0 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC(C)C1=NC=C(Br)C=C1 C71514 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(C)C1=NC=C(N)C=C1 D81293 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 CC(C)C1=NC=C(N)C=C1 RB1132 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(C)C1=NN=C(Br)C=C1 Y11125 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.13 CC(C)C1=NNC(=O)C=C1 65672 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,0,0,0,0,0|0,0,0]=0 15 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,0,0,0,0,0|1,0,1]=2 18 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,0,0,0,0,0|1,0,3]=4 19 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 CC1=CN=C(C(C)C)C=N1 W18369 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.13 CC1=CN=C([C@H](C)N)C=C1 Y10810 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.13 CC1=CN=C([C@H](C)N)C=N1 56575 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,0,0,0,0,0|1,0,0]=1 24 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 F16847 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 Y11095 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.13 CC1=NC=C([C@H](C)N)C=N1 AT24774 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 CN(C)C1=CN=C(Cl)C=C1 C15764 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.13 CN(C)C1=CN=C(N)C=C1 N10123 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,0,0,0,0,0|2,0,0]=2 39 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,0,0,0,0,0|2,0,0]=2 41 B10R1.13 C[C@H](N)C1=CN=C(Br)C=C1 81501 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11108 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.13 C[C@H](N)C1=CN=C(Cl)C=C1 N11223 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 66671 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74099 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 74101 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 81462 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 D82399 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 N11298 [0,0,0,0,0,0|3,0,0]=3 50 B10R1.13 C[C@H](N)C1=NC=C(Br)C=C1 Y11564 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 N13196 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.13 C[C@H](N)C1=NC=C(Cl)C=C1 Y12226 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 90530 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 F17006 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 N11135 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y10461 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y11597 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y13385 [0,0,0,0,0,0|3,0,0]=3 59 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 91193 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 C[C@H](N)C1=NC=C(F)C=N1 Y10520 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,0,0,0,0,0|1,0,0]=1 62 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,0,0,0,0,0|1,0,0]=1 63 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,0,0,0,0,0|1,0,0]=1 64 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.13 C[C@H](O)C1=CN=C(Cl)N=C1 P15879 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,0,0,0,0,0|2,0,0]=2 67 B10R1.13 C[C@H](O)C1=NC=C(F)C=N1 F52098 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.13 C[C@H](O)C1=NC=C(O)C=N1 W17842 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.13 FC(F)C1=CN=C(Cl)C=C1 D80116 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,0,0,0,0,0|2,0,2]=4 74 B10R1.13 NC1=CN=C(C(F)F)C=C1 O11506 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.13 NC1=CN=C(C(F)F)C=C1 W11082 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,0,0,0,0,0|3,0,1]=4 77 B10R1.13 OB(O)C1=NC=C(Br)C=C1 57235 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.13 OB(O)C1=NC=C(F)C=C1 F16224 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 OC1=CN=C(C(F)F)C=C1 D92853 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.1 BrCC1=NC=C(Br)C=C1 28859 [1,0,0,0,0,0|3,0,0]=4 81 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.1 CC1=CC=C(CN)N=N1 P14549 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 CC1=CN=C(CCl)N=C1 27405 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 CC1=CN=C(CN)N=C1 38455 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 CC1=CN=C(CN)N=C1 72570 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.1 CC1=CN=C(CN)N=C1 W10072 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 CC1=CN=C(CO)C=N1 26144 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 CC1=CN=C(CO)N=C1 38636 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.1 CC1=CN=C(NN)C=C1 BL010291 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.1 CC1=NC=C(CBr)C=N1 C76568 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 CC1=NC=C(CCl)C=N1 P16099 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.1 CC1=NC=C(CN)C=C1 72232 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.1 CC1=NC=C(CN)C=N1 81411 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.1 CC1=NN=C(CO)C=C1 P10568 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.1 CCC1=CN=C(N)C=N1 27455 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.1 CCC1=CN=C(O)C=C1 25325 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.1 CCC1=NC=C(Br)C=N1 27600 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.1 CCC1=NC=C(N)C=N1 81903 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.1 CCC1=NN=C(Cl)C=C1 59639 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.1 CCC1=NNC(=O)C=C1 65671 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.1 CNC1=CN=C(Br)C=C1 D86940 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.1 CNC1=NC=C(N)C=C1 C74450 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.1 COC1=CN=C(F)C=C1 98092 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [1,0,0,0,0,0|1,0,2]=4 118 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.1 ClCC1=CN=C(Br)C=C1 C71417 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.1 ClCC1=CN=C(Br)C=C1 C73235 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.1 ClCC1=NC=C(Br)C=C1 12269 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.1 ClCC1=NC=C(Br)C=C1 C77222 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.1 NCC1=CN=C(Br)C=C1 68600 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 NCC1=CN=C(N)C=C1 F13784 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 NCC1=CN=C(N)C=C1 P19117 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 NCC1=NC=C(Br)C=C1 32062 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 NCC1=NC=C(Cl)C=C1 W13681 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 NCC1=NC=C(F)C=C1 70856 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 NCC1=NC=C(N)C=C1 O11499 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 NCC1=NC=C(N)C=C1 W11510 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 NCC1=NC=C(O)C=C1 24338 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [1,0,0,0,0,0|1,0,0]=2 136 B9R1.1 OCC1=CN=C(Cl)N=C1 BL010346 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 OCC1=NC=C(Cl)C=N1 P10956 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 OCC1=NC=C(F)C=N1 P11889 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 OCC1=NN=C(Cl)C=C1 P11311 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,0,0|1,0,0]=2 143 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,0,0|1,0,0]=2 160 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [1,0,0,0,0,0|2,0,1]=4 165 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,1,0,0,0,0|0,0,3]=4 166 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.3 C=CC1=CC=C(N(C)C)C=C1 30617 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12652 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y12653 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.3 C=CC1=CC=C([C@H](C)N)C=C1 Y13029 [0,1,0,0,0,0|1,0,1]=3 171 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,1,0,0,0,0|0,0,2]=3 172 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 D81145 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.3 CCC1=CC=C([C@H](C)N)C=C1 Y13670 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.3 CCC1=NC=C(B(O)O)C=C1 FD10251 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.3 CNC1=CC=C(C(C)C)C=C1 D95133 [0,1,0,0,0,0|1,0,0]=2 178 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,1,0,0,0,0|0,0,0]=1 179 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,1,0,0,0,0|0,0,0]=1 180 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 Y13388 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20995 [0,1,0,0,0,0|1,0,0]=2 182 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 AT20996 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.3 CSC1=CC=C([C@H](C)N)C=C1 D81124 [0,1,0,0,0,0|1,0,0]=2 184 B11R1.3 CSC1=NC=C(B(O)O)C=C1 FD10014 [0,1,0,0,0,0|3,0,0]=4 185 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 50211 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 72478 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 F16907 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33613 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33618 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.3 C[C@H](N)C1=CC=C(CO)C=C1 33808 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13986 [0,1,0,0,0,0|0,0,1]=2 192 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,1,0,0,0,0|1,0,2]=4 193 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,1,0,0,0,0|1,0,1]=3 194 B11R1.3 FC(F)C1=CC=C(CBr)C=C1 72621 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,1,0,0,0,0|1,0,2]=4 196 B11R1.3 NCC1=CC=C(C(F)F)C=C1 71247 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,1,0,0,0,0|1,0,2]=4 198 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.3 NCC1=NC=C(C(F)F)C=C1 D78995 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,1,0,0,0,0|2,0,1]=4 203 B11R1.3 OCC1=CN=C(C(F)F)C=C1 P18143 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.3 OCC1=NC=C(B(O)O)C=C1 FD10242 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.19 CC(C)(C)C1=CN=C(Br)C=C1 P18025 [0,1,0,0,0,0|3,0,0]=4 206 B11R1.19 CC(C)(C)C1=CN=C(Cl)C=C1 P18762 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.19 CC(C)(C)C1=CN=C(N)C=C1 D95143 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.19 CC(C)(C)C1=NC=C(Br)C=C1 84353 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.19 CC(C)(C)C1=NC=C(O)C=C1 F30395 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.19 CC(C)(F)C1=CC=C(Br)C=C1 F51874 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.19 CC(C)(N)C1=CC=C(Br)C=C1 91218 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.19 CC(C)(N)C1=CC=C(F)C=C1 W17967 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.19 CC(C)(O)C1=CN=C(N)C=C1 W17246 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.19 CC(C)(O)C1=NC=C(Br)C=N1 W13360 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 20480 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 55666 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 63204 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 87616 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 91259 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C73216 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3396 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3405 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D83842 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F51928 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H11175 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P18527 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11121 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10985 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13813 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13814 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13829 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 38109 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 D70941 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.19 CC1=CN=C(C(F)(F)F)C=C1 33588 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 C75280 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC6545 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W10955 [0,1,0,0,0,0|2,0,1]=4 238 B11R1.19 O=P(O)(O)C1=CC=C(O)C=C1 T72323 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 FD13126 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [0,1,0,0,0,0|1,0,2]=4 241 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,1,0,0,0,0|1,0,2]=4 242 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,1,0,0,0,0|1,0,2]=4 243 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,1,0,0,0,0|1,0,2]=4 244 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,1,0,0,0,0|1,0,2]=4 245 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,1,0,0,0,0|0,0,2]=3 246 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,1,0,0,0,0|1,0,2]=4 247 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,1,0,0,0,0|1,0,2]=4 249 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,1,0,0,0,0|1,0,2]=4 250 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.21 CC(C)C1=CC(F)=C(Br)C=C1 D93757 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 F11367 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.21 CC(C)C1=CC(N)=C(N)C=C1 D78649 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,1,0,0,0,0|2,0,1]=4 255 B11R1.21 CC1=C(Br)C=CC(B(O)O)=C1 C74119 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y11738 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12483 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y12484 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13421 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.21 CC1=C(Br)C=CC([C@H](C)N)=C1 Y13422 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 N14401 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y12663 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.21 CC1=C(Br)C=NC([C@H](C)N)=C1 Y13395 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y10159 [0,1,0,0,0,0|1,0,0]=2 265 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y11763 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13629 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.21 CC1=C(C)C=C([C@H](C)N)C=C1 Y13905 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,1,0,0,0,0|2,0,1]=4 269 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,1,0,0,0,0|2,0,1]=4 270 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 F16970 [0,1,0,0,0,0|1,0,0]=2 271 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11029 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11059 [0,1,0,0,0,0|1,0,0]=2 273 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 Y11531 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 F16962 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10261 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10483 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.21 CC1=C(Cl)C=CC([C@H](C)N)=C1 Y10896 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.21 CC1=C(Cl)C=CC([C@H](C)O)=C1 W19076 [0,1,0,0,0,0|1,0,0]=2 279 B11R1.21 CC1=C(F)C=C(B(O)O)C=N1 D96927 [0,1,0,0,0,0|3,0,0]=4 280 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 N10471 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y10777 [0,1,0,0,0,0|1,0,0]=2 283 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14522 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.21 CC1=C(F)C=C([C@H](C)N)C=C1 Y14600 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20091 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 20093 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 F16977 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.21 CC1=C(F)C=CC([C@H](C)N)=C1 N14192 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.21 CC1=C(N)C=C(C(C)C)C=C1 34381 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11247 [0,1,0,0,0,0|1,0,0]=2 291 B11R1.21 CC1=C(N)C=C([C@H](C)N)C=C1 Y11248 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 F16733 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 W17226 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 F14410 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.21 CC1=CC(B(O)O)=CN=C1C 70908 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,1,0,0,0,0|2,0,1]=4 298 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,1,0,0,0,0|2,0,1]=4 299 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,1,0,0,0,0|2,0,1]=4 300 B11R1.21 CN(C)C1=CC(N)=C(N)C=C1 F31304 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.21 CN1C=CC(B(O)O)=CC1=O P15773 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.21 C[C@H](Br)C1=CC(F)=C(F)C=C1 C77557 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 N10463 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.21 C[C@H](N)C1=CC(Br)=C(F)C=C1 Y10442 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 N10743 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Br)C=C1 Y10815 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 I11039 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 N10849 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y10524 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.21 C[C@H](N)C1=CC(Cl)=C(Cl)C=C1 Y10673 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 N10467 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 N10948 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.21 C[C@H](N)C1=CC(Cl)=C(F)C=C1 Y10300 [0,1,0,0,0,0|2,0,0]=3 314 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y11210 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y11211 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.21 C[C@H](N)C1=CC(F)=C(Br)C=C1 Y12971 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 20137 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 F16865 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.21 C[C@H](N)C1=CC(F)=C(Cl)C=C1 N10497 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 73374 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y10166 [0,1,0,0,0,0|2,0,0]=3 322 B11R1.21 C[C@H](N)C1=CC(F)=C(F)C=C1 Y10893 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.21 NC1=C(F)C=C(B(O)O)C=C1 D86713 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,1,0,0,0,0|2,0,1]=4 325 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,1,0,0,0,0|2,0,1]=4 326 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,1,0,0,0,0|2,0,1]=4 327 B11R1.21 OB(O)C1=CC(Br)=C(F)C=C1 C11245 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.22 C#C[C@@H](O)C1=CC=C(F)C=C1 W16136 [0,1,0,0,0,0|1,0,1]=3 329 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 D81372 [0,1,0,0,0,0|2,0,1]=4 330 B11R1.22 C=C[C@H](N)C1=CC=C(Br)C=C1 N15256 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,1,0,0,0,0|0,0,2]=3 332 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,1,0,0,0,0|1,0,0]=2 335 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,1,0,0,0,0|1,0,0]=2 337 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 N11363 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y11568 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.22 CC1=NC=C([C@@H](N)CO)C=C1 Y13394 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,1,0,0,0,0|2,0,0]=3 343 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,1,0,0,0,0|2,0,0]=3 345 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,1,0,0,0,0|2,0,0]=3 352 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,0,0|1,0,2]=4 361 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,0,0|1,0,2]=4 362 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,1,0,0,0,0|1,0,2]=4 370 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.22 N#C[C@@H](O)C1=CC=C(Br)C=C1 W15228 [0,1,0,0,0,0|1,0,1]=3 372 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [0,1,0,0,0,0|2,0,0]=3 389 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 F16973 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 N11110 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.22 N[C@@H](CO)C1=CN=C(Cl)C=C1 Y11040 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.22 N[C@@H](CO)C1=NC=C(Br)C=C1 Y11194 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12228 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12229 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.22 N[C@@H](CO)C1=NC=C(F)C=C1 Y12625 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,1,0,0,0,0|1,0,2]=4 403 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,1,0,0,0,0|1,0,2]=4 404 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 65916 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [0,1,0,0,0,0|2,0,1]=4 407 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,1,0,0,0,0|0,0,2]=3 408 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,1,0,0,0,0|1,0,2]=4 409 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,1,0,0,0,0|1,0,2]=4 410 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,1,0,0,0,0|1,0,2]=4 411 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,1,0,0,0,0|1,0,2]=4 412 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,1,0,0,0,0|0,0,2]=3 413 B11R1.166 CC(C)C1=C(O)C=C(N)C=C1 F51191 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.166 CC(C)N1C=CC(Br)=CC1=O W11507 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.166 CC(C)N1C=CC(N)=CC1=O P17103 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.166 CC1=C(B(O)O)C=CC(Br)=C1 A12288 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.166 CC1=C(C(C)C)C=CC(N)=C1 A12536 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10861 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y10895 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11476 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.166 CC1=C([C@H](C)N)C=CC(Cl)=C1 Y11477 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11919 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y11920 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.166 CC1=C([C@H](C)N)C=CC(F)=C1 Y12621 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.166 CC1=CC(Cl)=C([C@H](C)N)C=C1 D81528 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.166 CC1=NC(C)=C(B(O)O)C=C1 FD10078 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.166 C[C@H](N)C1=C(Br)C=C(Cl)C=N1 79345 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.166 C[C@H](N)C1=C(Br)C=C(F)C=C1 20177 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 D81223 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 Y10218 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.166 C[C@H](N)C1=C(Cl)C=C(Cl)C=C1 Y10360 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 D80666 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.166 C[C@H](N)C1=C(Cl)C=C(F)C=C1 D81664 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 41021 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 41031 [0,1,0,0,0,0|2,0,0]=3 440 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 N10675 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 N10686 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 Y10648 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.166 C[C@H](N)C1=C(F)C=C(Br)C=C1 Y11061 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N16827 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N16937 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.166 C[C@H](N)C1=C(F)C=C(Cl)C=C1 N17056 [0,1,0,0,0,0|2,0,0]=3 447 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=C1 N10465 [0,1,0,0,0,0|2,0,0]=3 448 B11R1.166 C[C@H](N)C1=C(F)C=C(F)C=N1 50880 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.166 C[C@H](N)C1=NC=C(Cl)C=C1F BL010225 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=N1 79310 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.166 C[C@H](O)C1=NC=C(Cl)C=C1F BL010226 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.166 FC(F)C1=C(Br)C=C(Cl)C=C1 55947 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.166 OB(O)C1=C(F)C=C(Br)C=C1 I12620 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 I12051 [0,1,0,0,0,0|3,0,0]=4 457 B11R2.34 BrC1=CN=C(C2CC2)C=C1 82181 [0,0,0,1,0,0|3,0,0]=4 458 B11R2.34 BrC1=NC=C(C2CC2)C=C1 81857 [0,0,0,1,0,0|3,0,0]=4 459 B11R2.34 ClC1=NC=C(C2CC2)C=C1 81869 [0,0,0,1,0,0|3,0,0]=4 460 B11R2.34 NC1=CC=C(C2CC2)C=C1 26267 [0,0,0,1,0,0|2,0,0]=3 461 B11R2.34 NC1=CC=C(C2CC2)C=C1 33400 [0,0,0,1,0,0|2,0,0]=3 462 B11R2.34 NC1=CN=C(C2CC2)C=C1 C71516 [0,0,0,1,0,0|3,0,0]=4 463 B11R2.34 NC1=NC=C(C2CC2)C=C1 94373 [0,0,0,1,0,0|3,0,0]=4 464 B11R2.34 OC1=NC=C(C2CC2)C=C1 C71515 [0,0,0,1,0,0|3,0,0]=4 465 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,0,0,0,1,0|1,0,2]=4 466 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,0,0,0,1,0|2,0,1]=4 467 B9R1.35 CC1=CNC(C(C)C)=N1 F31131 [0,0,0,0,1,0|3,0,0]=4 468 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,0,0,0,1,0|2,0,1]=4 469 B9R1.35 C[C@H](N)C1=CC(Br)=CS1 D81119 [0,0,0,0,1,0|3,0,0]=4 470 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y11515 [0,0,0,0,1,0|3,0,0]=4 471 B9R1.35 C[C@H](N)C1=CC=C(Br)O1 Y13452 [0,0,0,0,1,0|3,0,0]=4 472 B9R1.35 C[C@H](N)C1=CN(C)N=C1 79129 [0,0,0,0,1,0|3,0,0]=4 473 B9R1.35 C[C@H](N)C1=CN(C)N=C1 P10329 [0,0,0,0,1,0|3,0,0]=4 474 B9R1.35 C[C@H](O)C1=CSC(Cl)=C1 38491 [0,0,0,0,1,0|2,0,0]=3 475 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,0,0,0,0,1|1,0,2]=4 476 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [0,0,0,0,0,1|2,0,0]=3 477 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [0,0,0,0,0,1|3,0,0]=4 478 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [0,0,0,0,0,1|3,0,0]=4 479 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [0,0,0,0,0,1|2,0,0]=3 480 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [0,0,0,0,0,1|3,0,0]=4 481 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [0,0,0,0,0,1|1,0,0]=2 482 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,0,0,0,0,1|2,0,1]=4 483 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [0,0,0,0,0,1|2,0,0]=3 484 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [0,0,0,0,0,1|2,0,0]=3 485 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [0,0,0,0,0,1|2,0,0]=3 486 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [0,0,0,0,0,1|2,0,0]=3 487 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [0,0,0,0,0,1|2,0,0]=3 488 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [0,0,0,0,0,1|2,0,0]=3 489 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [0,0,0,0,0,1|2,0,0]=3 490 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [0,0,0,0,0,1|2,0,0]=3 491 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,0,0,0,0,1|1,0,0]=2 492 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,0,0,0,0,1|2,0,1]=4 493 B8R1.2 CCC1=NC=NC=C1 F17281 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.2 NCC1=CC=CC=C1 RB3068 [2,0,0,0,0,0|1,0,0]=3 495 B8R1.2 NCC1=CC=NC=C1 35876 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.2 OCC1=CN=NC=C1 37054 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.2 SCC1=CC=NC=C1 F18336 [2,0,0,0,0,0|1,1,0]=4 498 B8R1.2 SCC1=CN=CC=C1 F18343 [2,0,0,0,0,0|1,1,0]=4 499 B8R1.2 SCC1=NC=CC=C1 Y10072 [2,0,0,0,0,0|1,1,0]=4 500 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [2,0,0,0,0,0|1,0,1]=4 501 B8R1.3 CC1=CC=C(C)N=N1 S11370 [2,0,0,0,0,0|2,0,0]=4 502 B8R1.3 CC1=CN=C(O)C=N1 84954 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.3 CC1=NC=C(I)C=C1 C10582 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.3 CC1=NC=C(O)C=N1 25911 [2,0,0,0,0,0|2,0,0]=4 505 B8R1.3 NC1=CC=C(O)C=C1 C75965 [2,0,0,0,0,0|1,0,0]=3 506 B8R1.3 NC1=NC=C(O)C=C1 BL008086 [2,0,0,0,0,0|2,0,0]=4 507 B8R1.3 SC1=CC=C(I)C=C1 F20637 [2,0,0,0,0,0|1,1,0]=4 508 B10R1.1 C=CCC1=CC=C(O)C=C1 AC1877 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.1 CC1=CC=C(CNN)C=C1 O10109 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.1 CC1=CN=C(CC#N)C=C1 C74949 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.1 CC1=CN=C(CCN)N=C1 73044 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.1 CC1=NC=C(CCO)C=C1 54746 [1,1,0,0,0,0|1,0,0]=3 513 B10R1.1 CCNC1=CC=C(F)C=C1 AB11321 [1,1,0,0,0,0|1,0,0]=3 514 B10R1.1 CCOC1=NC=C(Cl)C=C1 F52729 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.1 CCSC1=CC=C(C)C=C1 H10147 [1,1,0,0,0,0|0,0,0]=2 516 B10R1.1 CNCC1=CC=C(O)C=C1 31972 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.1 COCC1=CC=C(O)C=C1 63646 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.1 CSCC1=CC=C(Br)C=C1 W19176 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.1 CSCC1=CC=C(C)C=C1 W19462 [1,1,0,0,0,0|0,0,0]=2 520 B10R1.1 CSCC1=CC=C(F)C=C1 W18716 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.1 NCCC1=CN=C(Cl)C=C1 85004 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.1 NNCC1=CC=C(F)C=C1 36999 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.1 NOCC1=CC=C(Cl)C=C1 78769 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.1 O=CCC1=CC=C(Cl)C=C1 74968 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.1 OCCC1=NC=C(Br)C=C1 37598 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.1 OCCC1=NC=C(F)C=C1 P18353 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.3 C#CC1=CC=C(CBr)C=C1 79956 [1,1,0,0,0,0|0,0,2]=4 528 B10R1.3 C#CC1=CC=C(CCl)C=C1 79958 [1,1,0,0,0,0|0,0,2]=4 529 B10R1.3 C#CC1=CN=C(CO)C=C1 AC2758 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.3 C=CC1=CC=C(CO)C=C1 F14590 [1,1,0,0,0,0|0,0,1]=3 531 B10R1.3 CNC1=CC=C(C=O)C=C1 D93507 [1,1,0,0,0,0|0,0,2]=4 532 B10R1.3 CNC1=CC=C(CO)C=C1 20987 [1,1,0,0,0,0|0,0,0]=2 533 B10R1.3 COC1=CN=C(CBr)C=C1 O10508 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.3 COC1=CN=C(CCl)C=C1 81763 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.3 COC1=CN=C(CN)C=C1 AC7188 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.3 COC1=CN=C(CO)N=C1 F30447 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.3 COC1=NC=C(CCl)C=C1 82159 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.3 COC1=NC=C(CN)C=C1 C73256 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.3 COC1=NC=C(CO)C=N1 P11192 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.3 COC1=NC=C(CO)N=C1 F30445 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.3 COC1=NN=C(CO)C=C1 P11745 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.3 CSC1=CC=C(NN)C=C1 79686 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.3 CSC1=NC=C(CO)C=N1 S10007 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.3 N#CC1=CN=C(CO)C=C1 36548 [1,1,0,0,0,0|1,0,1]=4 545 B10R1.3 NCC1=CC=C(CBr)C=C1 54465 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.3 NCC1=CC=C(CCl)C=C1 51899 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.3 O=CC1=CC=C(CCl)C=C1 CL9238 [1,1,0,0,0,0|0,0,2]=4 548 B10R1.3 SCC1=CC=C(CS)C=C1 T70041 [1,1,0,0,0,0|0,1,0]=3 549 B10R1.25 CC1=C(CBr)C=CC(Br)=C1 93716 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.25 CC1=C(CCl)C=CC(Br)=C1 AB10222 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.25 CC1=C(CF)C=CC(Br)=C1 C73525 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.25 CC1=C(CN)C=CC(Br)=C1 C71550 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.25 CC1=C(CO)C=CC(N)=C1 F19834 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.25 CC1=CC(Br)=C(CN)C=C1 W19042 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 N12896 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.25 CC1=CC(F)=C(NN)C=C1 D82866 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.25 CC1=CC(F)=C(NN)C=C1 W17784 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.25 CC1=CC(N)=C(CO)C=N1 C72979 [1,1,0,0,0,0|1,0,0]=3 564 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.25 CCC1=C(Br)C=C(N)C=C1 27953 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.25 CCC1=C(Br)C=C(O)C=C1 Y11628 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 W17033 [1,1,0,0,0,0|1,0,0]=3 571 B10R1.25 CCC1=C(F)C=C(Br)C=C1 D82415 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.25 CCC1=C(F)C=C(O)C=C1 C11362 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.25 CCC1=C(N)C=C(Br)C=C1 C72839 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.25 CCC1=C(N)C=C(Cl)C=C1 C74962 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.25 CCN1C=CC(Br)=CC1=O P13647 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.25 CNC1=C(Br)C=C(F)C=C1 71883 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.25 CNC1=C(C)C=C(O)C=C1 C16321 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.25 COC1=C(C)C=C(O)C=C1 95659 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.25 COC1=C(Cl)C=C(I)C=C1 F15482 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.25 COC1=CC=C(C)N=C1I F30133 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.25 CSC1=C(Br)C=C(F)C=C1 69928 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.25 CSC1=C(Cl)C=C(Br)C=C1 Y11168 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.25 CSC1=C(F)C=C(N)C=C1 94984 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.25 FC1=C(CBr)C=CC(I)=C1 55991 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.25 FC1=CC(I)=C(CBr)C=C1 56051 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.25 NC1=C(CO)C=CC(Br)=N1 97230 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.25 NC1=CC(Br)=CN=C1CO 39153 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.25 NCC1=C(Br)C=C(Cl)C=C1 C73878 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.25 NCC1=C(Br)C=C(F)C=C1 Y11612 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.25 NCC1=C(Cl)C=C(Br)C=C1 Y12485 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.25 NCC1=C(F)C=C(O)C=C1 N14725 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.25 NCC1=C(O)C=C(Br)C=C1 N13143 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.25 OCC1=C(Br)C=C(Cl)C=N1 BL010228 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.25 OCC1=C(Br)C=C(O)C=C1 98273 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.25 OCC1=C(Cl)C=C(F)C=N1 BL010214 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.25 OCC1=C(Cl)C=C(O)C=C1 CL9122 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.25 OCC1=C(F)C=C(F)C=N1 78724 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.25 OCC1=C(F)N=C(Cl)C=C1 D70022 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.25 OCC1=C(I)C=C(Cl)C=C1 95677 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.25 OCC1=C(O)C=C(Br)C=C1 35526 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.25 OCC1=CC=C(Br)N=C1Br C75600 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.25 OCC1=NC=C(Br)C=C1Cl 97688 [1,1,0,0,0,0|2,0,0]=4 607 B10R1.176 BrCC1=CC(Br)=C(Br)C=C1 C76015 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.176 CC1=C(Br)C=C(CO)N=C1 AC5138 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.176 CC1=C(Br)C=C(CO)N=C1 F31019 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.176 CC1=C(Br)C=CC(CN)=C1 N12558 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.176 CC1=C(Br)C=CC(CN)=C1 Y12257 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.176 CC1=C(Br)C=CC(CO)=N1 91337 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.176 CC1=C(F)C=CC(CBr)=C1 D87871 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.176 CC1=C(O)C=C(C=O)C=C1 W16814 [1,1,0,0,0,0|0,0,2]=4 615 B10R1.176 CC1=C(O)C=CC(CN)=C1 N14331 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.176 CC1=C(O)C=CC(CO)=C1 C73536 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.176 CCC1=CC(Br)=C(C)C=C1 D93128 [1,1,0,0,0,0|0,0,0]=2 618 B10R1.176 CCC1=CC(Br)=C(I)C=C1 Y11303 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.176 CCC1=CC(C)=C(C)C=C1 C77212 [1,1,0,0,0,0|0,0,0]=2 620 B10R1.176 CCC1=CC(C)=C(I)C=C1 W17700 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.176 CCC1=CC(F)=C(N)C=C1 N13141 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.176 CCC1=CC(N)=C(N)C=C1 76101 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.176 CCC1=CC(O)=C(Cl)C=C1 O10732 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.176 CCC1=NC(Cl)=C(Br)C=C1 C72403 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.176 CN1C=C(CO)C=CC1=O 37238 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.176 CN1C=CC(CN)=CC1=O 37096 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.176 CN1C=CC(CO)=CC1=O 37252 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.176 COC1=CC(=O)N(C)C=C1 79097 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.176 COC1=CC(Br)=C(C)C=N1 P20929 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.176 COC1=CC(Br)=C(C)N=C1 P12000 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.176 COC1=CC(Cl)=C(I)C=C1 D72033 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.176 COC1=CC(O)=C(N)C=C1 20700 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.176 COC1=CC(O)=C(O)C=C1 F18177 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.176 COC1=NC=C(C)C(N)=C1 C72054 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.176 ClC1=C(Br)C=CC(CBr)=C1 76034 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.176 FC1=C(I)C=CC(CBr)=C1 CL9459 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.176 NC1=C(F)C=C(CO)C=C1 74966 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.176 NC1=C(O)C=CC(CO)=C1 Y13579 [1,1,0,0,0,0|1,0,0]=3 639 B10R1.176 NCC1=CC(F)=C(Br)C=C1 95673 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.176 NCC1=CC(F)=C(Br)C=C1 CS1629 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.176 NCC1=CC(F)=C(N)C=C1 C90556 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.176 NCC1=CC(O)=C(Cl)C=C1 Y11334 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.176 NCC1=CC(O)=C(F)C=C1 D71055 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.176 NCC1=CC(O)=C(O)C=C1 S11863 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.176 OC1=C(F)C=CC(CCl)=C1 D79295 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.176 OCC1=CC(Cl)=C(F)C=N1 P10865 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.176 OCC1=CC(I)=C(Cl)N=C1 C72451 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.176 OCC1=CC(O)=C(F)C=C1 C77207 [1,1,0,0,0,0|1,0,0]=3 649 B10R1.176 OCC1=CN=C(Cl)C(Cl)=C1 89008 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,1,0,0,0,0|0,0,1]=3 651 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,1,0,0,0,0|0,0,1]=3 652 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [1,1,0,0,0,0|1,0,1]=4 653 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,1,0,0,0,0|1,0,1]=4 654 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,1,0,0,0,0|1,0,1]=4 655 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,1,0,0,0,0|1,0,1]=4 656 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,1,0,0,0,0|1,0,1]=4 657 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,1,0,0,0,0|0,0,0]=2 672 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,1,0,0,0,0|0,0,0]=2 673 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,1,0,0,0,0|1,0,0]=3 675 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,1,0,0,0,0|1,0,1]=4 685 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,1,0,0,0,0|0,0,0]=2 686 B10R1.28 CC(C)(N)C1=CC=CN=C1 27050 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.28 CC(C)(N)C1=CC=NC=C1 F17065 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.28 CC(C)(N)C1=NC=CC=C1 F20062 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [1,1,0,0,0,0|1,0,0]=3 690 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.61 CC(C)C1=C(N)C=CN=C1 C77054 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.61 CC(C)C1=C(O)C=CC=N1 72523 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.61 CC(C)C1=CC=CN=C1Br C72641 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.61 CC(C)C1=CC=CN=C1N 60027 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.61 CC(C)C1=NC=CC=C1N C72482 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [1,1,0,0,0,0|1,0,0]=3 702 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [1,1,0,0,0,0|1,0,0]=3 705 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y11090 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12107 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y12108 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13392 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.61 CC1=CC=CN=C1[C@H](C)N Y13393 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.61 CC1=NC=CC=C1[C@H](C)N Y12491 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.61 C[C@H](Cl)C1=C(F)C=NC=C1 W10402 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [1,1,0,0,0,0|1,0,0]=3 714 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70080 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 90519 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 D81561 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=N1 90516 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [1,1,0,0,0,0|1,0,0]=3 727 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [1,1,0,0,0,0|1,0,0]=3 728 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13070 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.61 C[C@H](N)C1=C(F)C=CC=N1 N13095 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [1,1,0,0,0,0|1,0,0]=3 731 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [1,1,0,0,0,0|0,0,0]=2 732 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [1,1,0,0,0,0|0,0,0]=2 733 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [1,1,0,0,0,0|0,0,0]=2 734 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [1,1,0,0,0,0|1,0,0]=3 736 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [1,1,0,0,0,0|0,0,0]=2 737 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [1,1,0,0,0,0|1,0,0]=3 738 B10R1.61 NC1=C(C(F)F)C=CC=C1 72620 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [1,1,0,0,0,0|1,0,1]=4 740 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [1,1,0,0,0,0|1,0,1]=4 741 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [1,1,0,0,0,0|0,0,2]=4 742 B10R1.113 CC(C)C1=CC(Br)=CN=C1 C71734 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.113 CC(C)C1=CC=CC(=O)N1 D96359 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.113 CC(C)C1=CC=CC(Br)=N1 35873 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 O10744 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.113 CC(C)C1=CN=CC(N)=C1 C72026 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.113 CC(C)C1=NC=CC(Br)=C1 F52115 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.113 CC(C)C1=NC=CC(Cl)=C1 C77363 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.113 CC(C)C1=NC=CC(N)=C1 F52587 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [1,1,0,0,0,0|1,0,0]=3 752 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [1,1,0,0,0,0|1,0,0]=3 753 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [1,1,0,0,0,0|1,0,0]=3 756 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [1,1,0,0,0,0|0,0,0]=2 757 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [1,1,0,0,0,0|0,0,0]=2 758 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11263 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.113 CC1=NC=CC([C@H](C)N)=C1 Y11474 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 D81619 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 N10536 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y11879 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.113 C[C@H](N)C1=CC(Br)=CN=C1 Y13386 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y10857 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.113 C[C@H](N)C1=CC(Br)=NC=C1 Y11465 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10750 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 N10751 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y11065 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.113 C[C@H](N)C1=CC(Cl)=CN=C1 Y13387 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 74119 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 N11225 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y12112 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13390 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.113 C[C@H](N)C1=CC(Cl)=NC=C1 Y13391 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 90830 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y10994 [1,1,0,0,0,0|2,0,0]=4 778 B10R1.113 C[C@H](N)C1=CC(F)=CN=C1 Y11212 [1,1,0,0,0,0|2,0,0]=4 779 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [1,1,0,0,0,0|1,0,0]=3 780 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 90542 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81642 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 D81648 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 N11222 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12109 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y12110 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.113 C[C@H](N)C1=CC=CC(Br)=N1 Y13396 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [1,1,0,0,0,0|1,0,0]=3 789 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [1,1,0,0,0,0|1,0,0]=3 790 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [1,1,0,0,0,0|1,0,0]=3 791 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 N11224 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=N1 Y11269 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [1,1,0,0,0,0|1,0,0]=3 795 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90537 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 90538 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y11175 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.113 C[C@H](N)C1=CC=CC(F)=N1 Y14741 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [1,1,0,0,0,0|1,0,0]=3 804 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [1,1,0,0,0,0|1,0,0]=3 805 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [1,1,0,0,0,0|1,0,0]=3 806 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [1,1,0,0,0,0|0,0,0]=2 809 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [1,1,0,0,0,0|0,0,0]=2 810 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [1,1,0,0,0,0|0,0,0]=2 811 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [1,1,0,0,0,0|0,0,0]=2 812 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [1,1,0,0,0,0|1,0,0]=3 813 B10R1.113 FC(F)C1=CC=CC(I)=C1 72424 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.113 OC1=CC=CC(C(F)F)=C1 71582 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33601 [0,1,0,0,1,0|2,0,0]=4 816 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33602 [0,1,0,0,1,0|2,0,0]=4 817 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 33622 [0,1,0,0,1,0|2,0,0]=4 818 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10462 [0,1,0,0,1,0|2,0,0]=4 819 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10471 [0,1,0,0,1,0|2,0,0]=4 820 B10R1.14 CC[C@H](N)C1=CC=C(C)O1 Y10537 [0,1,0,0,1,0|2,0,0]=4 821 B10R1.59 CC1=NN(C)C=C1[C@H](C)O 71775 [0,1,0,0,1,0|2,0,0]=4 822 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 C77608 [0,1,0,0,0,1|0,0,2]=4 823 B12R1.4 CC(=O)NC1=CC=C(CN)C=C1 F19945 [0,1,0,0,0,1|0,0,2]=4 824 B12R1.4 CC(C)NC1=CC=C(C#N)C=C1 W15912 [0,1,0,0,0,1|1,0,1]=4 825 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 N12164 [0,1,0,0,0,1|1,0,0]=3 826 B12R1.4 CCC1=CC=C(NC(C)=O)C=C1 Y10852 [0,1,0,0,0,1|0,0,2]=4 827 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13064 [0,1,0,0,0,1|1,0,0]=3 828 B12R1.4 COC1=CC=C(OC(C)=O)C=C1 C11131 [0,1,0,0,0,1|0,0,2]=4 829 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CK1029 [0,1,0,0,0,1|1,0,1]=4 830 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 AC6356 [0,1,0,0,0,1|1,0,1]=4 831 B12R1.19 CC1=C(Br)C=C(CC(=O)O)C=C1 97482 [0,1,0,0,0,1|1,0,1]=4 832 B12R1.19 CC1=C(N)C=C(OC(C)C)C=C1 W11212 [0,1,0,0,0,1|1,0,0]=3 833 B12R1.19 CC1=C(N)C=CC(OC(C)C)=C1 W16012 [0,1,0,0,0,1|2,0,0]=4 834 B12R1.20 CC(=O)N(C)C1=CC=C(C)C=C1 D93545 [0,1,0,0,0,1|0,0,2]=4 835 B12R1.20 CC(C)C(=O)C1=CC=C(O)C=C1 D76549 [0,1,0,0,0,1|2,0,0]=4 836 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 F16981 [0,1,0,0,0,1|2,0,0]=4 837 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y11062 [0,1,0,0,0,1|2,0,0]=4 838 B12R1.20 CC(C)[C@H](N)C1=CC=C(Br)C=C1 Y14022 [0,1,0,0,0,1|2,0,0]=4 839 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 F31299 [0,1,0,0,0,1|2,0,0]=4 840 B12R1.20 CC(C)[C@H](N)C1=CC=C(Cl)C=C1 N12762 [0,1,0,0,0,1|2,0,0]=4 841 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10284 [0,1,0,0,0,1|2,0,0]=4 842 B12R1.20 CC(C)[C@H](N)C1=CC=C(F)C=C1 Y10285 [0,1,0,0,0,1|2,0,0]=4 843 B12R1.20 CC1=CC=C(C(=O)C(Br)Br)C=C1 D93381 [0,1,0,0,0,1|2,0,0]=4 844 B12R1.20 CC1=CC=C(C(=O)C(C)C)C=C1 N13973 [0,1,0,0,0,1|1,0,0]=3 845 B12R1.20 CC1=CC=C(C(=O)C(Cl)Cl)C=C1 W17856 [0,1,0,0,0,1|2,0,0]=4 846 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 D80223 [0,1,0,0,0,1|1,0,1]=4 847 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 Y13382 [0,1,0,0,0,1|1,0,1]=4 848 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11241 [0,1,0,0,0,1|1,0,0]=3 849 B12R1.20 CC1=CC=C([C@@H](N)C(C)C)C=C1 Y11242 [0,1,0,0,0,1|1,0,0]=3 850 B12R1.20 CC1=CC=C([C@@H](O)C(=O)O)C=C1 F20952 [0,1,0,0,0,1|1,0,1]=4 851 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Cl)C=C1 W12152 [0,1,0,0,0,1|2,0,0]=4 852 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 25133 [0,1,0,0,0,1|2,0,0]=4 853 B12R1.49 CC1=CC=C(O[C@@H](C)CN)C=C1 AR3806 [0,1,0,0,0,1|1,0,0]=3 854 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,1|0,0,2]=4 855 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3803 [0,1,0,0,0,1|2,0,0]=4 856 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3971 [0,1,0,0,0,1|2,0,0]=4 857 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [0,1,0,0,0,1|2,0,0]=4 858 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [0,1,0,0,0,1|2,0,0]=4 859 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [0,1,0,0,0,1|2,0,0]=4 860 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [0,1,0,0,0,1|2,0,0]=4 861 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [0,1,0,0,0,1|2,0,0]=4 862 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [0,1,0,0,0,1|2,0,0]=4 863 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [0,1,0,0,0,1|2,0,0]=4 864 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [0,1,0,0,0,1|2,0,0]=4 865 B12R1.106 CC(C)(N)CC1=CC=C(Br)C=C1 85007 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.106 CC1=CC=C(OC(C)(C)C)C=C1 CK2379 [0,1,0,0,0,1|1,0,0]=3 867 B12R1.233 CC(=O)NC1=C(O)C=C(C)C=C1 D96026 [0,1,0,0,0,1|0,0,2]=4 868 B12R1.233 CC(C)OC1=C(F)C=C(N)C=C1 24274 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.233 CC(C)OC1=C(N)C=C(Br)C=C1 C90902 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.233 CC1=CC(Br)=C(OC(C)C)N=C1 C76432 [0,1,0,0,0,1|2,0,0]=4 871 B12R1.1021 CC(C)C1=CC=CC(=O)C(O)=C1 C75327 [0,1,0,0,0,1|2,0,0]=4 872 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y12655 [0,2,0,0,0,0|1,0,1]=4 873 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13063 [0,2,0,0,0,0|1,0,1]=4 874 B12R1.5 C=CC1=CC=C([C@@H](N)CC)C=C1 Y13303 [0,2,0,0,0,0|1,0,1]=4 875 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13037 [0,2,0,0,0,0|1,0,1]=4 876 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13064 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.5 C=CC1=CC=C([C@@H](N)CO)C=C1 Y13312 [0,2,0,0,0,0|1,0,1]=4 878 B12R1.5 CCC1=CC=C(C(=O)CCl)C=C1 W16149 [0,2,0,0,0,0|0,0,2]=4 879 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 N10942 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10277 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.5 CC[C@H](N)C1=CC=C(OC)C=C1 Y10898 [0,2,0,0,0,0|1,0,0]=3 882 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 C74747 [0,2,0,0,0,0|0,0,2]=4 883 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N10529 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 N11095 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10338 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 Y10646 [0,2,0,0,0,0|1,0,0]=3 887 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 N11112 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 N11113 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.5 COC1=NC=C([C@@H](N)CO)C=C1 Y11041 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12062 [0,2,0,0,0,0|1,0,1]=4 891 B12R1.5 N#CC1=CC=C([C@@H](N)CO)C=C1 Y12063 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.6 CC(C)(N)C1=CC=C(C#N)C=C1 AC3687 [0,2,0,0,0,0|1,0,1]=4 893 B12R1.6 COC1=CC=C(C(C)(C)N)C=C1 N11053 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.6 COC1=CC=C(P(=O)(O)O)C=C1 T72088 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.48 CC1=C(CO)C=CC(B(O)O)=C1 H11429 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 C77389 [0,2,0,0,0,0|1,0,1]=4 897 B12R1.48 CCC1=C(F)C=C(C(=O)O)C=C1 36886 [0,2,0,0,0,0|1,0,1]=4 898 B12R1.48 CNC1=C(N)C=C(C(C)=O)C=C1 24155 [0,2,0,0,0,0|0,0,2]=4 899 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 N12277 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10287 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 Y10288 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.48 COC1=C(O)C=C(B(O)O)C=C1 R10067 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.48 O=C(O)C1=CC(F)=C(CBr)C=C1 C90464 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.48 O=C(O)C1=CC(F)=C(CO)C=C1 W10220 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.48 O=C(O)C1=CC(O)=C(CO)C=C1 D80533 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 D93345 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CL9094 [0,2,0,0,0,0|0,0,2]=4 908 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 78059 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.113 CC(C)C1=CC=C(CCN)C=C1 W17705 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.113 CCOC1=CC=C([C@H](C)O)C=C1 A12294 [0,2,0,0,0,0|0,0,0]=2 911 B12R1.113 CN(C)C1=CC=C(CCN)C=C1 25981 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 I12448 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 C75240 [0,2,0,0,0,0|1,0,1]=4 914 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20153 [0,2,0,0,0,0|1,0,0]=3 915 B12R1.256 CC(=O)C1=CN=C(C(C)C)C=C1 D84331 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 C72515 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT12999 [0,2,0,0,0,0|1,0,0]=3 918 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 AT13000 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 31107 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.256 C[C@H](Br)C1=CC=C([N+](=O)[O-])C=C1 F52534 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 F31037 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10456 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 Y10681 [0,2,0,0,0,0|1,0,1]=4 924 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 N14664 [0,2,0,0,0,0|1,0,0]=3 925 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 I10507 [0,2,0,0,0,0|1,0,0]=3 926 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y10813 [0,2,0,0,0,0|1,0,0]=3 927 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y10953 [0,2,0,0,0,0|1,0,0]=3 928 B12R1.256 C[C@H](N)C1=CC=C([N+](=O)[O-])C=C1 Y10258 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.256 C[C@H](O)C1=CC=C(B(O)O)C=C1 33993 [0,2,0,0,0,0|1,0,0]=3 930 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 C77341 [0,2,0,0,0,0|0,0,1]=3 931 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 C71562 [0,2,0,0,0,0|0,0,1]=3 932 B12R1.256 C[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 A12664 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 94898 [0,2,0,0,0,0|1,0,1]=4 934 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11737 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11923 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.452 COC1=CC(C)=C([C@H](C)N)C=C1 Y11924 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 75061 [0,2,0,0,0,0|0,0,2]=4 938 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11507 [0,2,0,0,0,0|1,0,0]=3 939 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y11508 [0,2,0,0,0,0|1,0,0]=3 940 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y13370 [0,2,0,0,0,0|1,0,0]=3 941 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 67888 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10213 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y10289 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 Y11913 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 52087 [0,2,0,0,0,0|0,0,2]=4 946 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 75574 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.452 C[C@H](N)C1=C(Cl)C=C(C#N)C=C1 D81128 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.452 C[C@H](N)C1=C(F)C=C(C#N)C=C1 D80837 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.9 CC1=CC=C(C(C)(C)C#N)C=C1 74578 [0,2,0,0,0,0|1,0,0]=3 950 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 D72514 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.23 CC(C)(C)C1=CC(I)=C(O)C=C1 C74982 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.23 CC(C)(C)C1=CC(N)=C(Br)C=C1 C16025 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.23 CC(C)(C)C1=CC(O)=C(N)C=C1 D94464 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.23 CC(C)(C)C1=CC(O)=C(O)C=C1 D77815 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.23 CC1=C(Br)C=NC(C(C)(C)O)=C1 AT10316 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.23 CC1=CC(C(C)(C)O)=CN=C1C D93876 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.126 CC(C)(C)C1=C(Br)C=C(N)C=C1 71996 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.126 CC(C)(C)C1=C(Cl)C=C(N)C=C1 D93491 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.126 CC(C)(N)C1=C(Cl)C=C(Cl)C=C1 C71803 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.126 CC1=CC(O)=C(S(=O)(=O)O)C=C1 N11832 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.56 CC(C)C1=CC(C#N)=C(N)C=C1 30334 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.56 CC(C)C1=CC(C=O)=C(O)C=C1 Y11305 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.56 CC1=C(C#N)C=C(B(O)O)C=C1 72046 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.56 CC1=C(CO)C=C(B(O)O)C=C1 W19080 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.56 COC1=C(Br)C=CC([C@H](C)N)=C1 Y13407 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.56 COC1=C(C)C=CC(C(C)=O)=C1 CL9533 [0,2,0,0,0,0|0,0,2]=4 967 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 N11045 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y10259 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y10260 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 Y11658 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.56 C[C@H](N)C1=CC(C#N)=C(F)C=C1 Y12207 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.56 C[C@H](N)C1=CC(C#N)=C(F)C=C1 Y12959 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.56 C[C@H](N)C1=CC(C#N)=C(F)C=C1 Y13376 [0,2,0,0,0,0|2,0,0]=4 974 B12R1.232 CC(=O)C1=CC(Br)=C(C)C=C1N 56175 [0,2,0,0,0,0|0,0,2]=4 975 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(O)=C1 W19041 [0,2,0,0,0,0|1,0,1]=4 976 B12R1.232 CC1=C(F)C=C(C(=O)O)C(N)=C1 D78272 [0,2,0,0,0,0|1,0,1]=4 977 B12R1.232 CC1=CC(=O)C(C(C)C)=CC1=O T72517 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.232 CC1=CC(C)=C(Br)C=C1C(=O)O N12774 [0,2,0,0,0,0|1,0,1]=4 979 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1O 85911 [0,2,0,0,0,0|1,0,1]=4 980 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12560 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y12561 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13008 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13260 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13283 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.367 CC1=C(Br)C=CC([C@@H](N)CO)=C1 Y13357 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.367 CCC(=O)C1=CC(F)=C(C)C=C1 N14054 [0,2,0,0,0,0|0,0,2]=4 987 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13259 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.367 CC[C@H](N)C1=CC(C)=C(Br)C=C1 Y13282 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N11061 [0,2,0,0,0,0|1,0,0]=3 990 B12R1.367 CC[C@H](N)C1=CC(F)=C(C)C=C1 N12884 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11975 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y11976 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.367 CC[C@H](N)C1=CC(F)=C(Cl)C=C1 Y12956 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10297 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y10298 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11774 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y11775 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.367 CC[C@H](N)C1=CC(F)=C(F)C=C1 Y13035 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.367 CN[C@@H](C)C1=CC(C)=C(Br)C=C1 Y12534 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.367 CN[C@@H](C)C1=CC(C)=C(Br)C=C1 Y12535 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.367 CN[C@@H](C)C1=CC(C)=C(Br)C=C1 Y13177 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.367 NC[C@H](O)C1=CC(Cl)=C(Cl)C=C1 AR2885 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.367 NC[C@H](O)C1=CC(F)=C(F)C=C1 C77696 [0,2,0,0,0,0|1,0,0]=3 1004 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12589 [0,2,0,0,0,0|1,0,0]=3 1005 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y11512 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.367 N[C@@H](CO)C1=CC(Br)=C(Cl)C=C1 Y12734 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 I10854 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 N11443 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y10365 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y10735 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(Cl)C=C1 Y11112 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(F)C=C1 F16945 [0,2,0,0,0,0|2,0,0]=4 1013 B12R1.367 N[C@@H](CO)C1=CC(Cl)=C(F)C=C1 N11098 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 N11284 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12071 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12072 [0,2,0,0,0,0|2,0,0]=4 1017 B12R1.367 N[C@@H](CO)C1=CC(F)=C(Cl)C=C1 Y12454 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y10327 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.367 N[C@@H](CO)C1=CC(F)=C(F)C=C1 Y11190 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.367 OC[C@H](Cl)C1=CC(Cl)=C(Cl)C=C1 58258 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.367 OC[C@H](O)C1=CC(F)=C(Cl)C=C1 89816 [0,2,0,0,0,0|1,0,0]=3 1022 B12R1.367 O[C@@H](CCl)C1=CC(Cl)=C(Cl)C=C1 58260 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.893 CC1=C(C)C(C)=C(C(=O)O)C=C1 F11631 [0,2,0,0,0,0|1,0,1]=4 1024 B12R1.893 CC1=C(C)C(I)=C(C(=O)O)C=C1 87931 [0,2,0,0,0,0|1,0,1]=4 1025 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 D95028 [0,2,0,0,0,0|1,0,1]=4 1026 B12R1.893 CC1=C(N)C(C)=C(C(=O)O)C=C1 93860 [0,2,0,0,0,0|1,0,1]=4 1027 B12R1.893 CC1=CC=C(B(O)O)C(F)=C1F N12338 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.893 CC1=CC=C(C(=O)O)C(Cl)=C1Cl D86550 [0,2,0,0,0,0|1,0,1]=4 1029 B12R1.893 CC1=CC=C(C(=O)O)C(F)=C1I 55471 [0,2,0,0,0,0|1,0,1]=4 1030 B12R1.893 CC1=CC=C(C(=O)O)C(N)=C1Br 54754 [0,2,0,0,0,0|1,0,1]=4 1031 B12R1.893 C[C@H](N)C1=CC=C(F)C(F)=C1F N11315 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1N 34936 [0,2,0,0,0,0|1,0,1]=4 1033 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1C D94858 [0,2,0,0,0,0|1,0,1]=4 1034 B12R1.12 N#C[C@@H](CO)C1=CC=C(Br)C=C1 86253 [0,2,0,0,0,0|1,0,1]=4 1035 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74243 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74244 [0,2,0,0,0,0|2,0,0]=4 1037 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 74245 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11603 [0,2,0,0,0,0|2,0,0]=4 1039 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 I11639 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.16 C=CC[C@H](N)C1=CC=C(F)C=C1 N10600 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 D77805 [0,2,0,0,0,0|0,0,2]=4 1042 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 66824 [0,2,0,0,0,0|1,0,0]=3 1043 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 N13972 [0,2,0,0,0,0|0,0,2]=4 1044 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y11987 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.16 CCC[C@H](N)C1=CC=C(C)C=C1 Y14024 [0,2,0,0,0,0|1,0,0]=3 1046 B12R1.16 CCC[C@H](N)C1=CC=C(F)C=C1 Y10286 [0,2,0,0,0,0|2,0,0]=4 1047 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 42875 [0,2,0,0,0,0|1,0,0]=3 1048 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 D81217 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.16 N#CC[C@H](N)C1=CC=C(Br)C=C1 Y14253 [0,2,0,0,0,0|2,0,0]=4 1050 B12R1.16 N#CC[C@H](N)C1=CC=C(Cl)C=C1 Y14262 [0,2,0,0,0,0|2,0,0]=4 1051 B12R1.16 N#CC[C@H](N)C1=CC=C(F)C=C1 Y14259 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.16 NC1=CC=C([C@@H](N)CCO)C=C1 11356 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55910 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58176 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 58178 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 61118 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.16 O[C@@H](CCCl)C1=CC=C(F)C=C1 Y10754 [0,2,0,0,0,0|1,0,0]=3 1058 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y12565 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y12566 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y13423 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(Br)=C1 Y13424 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(F)=C1 Y11554 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.1703 CC1=C([C@@H](N)CO)C=CC(F)=C1 Y12453 [0,2,0,0,0,0|2,0,0]=4 1064 B12R1.1703 CC1=CC(C)=C(C(=O)CBr)C=C1 D87870 [0,2,0,0,0,0|0,0,2]=4 1065 B12R1.1703 CC1=CC(C)=C([C@@H](N)CO)C=C1 N11078 [0,2,0,0,0,0|1,0,0]=3 1066 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12304 [0,2,0,0,0,0|1,0,0]=3 1067 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12305 [0,2,0,0,0,0|1,0,0]=3 1068 B12R1.1703 CC1=CC(Cl)=C([C@@H](N)CO)C=C1 Y12992 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y10891 [0,2,0,0,0,0|1,0,0]=3 1070 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 Y11488 [0,2,0,0,0,0|1,0,0]=3 1071 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 N11313 [0,2,0,0,0,0|2,0,0]=4 1072 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 Y11983 [0,2,0,0,0,0|2,0,0]=4 1073 B12R1.1703 CC[C@H](N)C1=C(C)C=C(F)C=C1 Y11984 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 F21058 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 Y10296 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.1703 CC[C@H](N)C1=C(F)C=C(F)C=C1 Y11754 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.1703 COC(=O)C1=C(Cl)C=C(C)C=C1 C90285 [0,2,0,0,0,0|0,0,2]=4 1078 B12R1.1703 COC(=O)C1=C(I)C=C(C)C=C1 C90901 [0,2,0,0,0,0|0,0,2]=4 1079 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Br)C=C1 Y12563 [0,2,0,0,0,0|2,0,0]=4 1080 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Br)C=C1 Y12564 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Br)C=C1 Y12968 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 F16990 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 W19249 [0,2,0,0,0,0|2,0,0]=4 1084 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(Cl)C=C1 Y11110 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(F)C=C1 Y12156 [0,2,0,0,0,0|2,0,0]=4 1086 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(F)C=C1 Y12157 [0,2,0,0,0,0|2,0,0]=4 1087 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(O)C=C1 Y12208 [0,2,0,0,0,0|2,0,0]=4 1088 B12R1.1703 N[C@@H](CO)C1=C(Cl)C=C(O)C=C1 Y12209 [0,2,0,0,0,0|2,0,0]=4 1089 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 N11181 [0,2,0,0,0,0|2,0,0]=4 1090 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 Y11436 [0,2,0,0,0,0|2,0,0]=4 1091 B12R1.1703 N[C@@H](CO)C1=C(F)C=C(F)C=C1 Y11600 [0,2,0,0,0,0|2,0,0]=4 1092 B12R1.1703 O[C@@H](CCl)C1=C(Cl)C=C(Cl)C=C1 12102 [0,2,0,0,0,0|1,0,0]=3 1093 B12R1.1703 O[C@@H](CCl)C1=C(Cl)C=C(Cl)C=C1 A11909 [0,2,0,0,0,0|1,0,0]=3 1094 B12R1.57 CC1=CC(C#N)=C(B(O)O)C=C1 C72318 [0,2,0,0,0,0|2,0,0]=4 1095 B12R1.57 COC1=C(C(C)C)C=CC(Br)=C1 D81047 [0,2,0,0,0,0|2,0,0]=4 1096 B12R1.57 COC1=C([C@H](C)N)C=CC(F)=C1 Y11779 [0,2,0,0,0,0|2,0,0]=4 1097 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 N13076 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y11272 [0,2,0,0,0,0|1,0,0]=3 1099 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y11273 [0,2,0,0,0,0|1,0,0]=3 1100 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y11755 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.1000 CC1=CC(C)=C([C@H](C)N)C(C)=C1 Y13404 [0,2,0,0,0,0|1,0,0]=3 1102 B12R1.1000 CC1=CC(Cl)=C(B(O)O)C(Cl)=C1 D71449 [0,2,0,0,0,0|2,0,0]=4 1103 B12R1.1000 CC1=CC(F)=C(C(=O)O)C(F)=C1 22738 [0,2,0,0,0,0|1,0,1]=4 1104 B12R1.1000 C[C@H](N)C1=C(F)C=C(Br)C=C1F Y11888 [0,2,0,0,0,0|2,0,0]=4 1105 B12R1.1000 C[C@H](N)C1=C(F)C=C(Br)C=C1F Y11894 [0,2,0,0,0,0|2,0,0]=4 1106 B12R1.1000 C[C@H](N)C1=C(F)C=C(Br)C=C1F Y12962 [0,2,0,0,0,0|2,0,0]=4 1107 B10R2.31 NC1=CC2=C(C=C1)CC2 67858 [1,0,0,1,0,0|1,0,0]=3 1108 B10R2.31 NC1=CC2=C(C=C1)CC2 D83029 [1,0,0,1,0,0|1,0,0]=3 1109 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [1,0,0,1,0,0|0,0,2]=4 1110 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 F31086 [0,0,0,1,0,1|2,0,0]=4 1111 B12R2.79 NC1CC1C2=CC=C(F)C=C2 F31089 [0,0,0,1,0,1|2,0,0]=4 1112 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31004 [0,0,0,1,0,1|2,0,0]=4 1113 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 F31006 [0,0,0,1,0,1|2,0,0]=4 1114 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 F21500 [0,0,0,1,0,1|1,0,1]=4 1115 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 52985 [0,0,0,1,0,1|1,0,1]=4 1116 B12R2.606 CC1=CC2=C(C=C1)N=C(S)O2 T72123 [0,0,0,1,0,1|1,0,1]=4 1117 B12R2.606 CC1=CC2=C(C=C1)N[C@@H](C)C2 D78738 [0,0,0,1,0,1|1,0,0]=3 1118 B12R2.606 C[C@H]1CC2=C(C=CC(Br)=C2)O1 72190 [0,0,0,1,0,1|2,0,0]=4 1119 B12R2.606 C[C@H]1CC2=C(C=CC(F)=C2)N1 C76645 [0,0,0,1,0,1|2,0,0]=4 1120 B12R2.606 N[C@H]1CC2=C(C=C(Br)C=C2)C1 AT10840 [0,0,0,1,0,1|2,0,0]=4 1121 B12R2.9 N#CC1=CC=C(C2CC2)C=C1 51708 [0,1,0,1,0,0|1,0,1]=4 1122 B12R2.9 NCC1=CC=C(C2CC2)C=C1 70989 [0,1,0,1,0,0|1,0,0]=3 1123 B12R2.9 OCC1=CC=C(C2CC2)C=C1 51967 [0,1,0,1,0,0|1,0,0]=3 1124 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 67661 [0,1,0,1,0,0|1,0,1]=4 1125 B12R2.1384 OB(O)C1=CC2=C(C=C1)CC2 67942 [0,1,0,1,0,0|2,0,0]=4 1126 B12R2.290 CC1(C2=CC=C(Br)C=C2)CC1 D85572 [0,1,0,1,0,0|2,0,0]=4 1127 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 28804 [0,1,0,1,0,0|1,0,0]=3 1128 B12R2.290 NC1(C2=CC=C(Cl)C=C2)CC1 29864 [0,1,0,1,0,0|2,0,0]=4 1129 B12R2.290 NC1(C2=CC=C(F)C=C2)CC1 E10027 [0,1,0,1,0,0|2,0,0]=4 1130 B12R2.291 ClC1=C(Cl)C=C([C@@H]2CO2)C=C1 60326 [0,1,0,1,0,0|1,0,0]=3 1131 B12R2.291 FC1=C(F)C=C(C2CC2)C=C1 W15099 [0,1,0,1,0,0|2,0,0]=4 1132 B12R2.291 FC1=C(F)C=C([C@@H]2CO2)C=C1 AC1386 [0,1,0,1,0,0|1,0,0]=3 1133 B12R2.291 FC1=C(F)C=C([C@@H]2CO2)C=C1 D72085 [0,1,0,1,0,0|1,0,0]=3 1134 B12R2.291 FC1=C(I)C=CC(C2CC2)=C1 96635 [0,1,0,1,0,0|2,0,0]=4 1135 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 78098 [0,1,0,1,0,0|0,0,2]=4 1136 B12R2.612 CC1=CC2=C(C=C1)C(O)=NO2 O11611 [0,1,0,1,0,0|1,0,1]=4 1137 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,1,0,1,0,0|1,0,0]=3 1138 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,1,0,1,0,0|1,0,0]=3 1139 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,1,0,1,0,0|0,0,0]=2 1140 B12R2.612 CC1=NC=C2C(=C1)CC[C@@H]2N 66134 [0,1,0,1,0,0|2,0,0]=4 1141 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67300 [0,1,0,1,0,0|2,0,0]=4 1142 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 67303 [0,1,0,1,0,0|2,0,0]=4 1143 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 N11203 [0,1,0,1,0,0|2,0,0]=4 1144 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 O10181 [0,1,0,1,0,0|2,0,0]=4 1145 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 Y10109 [0,1,0,1,0,0|2,0,0]=4 1146 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 N12837 [0,1,0,1,0,0|2,0,0]=4 1147 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10880 [0,1,0,1,0,0|2,0,0]=4 1148 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10881 [0,1,0,1,0,0|2,0,0]=4 1149 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10918 [0,1,0,1,0,0|2,0,0]=4 1150 B12R2.612 N[C@H]1CCC2=C1C=CC(Cl)=C2 Y10919 [0,1,0,1,0,0|2,0,0]=4 1151 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11253 [0,1,0,1,0,0|2,0,0]=4 1152 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 Y11814 [0,1,0,1,0,0|2,0,0]=4 1153 B12R2.612 N[C@H]1CCC2=C1C=CC(O)=C2 Y11929 [0,1,0,1,0,0|2,0,0]=4 1154 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 67309 [0,1,0,1,0,0|2,0,0]=4 1155 B12R2.612 N[C@H]1COC2=C1C=CC(Br)=C2 Y10223 [0,1,0,1,0,0|2,0,0]=4 1156 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11153 [0,1,0,1,0,0|2,0,0]=4 1157 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 N11262 [0,1,0,1,0,0|2,0,0]=4 1158 B12R2.612 N[C@H]1COC2=C1C=CC(F)=C2 Y14816 [0,1,0,1,0,0|2,0,0]=4 1159 B12R2.612 OB1OCC2=C1C=CC(O)=C2 P15896 [0,1,0,1,0,0|2,0,0]=4 1160 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67299 [0,1,0,1,0,0|1,0,0]=3 1161 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 67301 [0,1,0,1,0,0|1,0,0]=3 1162 B12R2.612 O[C@H]1CCC2=CC(Br)=CN=C21 81985 [0,1,0,1,0,0|2,0,0]=4 1163 B12R2.612 O[C@H]1COC2=C1C=CC(Br)=C2 67308 [0,1,0,1,0,0|1,0,0]=3 1164 B12R2.2302 BrC1=CC=C(C2CCC2)C=C1 F52110 [0,1,0,1,0,0|2,0,0]=4 1165 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 85616 [0,1,0,1,0,0|2,0,0]=4 1166 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 84084 [0,1,0,1,0,0|2,0,0]=4 1167 B12R2.2302 NC1=CC=C(C2COC2)C=C1 85368 [0,1,0,1,0,0|1,0,0]=3 1168 B12R2.1317 CC1=C(C2CC2)C=CC(N)=C1 33444 [0,1,0,1,0,0|2,0,0]=4 1169 B8R1.1 CC1=CC=C(CN)S1 71266 [1,0,0,0,1,0|2,0,0]=4 1170 B8R1.1 CC1=CC=C(CO)S1 W10513 [1,0,0,0,1,0|1,0,0]=3 1171 B8R1.1 CC1=CN=C(CO)N1 P16461 [1,0,0,0,1,0|2,0,0]=4 1172 B8R1.1 CC1=CN=C(CO)S1 C73831 [1,0,0,0,1,0|2,0,0]=4 1173 B8R1.1 CC1=CSC(CO)=N1 78422 [1,0,0,0,1,0|2,0,0]=4 1174 B8R1.1 CC1=NC(CO)=CN1 22905 [1,0,0,0,1,0|2,0,0]=4 1175 B8R1.1 CC1=NNC(CO)=C1 71135 [1,0,0,0,1,0|2,0,0]=4 1176 B8R1.1 CCC1=CC=C(C)O1 A12137 [1,0,0,0,1,0|1,0,0]=3 1177 B8R1.1 OCC1=CSC(Cl)=C1 37630 [1,0,0,0,1,0|2,0,0]=4 1178 B8R1.7 CC(C)C1=CC=CO1 81450 [1,0,0,0,1,0|2,0,0]=4 1179 B8R1.7 C[C@H](N)C1=CC=CO1 Y10899 [1,0,0,0,1,0|2,0,0]=4 1180 B8R1.7 C[C@H](N)C1=CC=CO1 Y12106 [1,0,0,0,1,0|2,0,0]=4 1181 B8R1.7 C[C@H](N)C1=CC=CS1 82880 [1,0,0,0,1,0|2,0,0]=4 1182 B8R1.7 C[C@H](N)C1=CC=CS1 D81260 [1,0,0,0,1,0|2,0,0]=4 1183 B8R1.7 C[C@H](N)C1=CC=CS1 N11134 [1,0,0,0,1,0|2,0,0]=4 1184 B8R1.7 C[C@H](N)C1=CC=CS1 N12970 [1,0,0,0,1,0|2,0,0]=4 1185 B8R1.7 C[C@H](N)C1=CC=CS1 Y10683 [1,0,0,0,1,0|2,0,0]=4 1186 B8R1.7 C[C@H](N)C1=CSC=C1 27894 [1,0,0,0,1,0|2,0,0]=4 1187 B8R1.7 C[C@H](N)C1=CSC=C1 Y14612 [1,0,0,0,1,0|2,0,0]=4 1188 B8R1.7 C[C@H](O)C1=CN=CS1 AT14805 [1,0,0,0,1,0|2,0,0]=4 1189 B8R1.7 C[C@H](O)C1=CNC=N1 71746 [1,0,0,0,1,0|2,0,0]=4 1190 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [1,0,0,0,1,0|1,0,0]=3 1191 B8R1.7 C[C@H](O)C1=NNC=C1 AT15828 [1,0,0,0,1,0|2,0,0]=4 1192 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,0,1|0,0,2]=4 1193 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,0,0,0,0,1|2,0,0]=4 1194 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [1,0,0,0,0,1|2,0,0]=4 1195 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [0,0,0,0,0,2|2,0,0]=4 1196 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [0,0,0,0,0,2|1,0,0]=3