC=CN1 W17929 [0,1,0,0,1,0|0,0,1]=3 527 B9R1.35 CC(C)C1=CN=C(Br)S1 27295 [0,1,0,0,1,0|1,0,0]=3 528 B9R1.35 CC(C)C1=CN=C(N)S1 84416 [0,1,0,0,1,0|1,0,0]=3 529 B9R1.35 CC(C)C1=CSC(N)=N1 29941 [0,1,0,0,1,0|1,0,0]=3 530 B9R1.35 CC(C)C1=NN=C(Br)S1 22935 [0,1,0,0,1,0|2,0,0]=4 531 B9R1.35 CC(C)C1=NN=C(N)O1 71825 [0,1,0,0,1,0|2,0,0]=4 532 B9R1.35 CC(C)C1=NNC(=O)C1 W16000 [0,1,0,0,1,0|1,0,1]=4 533 B9R1.35 CC(C)C1=NNC(=O)O1 AT18783 [0,1,0,0,1,0|2,0,0]=4 534 B9R1.35 CC(C)N1C=C(O)C=N1 Y11650 [0,1,0,0,1,0|1,0,0]=3 535 B9R1.35 CC(C)N1C=CC(O)=N1 79210 [0,1,0,0,1,0|1,0,0]=3 536 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,1,0,0,1,0|0,0,1]=3 537 B9R1.35 CC1=NN=C(C(C)C)N1 A12905 [0,1,0,0,1,0|1,0,1]=4 538 B9R1.35 CC1=NOC([C@H](C)N)=N1 70858 [0,1,0,0,1,0|2,0,0]=4 539 B9R1.35 CC1=NOC([C@H](C)N)=N1 70930 [0,1,0,0,1,0|2,0,0]=4 540 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 D81119 [0,1,0,0,1,0|2,0,0]=4 541 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,1,0,0,1,0|2,0,0]=4 542 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,1,0,0,1,0|2,0,0]=4 543 B9R1.35 C[C@H](N)C1=CN(C)N=C1 79129 [0,1,0,0,1,0|2,0,0]=4 544 B9R1.35 C[C@H](N)C1=CN(C)N=C1 P10329 [0,1,0,0,1,0|2,0,0]=4 545 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 38491 [0,1,0,0,1,0|2,0,0]=4 546 B9R1.41 CC(C)C1=CNN=C1N 82145 [0,1,0,0,1,0|1,0,0]=3 547 B9R1.41 CC(C)C1=NNC=C1Br 39129 [0,1,0,0,1,0|1,0,0]=3 548 B9R1.41 CC(C)N1C=CN=C1Cl 24217 [0,1,0,0,1,0|1,0,0]=3 549 B9R1.41 CC1=NNC=C1[C@H](C)O 72728 [0,1,0,0,1,0|2,0,0]=4 550 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [0,1,0,0,0,1|1,0,0]=3 552 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.20 CC(C)OC1=NN=C(Cl)C=C1 AT23121 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.20 CC(C)OC1=NN=C(I)C=C1 C73322 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 P17479 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [0,1,0,0,0,1|1,0,0]=3 564 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [0,1,0,0,0,1|1,0,0]=3 565 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [0,1,0,0,0,1|1,0,0]=3 566 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [0,1,0,0,0,1|1,0,0]=3 567 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.86 CC1=NC=CN=C1OC(C)C T73088 [0,1,0,0,0,1|0,0,0]=2 571 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 72240 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 W12583 [0,1,0,0,0,1|1,0,0]=3 576 B11R1.157 CC(C)OC1=NC=CC(I)=C1 W17318 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.509 CC(C)(C)OC1=CN=CC=C1 N10411 [0,1,0,0,0,1|1,0,0]=3 579 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS1089 [0,1,0,0,0,1|1,0,0]=3 580 B11R1.3 C#CC1=CN=C(N(C)C)C=C1 AC6759 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.3 CC(=O)C1=NC=C(C#N)N=C1 C77133 [0,2,0,0,0,0|1,0,1]=4 582 B11R1.3 CN(C)C1=CN=C(C=O)C=C1 94043 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.3 CN(C)C1=NC=C(C=O)C=C1 78785 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.3 COC1=CN=C(C(C)=O)C=N1 S10058 [0,2,0,0,0,0|1,0,1]=4 586 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.19 CC(C)(C)C1=CN=C(Br)C=C1 P18025 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P18762 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.19 CC(C)(C)C1=CN=C(N)C=C1 D95143 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.19 CC(C)(C)C1=CN=C(N)N=C1 F30951 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.19 CC(C)(C)C1=CN=C(N)N=C1 F51929 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 84353 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.19 CC(C)(C)C1=NC=C(Br)C=N1 66257 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 F30395 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.19 CC(C)(F)C1=CC=C(Br)C=C1 F51874 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 91218 [0,2,0,0,0,0|2,0,0]=4 597 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 W17967 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.19 CC(C)(O)C1=CN=C(N)C=C1 W17246 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.19 CC(C)(O)C1=NC=C(Br)C=N1 W13360 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.19 FC(F)(F)C1=CN=C(Br)C=N1 12507 [0,2,0,0,0,0|2,0,0]=4 601 B11R1.19 OC1=CN=C(C(F)(F)F)C=N1 F14428 [0,2,0,0,0,0|2,0,0]=4 602 B11R1.21 CC(C)C1=CC(F)=C(Br)C=C1 D93757 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 F11367 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.21 CC(C)C1=CC(N)=C(N)C=C1 D78649 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.21 CC1=C(Br)C=NC(N(C)C)=C1 CS1284 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 N14401 [0,2,0,0,0,0|2,0,0]=4 607 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y12663 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y13395 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 34381 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 F14410 [0,2,0,0,0,0|2,0,0]=4 611 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,2,0,0,0,0|2,0,0]=4 615 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,2,0,0,0,0|2,0,0]=4 616 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,2,0,0,0,0|2,0,0]=4 617 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 F16973 [0,2,0,0,0,0|2,0,0]=4 623 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 N11110 [0,2,0,0,0,0|2,0,0]=4 624 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 Y11040 [0,2,0,0,0,0|2,0,0]=4 625 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11194 [0,2,0,0,0,0|2,0,0]=4 626 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12228 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12229 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12625 [0,2,0,0,0,0|2,0,0]=4 629 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 F51191 [0,2,0,0,0,0|2,0,0]=4 630 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 A12536 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,2,0,0,0,0|0,0,0]=2 632 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br 24900 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=N1 79345 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=N1 50880 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.166 C[C@H](N)C1=NC=C(Cl)C=C1F BL010225 [0,2,0,0,0,0|2,0,0]=4 636 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=N1 79310 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.166 C[C@H](O)C1=NC=C(Cl)C=C1F BL010226 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.7 CC(C)(C#N)C1=NC=CC=N1 C73564 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.7 CC(C)(CN)C1=NC=CC=C1 D83381 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.7 C[C@@](N)(C#N)C1=NC=CN=C1 W16396 [0,2,0,0,0,0|0,0,1]=3 641 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.7 NCC(F)(F)C1=NC=CC=C1 C11454 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P10677 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.7 NCC(F)(F)C1=NC=CC=C1 P19948 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.7 OCC(F)(F)C1=NC=CC=C1 37503 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12113 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12114 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=N1 Y12864 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,2,0,0,0,0|1,0,1]=4 663 B11R1.23 N[C@@H](CO)C1=CC(Br)=CN=C1 Y12868 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12116 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=N1 Y12865 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.222 CC[C@H](N)C1=NC=CC=C1C Y11607 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.222 CNC(=O)C1=NC=CN=C1N AB3038 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [0,2,0,0,0,0|2,0,0]=4 672 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.87 CC(C)(C)C1=C(Br)C=CC=C1 C76258 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.87 CC(C)(C)C1=C(Br)C=NC=N1 O11373 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.87 CC(C)(F)C1=C(Br)C=NC=N1 F13811 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.87 CC(C)(N)C1=C(Br)C=CC=C1 Y10933 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.87 C[Si](C)(C)C1=C(O)N=CC=C1 W19401 [0,2,0,0,0,0|1,1,0]=4 683 B11R1.87 NC1=NC=CN=C1C(F)(F)F F12196 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.155 CC(C)(C)C1=CC=CC(Br)=N1 54478 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.155 CC(C)(C)C1=CC=CC(Cl)=N1 N11822 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.155 CC(C)(C)C1=CC=CC(N)=N1 F30953 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.155 CC(C)(C)C1=CC=NC(Cl)=N1 F16676 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.155 CC(C)(C)C1=CC=NC(N)=N1 86974 [0,2,0,0,0,0|2,0,0]=4 689 B11R1.155 CC(C)(C)C1=NC=CC(Br)=C1 54297 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.155 CC(C)(C)C1=NC=CC(Cl)=N1 27720 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.155 CC(C)(C)C1=NC=CC(O)=C1 F51926 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.155 CC(C)(N)C1=CC(Br)=CN=C1 83830 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.155 CC(C)(N)C1=CC=CC(F)=C1 N10807 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 AC1663 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.155 CC(F)(F)C1=CC(Br)=CN=C1 54714 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.155 FC(F)(F)C1=CN=CC(Cl)=N1 N12305 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.155 NC1=CN=CC(C(F)(F)F)=N1 F10998 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 39100 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.53 CC(C)C1=CC=CN=C1CCl D80268 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.53 CC(C)C1=CC=CN=C1CO D83406 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=N1 D81046 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.156 C[C@H](O)C1=C(Cl)C=CN=C1Cl W19569 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.159 CC(C)C1=CC=CC(N)=C1F C72489 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 60023 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.159 CC1=CC=CC(C(C)C)=C1N 77942 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.167 CC(=O)C1=NC(Br)=CN=C1Br 81571 [0,2,0,0,0,0|1,0,1]=4 709 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [0,2,0,0,0,0|1,0,1]=4 710 B11R1.167 CC(C)C1=C(F)C=CC(I)=C1 C72486 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.167 CC(C)C1=C(O)C=CC(O)=C1 S10162 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 W13512 [0,2,0,0,0,0|0,0,0]=2 713 B11R1.167 CC(C)C1=CC(Cl)=NN=C1Cl F52597 [0,2,0,0,0,0|2,0,0]=4 714 B11R1.167 CC(C)C1=CC(Cl)=NN=C1O P20687 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.167 CN(C)C1=CC(Br)=CN=C1N P17128 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13442 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13443 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.167 C[C@H](N)C1=CC(F)=CN=C1Cl Y13444 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.74 CC(C)C1=CC(Br)=CC(N)=C1 98235 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.74 CC(C)C1=CC(Cl)=NC(N)=N1 W11428 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.74 CC(C)C1=CC(O)=CC(=O)O1 P17311 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.74 CC1=CC(O)=NC(C(C)C)=C1 C90501 [0,2,0,0,0,0|1,0,0]=3 723 B11R1.74 CN(C)C1=CC(Cl)=CC(Cl)=N1 F31158 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.266 CC(C)C1=CC=CC(C#N)=N1 39139 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.266 CC(C)C1=CC=CC(CBr)=C1 39101 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.266 CC(C)C1=NC=CC(C#N)=C1 F52586 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.266 CN(C)C1=CC=CC(CCl)=N1 C75051 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 N11220 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.266 COC1=NC([C@H](C)N)=CC=C1 Y14753 [0,2,0,0,0,0|2,0,0]=4 730 B9R2.2 C1=CN(C2CC2)C=N1 CS2526 [0,0,0,1,1,0|1,0,0]=3 731 B9R2.2 C1=CN(C2CC2)N=C1 25668 [0,0,0,1,1,0|1,0,0]=3 732 B9R2.2 C1=CNC(C2CC2)=N1 31955 [0,0,0,1,1,0|0,0,1]=3 733 B9R2.2 C1=NC=C(C2CC2)N1 51747 [0,0,0,1,1,0|0,0,1]=3 734 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [0,0,0,1,0,1|2,0,0]=4 735 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [0,0,0,1,0,1|2,0,0]=4 736 B11R2.34 BrC1=CN=C(C2CC2)C=C1 82181 [0,1,0,1,0,0|1,0,0]=3 737 B11R2.34 BrC1=CN=C(C2CC2)N=C1 61441 [0,1,0,1,0,0|2,0,0]=4 738 B11R2.34 BrC1=NC=C(C2CC2)C=C1 81857 [0,1,0,1,0,0|1,0,0]=3 739 B11R2.34 BrC1=NC=C(C2CC2)N=C1 81856 [0,1,0,1,0,0|0,0,0]=2 740 B11R2.34 BrC1=NN=C(C2CC2)C=C1 F52113 [0,1,0,1,0,0|2,0,0]=4 741 B11R2.34 ClC1=NC=C(C2CC2)C=C1 81869 [0,1,0,1,0,0|1,0,0]=3 742 B11R2.34 ClC1=NC=C(C2CC2)C=N1 VT1061 [0,1,0,1,0,0|2,0,0]=4 743 B11R2.34 ClC1=NN=C(C2CC2)C=C1 59624 [0,1,0,1,0,0|2,0,0]=4 744 B11R2.34 NC1=CC=C(C2CC2)C=C1 26267 [0,1,0,1,0,0|2,0,0]=4 745 B11R2.34 NC1=CC=C(C2CC2)C=C1 33400 [0,1,0,1,0,0|2,0,0]=4 746 B11R2.34 NC1=CN=C(C2CC2)C=C1 C71516 [0,1,0,1,0,0|1,0,0]=3 747 B11R2.34 NC1=CN=C(C2CC2)N=C1 81898 [0,1,0,1,0,0|2,0,0]=4 748 B11R2.34 NC1=NC=C(C2CC2)C=C1 94373 [0,1,0,1,0,0|1,0,0]=3 749 B11R2.34 NC1=NC=C(C2CC2)C=N1 AT18404 [0,1,0,1,0,0|2,0,0]=4 750 B11R2.34 OC1=NC=C(C2CC2)C=C1 C71515 [0,1,0,1,0,0|1,0,0]=3 751 B11R2.1 CC1=NNC2=NC=CN=C12 52551 [0,1,0,1,0,0|1,0,1]=4 752 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,1,0,1,0,0|2,0,0]=4 753 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [0,1,0,1,0,0|2,0,0]=4 754 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [0,1,0,1,0,0|2,0,0]=4 755 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [0,1,0,1,0,0|2,0,0]=4 756 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [0,1,0,1,0,0|2,0,0]=4 757 B11R2.1 O=C1NCC2=NC=CN=C12 AT22460 [0,1,0,1,0,0|1,0,1]=4 758 B11R2.1 O=C1NCC2=NC=CN=C12 P20256 [0,1,0,1,0,0|1,0,1]=4 759 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [0,1,0,1,0,0|2,0,0]=4 760 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [0,1,0,1,0,0|2,0,0]=4 761 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [0,1,0,1,0,0|2,0,0]=4 762 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [0,1,0,1,0,0|2,0,0]=4 763 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [0,1,0,1,0,0|2,0,0]=4 764 B11R2.1 O[C@H]1COC2=NC=CC=C21 D97315 [0,1,0,1,0,0|2,0,0]=4 765 B11R2.40 NC1(C2=CC=CN=C2)CC1 E10032 [0,1,0,1,0,0|1,0,0]=3 766 B11R2.40 NC1(C2=NC=CC=C2)CC1 59909 [0,1,0,1,0,0|1,0,0]=3 767 B11R2.40 NC1(C2=NC=CC=N2)CC1 P11939 [0,1,0,1,0,0|2,0,0]=4 768 B11R2.40 NC1(C2=NC=CC=N2)CC1 P15891 [0,1,0,1,0,0|2,0,0]=4 769 B11R2.40 NC1(C2=NC=CN=C2)CC1 50223 [0,1,0,1,0,0|0,0,0]=2 770 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [0,1,0,1,0,0|2,0,0]=4 771 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [0,1,0,1,0,0|2,0,0]=4 772 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,1,0,1,0,0|2,0,0]=4 773 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,1,0,1,0,0|2,0,0]=4 774 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [0,1,0,1,0,0|1,0,0]=3 775 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [0,1,0,1,0,0|2,0,0]=4 776 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [0,1,0,1,0,0|1,0,0]=3 777 B11R2.239 C1=NC=C(C2CNC2)C=N1 85627 [0,1,0,1,0,0|2,0,0]=4 778 B11R2.55 BrC1=C(C2CC2)N=CC=C1 AC7391 [0,1,0,1,0,0|1,0,0]=3 779 B11R2.55 BrC1=C(C2CC2)N=CN=C1 S11505 [0,1,0,1,0,0|2,0,0]=4 780 B11R2.55 BrC1=NC=CC=C1C2CC2 O10674 [0,1,0,1,0,0|1,0,0]=3 781 B11R2.55 ClC1=NC=CC=C1C2CC2 C76816 [0,1,0,1,0,0|1,0,0]=3 782 B11R2.55 ClC1=NC=CN=C1C2CC2 96959 [0,1,0,1,0,0|0,0,0]=2 783 B11R2.55 FC1=NC=CC=C1C2CC2 F16374 [0,1,0,1,0,0|1,0,0]=3 784 B11R2.55 NC1=NC=CC=C1C2CC2 92679 [0,1,0,1,0,0|1,0,0]=3 785 B11R2.55 O=C1NC=CC=C1C2CC2 N13207 [0,1,0,1,0,0|1,0,1]=4 786 B11R2.35 BrC1=CC(C2CC2)=NC=C1 84229 [0,1,0,1,0,0|1,0,0]=3 787 B11R2.35 BrC1=CN=CC(C2CC2)=C1 F15531 [0,1,0,1,0,0|1,0,0]=3 788 B11R2.35 BrC1=NC(C2CC2)=CN=C1 55122 [0,1,0,1,0,0|0,0,0]=2 789 B11R2.35 ClC1=NC(C2CC2)=CC=N1 AT12434 [0,1,0,1,0,0|2,0,0]=4 790 B11R2.35 ClC1=NC(C2CC2)=NC=C1 55124 [0,1,0,1,0,0|2,0,0]=4 791 B11R2.35 NC1=CC(C2CC2)=CC=C1 C75291 [0,1,0,1,0,0|2,0,0]=4 792 B11R2.35 NC1=NC=NC(C2CC2)=C1 CS1587 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.1 BrCC1=CC=NO1 33595 [1,0,0,0,1,0|2,0,0]=4 794 B7R1.1 BrCC1=CN=CO1 92893 [1,0,0,0,1,0|2,0,0]=4 795 B7R1.1 BrCC1=COC=N1 70925 [1,0,0,0,1,0|2,0,0]=4 796 B7R1.1 BrCC1=CON=C1 95088 [1,0,0,0,1,0|2,0,0]=4 797 B7R1.1 BrCC1=CSC=N1 73558 [1,0,0,0,1,0|2,0,0]=4 798 B7R1.1 BrCC1=NC=CO1 92941 [1,0,0,0,1,0|2,0,0]=4 799 B7R1.1 BrCC1=NC=CS1 73557 [1,0,0,0,1,0|2,0,0]=4 800 B7R1.1 BrCC1=NOC=C1 71749 [1,0,0,0,1,0|2,0,0]=4 801 B7R1.1 CCC1=CNN=C1 72604 [1,0,0,0,1,0|1,0,0]=3 802 B7R1.1 CCC1=NN=CO1 C10407 [1,0,0,0,1,0|2,0,0]=4 803 B7R1.1 CCN1C=NC=N1 29522 [1,0,0,0,1,0|1,0,0]=3 804 B7R1.1 CNC1=NC=CO1 71780 [1,0,0,0,1,0|2,0,0]=4 805 B7R1.1 CNC1=NC=CS1 26158 [1,0,0,0,1,0|2,0,0]=4 806 B7R1.1 CNC1=NNC=C1 72540 [1,0,0,0,1,0|2,0,0]=4 807 B7R1.1 CNC1=NOC=C1 72015 [1,0,0,0,1,0|2,0,0]=4 808 B7R1.1 CNC1=NOC=C1 72539 [1,0,0,0,1,0|2,0,0]=4 809 B7R1.1 COC1=CNN=C1 79311 [1,0,0,0,1,0|2,0,0]=4 810 B7R1.1 COC1=NNC=C1 D79536 [1,0,0,0,1,0|2,0,0]=4 811 B7R1.1 CSC1=CN=CN1 W17049 [1,0,0,0,1,0|1,0,1]=4 812 B7R1.1 CSC1=CNN=C1 W10958 [1,0,0,0,1,0|2,0,0]=4 813 B7R1.1 CSC1=NC=CN1 AC1458 [1,0,0,0,1,0|1,0,1]=4 814 B7R1.1 CSC1=NC=CO1 O10533 [1,0,0,0,1,0|2,0,0]=4 815 B7R1.1 ClCC1=CC=CS1 79790 [1,0,0,0,1,0|2,0,0]=4 816 B7R1.1 ClCC1=CC=NO1 33348 [1,0,0,0,1,0|2,0,0]=4 817 B7R1.1 ClCC1=CN=CO1 RB3366 [1,0,0,0,1,0|2,0,0]=4 818 B7R1.1 ClCC1=COC=N1 D97597 [1,0,0,0,1,0|2,0,0]=4 819 B7R1.1 ClCC1=NC=CS1 BL005472 [1,0,0,0,1,0|2,0,0]=4 820 B7R1.1 ClCC1=NOC=C1 F13567 [1,0,0,0,1,0|2,0,0]=4 821 B7R1.1 NCC1=CC=CN1 25931 [1,0,0,0,1,0|1,0,1]=4 822 B7R1.1 NCC1=CC=NO1 33343 [1,0,0,0,1,0|2,0,0]=4 823 B7R1.1 NCC1=CC=NO1 33364 [1,0,0,0,1,0|2,0,0]=4 824 B7R1.1 NCC1=CN=CS1 24148 [1,0,0,0,1,0|2,0,0]=4 825 B7R1.1 NCC1=CNC=C1 F12967 [1,0,0,0,1,0|1,0,1]=4 826 B7R1.1 NCC1=CNC=N1 26566 [1,0,0,0,1,0|1,0,1]=4 827 B7R1.1 NCC1=CNN=C1 37585 [1,0,0,0,1,0|2,0,0]=4 828 B7R1.1 NCC1=CNN=C1 37586 [1,0,0,0,1,0|2,0,0]=4 829 B7R1.1 NCC1=COC=N1 25090 [1,0,0,0,1,0|2,0,0]=4 830 B7R1.1 NCC1=CON=C1 55763 [1,0,0,0,1,0|2,0,0]=4 831 B7R1.1 NCC1=CSC=N1 24147 [1,0,0,0,1,0|2,0,0]=4 832 B7R1.1 NCC1=CSC=N1 Y14444 [1,0,0,0,1,0|2,0,0]=4 833 B7R1.1 NCC1=NC=CN1 C72548 [1,0,0,0,1,0|1,0,1]=4 834 B7R1.1 NCC1=NNC=C1 36190 [1,0,0,0,1,0|2,0,0]=4 835 B7R1.1 NCC1=NNC=N1 AC1019 [1,0,0,0,1,0|2,0,0]=4 836 B7R1.1 NCC1=NOC=C1 W10075 [1,0,0,0,1,0|2,0,0]=4 837 B7R1.1 NCC1=NOC=N1 72520 [1,0,0,0,1,0|2,0,0]=4 838 B7R1.1 OCC1=CC=NO1 33580 [1,0,0,0,1,0|2,0,0]=4 839 B7R1.1 OCC1=CC=NS1 53001 [1,0,0,0,1,0|2,0,0]=4 840 B7R1.1 OCC1=CON=C1 73633 [1,0,0,0,1,0|2,0,0]=4 841 B7R1.1 OCC1=CSN=C1 83209 [1,0,0,0,1,0|2,0,0]=4 842 B7R1.1 OCC1=NNC=N1 83468 [1,0,0,0,1,0|2,0,0]=4 843 B7R1.1 OCC1=NNC=N1 F53081 [1,0,0,0,1,0|2,0,0]=4 844 B7R1.1 OCN1C=CN=C1 F11598 [1,0,0,0,1,0|2,0,0]=4 845 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,0,0,0,0,2|0,0,0]=2