0 B9R1.6 C=C(C)C1=NC=CC=C1 W17791 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.6 CC(=O)C1=NN=CC=C1 37064 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 C[S@](=O)C1=NC=CC=C1 C74099 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 N=C(N)C1=NC=CC=C1 71518 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.6 N=C(N)C1=NC=CC=N1 D74674 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.6 NC(=O)C1=CN=CN=C1 F13864 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.6 NC(=O)C1=CN=NC=C1 F14288 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.6 NC(=O)C1=NC=NC=C1 C74468 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.6 NC(=O)C1=NN=CC=C1 F30255 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.6 O=C(Cl)C1=NN=CC=C1 D93513 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 O=C(O)C1=CCNCC1 30668 [0,0,0,0,0,0|1,0,3]=4 26 B9R1.6 O=C([O-])C1=NC=CC=N1 65419 [0,0,0,0,0,0|2,0,1]=3 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|2,0,1]=3 29 B9R1.6 OB(O)C1=NC=NC=C1 29744 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.2 N#CC1=NC=CC=C1 D77869 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.2 NCC1=CC=CC=C1 RB3068 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.2 NCC1=CC=NC=C1 35876 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.2 NNC1=CC=CN=C1 S12141 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 O=CC1=NC=NC=C1 26359 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 OCC1=CN=NC=C1 37054 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 SCC1=CC=NC=C1 F18336 [1,0,0,0,0,0|1,1,1]=4 37 B8R1.2 SCC1=CN=CC=C1 F18343 [1,0,0,0,0,0|1,1,1]=4 38 B8R1.2 SCC1=NC=CC=C1 Y10072 [1,0,0,0,0,0|1,1,1]=4 39 B8R1.2 [C-]#[N+]C1=CC=CC=C1 AB1473 [1,0,0,0,0,0|2,0,0]=3 40 B10R1.13 C=C(C)C1=CC=C(I)C=C1 AC1339 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 AC7918 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.13 CC(=O)C1=CN=C(O)N=C1 F13147 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 38376 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.13 CC(=O)C1=NC=C(C)C=N1 79366 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 CC(=O)C1=NC=C(C)N=C1 56571 [0,1,0,0,0,0|3,0,0]=4 46 B10R1.13 CC(=O)C1=NC=C(N)C=C1 D94999 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.13 CC(=O)C1=NC=C(O)C=C1 53717 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.13 CC(=O)C1=NC=C(O)N=C1 C71512 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.13 CC(=O)C1=NN=C(Cl)C=C1 P10979 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.13 CC(C)C1=CC=C(O)C=C1 D72532 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 20068 [0,1,0,0,0,0|2,0,1]=4 52 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 Y14023 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 W19044 [0,1,0,0,0,0|1,0,1]=3 54 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 97006 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 A11173 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 T73083 [0,1,0,0,0,0|2,0,0]=3 57 B10R1.13 CC1=CCC(C(=O)O)=CC1 A12608 [0,1,0,0,0,0|0,0,2]=3 58 B10R1.13 CC1=CN=C(C(=O)O)N=C1 RB3298 [0,1,0,0,0,0|2,0,0]=3 59 B10R1.13 CC1=CN=C([C@H](C)O)C=C1 AB7629 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.13 CN(N)C1=CC=C(Br)C=C1 E10129 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.13 C[C@H](Cl)C1=CC=C(F)C=C1 AC6174 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 C16655 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10310 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.13 C[C@H](N)C1=CC=C(I)C=C1 Y10311 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20069 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 20071 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 O11060 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11752 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 Y11753 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10879 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y14795 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1272 [0,1,0,0,0,0|1,0,1]=3 73 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 SC1278 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 25877 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.13 C[C@H](O)C1=CN=C(Br)C=C1 AT11876 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 C[C@H](O)C1=NC=C(Br)C=C1 Y13723 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 FC(F)C1=CC=C(I)C=C1 C71790 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 W16706 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.13 N=C(N)C1=CC=C(N)C=C1 56135 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 37719 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.13 N=C(N)C1=NC=C(F)C=C1 38084 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.13 NC(=O)C1=CN=C(O)C=C1 C74893 [0,1,0,0,0,0|2,0,0]=3 83 B10R1.13 NC(=O)C1=CN=C(O)N=C1 F13438 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.13 NC(=O)C1=NC=C(N)C=C1 25630 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.13 NC(=O)C1=NC=C(N)C=N1 30495 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.13 NC(=O)C1=NC=C(N)N=C1 W17933 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 A11465 [0,1,0,0,0,0|0,0,1]=2 88 B10R1.13 NC1=CN=C(C(=O)O)N=C1 P10377 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.13 NC1=CN=C([N+](=O)[O-])C=C1 26771 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.13 O=C(O)C1=CN=C(Br)N=C1 F11671 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.13 O=C(O)C1=CN=C(F)C=N1 70428 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.13 O=C(O)C1=NC=C(F)C=N1 38641 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.13 O=C(O)C1=NC=C(I)C=C1 O11456 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.13 O=C(O)C1=NN=C(Br)C=C1 P10335 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 O=C(O)C1=NN=C(O)C=C1 C73877 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.13 O=C1N=CC(C(=O)O)=CN1 P13001 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 O=[N+]([O-])C1=CN=C(I)C=C1 T72219 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.13 OB(O)C1=NC=C(Br)C=C1 57235 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.13 OB(O)C1=NC=C(F)C=C1 F16224 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.15 C=C(CBr)C1=CC=CC=C1 35089 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.15 C=CC(=O)C1=CC=CC=C1 77875 [0,1,0,0,0,0|1,0,0]=2 105 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.15 CCC(=O)C1=NC=CN=C1 P11366 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.15 COC(=O)C1=CN=NC=C1 23653 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.15 N=C(NN)C1=NC=CC=C1 I10248 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.15 NNC(=O)C1=CN=CN=C1 F18165 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,1,0,0,0,0|1,1,0]=3 122 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 32217 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11463 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12121 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y13389 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 F13354 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12482 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 D85222 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y13398 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.15 O=C(CBr)C1=CN=CC=C1 D82267 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.15 O=C(CBr)C1=NC=CC=N1 P17109 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.15 O=C(CBr)C1=NC=CN=C1 FD7249 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.15 O=C(CO)C1=NC=CC=C1 AC7454 [0,1,0,0,0,0|1,0,0]=2 134 B10R1.15 O=C(NO)C1=CN=CC=C1 F17466 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,1,0,0,0,0|1,0,1]=3 136 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,1,0,0,0,0|1,0,1]=3 137 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 O12024 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.28 CC(C)(O)C1=CN=CC=C1 50806 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.28 CC(C)(O)C1=NC=CC=C1 W17538 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 C15067 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77743 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 D77813 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.28 C[S@](=N)(=O)C1=CC=CC=C1 W16234 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.28 O=S(=O)(Cl)C1=NC=CC=C1 F14522 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 12268 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.28 O[B-](O)(O)C1=NC=CC=C1 CS1806 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.61 C=C(C)C1=C(Br)C=CC=C1 W17018 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 CC(=O)C1=C(Br)C=CC=N1 80328 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.61 CC(=O)C1=C(Br)C=NC=N1 26989 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.61 CC(=O)C1=C(C)N=CC=C1 C73307 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.61 CC(=O)C1=C(C)N=CN=C1 O10297 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.61 CC(=O)C1=C(Cl)C=CC=N1 27067 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y14823 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.61 CC(=O)C1=C(Cl)C=NC=C1 N12959 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.61 CC(=O)C1=C(N)N=CN=C1 D80245 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.61 CC(=O)C1=C(O)C=NC=C1 27646 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.61 CC(=O)C1=C(O)N=CC=C1 93481 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.61 CC(=O)C1=CC=CN=C1F F31395 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.61 CC(=O)C1=CNC=CC1=O C74936 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.61 CC(=O)C1=NC=CC=C1N 80156 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.61 CC(=O)C1=NC=CC=C1O 80210 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.61 CC(C)C1=C(S)C=CC=C1 29274 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.61 CC1=C(C(=N)N)C=CC=C1 28690 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.61 CC1=C(C(=O)O)C=CN=N1 P11312 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.61 CC1=C(C(=O)O)C=NC=C1 83402 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.61 CC1=C(C(N)=O)C=CN=C1 C74299 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.61 CC1=C(C(N)=O)C=NC=C1 A10183 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52748 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 52749 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 N10464 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 Y10511 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.61 CC1=C([N+](=O)[O-])C=NC=C1 C76767 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.61 CC1=CC=CN=C1B(O)O C16742 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.61 CC1=CC=CN=C1C(=N)N I11838 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.61 CC1=CC=CN=C1[C@H](C)O 21080 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.61 CC1=CC=NN=C1C(=O)O P10780 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.61 CC1=CN=CN=C1C(=O)O F52630 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21516 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 21517 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.61 C[C@H](N)C1=C(Br)C=CC=C1 Y10364 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 20095 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1344 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.61 C[C@H](N)C1=C(Cl)C=CC=C1 SC1353 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52754 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 52755 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 I10701 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y10447 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.61 C[C@H](N)C1=C(F)C=CC=C1 Y11656 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.61 C[C@H](N)C1=C(N)C=CC=C1 C78195 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.61 C[C@H](O)C1=C(Br)C=CC=C1 SC1257 [0,1,0,0,0,0|1,0,1]=3 191 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1230 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=C1 SC1233 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.61 C[C@H](O)C1=C(Cl)C=CC=N1 P19330 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.61 C[C@H](O)C1=C(F)C=CC=N1 F13157 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.61 C[C@H](O)C1=C(O)C=CC=C1 W16007 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.61 C[C@H](O)C1=CC=CN=C1F F15555 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.61 N=C(N)C1=C(Cl)C=CC=C1 71514 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.61 N=C(N)C1=C(F)C=CC=N1 90259 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.61 NC(=O)C1=C(O)C=NC=C1 CL0151 [0,1,0,0,0,0|2,0,0]=3 200 B10R1.61 NC(=O)C1=C(O)N=CN=C1 Y11131 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 NC(=O)C1=CC=NNC1=O AC1803 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 NC(=O)C1=NC=CN=C1Br Y10494 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 NC(=O)C1=NC=CN=C1N 81968 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 NC1=C(B(O)O)C=CC=N1 RB2059 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.61 NC1=C(C(F)F)C=CC=C1 72620 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.61 NC1=CN=CN=C1C(=O)O 20214 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 84369 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 P10759 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 O=C(O)C1=C(F)C=CN=C1 W18401 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.61 O=C(O)C1=CC=NN=C1Cl P11658 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 O=C(O)C1=NC=CN=C1Br 84139 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 O=C(O)C1=NC=CN=C1I 26634 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 O=C1NC=CC=C1B(O)O CS1662 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.61 O=[N+]([O-])C1=C(F)C=CN=C1 I10226 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.61 O=[N+]([O-])C1=C(F)C=NC=C1 84153 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.61 O=[N+]([O-])C1=C(I)C=NC=C1 29629 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.61 O=[N+]([O-])C1=C(O)C=NC=C1 27136 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 FD10058 [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|3,0,0]=4 220 B10R1.113 C=C(C)C1=CC(C)=CC=C1 AC1343 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.113 C=C(C)C1=CC=CC(Cl)=C1 AC1313 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 A10170 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 W17608 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.113 CC(=O)C1=CC(C)=NC=C1 27585 [0,1,0,0,0,0|2,0,0]=3 225 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 78890 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.113 CC(=O)C1=CC(F)=CN=C1 N13069 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.113 CC(=O)C1=CC(F)=NC=C1 52239 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.113 CC(=O)C1=CC(N)=NC=C1 82952 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.113 CC(=O)C1=CC=CC(Cl)=C1 D77821 [0,1,0,0,0,0|1,0,0]=2 230 B10R1.113 CC(=O)C1=CC=CC(F)=N1 F30144 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.113 CC(=O)C1=CN=CC(Cl)=N1 Y14516 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 31268 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.113 CC(=O)C1=NC(C)=NC=C1 D70257 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.113 CC(=O)C1=NC(N)=NC=C1 75052 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 RB1136 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.113 CC(=O)C1=NC=CC(N)=C1 C72011 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.113 CC1=CC(C(=N)N)=NC=C1 W12205 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.113 CC1=CC(C(=O)O)=NN=C1 P15424 [0,1,0,0,0,0|2,0,0]=3 239 B10R1.113 CC1=CC([C@H](C)O)=NC=C1 AB7628 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.113 CC1=CC=CC(C(=N)N)=N1 W12204 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.113 CC1=CC=CC(C(N)=O)=N1 AB10051 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 79174 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 I11812 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10001 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y10156 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 Y11645 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11160 [0,1,0,0,0,0|1,0,1]=3 248 B10R1.113 CC1=CC=CC([C@H](C)O)=C1 W11161 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.113 CC1=CC=CC([C@H](C)O)=N1 AB7630 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.113 CC1=CC=CC([N+](=O)[O-])=N1 W17269 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.113 CC1=CC=NC(C(=O)O)=N1 26974 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.113 CC1=NC=CC(C(N)=O)=C1 F11696 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 20368 [0,1,0,0,0,0|2,0,1]=4 254 B10R1.113 C[C@H](N)C1=CC=CC(Br)=C1 Y10443 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 80051 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y10165 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.113 C[C@H](N)C1=CC=CC(Cl)=C1 Y11266 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 35666 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 I10702 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 SC1338 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y10157 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.113 C[C@H](N)C1=CC=CC(F)=C1 Y14762 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70881 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y13415 [0,1,0,0,0,0|2,0,1]=4 265 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N12887 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 N13189 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10220 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 Y10873 [0,1,0,0,0,0|2,0,1]=4 269 B10R1.113 C[C@H](O)C1=CC=CC(Br)=C1 SC1266 [0,1,0,0,0,0|1,0,1]=3 270 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1260 [0,1,0,0,0,0|1,0,1]=3 271 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 SC1269 [0,1,0,0,0,0|1,0,1]=3 272 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1248 [0,1,0,0,0,0|1,0,1]=3 273 B10R1.113 C[C@H](O)C1=NC=CC(Br)=C1 AC1228 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 41976 [0,1,0,0,0,0|1,0,1]=3 275 B10R1.113 FC(F)C1=CC=CC(I)=C1 72424 [0,1,0,0,0,0|2,0,1]=4 276 B10R1.113 NC(=O)C1=CC(O)=CC=C1 C75901 [0,1,0,0,0,0|1,0,0]=2 277 B10R1.113 NC(=O)C1=CC=CC(Cl)=N1 78773 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.113 NC(=O)C1=CC=NC(Cl)=N1 24231 [0,1,0,0,0,0|3,0,0]=4 279 B10R1.113 NC(=O)C1=CN=CC(O)=C1 W18378 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.113 NC(=O)C1=NC(N)=NC=C1 C73521 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.113 NC(=O)C1=NC(O)=CC=C1 C77024 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.113 NC(=O)C1=NC=CC(N)=C1 S11442 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 NC(=O)C1=NC=NC(O)=C1 F17317 [0,1,0,0,0,0|3,0,0]=4 284 B10R1.113 NC(=S)C1=CN=CC(F)=C1 W11938 [0,1,0,0,0,0|2,1,0]=4 285 B10R1.113 NC1=CC(B(O)O)=CN=C1 69521 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.113 NC1=CC(C(=O)O)=CN=N1 P17402 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.113 NC1=CC(C(=O)O)=NC=N1 26498 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.113 NC1=CC([N+](=O)[O-])=NC=C1 CS1209 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.113 NC1=CN=CC(C(=O)O)=N1 26349 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.113 NC1=NC=CC(B(O)O)=C1 32925 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 24953 [0,1,0,0,0,0|2,0,1]=4 292 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 78664 [0,1,0,0,0,0|2,0,0]=3 293 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=N1 F18835 [0,1,0,0,0,0|3,0,0]=4 294 B10R1.113 O=C(Cl)C1=CC=CC(Cl)=N1 C76563 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.113 O=C(O)C1=CC(S)=NC=C1 77943 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.113 O=C(O)C1=CC=NC(Br)=N1 W17831 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 F19652 [0,1,0,0,0,0|2,0,0]=3 298 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CL0347 [0,1,0,0,0,0|1,0,0]=2 299 B10R1.113 O=C([O-])C1=NC(O)=CN=C1 P19772 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.113 O=C1C=CC[C@H](C(=O)O)C1 F18279 [0,1,0,0,0,0|0,0,3]=4 301 B10R1.113 O=C1C=CNC(C(=O)O)=C1 N13374 [0,1,0,0,0,0|1,0,0]=2 302 B10R1.113 O=[N+]([O-])C1=CC(F)=NC=C1 78728 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 BL000528 [0,1,0,0,0,0|2,0,1]=4 304 B10R1.113 O=[N+]([O-])C1=CN=CC(O)=C1 26591 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.113 O=[N+]([O-])C1=NC=CC(Br)=C1 C77097 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.113 O=[N+]([O-])C1=NC=CC(F)=C1 C76921 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 H10537 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.113 OB(O)C1=CC(O)=CN=C1 FD10099 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.113 OB(O)C1=CC(O)=NC=C1 F30148 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.113 OB(O)C1=NC=CC(Cl)=C1 S11103 [0,1,0,0,0,0|2,0,1]=4 311 B10R1.113 OC1=CC=CC(C(F)F)=C1 71582 [0,1,0,0,0,0|2,0,1]=4 312 B10R2.320 O=C1CC2=C1C=CC=C2 67963 [0,0,0,1,0,0|1,0,0]=2 313 B8R1.7 CC(=O)C1=CC=NO1 I11392 [0,0,0,0,1,0|3,0,0]=4 314 B8R1.7 CC(=O)C1=CC=NO1 Y10704 [0,0,0,0,1,0|3,0,0]=4 315 B8R1.7 CC(=O)C1=CC=NS1 62850 [0,0,0,0,1,0|3,0,0]=4 316 B8R1.7 CC(=O)C1=CN=CS1 66660 [0,0,0,0,1,0|3,0,0]=4 317 B8R1.7 CC(=O)C1=CNN=C1 50308 [0,0,0,0,1,0|3,0,0]=4 318 B8R1.7 CC(=O)C1=NC=CO1 33464 [0,0,0,0,1,0|3,0,0]=4 319 B8R1.7 CC(=O)C1=NOC=C1 33729 [0,0,0,0,1,0|3,0,0]=4 320 B8R1.7 C[C@H](O)C1=CSC=C1 79116 [0,0,0,0,1,0|2,0,1]=4 321 B8R1.7 N=C(N)C1=CC=CS1 C15965 [0,0,0,0,1,0|3,0,0]=4 322 B8R1.7 NC(=O)C1=CC=NO1 F30843 [0,0,0,0,1,0|3,0,0]=4 323 B8R1.7 NC(=O)C1=CN=CO1 78451 [0,0,0,0,1,0|3,0,0]=4 324 B8R1.7 NC(=O)C1=CN=CS1 D79735 [0,0,0,0,1,0|3,0,0]=4 325 B8R1.7 NC(=O)C1=COC=N1 35847 [0,0,0,0,1,0|3,0,0]=4 326 B8R1.7 NC(=O)C1=NC=CS1 A10602 [0,0,0,0,1,0|3,0,0]=4 327 B8R1.7 NC(=O)C1=NSC=C1 F14137 [0,0,0,0,1,0|3,0,0]=4 328 B8R1.7 O=C(Cl)N1C=CC=N1 72878 [0,0,0,0,1,0|3,0,0]=4 329 B8R1.7 O=C(O)C1=CN=NN1 28556 [0,0,0,0,1,0|3,0,0]=4 330 B8R1.7 O=C(O)C1=CSN=C1 83094 [0,0,0,0,1,0|2,0,0]=3 331 B8R1.7 O=C(O)C1=NNN=C1 O10789 [0,0,0,0,1,0|3,0,0]=4 332 B8R1.7 O=C(O)C1=NOC=N1 AC6968 [0,0,0,0,1,0|3,0,0]=4 333 B8R1.7 O=C(O)C1=NSC=C1 83207 [0,0,0,0,1,0|2,0,0]=3 334 B8R1.7 O=C(O)C1=NSN=C1 F16493 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.7 O=[N+]([O-])C1=CC=CN1 26912 [0,0,0,0,1,0|2,0,1]=4 336 B8R1.7 O=[N+]([O-])C1=CNC=C1 29669 [0,0,0,0,1,0|2,0,1]=4 337 B10R1.18 BrC(Br)=CC1=CC=CC=C1 31017 [0,0,0,0,0,1|2,0,0]=3 338 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [0,0,0,0,0,1|2,0,0]=3 339 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [0,0,0,0,0,1|1,0,0]=2 340 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [0,0,0,0,0,1|2,0,1]=4 341 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [0,0,0,0,0,1|2,0,0]=3 342 B10R1.18 NC(=O)CC1=NC=CC=N1 26281 [0,0,0,0,0,1|3,0,0]=4 343 B10R1.18 NC(=O)NC1=NC=CN=C1 W17943 [0,0,0,0,0,1|3,0,0]=4 344 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [0,0,0,0,0,1|1,1,0]=3 345 B10R1.18 O=C(O)CC1=CN=CN=C1 24619 [0,0,0,0,0,1|2,0,0]=3 346 B10R1.18 O=C([O-])CC1=CN=NC=C1 P14654 [0,0,0,0,0,1|2,0,1]=4 347 B10R1.18 O=C([O-])CC1=NC=NC=C1 27827 [0,0,0,0,0,1|2,0,1]=4 348 B7R0.4 C\C=C/C=C/C(=O)O D86563 [1,0,1,0,0,0|0,0,1]=3 349 B7R1.3 ClC1=CN=CC=C1 P19758 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.3 NC1=CC=CC=C1 T70935 [2,0,0,0,0,0|1,0,0]=3 351 B7R1.3 NC1=CC=CC=C1 T71037 [2,0,0,0,0,0|1,0,0]=3 352 B7R1.3 O=C1C=CNN=C1 D87946 [2,0,0,0,0,0|2,0,0]=4 353 B9R0.15 C=CCC(CC=C)C(=O)O F19223 [0,1,1,0,0,0|0,0,2]=4 354 B9R1.1 C#CC1=CC=C(I)C=C1 F21257 [1,1,0,0,0,0|1,0,1]=4 355 B9R1.1 C=CC1=CN=C(Cl)C=C1 F13416 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.1 C=CC1=NC=C(Cl)C=C1 P17531 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.1 CNC1=CC=C(O)C=C1 D77985 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.1 C[N+]1=CC=C(C=O)C=C1 D95156 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.1 ClCC1=CC=C(I)C=C1 AB8901 [1,1,0,0,0,0|1,0,1]=4 361 B9R1.1 FCC1=CC=C(Br)C=C1 W10394 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.1 N#CC1=CC=C(S)C=C1 F31167 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.1 NC1=CN=C(C=O)C=C1 D77164 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.1 NC1=CN=C(C=O)C=N1 F31178 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 NCC1=CC=C(O)C=C1 AC1832 [1,1,0,0,0,0|1,0,1]=4 366 B9R1.1 O=CC1=CN=C(O)N=C1 86751 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.1 O=CC1=NC=C(Cl)C=N1 P10946 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.1 O=CC1=NN=C(Br)C=C1 P20764 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.1 O=CC1=NN=C(Cl)C=C1 25514 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.1 O=CC1=NN=C(O)C=C1 C77199 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.1 OCC1=CC=C(S)C=C1 Y11017 [1,1,0,0,0,0|0,0,1]=3 372 B9R1.2 C=CC1=CC(Br)=CN=C1 50995 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.2 C=CC1=CC(Br)=NC=C1 60113 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.2 C=CC1=CC(C)=CC=C1 F16162 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.2 C=CC1=CC(C)=CN=C1 79122 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.2 C=CC1=CC=CC(Br)=N1 27481 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.2 C=CC1=NC(C)=CC=C1 C71408 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.2 C=CC1=NC=CC(Br)=C1 C75345 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.2 C=CC1=NC=CC(Cl)=C1 C77362 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.2 C=CC1=NC=CC(N)=C1 D82535 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.2 CNC1=CC(N)=CC=C1 36494 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.2 CSC1=CC(F)=CC=C1 A12732 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.2 CSC1=CC(O)=CC=C1 W12966 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.2 N#[N+]C1=CC=CC(Br)=C1 98381 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.2 NC1=CC(CO)=CN=C1 20770 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.2 NC1=CC(CO)=NC=C1 AC1095 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.2 NC1=CC=CC(C=O)=C1 CK2096 [1,1,0,0,0,0|0,0,0]=2 389 B9R1.2 NC1=CC=CC(C=O)=N1 D70565 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.2 NC1=CC=CC(CF)=C1 32172 [1,1,0,0,0,0|1,0,1]=4 391 B9R1.2 O=C1C=C(CO)C=CN1 37365 [1,1,0,0,0,0|1,0,1]=4 392 B9R1.2 O=CC1=CC(Br)=NC=N1 D70857 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.2 O=CC1=CC=CC(=O)N1 N12900 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.2 O=CC1=CC=NC(Cl)=N1 P10948 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.2 O=CC1=CN=CC(Cl)=N1 70892 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.2 O=CC1=C[N+]([O-])=CC=C1 O11007 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.2 O=CC1=NC=CC(O)=C1 W18365 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.2 O=CC1=NC=NC(O)=C1 82364 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.2 OCC1=CC(Cl)=CN=C1 26741 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.2 OCC1=NC=CC(I)=C1 W18502 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.2 OCC1=NC=CC(O)=C1 O10524 [1,1,0,0,0,0|1,0,1]=4 402 B9R1.8 BrC#CC1=CC=CC=C1 A51120 [1,1,0,0,0,0|1,0,1]=4 403 B9R1.8 NOCC1=CN=CC=C1 AC6038 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.8 O\N=C/C1=CC=CC=C1 N10040 [1,1,0,0,0,0|0,0,0]=2 406 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.15 C=CC1=C(N)C=CC=C1 25265 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.15 C=CC1=CC=CN=C1Br 83953 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.15 C=CC1=CC=CN=C1C P11579 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.15 CC1=C(C=O)C=CN=C1 AB10090 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.15 CC1=C(CO)C=NC=C1 38669 [1,1,0,0,0,0|1,0,1]=4 412 B9R1.15 CC1=NC=CN=C1C=O 30985 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.15 CCC1=C(F)C=CC=C1 F20938 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.15 NC1=C(C=O)C=NC=N1 66183 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.15 NC1=C(CO)C=CN=C1 F13531 [1,1,0,0,0,0|1,0,1]=4 416 B9R1.15 NC1=C(CO)C=NC=C1 28348 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.15 NC1=CC=CN=C1C=O 80155 [1,1,0,0,0,0|1,0,0]=3 418 B9R1.15 NC1=CC=CN=C1CO H10562 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.15 NC1=NC=CN=C1C=O 27460 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.15 NCC1=C(I)C=CC=C1 C75019 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.15 NNC1=C(I)C=CC=C1 C75827 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.15 O=C1NC=CC=C1CO P16012 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.15 O=CC1=C(Br)C=CN=C1 P16584 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.15 O=CC1=C(Cl)C=CC=C1 D77644 [1,1,0,0,0,0|0,0,0]=2 425 B9R1.15 O=CC1=C(O)C=CN=C1 P10968 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.15 O=CC1=C(O)C=NC=C1 25615 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.15 O=CC1=NC=CN=C1Br P14054 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.15 O=CC1=NC=CN=C1Cl P10456 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.15 OCC1=C(Br)C=CN=C1 71972 [1,1,0,0,0,0|1,0,1]=4 430 B9R1.15 OCC1=C(F)C=CN=C1 P15839 [1,1,0,0,0,0|1,0,1]=4 431 B9R1.15 OCC1=C(O)C=NC=C1 D84251 [1,1,0,0,0,0|1,0,1]=4 432 B9R1.11 CCC(=O)C1=COC=C1 N14291 [0,1,0,0,1,0|2,0,0]=4 433 B9R1.11 COC(=O)C1=CC=NS1 62854 [0,1,0,0,1,0|2,0,0]=4 434 B9R1.11 COC(=O)C1=COC=N1 22956 [0,1,0,0,1,0|2,0,0]=4 435 B9R1.11 COC(=O)C1=NC=CO1 C74629 [0,1,0,0,1,0|2,0,0]=4 436 B9R1.11 N\C(=N/O)C1=CSC=C1 71291 [0,1,0,0,1,0|2,0,0]=4 437 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [0,1,0,0,1,0|2,0,0]=4 438 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [0,1,0,0,1,0|1,0,0]=3 439 B9R1.11 O=CC(=O)C1=CC=CO1 D94856 [0,1,0,0,1,0|1,0,1]=4 440 B9R1.19 O=S(=O)(O)C1=CC=CS1 C76553 [0,1,0,0,1,0|2,0,0]=4 441 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,1,0,0,1,0|2,0,0]=4 442 B9R1.35 CC(=O)C1=CSC(Br)=C1 25953 [0,1,0,0,1,0|2,0,0]=4 443 B9R1.35 CC(=O)C1=CSC(Cl)=C1 37629 [0,1,0,0,1,0|2,0,0]=4 444 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,1,0,0,1,0|1,0,0]=3 445 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,1,0,0,1,0|2,0,0]=4 446 B9R1.35 CC1=CNC(C(=O)O)=N1 C16255 [0,1,0,0,1,0|2,0,0]=4 447 B9R1.35 CC1=CNC(C(=O)O)=N1 Y11423 [0,1,0,0,1,0|2,0,0]=4 448 B9R1.35 CC1=NC=C(C(=O)O)O1 F13461 [0,1,0,0,1,0|2,0,0]=4 449 B9R1.35 CN1C=CC(C(=O)O)=C1 26121 [0,1,0,0,1,0|1,0,0]=3 450 B9R1.35 NC(=O)C1=CC(Br)=CN1 C73743 [0,1,0,0,1,0|2,0,0]=4 451 B9R1.35 NC(=O)C1=CC(Br)=CO1 C77306 [0,1,0,0,1,0|2,0,0]=4 452 B9R1.35 NC(=O)C1=CC=C(Br)N1 38755 [0,1,0,0,1,0|2,0,0]=4 453 B9R1.35 NC(=O)C1=CC=C(N)S1 C90315 [0,1,0,0,1,0|2,0,0]=4 454 B9R1.35 NC1=CNC(C(=O)O)=C1 F14489 [0,1,0,0,1,0|1,0,0]=3 455 B9R1.35 NC1=CNC(C(=O)O)=N1 D94530 [0,1,0,0,1,0|2,0,0]=4 456 B9R1.35 NC1=NC(C(=O)O)=CN1 F14481 [0,1,0,0,1,0|2,0,0]=4 457 B9R1.35 NC1=NC(C(=O)O)=CO1 38367 [0,1,0,0,1,0|2,0,0]=4 458 B9R1.35 O=C(O)C1=CC(Br)=CO1 25418 [0,1,0,0,1,0|1,0,0]=3 459 B9R1.35 O=C(O)C1=CC(Br)=NN1 D80317 [0,1,0,0,1,0|2,0,0]=4 460 B9R1.35 O=C(O)C1=CC(Br)=NO1 69280 [0,1,0,0,1,0|2,0,0]=4 461 B9R1.35 O=C(O)C1=CC(Cl)=CS1 24303 [0,1,0,0,1,0|1,0,0]=3 462 B9R1.35 O=C(O)C1=CC(F)=CS1 C10503 [0,1,0,0,1,0|1,0,0]=3 463 B9R1.35 O=C(O)C1=CC(I)=CN1 86089 [0,1,0,0,1,0|1,0,0]=3 464 B9R1.35 O=C(O)C1=CC=C(F)S1 83084 [0,1,0,0,1,0|1,0,0]=3 465 B9R1.35 O=C(O)C1=CC=C(I)S1 C75812 [0,1,0,0,1,0|1,0,0]=3 466 B9R1.35 O=C(O)C1=CNC(Cl)=C1 72647 [0,1,0,0,1,0|1,0,0]=3 467 B9R1.35 O=C(O)C1=COC(Cl)=N1 Y10043 [0,1,0,0,1,0|2,0,0]=4 468 B9R1.35 O=C(O)C1=COC(I)=N1 D95450 [0,1,0,0,1,0|2,0,0]=4 469 B9R1.35 O=C(O)C1=CSC(Cl)=C1 24618 [0,1,0,0,1,0|1,0,0]=3 470 B9R1.35 O=C(O)C1=NC=C(Br)S1 FD9045 [0,1,0,0,1,0|2,0,0]=4 471 B9R1.35 O=C(O)C1=NC=C(Cl)S1 P10902 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.35 O=C(O)C1=NNC(Cl)=C1 20415 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.35 O=C(O)C1=NNC(O)=C1 C77021 [0,1,0,0,1,0|2,0,0]=4 474 B9R1.35 O=C(O)C1=NOC(Cl)=C1 D80865 [0,1,0,0,1,0|2,0,0]=4 475 B9R1.41 CC(=O)C1=CNC=C1C W17613 [0,1,0,0,1,0|2,0,0]=4 476 B9R1.41 CC1=C(C(=O)O)C=CN1 W10234 [0,1,0,0,1,0|1,0,0]=3 477 B9R1.41 NC(=O)C1=CC=CN1N P15055 [0,1,0,0,1,0|2,0,0]=4 478 B9R1.41 O=C(O)C1=C(Br)C=CN1 C10492 [0,1,0,0,1,0|1,0,0]=3 479 B9R1.41 O=C(O)C1=C(Br)C=CO1 71103 [0,1,0,0,1,0|1,0,0]=3 480 B9R1.41 O=C(O)C1=C(Br)N=CS1 88253 [0,1,0,0,1,0|2,0,0]=4 481 B9R1.41 O=C(O)C1=C(Br)NC=N1 D86912 [0,1,0,0,1,0|2,0,0]=4 482 B9R1.41 O=C(O)C1=C(Cl)C=NN1 W10253 [0,1,0,0,1,0|2,0,0]=4 483 B9R1.41 O=C(O)C1=C(Cl)C=NS1 S11450 [0,1,0,0,1,0|2,0,0]=4 484 B9R1.41 O=C(O)C1=C(Cl)OC=C1 W18500 [0,1,0,0,1,0|1,0,0]=3 485 B9R1.41 O=C(O)C1=C(Cl)SC=C1 27789 [0,1,0,0,1,0|1,0,0]=3 486 B9R1.41 O=C(O)C1=C(F)C=CN1 91531 [0,1,0,0,1,0|1,0,0]=3 487 B9R1.41 O=C(O)C1=C(I)SC=C1 A11648 [0,1,0,0,1,0|1,0,0]=3 488 B9R1.41 O=C(O)C1=C(O)C=CS1 Y10188 [0,1,0,0,1,0|1,0,0]=3 489 B9R1.41 O=C(O)C1=NNC=C1Cl 24966 [0,1,0,0,1,0|2,0,0]=4 490 B9R1.41 O=C(O)C1=NNC=C1F C91234 [0,1,0,0,1,0|2,0,0]=4 491 B11R1.20 CC(=O)NC1=CN=C(C)C=C1 N16920 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.20 CC(=O)NC1=CN=C(O)C=C1 C75099 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.20 CC(=O)NC1=NC=C(O)C=C1 C73008 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 56191 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [0,1,0,0,0,1|1,0,1]=4 496 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 24230 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [0,1,0,0,0,1|1,0,0]=3 498 B11R1.20 NC(=O)CC1=CN=C(Cl)C=C1 84999 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.20 NC(=O)CC1=NC=C(Br)C=C1 F19774 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.20 NC1=NC=C(CC(=O)O)C=C1 F18175 [0,1,0,0,0,1|1,0,0]=3 501 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 52120 [0,1,0,0,0,1|0,0,0]=2 502 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 89138 [0,1,0,0,0,1|1,0,0]=3 503 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 P10959 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 89139 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 27383 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.20 O=C(O)CC1=NC=C(I)C=C1 P12089 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.20 O=C(O)CC1=NC=C(O)C=C1 W18187 [0,1,0,0,0,1|1,0,0]=3 508 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [0,1,0,0,0,1|1,0,0]=3 509 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [0,1,0,0,0,1|1,0,0]=3 510 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 79624 [0,1,0,0,0,1|1,0,0]=3 512 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [0,1,0,0,0,1|1,0,1]=4 513 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AC7675 [0,1,0,0,0,1|1,0,0]=3 514 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,1,0,0,0,1|1,0,1]=4 515 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,1,0,0,0,1|1,0,0]=3 517 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,1,0,0,0,1|1,0,0]=3 518 B11R1.40 COC(=O)CC1=NC=NC=C1 P11690 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22065 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.40 NCC(=O)NC1=CC=CC=C1 AB22066 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,1,0,0,0,1|1,0,0]=3 525 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,1,0,0,0,1|1,0,0]=3 526 B11R1.40 O=C(CO)NC1=CC=CC=C1 C77599 [0,1,0,0,0,1|0,0,0]=2 527 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,1,0,0,0,1|1,0,1]=4 528 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 AR2168 [0,1,0,0,0,1|1,0,0]=3 529 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [0,1,0,0,0,1|1,0,1]=4 530 B11R1.86 FC1=C(C=C(Br)Br)C=CC=C1 D79986 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.86 NC(=O)NC1=C(Cl)C=CC=C1 W18608 [0,1,0,0,0,1|1,0,0]=3 532 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 73446 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.86 O=C(O)CC1=C(F)C=CC=N1 S10090 [0,1,0,0,0,1|1,0,0]=3 534 B11R1.86 O=C(O)CC1=CC=CN=C1Br D85902 [0,1,0,0,0,1|1,0,0]=3 535 B11R1.86 O=C(O)CC1=NC=CN=C1Cl P11662 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.86 O=C(O)CN1C=CC=CC1=O 71529 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.86 O=C(O)CN1C=CC=NC1=O W12296 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.86 O=C([O-])CC1=C(Cl)C=CC=N1 27510 [0,1,0,0,0,1|1,0,1]=4 539 B11R1.86 O=C([O-])CC1=C(F)C=CC=N1 98377 [0,1,0,0,0,1|1,0,1]=4 540 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 36520 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.157 CC(=O)NC1=NC=CC(N)=C1 FD10602 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.157 CC(=O)OC1=CC=CC(Cl)=C1 Y11318 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.157 CC(=O)OC1=CC=CC(I)=C1 C75148 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 D80704 [0,1,0,0,0,1|1,0,0]=3 545 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 P17359 [0,1,0,0,0,1|1,0,0]=3 546 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 S10096 [0,1,0,0,0,1|1,0,0]=3 547 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 26369 [0,1,0,0,0,1|1,0,0]=3 548 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 36391 [0,1,0,0,0,1|1,0,1]=4 549 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [0,1,0,0,0,1|1,0,1]=4 550 B11R1.157 N=C(N)NC1=CC=CC(Br)=C1 C16548 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [0,1,0,0,0,1|1,0,0]=3 552 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y11285 [0,1,0,0,0,1|1,0,0]=3 554 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 39149 [0,1,0,0,0,1|1,0,0]=3 555 B11R1.157 O=C(O)CC1=CC=CC(Br)=N1 C71333 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.157 O=C(O)CC1=CC=CC(Cl)=N1 F14480 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 P10854 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.157 O=C(O)CC1=CN=CC(Cl)=N1 26805 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.157 O=C(O)CC1=NC=CC(Br)=C1 C71755 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.509 O=S(=O)(O)CC1=NC=CC=C1 95731 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 A50667 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 P18107 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 AC1342 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 CL9316 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.3 CC(=O)C1=NC=C(C#N)C=C1 W17133 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 S10908 [0,2,0,0,0,0|1,0,0]=3 568 B11R1.3 CCC1=NC=C(C(=O)O)C=C1 W10833 [0,2,0,0,0,0|1,0,0]=3 569 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 69207 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.3 CCC1=NC=C(C(=O)O)C=N1 C80031 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 H10198 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72879 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 C72977 [0,2,0,0,0,0|1,0,1]=4 574 B11R1.3 COC1=CN=C(C(=O)O)N=C1 72368 [0,2,0,0,0,0|2,0,0]=4 575 B11R1.3 COC1=NN=C(C(=O)O)C=C1 P10767 [0,2,0,0,0,0|2,0,0]=4 576 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13986 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.3 C[S@](=O)C1=CC=C(C#N)C=C1 W16291 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.3 C[S@](=O)C1=CC=C(CN)C=C1 AR2414 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.3 N#CC1=CN=C(C(=O)O)C=N1 O11418 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.3 N#CC1=CN=C(C(=O)O)N=C1 55103 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 38471 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 F58592 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.3 NC(=O)C1=CC=C(CO)C=C1 D82598 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 W15750 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.3 NCC1=CN=C(C(=O)O)C=C1 N14194 [0,2,0,0,0,0|1,0,0]=3 586 B11R1.3 NCC1=NC=C(C(=O)O)C=C1 51960 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 11076 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 73838 [0,2,0,0,0,0|1,0,1]=4 589 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 O12033 [0,2,0,0,0,0|1,0,1]=4 590 B11R1.3 O=C(O)C1=CN=C(CO)C=C1 P18087 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 C75020 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 20480 [0,2,0,0,0,0|1,0,0]=3 593 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 55666 [0,2,0,0,0,0|1,0,0]=3 594 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 63204 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 87616 [0,2,0,0,0,0|1,0,0]=3 596 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 91259 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C73216 [0,2,0,0,0,0|1,0,0]=3 598 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3396 [0,2,0,0,0,0|1,0,0]=3 599 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS3405 [0,2,0,0,0,0|1,0,0]=3 600 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 D83842 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F51928 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 H11175 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 P18527 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 S11121 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10985 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13813 [0,2,0,0,0,0|1,0,0]=3 607 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13814 [0,2,0,0,0,0|1,0,0]=3 608 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13829 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 38109 [0,2,0,0,0,0|1,0,1]=4 610 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 D70941 [0,2,0,0,0,0|1,0,1]=4 611 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 C75280 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.19 CS(=O)(=O)C1=CC=C(I)C=C1 AC6545 [0,2,0,0,0,0|1,0,1]=4 613 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W10955 [0,2,0,0,0,0|2,0,0]=4 614 B11R1.19 NC1=CC=C(S(=O)(=O)F)C=C1 D72000 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 I12019 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.19 O=P(O)(O)C1=CC=C(O)C=C1 T72323 [0,2,0,0,0,0|1,0,0]=3 617 B11R1.19 O=S(=O)(Cl)C1=CC=C(O)C=C1 F21306 [0,2,0,0,0,0|1,0,1]=4 618 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 FD13126 [0,2,0,0,0,0|1,0,0]=3 619 B11R1.21 CC(=O)C1=CC(=O)N(C)C=C1 90625 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.21 CC(=O)C1=CC(Br)=C(I)C=C1 C77271 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.21 CC(=O)C1=CC(C)=C(Br)C=N1 F53231 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.21 CC(=O)C1=CC(Cl)=C(N)C=C1 20733 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 C15500 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 21187 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.21 CC(=O)C1=CC(N)=C(C)C=C1 C73283 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.21 CC(=O)C1=CC(N)=C(F)C=C1 FD17092 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.21 CC(=O)C1=CC(N)=C(N)C=C1 D70632 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 T71038 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.21 CC(=O)C1=CC(O)=C(Br)C=C1 AB10068 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.21 CC(=O)C1=CN(C)C(=O)C=C1 90627 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.21 CC(=O)C1=CN=C(C)C(C)=C1 D93974 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.21 CC(=O)C1=CN=C(Cl)C(C)=C1 C72016 [0,2,0,0,0,0|2,0,0]=4 633 B11R1.21 CC(=O)C1=CN=C(N)C(C)=C1 D80389 [0,2,0,0,0,0|2,0,0]=4 634 B11R1.21 CC1=C(Br)C=C(C(=O)O)N=C1 C71660 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.21 CC1=C(Br)C=CC(B(O)O)=C1 C74119 [0,2,0,0,0,0|1,0,1]=4 636 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 C76662 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.21 CC1=C(Cl)C=C(C(=O)O)N=C1 O11218 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.21 CC1=C(Cl)C=CC([C@H](C)O)=C1 W19076 [0,2,0,0,0,0|1,0,1]=4 639 B11R1.21 CC1=C(F)C=C(C(=O)O)C=N1 C10557 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.21 CC1=C(F)C=CC(C(N)=O)=C1 A51175 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 F16733 [0,2,0,0,0,0|1,0,1]=4 642 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 W17226 [0,2,0,0,0,0|1,0,1]=4 643 B11R1.21 CC1=C(O)N=C(C(=O)O)C=C1 90209 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.21 CC1=C(S)C=CC([N+](=O)[O-])=C1 N16881 [0,2,0,0,0,0|1,0,1]=4 645 B11R1.21 CC1=CC(C(=O)O)=CN=C1C D86774 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.21 CC1=CC(C(=O)O)=CNC1=O RB1153 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.21 CC1=CC(C(N)=O)=CN=C1C D93908 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.21 CC1=CC=C(C(=O)O)N=C1Br 87755 [0,2,0,0,0,0|1,0,0]=3 649 B11R1.21 CC1=NC(C(=O)O)=CN=C1Cl 57161 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.21 CC1=NC=C(C(=O)O)C=C1N 38876 [0,2,0,0,0,0|1,0,0]=3 651 B11R1.21 CN1C=C(C(N)=O)C=CC1=O C76234 [0,2,0,0,0,0|2,0,0]=4 652 B11R1.21 CN1C=CC(C(N)=O)=CC1=O P10284 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.21 N=C(N)C1=CC(Br)=C(F)C=C1 BL001616 [0,2,0,0,0,0|2,0,0]=4 654 B11R1.21 N=C(N)C1=CC(Cl)=C(Cl)C=C1 A12573 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.21 N=C(N)C1=CC(F)=C(F)C=C1 F21414 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 25512 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 P20972 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 D73480 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.21 NC(=O)C1=CC(O)=C(Br)C=C1 AC7242 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.21 NC(=O)C1=CC(O)=C(N)C=C1 Y11587 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.21 NC(=O)C1=CC=C(F)C(Br)=N1 D79819 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.21 NC(=O)C1=CN=C(Br)C(Cl)=C1 W18383 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.21 NC1=C(Br)C=NC(C(=O)O)=C1 P12943 [0,2,0,0,0,0|1,0,0]=3 664 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=N1 D83582 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.21 NC1=C(F)C=C(B(O)O)C=C1 D86713 [0,2,0,0,0,0|1,0,1]=4 666 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 S10893 [0,2,0,0,0,0|0,0,0]=2 667 B11R1.21 NC1=C(S)C=C([N+](=O)[O-])C=C1 S11317 [0,2,0,0,0,0|1,0,1]=4 668 B11R1.21 NC1=CC(C(=O)O)=CN=C1N C74383 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 37237 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 F31188 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=N1 A51162 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=N1 P19208 [0,2,0,0,0,0|1,0,0]=3 673 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 D84788 [0,2,0,0,0,0|0,0,0]=2 674 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 CK2246 [0,2,0,0,0,0|0,0,0]=2 675 B11R1.21 O=C(O)C1=CC=C(Br)C(Br)=N1 22742 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.21 O=C(O)C1=CC=C(Cl)C(Br)=N1 22761 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 31381 [0,2,0,0,0,0|1,0,0]=3 678 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=N1 N13206 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 24357 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 P10667 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 AC2078 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.21 O=[N+]([O-])C1=CC(I)=C(Br)C=C1 W18337 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.21 OB(O)C1=CC(Br)=C(F)C=C1 C11245 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.22 C#CC(=O)C1=CC=C(F)C=C1 W16135 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.22 C#C[C@@H](O)C1=CC=C(F)C=C1 W16136 [0,2,0,0,0,0|1,0,1]=4 686 B11R1.22 C=CC(=O)C1=CC=C(F)C=C1 AB9399 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.22 CC1=CC=C(C(=O)CCl)C=C1 D93745 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 D81498 [0,2,0,0,0,0|1,0,1]=4 689 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N10531 [0,2,0,0,0,0|1,0,1]=4 690 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11058 [0,2,0,0,0,0|1,0,1]=4 691 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 N11096 [0,2,0,0,0,0|1,0,1]=4 692 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y10547 [0,2,0,0,0,0|1,0,1]=4 693 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 Y13360 [0,2,0,0,0,0|1,0,1]=4 694 B11R1.22 CCC(=O)C1=CN=C(Cl)C=C1 F13171 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.22 CCC(=O)C1=NC=C(Br)C=C1 N14256 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.22 CCC(=O)C1=NC=C(Cl)C=C1 D81575 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [0,2,0,0,0,0|0,0,0]=2 701 B11R1.22 COC(=O)C1=CNC(=O)N=C1 C75373 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.22 COC(=O)C1=CNC(=O)N=C1 F12628 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.22 COC(=O)C1=NC=C(C)C=N1 37740 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 72490 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.22 COC(=O)C1=NC=C(F)C=N1 28016 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.22 COC(=O)C1=NC=C(N)C=N1 P13628 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.22 COC(=O)C1=NC=C(O)C=N1 P14075 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 72416 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.22 COC(=O)C1=NN=C(C)C=C1 29806 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.22 COC(=O)C1=NN=C(N)C=C1 30525 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.22 N#CC(=O)C1=CC=C(Br)C=C1 AB1242 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.22 N#C[C@@H](O)C1=CC=C(Br)C=C1 W15228 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 26252 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.22 NNC(=S)C1=CC=C(Cl)C=C1 W10978 [0,2,0,0,0,0|1,1,0]=4 716 B11R1.22 NNC(=S)C1=CC=C(F)C=C1 W10976 [0,2,0,0,0,0|1,1,0]=4 717 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 D83092 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11041 [0,2,0,0,0,0|1,0,1]=4 719 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11043 [0,2,0,0,0,0|1,0,1]=4 720 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 I11713 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 Y11114 [0,2,0,0,0,0|1,0,1]=4 722 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10527 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N10528 [0,2,0,0,0,0|1,0,1]=4 724 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10651 [0,2,0,0,0,0|1,0,1]=4 725 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 Y10776 [0,2,0,0,0,0|1,0,1]=4 726 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 F16942 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11004 [0,2,0,0,0,0|1,0,1]=4 728 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11005 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 I11499 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 Y10343 [0,2,0,0,0,0|1,0,1]=4 731 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 N10665 [0,2,0,0,0,0|1,0,1]=4 732 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12067 [0,2,0,0,0,0|1,0,1]=4 733 B11R1.22 N[C@@H](CO)C1=CC=C(I)C=C1 Y12960 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10690 [0,2,0,0,0,0|1,0,1]=4 735 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y10915 [0,2,0,0,0,0|1,0,1]=4 736 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 Y11472 [0,2,0,0,0,0|1,0,1]=4 737 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 A12574 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.22 N\C(=N/O)C1=CC=C(O)C=C1 60210 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.22 O=C(CBr)C1=CN=C(Br)C=C1 D94486 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 80107 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 77934 [0,2,0,0,0,0|1,0,0]=3 742 B11R1.22 O=C(CCl)C1=CN=C(Cl)C=C1 83967 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.22 O=C(CCl)C1=NC=C(F)C=C1 AC1560 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.22 O=C(CO)C1=CC=C(I)C=C1 27936 [0,2,0,0,0,0|0,0,0]=2 745 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [0,2,0,0,0,0|0,0,2]=4 746 B11R1.22 O\N=C(/Cl)C1=CC=C(Br)C=C1 65916 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 A12381 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.166 CC(=O)C1=C(Br)C=C(C)C=C1 77817 [0,2,0,0,0,0|1,0,0]=3 749 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 34088 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 52517 [0,2,0,0,0,0|1,0,0]=3 751 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 79163 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=N1 BL010219 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 I12065 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.166 CC(=O)C1=C(F)C=C(F)C=N1 50881 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 W18192 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.166 CC(=O)C1=CC=C(F)N=C1F O10255 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.166 CC(=O)C1=CN=C(Cl)C=C1Cl 86422 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.166 CC(=O)C1=NC=C(Br)C=C1C C14359 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1C D79870 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.166 CC(=O)C1=NC=C(Cl)C=C1F BL010223 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.166 CC1=C(B(O)O)C=CC(Br)=C1 A12288 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.166 CC1=C(C(=O)O)C=CC(I)=C1 31871 [0,2,0,0,0,0|0,0,0]=2 763 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=N1 CS1395 [0,2,0,0,0,0|2,0,0]=4 764 B11R1.166 CC1=C(C(=O)O)C=NC(N)=C1 W11094 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.166 CC1=C([N+](=O)[O-])C=CC(I)=C1 D71992 [0,2,0,0,0,0|1,0,1]=4 766 B11R1.166 CC1=C([N+](=O)[O-])C=CC(S)=C1 N16874 [0,2,0,0,0,0|1,0,1]=4 767 B11R1.166 CC1=CC(F)=C(C(=O)O)N=C1 P12274 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 Y10097 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.166 CC1=NC(N)=C(C(=O)O)C=N1 F52074 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.166 CC1=NC(N)=C(C(N)=O)C=C1 D83361 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 C16751 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 35389 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 C72078 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.166 NC(=O)C1=C(Cl)C=C(Cl)C=N1 RB3269 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 25114 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 C76630 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 72118 [0,2,0,0,0,0|1,0,0]=3 779 B11R1.166 NC(=O)C1=C(O)C=C(N)C=C1 O11153 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.166 NC(=O)C1=C(O)N=C(O)C=C1 95017 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.166 NC(=O)C1=CC=C(N)N=C1F F20207 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.166 NC(=O)C1=NC=C(Br)C=C1F D79818 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1F D79885 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.166 NC1=C(C(=O)O)C=NC(Cl)=N1 N10067 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.166 NC1=C(C(=O)O)N=CC(Cl)=N1 77983 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=N1 I11984 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O 38415 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.166 NC1=CC(F)=NC=C1C(=O)O 37635 [0,2,0,0,0,0|1,0,0]=3 789 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 D95034 [0,2,0,0,0,0|0,0,0]=2 790 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)N=C1 F11789 [0,2,0,0,0,0|1,0,0]=3 791 B11R1.166 O=C(O)C1=C(Br)C=C(O)C=C1 C13381 [0,2,0,0,0,0|0,0,0]=2 792 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=N1 BL010109 [0,2,0,0,0,0|1,0,0]=3 793 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 F10539 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.166 O=C(O)C1=C(F)C=C(O)C=N1 D79760 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 RB3340 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.166 O=C(O)C1=CC=C(F)N=C1Br F30561 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl W16949 [0,2,0,0,0,0|1,0,0]=3 798 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Br F11779 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl F11857 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.166 O=C(O)C1=CN=C(F)C=C1F S10764 [0,2,0,0,0,0|1,0,0]=3 801 B11R1.166 O=C(O)C1=NC=C(Br)C=C1O 54575 [0,2,0,0,0,0|1,0,0]=3 802 B11R1.166 O=C(O)C1=NC=C(Cl)NC1=O W17937 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.166 O=C1C=C(O)C(C(=O)O)=NN1 W19694 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(Br)C=C1 Y12426 [0,2,0,0,0,0|1,0,1]=4 805 B11R1.166 O=[N+]([O-])C1=C(I)C=C(O)C=C1 23870 [0,2,0,0,0,0|1,0,1]=4 806 B11R1.166 OB(O)C1=C(F)C=C(Br)C=C1 I12620 [0,2,0,0,0,0|1,0,1]=4 807 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 I12051 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,2,0,0,0,0|1,0,1]=4 810 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [0,2,0,0,0,0|1,0,1]=4 811 B11R1.16 CCCC(=O)C1=CN=CC=C1 N12405 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.16 CCCC(=O)C1=NC=CC=C1 55420 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [0,2,0,0,0,0|0,0,0]=2 815 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [0,2,0,0,0,0|1,0,1]=4 818 B11R1.16 O=C(CCO)C1=CC=CC=C1 A11168 [0,2,0,0,0,0|0,0,0]=2 819 B11R1.23 C#C[C@@H](O)C1=CC=CC(F)=C1 79796 [0,2,0,0,0,0|1,0,1]=4 820 B11R1.23 CC1=CC(C(=O)NN)=CN=C1 79461 [0,2,0,0,0,0|2,0,0]=4 821 B11R1.23 CC1=CC=CC(C(=O)CBr)=C1 S10680 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11093 [0,2,0,0,0,0|1,0,1]=4 823 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11094 [0,2,0,0,0,0|1,0,1]=4 824 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 N11207 [0,2,0,0,0,0|1,0,1]=4 825 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10647 [0,2,0,0,0,0|1,0,1]=4 826 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y10654 [0,2,0,0,0,0|1,0,1]=4 827 B11R1.23 CC1=CC=CC([C@@H](N)CO)=C1 Y12450 [0,2,0,0,0,0|1,0,1]=4 828 B11R1.23 CCC(=O)C1=CC(F)=CN=C1 D81551 [0,2,0,0,0,0|2,0,0]=4 829 B11R1.23 CCC(=O)C1=CC=CC(Br)=N1 F50478 [0,2,0,0,0,0|2,0,0]=4 830 B11R1.23 CCC(=O)C1=NC=CC(Cl)=C1 FD10573 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.23 CNC(=O)C1=CC(Br)=CN=C1 A12089 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.23 CNC(=O)C1=NC=CC(Br)=C1 D80651 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.23 COC(=O)C1=CC(=O)C=CN1 C77360 [0,2,0,0,0,0|1,0,0]=3 834 B11R1.23 COC(=O)C1=CC(Br)=NC=N1 C71735 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.23 COC(=O)C1=CC(F)=NC=C1 C10485 [0,2,0,0,0,0|1,0,0]=3 836 B11R1.23 COC(=O)C1=CN=CC(Br)=N1 25757 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.23 COC(=O)C1=NC(=O)NC=C1 C77281 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.23 COC(=O)C1=NC(C)=NC=C1 90607 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.23 COC(=O)C1=NC(N)=CC=N1 AT18258 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.23 COC(=O)C1=NC(N)=NC=C1 H10331 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.23 COC(=O)C1=NC=NC(C)=C1 P11578 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.23 COC(=O)C1=NC=NC(N)=C1 39272 [0,2,0,0,0,0|2,0,0]=4 843 B11R1.23 COC(=O)C1=NN=CC(C)=C1 F30429 [0,2,0,0,0,0|2,0,0]=4 844 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [0,2,0,0,0,0|1,0,1]=4 845 B11R1.23 NNC(=O)C1=CC=CC(=O)N1 C77301 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.23 NNC(=O)C1=NC(N)=CC=C1 F13874 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.23 NNC(=O)C1=NC=CC(Cl)=C1 F19685 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11040 [0,2,0,0,0,0|1,0,1]=4 849 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 I11042 [0,2,0,0,0,0|1,0,1]=4 850 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 N11209 [0,2,0,0,0,0|1,0,1]=4 851 B11R1.23 N[C@@H](CO)C1=CC=CC(Br)=C1 Y10525 [0,2,0,0,0,0|1,0,1]=4 852 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 F16952 [0,2,0,0,0,0|1,0,1]=4 853 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 I11003 [0,2,0,0,0,0|1,0,1]=4 854 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10108 [0,2,0,0,0,0|1,0,1]=4 855 B11R1.23 N[C@@H](CO)C1=CC=CC(Cl)=C1 Y10643 [0,2,0,0,0,0|1,0,1]=4 856 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 F16917 [0,2,0,0,0,0|1,0,1]=4 857 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N11105 [0,2,0,0,0,0|1,0,1]=4 858 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10686 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 Y10867 [0,2,0,0,0,0|1,0,1]=4 860 B11R1.23 N[C@@H](CO)C1=CC=CC(O)=C1 Y10947 [0,2,0,0,0,0|1,0,1]=4 861 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 80119 [0,2,0,0,0,0|2,0,0]=4 862 B11R1.23 O=C(CCl)C1=NC=CC(Cl)=C1 78962 [0,2,0,0,0,0|2,0,0]=4 863 B11R1.23 O=C(CO)C1=CC=CC(Cl)=C1 AC6589 [0,2,0,0,0,0|0,0,0]=2 864 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 N16981 [0,2,0,0,0,0|0,0,1]=3 865 B11R1.23 OC[C@H](Cl)C1=CC=CC(Cl)=C1 58254 [0,2,0,0,0,0|1,0,1]=4 866 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [0,2,0,0,0,0|1,0,1]=4 867 B11R1.222 CC1=C(C(=O)C#N)C=CC=C1 AB1507 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D80972 [0,2,0,0,0,0|1,0,1]=4 869 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 D81235 [0,2,0,0,0,0|1,0,1]=4 870 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N11177 [0,2,0,0,0,0|1,0,1]=4 871 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.222 CC1=CC=CN=C1\C(N)=N\O W10706 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.222 CCC(=O)C1=C(Br)C=CC=N1 D81028 [0,2,0,0,0,0|2,0,0]=4 874 B11R1.222 CNC(=O)C1=CNC=CC1=O F11755 [0,2,0,0,0,0|2,0,0]=4 875 B11R1.222 COC(=O)C1=C(Br)C=CN=C1 I11422 [0,2,0,0,0,0|1,0,0]=3 876 B11R1.222 COC(=O)C1=C(Br)C=NC=N1 67174 [0,2,0,0,0,0|2,0,0]=4 877 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 26180 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.222 COC(=O)C1=C(N)N=CN=C1 26406 [0,2,0,0,0,0|2,0,0]=4 879 B11R1.222 COC(=O)C1=C(N)N=NC=C1 32233 [0,2,0,0,0,0|2,0,0]=4 880 B11R1.222 COC(=O)C1=C(O)C=CN=C1 F30285 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.222 COC(=O)C1=CC=NN=C1Cl AT22445 [0,2,0,0,0,0|2,0,0]=4 882 B11R1.222 COC(=O)C1=CC=NNC1=O P11740 [0,2,0,0,0,0|2,0,0]=4 883 B11R1.222 COC(=O)C1=NC=CN=C1F P16242 [0,2,0,0,0,0|2,0,0]=4 884 B11R1.222 COC(=O)C1=NC=CN=C1I 30615 [0,2,0,0,0,0|2,0,0]=4 885 B11R1.222 COC(=O)C1=NC=NC=C1N P21150 [0,2,0,0,0,0|2,0,0]=4 886 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W19004 [0,2,0,0,0,0|1,0,0]=3 887 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [0,2,0,0,0,0|1,0,1]=4 888 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81268 [0,2,0,0,0,0|1,0,1]=4 889 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 D81404 [0,2,0,0,0,0|1,0,1]=4 890 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12047 [0,2,0,0,0,0|1,0,1]=4 891 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 Y12048 [0,2,0,0,0,0|1,0,1]=4 892 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11089 [0,2,0,0,0,0|1,0,1]=4 893 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 N11090 [0,2,0,0,0,0|1,0,1]=4 894 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y10773 [0,2,0,0,0,0|1,0,1]=4 895 B11R1.222 N[C@@H](CO)C1=C(Cl)C=CC=C1 Y13361 [0,2,0,0,0,0|1,0,1]=4 896 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 D83963 [0,2,0,0,0,0|1,0,1]=4 897 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11002 [0,2,0,0,0,0|1,0,1]=4 898 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 I11143 [0,2,0,0,0,0|1,0,1]=4 899 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y10336 [0,2,0,0,0,0|1,0,1]=4 900 B11R1.222 N[C@@H](CO)C1=C(F)C=CC=C1 Y12049 [0,2,0,0,0,0|1,0,1]=4 901 B11R1.222 N\C(=N\O)C1=C(Cl)C=CC=C1 W10711 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.222 O=C(CBr)C1=C(Cl)N=CC=C1 F10492 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 75535 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.222 O=C(CO)C1=C(Cl)C=CC=C1 AC1212 [0,2,0,0,0,0|0,0,0]=2 905 B11R1.87 CC1=C(S(=O)(=O)O)C=CC=C1 C73659 [0,2,0,0,0,0|1,0,0]=3 906 B11R1.87 CC1=CC=CN=C1S(=O)(=O)O C73655 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.87 CS(=O)(=O)C1=C(N)C=CC=C1 AC1456 [0,2,0,0,0,0|1,0,1]=4 908 B11R1.155 CC(C)(O)C1=CC=CC(O)=C1 AC1663 [0,2,0,0,0,0|1,0,1]=4 909 B11R1.155 CC1=CC(S(=O)(=O)O)=CN=C1 C10904 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.155 CS(=O)(=O)C1=CC(O)=CC=C1 A12065 [0,2,0,0,0,0|1,0,1]=4 911 B11R1.155 CS(=O)(=O)C1=CC=CC(Cl)=C1 AC1312 [0,2,0,0,0,0|1,0,1]=4 912 B11R1.155 NS(=O)(=O)C1=CC(O)=CC=C1 AB10153 [0,2,0,0,0,0|1,0,1]=4 913 B11R1.155 NS(=O)(=O)C1=CC=CC(I)=C1 D85694 [0,2,0,0,0,0|1,0,1]=4 914 B11R1.155 O=S(=O)(F)C1=CC=CC(Br)=C1 F53144 [0,2,0,0,0,0|1,0,1]=4 915 B11R1.155 O=S(=O)(O)C1=CC=CC(Cl)=C1 A12252 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.155 O=S(=O)(O)C1=CC=CC(I)=C1 AR3554 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.53 C#CC1=C(B(O)O)C=CC=C1 S10014 [0,2,0,0,0,0|1,0,1]=4 918 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 77937 [0,2,0,0,0,0|0,0,0]=2 919 B11R1.53 C#CC1=C(C(C)=O)C=CC=C1 79244 [0,2,0,0,0,0|1,0,0]=3 920 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 O10770 [0,2,0,0,0,0|1,0,0]=3 921 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 O11001 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 C75477 [0,2,0,0,0,0|1,0,0]=3 923 B11R1.53 CCC1=C(C(C)=O)C=CC=C1 A10857 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 C73575 [0,2,0,0,0,0|1,0,0]=3 925 B11R1.53 COC1=C(C(=N)N)C=CC=C1 71596 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.53 COC1=C(C(C)=O)C=CC=N1 32755 [0,2,0,0,0,0|2,0,0]=4 927 B11R1.53 COC1=C(C(C)=O)C=CN=C1 C76667 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.53 COC1=C(C(C)=O)C=NC=C1 CS1683 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.53 COC1=NC=CN=C1C(=O)O 26255 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.53 CSC1=C([N+](=O)[O-])C=CC=C1 C74572 [0,2,0,0,0,0|1,0,1]=4 931 B11R1.53 N#CC1=C(C(=O)O)C=CC=N1 O10763 [0,2,0,0,0,0|1,0,0]=3 932 B11R1.53 N#CC1=C(C(=O)O)C=CN=C1 85333 [0,2,0,0,0,0|1,0,0]=3 933 B11R1.53 N#CC1=C(C(=O)O)C=NC=C1 38303 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.53 N#CC1=CC=CN=C1C(=O)O 38302 [0,2,0,0,0,0|1,0,0]=3 935 B11R1.53 NC(=O)C1=C(CBr)C=CC=C1 26663 [0,2,0,0,0,0|1,0,0]=3 936 B11R1.53 NCC1=C(B(O)O)C=CC=C1 N11807 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.156 CC(=O)C1=C(Br)C=NC=C1F 88880 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Br 55290 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.156 CC(=O)C1=C(Cl)C=CN=C1Cl 72214 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.156 CC(=O)C1=C(Cl)C=NC=C1Cl FD10663 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.156 CC(=O)C1=C(F)C=CC=C1C CL9504 [0,2,0,0,0,0|1,0,0]=3 942 B11R1.156 CC(=O)C1=C(F)C=CC=C1N C76841 [0,2,0,0,0,0|1,0,0]=3 943 B11R1.156 CC(=O)C1=C(N)C=CN=C1Cl D83525 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.156 CC(=O)C1=C(O)C=CC=C1C CL9444 [0,2,0,0,0,0|1,0,0]=3 945 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 H10306 [0,2,0,0,0,0|1,0,0]=3 946 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 57354 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 81867 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.156 CC1=CC=CC(Cl)=C1C(=O)Cl 30562 [0,2,0,0,0,0|1,0,0]=3 949 B11R1.156 CC1=CC=CC(F)=C1B(O)O C76971 [0,2,0,0,0,0|1,0,1]=4 950 B11R1.156 CC1=CC=NC(N)=C1C(=O)O H10318 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.156 CC1=CN=CC(C)=C1C(N)=O AT11860 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.156 CC1=CN=CC(F)=C1C(=O)O AT23873 [0,2,0,0,0,0|1,0,0]=3 953 B11R1.156 CC1=CN=CC(F)=C1C(=O)O C14362 [0,2,0,0,0,0|1,0,0]=3 954 B11R1.156 NC(=O)C1=C(Br)C=NC=C1F 26678 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.156 NC(=O)C1=C(I)C=CC=C1Cl 35383 [0,2,0,0,0,0|1,0,0]=3 956 B11R1.156 NC1=C(C(=O)O)C(Br)=NC=C1 O11151 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.156 NC1=C(C(=O)O)C(Cl)=NC=C1 86987 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.156 NC1=CC=CC(I)=C1C(=O)O FD13014 [0,2,0,0,0,0|0,0,0]=2 959 B11R1.156 NC1=NC=CC(Cl)=C1C(=O)O 36262 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.156 O=C(Cl)C1=C(Br)C=CC=C1F CK1090 [0,2,0,0,0,0|1,0,0]=3 961 B11R1.156 O=C(O)C1=C(Br)C=CC=C1O C15718 [0,2,0,0,0,0|0,0,0]=2 962 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Br D83260 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.156 O=C(O)C1=C(Br)C=CN=C1Cl 55292 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.156 O=C(O)C1=C(Br)C=CN=C1F 79053 [0,2,0,0,0,0|1,0,0]=3 965 B11R1.156 O=C(O)C1=C(Cl)C=NC=C1F 90326 [0,2,0,0,0,0|1,0,0]=3 966 B11R1.156 O=C(O)C1=C(I)C=CC=C1Br 81858 [0,2,0,0,0,0|0,0,0]=2 967 B11R1.156 O=C(O)C1=C(O)C=CN=C1Br D94451 [0,2,0,0,0,0|1,0,0]=3 968 B11R1.156 O=[N+]([O-])C1=C(Br)C=CC=C1Cl N12302 [0,2,0,0,0,0|1,0,1]=4 969 B11R1.156 OB(O)C1=C(Cl)C=CC=C1O H11802 [0,2,0,0,0,0|1,0,1]=4 970 B11R1.159 CC(=O)C1=C(N)C(C)=CC=C1 W18414 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.159 CC(=O)C1=C(N)C(Cl)=NC=C1 F53540 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 24067 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 O10249 [0,2,0,0,0,0|1,0,0]=3 974 B11R1.159 CC(=O)C1=CC=CC(Br)=C1C CL9266 [0,2,0,0,0,0|1,0,0]=3 975 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1N 51210 [0,2,0,0,0,0|1,0,0]=3 976 B11R1.159 CC(=O)C1=CC=CC(F)=C1Br C73097 [0,2,0,0,0,0|1,0,0]=3 977 B11R1.159 CC(=O)C1=CC=CC(N)=C1F C72091 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O Y10130 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.159 CC1=C(Br)C=NC=C1C(=O)O 82203 [0,2,0,0,0,0|1,0,0]=3 980 B11R1.159 CC1=C(C(=O)O)N=CN=C1Cl 70443 [0,2,0,0,0,0|2,0,0]=4 981 B11R1.159 CC1=C(C)C(C(=O)O)=NC=N1 72793 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.159 CC1=C(N)C(C(=O)O)=NC=C1 D83392 [0,2,0,0,0,0|1,0,0]=3 983 B11R1.159 CC1=NC=CC(C(=O)O)=C1N C90386 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.159 CN1C(=O)C=CC=C1C(=O)O 26241 [0,2,0,0,0,0|1,0,0]=3 985 B11R1.159 C[C@H](O)C1=CC=CC(Br)=C1F 33965 [0,2,0,0,0,0|1,0,1]=4 986 B11R1.159 N=C(N)C1=CC=CC(Cl)=C1Cl 71884 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.159 NC(=O)C1=C(Cl)C(Cl)=CC=N1 58503 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.159 NC(=O)C1=C(N)C(Cl)=NC=C1 C74761 [0,2,0,0,0,0|2,0,0]=4 989 B11R1.159 NC(=O)C1=CC=CC(Br)=C1F 36237 [0,2,0,0,0,0|1,0,0]=3 990 B11R1.159 NC(=O)C1=CC=CC(Br)=C1N 26259 [0,2,0,0,0,0|1,0,0]=3 991 B11R1.159 NC(=O)C1=CC=CC(F)=C1F A12174 [0,2,0,0,0,0|1,0,0]=3 992 B11R1.159 NC(=O)C1=CC=CC(F)=C1N 35380 [0,2,0,0,0,0|1,0,0]=3 993 B11R1.159 NC(=O)C1=CC=CC(N)=C1F C72490 [0,2,0,0,0,0|1,0,0]=3 994 B11R1.159 NC(=O)C1=CN=CC(Cl)=C1Cl F20288 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl 36261 [0,2,0,0,0,0|1,0,0]=3 996 B11R1.159 NC1=C(F)C(C(=O)O)=CC=N1 D83637 [0,2,0,0,0,0|1,0,0]=3 997 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1Br CL9353 [0,2,0,0,0,0|1,0,1]=4 998 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1Cl 27932 [0,2,0,0,0,0|1,0,1]=4 999 B11R1.159 NC1=CC=CC([N+](=O)[O-])=C1O 36140 [0,2,0,0,0,0|1,0,1]=4 1000 B11R1.159 O=C(O)C1=C(Br)C(Br)=NC=C1 W17140 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 30916 [0,2,0,0,0,0|1,0,0]=3 1002 B11R1.159 O=C(O)C1=CC=CC(=O)N1O 36408 [0,2,0,0,0,0|1,0,0]=3 1003 B11R1.159 O=C(O)C1=CC=CC(=S)N1O W11623 [0,2,0,0,0,0|1,0,0]=3 1004 B11R1.159 O=C(O)C1=CC=CC(O)=C1Cl CL9330 [0,2,0,0,0,0|0,0,0]=2 1005 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1Br C13624 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.159 O=C(O)C1=CN=CC(Br)=C1I H10040 [0,2,0,0,0,0|1,0,0]=3 1007 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O Y10035 [0,2,0,0,0,0|1,0,0]=3 1008 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O O11379 [0,2,0,0,0,0|1,0,0]=3 1009 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F S10232 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.159 O=[N+]([O-])C1=CC=CC(Cl)=C1I 69691 [0,2,0,0,0,0|1,0,1]=4 1011 B11R1.159 O=[N+]([O-])C1=CC=CC(O)=C1F 80824 [0,2,0,0,0,0|1,0,1]=4 1012 B11R1.159 OB(O)C1=CC=CC(Br)=C1Cl N12989 [0,2,0,0,0,0|1,0,1]=4 1013 B11R1.159 OB(O)C1=CC=CC(Cl)=C1O D71389 [0,2,0,0,0,0|1,0,1]=4 1014 B11R1.159 OB(O)C1=CC=CC(F)=C1Br A51222 [0,2,0,0,0,0|1,0,1]=4 1015 B11R1.167 CC(=O)C1=C(Br)C=CC(C)=C1 24153 [0,2,0,0,0,0|1,0,0]=3 1016 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=N1 33205 [0,2,0,0,0,0|2,0,0]=4 1017 B11R1.167 CC(=O)C1=C(Br)C=CC(O)=C1 72605 [0,2,0,0,0,0|1,0,0]=3 1018 B11R1.167 CC(=O)C1=C(Br)C=NC(Cl)=C1 79385 [0,2,0,0,0,0|2,0,0]=4 1019 B11R1.167 CC(=O)C1=C(C)C=CC(O)=C1 N14343 [0,2,0,0,0,0|1,0,0]=3 1020 B11R1.167 CC(=O)C1=C(Cl)C=CC(N)=C1 AC8788 [0,2,0,0,0,0|1,0,0]=3 1021 B11R1.167 CC(=O)C1=C(Cl)C=CC(O)=C1 98261 [0,2,0,0,0,0|1,0,0]=3 1022 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 52903 [0,2,0,0,0,0|1,0,0]=3 1023 B11R1.167 CC(=O)C1=CC(Br)=CN=C1C C72029 [0,2,0,0,0,0|2,0,0]=4 1024 B11R1.167 CC(=O)C1=CC(C)=CN=C1Cl D82211 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.167 CC1=C(C(=O)O)C=C(N)C=N1 D94837 [0,2,0,0,0,0|1,0,0]=3 1026 B11R1.167 CC1=C(C(=O)O)N=C(Br)C=C1 P16139 [0,2,0,0,0,0|1,0,0]=3 1027 B11R1.167 CC1=CC(B(O)O)=C(O)C=C1 F16104 [0,2,0,0,0,0|1,0,1]=4 1028 B11R1.167 CC1=CC(C(=O)O)=C(C)C=N1 P18651 [0,2,0,0,0,0|1,0,0]=3 1029 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=N1 C71246 [0,2,0,0,0,0|1,0,0]=3 1030 B11R1.167 CC1=CC(C(=O)O)=C(F)C=N1 W16972 [0,2,0,0,0,0|1,0,0]=3 1031 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 37636 [0,2,0,0,0,0|1,0,0]=3 1032 B11R1.167 CC1=CC(C(=O)O)=C(N)C=N1 C76925 [0,2,0,0,0,0|1,0,0]=3 1033 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 C75497 [0,2,0,0,0,0|1,0,0]=3 1034 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 O10927 [0,2,0,0,0,0|1,0,0]=3 1035 B11R1.167 CC1=CC=C(N)C(C(=O)O)=N1 68795 [0,2,0,0,0,0|1,0,0]=3 1036 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 C72632 [0,2,0,0,0,0|1,0,0]=3 1037 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [0,2,0,0,0,0|2,0,0]=4 1038 B11R1.167 CC1=CN=C(Cl)C(C(=O)O)=C1 26345 [0,2,0,0,0,0|1,0,0]=3 1039 B11R1.167 CC1=CN=C(F)C(C(=O)O)=C1 C71175 [0,2,0,0,0,0|1,0,0]=3 1040 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=C1 Y10194 [0,2,0,0,0,0|1,0,0]=3 1041 B11R1.167 CC1=NC(C(=O)O)=C(Br)C=N1 66252 [0,2,0,0,0,0|2,0,0]=4 1042 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=C1 P18650 [0,2,0,0,0,0|1,0,0]=3 1043 B11R1.167 CC1=NC=C(Cl)C=C1C(=O)O I11983 [0,2,0,0,0,0|1,0,0]=3 1044 B11R1.167 CC1=NNC(=O)C(C(=O)O)=C1 94812 [0,2,0,0,0,0|2,0,0]=4 1045 B11R1.167 CN1C=CC(=O)C=C1C(=O)O W19341 [0,2,0,0,0,0|1,0,0]=3 1046 B11R1.167 C[C@H](O)C1=C(I)C=CC(F)=C1 C91309 [0,2,0,0,0,0|1,0,1]=4 1047 B11R1.167 N=C(N)C1=C(F)C=CC(Br)=C1 D83462 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.167 N=C(N)C1=C(F)C=CC(Cl)=C1 C90520 [0,2,0,0,0,0|2,0,0]=4 1049 B11R1.167 NC(=O)C1=C(N)C=CC(Br)=N1 F30972 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.167 NC(=O)C1=CC(Br)=NC=C1F C73428 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1N D79795 [0,2,0,0,0,0|2,0,0]=4 1052 B11R1.167 NC(=O)C1=CC(F)=CNC1=O D83259 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.167 NC1=C(C(=O)O)N=C(Br)C=C1 F31145 [0,2,0,0,0,0|1,0,0]=3 1054 B11R1.167 NC1=C(C(=O)O)N=C(Cl)N=C1 W17978 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.167 NC1=C(C(=O)O)N=C(I)C=N1 75748 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.167 NC1=CC(C(=O)O)=C(N)C=C1 F52721 [0,2,0,0,0,0|0,0,0]=2 1057 B11R1.167 NC1=CN=C(Cl)C(C(=O)O)=C1 37564 [0,2,0,0,0,0|1,0,0]=3 1058 B11R1.167 NC1=CN=C(F)C=C1C(=O)O 71434 [0,2,0,0,0,0|1,0,0]=3 1059 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=C1 F31274 [0,2,0,0,0,0|1,0,0]=3 1060 B11R1.167 NC1=NC(C(=O)O)=C(Br)C=N1 C77121 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 C15823 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.167 NC1=NC(C(=O)O)=C(Cl)C=N1 FD13030 [0,2,0,0,0,0|2,0,0]=4 1063 B11R1.167 NC1=NC=C(F)C=C1C(=O)O P15966 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.167 O=C(Cl)C1=C(O)C=CC(Cl)=C1 W16064 [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.167 O=C(O)C1=C(Br)C=CC(F)=N1 80162 [0,2,0,0,0,0|1,0,0]=3 1066 B11R1.167 O=C(O)C1=C(Br)C=NC(F)=C1 F31180 [0,2,0,0,0,0|1,0,0]=3 1067 B11R1.167 O=C(O)C1=C(Cl)C=CC(O)=N1 O10988 [0,2,0,0,0,0|1,0,0]=3 1068 B11R1.167 O=C(O)C1=C(F)C=CC(Br)=N1 85645 [0,2,0,0,0,0|1,0,0]=3 1069 B11R1.167 O=C(O)C1=C(I)C=CC(O)=C1 69861 [0,2,0,0,0,0|0,0,0]=2 1070 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=N1 26690 [0,2,0,0,0,0|1,0,0]=3 1071 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=N1 C10999 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl 22950 [0,2,0,0,0,0|1,0,0]=3 1073 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1O A10724 [0,2,0,0,0,0|1,0,0]=3 1074 B11R1.167 O=C(O)C1=CC(F)=CN=C1Br 24198 [0,2,0,0,0,0|1,0,0]=3 1075 B11R1.167 O=C(O)C1=CC(F)=CN=C1F AT10057 [0,2,0,0,0,0|1,0,0]=3 1076 B11R1.167 O=C(O)C1=CC(F)=CN=C1O A12916 [0,2,0,0,0,0|1,0,0]=3 1077 B11R1.167 O=C(O)C1=CC(O)=CN=C1Cl F13413 [0,2,0,0,0,0|1,0,0]=3 1078 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Br 36554 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1Cl N13216 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 54617 [0,2,0,0,0,0|1,0,0]=3 1081 B11R1.167 OB(O)C1=C(Cl)C=CC(Br)=C1 F11380 [0,2,0,0,0,0|1,0,1]=4 1082 B11R1.167 OB(O)C1=C(Cl)C=CC(O)=C1 C16692 [0,2,0,0,0,0|1,0,1]=4 1083 B11R1.167 OB(O)C1=C(F)C=CC(O)=C1 N12235 [0,2,0,0,0,0|1,0,1]=4 1084 B11R1.74 CC(=O)C1=CC(C)=CC(Br)=C1 CL9440 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.74 CC(=O)C1=CC(Cl)=NC(C)=C1 90620 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.74 CC(=O)C1=CC(Cl)=NC(Cl)=C1 72212 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.74 CC(=O)C1=CC(I)=CC(Br)=C1 D93344 [0,2,0,0,0,0|1,0,0]=3 1088 B11R1.74 CC(=O)C1=CC(O)=CC(C)=C1 98263 [0,2,0,0,0,0|1,0,0]=3 1089 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 N10847 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.74 CC1=CC(Br)=CC(C(=O)O)=N1 D95055 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=N1 90621 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.74 CC1=CC(C(=O)O)=CC(C)=N1 85554 [0,2,0,0,0,0|1,0,0]=3 1093 B11R1.74 CC1=CC(C(=O)O)=CC(N)=C1 34945 [0,2,0,0,0,0|0,0,0]=2 1094 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 96460 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 C73547 [0,2,0,0,0,0|1,0,0]=3 1096 B11R1.74 CC1=CC(I)=CC(C(=O)O)=C1 C77507 [0,2,0,0,0,0|0,0,0]=2 1097 B11R1.74 CC1=CC([N+](=O)[O-])=CC(O)=C1 29785 [0,2,0,0,0,0|1,0,1]=4 1098 B11R1.74 CC1=NC(C(=O)O)=CC(=O)N1 75580 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.74 CC1=NC(Cl)=NC(C(=O)O)=C1 W15432 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 BL002354 [0,2,0,0,0,0|2,0,0]=4 1101 B11R1.74 NC(=O)C1=CC(Cl)=CC(Cl)=N1 D78983 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.74 NC1=CC(C(=O)O)=CC(Cl)=N1 Y14716 [0,2,0,0,0,0|1,0,0]=3 1103 B11R1.74 NC1=CC(N)=CC([N+](=O)[O-])=C1 C75359 [0,2,0,0,0,0|1,0,1]=4 1104 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=N1 O11188 [0,2,0,0,0,0|1,0,0]=3 1105 B11R1.74 O=C(O)C1=CC(Br)=NC(F)=C1 70340 [0,2,0,0,0,0|1,0,0]=3 1106 B11R1.74 O=C(O)C1=CC(Cl)=CC(Br)=N1 C71247 [0,2,0,0,0,0|1,0,0]=3 1107 B11R1.74 O=C(O)C1=CC(Cl)=NC(O)=C1 RB1152 [0,2,0,0,0,0|1,0,0]=3 1108 B11R1.74 O=C(O)C1=CC(O)=CC(Br)=N1 F53706 [0,2,0,0,0,0|1,0,0]=3 1109 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 F19693 [0,2,0,0,0,0|2,0,0]=4 1110 B11R1.74 O=[N+]([O-])C1=CC(F)=CC(O)=C1 61010 [0,2,0,0,0,0|1,0,1]=4 1111 B11R1.74 O=[N+]([O-])C1=CC(I)=CC(Br)=C1 75185 [0,2,0,0,0,0|1,0,1]=4 1112 B11R1.74 O=[N+]([O-])C1=CC(I)=CC(Cl)=C1 C71906 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.74 O=[N+]([O-])C1=CC(I)=CC(I)=C1 N11815 [0,2,0,0,0,0|1,0,1]=4 1114 B11R1.74 OB(O)C1=CC(Cl)=CC(O)=C1 N12674 [0,2,0,0,0,0|1,0,1]=4 1115 B11R1.74 OB(O)C1=CC(F)=CC(O)=C1 86196 [0,2,0,0,0,0|1,0,1]=4 1116 B11R1.266 C#CC1=CC=CC(B(O)O)=C1 38142 [0,2,0,0,0,0|1,0,1]=4 1117 B11R1.266 C=CC1=CC=CC(C(=O)O)=C1 F16168 [0,2,0,0,0,0|0,0,0]=2 1118 B11R1.266 CC(=O)C1=CC(C#N)=NC=C1 29163 [0,2,0,0,0,0|2,0,0]=4 1119 B11R1.266 CC(=O)C1=NC(C#N)=CC=C1 C73010 [0,2,0,0,0,0|2,0,0]=4 1120 B11R1.266 CC(=O)C1=NC(CO)=CC=C1 58596 [0,2,0,0,0,0|2,0,0]=4 1121 B11R1.266 CCC1=CC(C(=O)O)=NC=C1 FD10613 [0,2,0,0,0,0|1,0,0]=3 1122 B11R1.266 CCC1=CC=CC(B(O)O)=C1 35669 [0,2,0,0,0,0|1,0,1]=4 1123 B11R1.266 CCC1=CC=CC(C(=O)O)=C1 C13682 [0,2,0,0,0,0|0,0,0]=2 1124 B11R1.266 CCC1=CC=CC([N+](=O)[O-])=C1 C76351 [0,2,0,0,0,0|1,0,1]=4 1125 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 O11509 [0,2,0,0,0,0|1,0,0]=3 1126 B11R1.266 CNC1=CC=CC([N+](=O)[O-])=C1 21307 [0,2,0,0,0,0|1,0,1]=4 1127 B11R1.266 COC1=CC(C(=O)O)=CN=N1 P13867 [0,2,0,0,0,0|2,0,0]=4 1128 B11R1.266 COC1=CC(C(=O)O)=NC=N1 P10129 [0,2,0,0,0,0|2,0,0]=4 1129 B11R1.266 COC1=CC(C(C)=O)=NC=C1 52385 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.266 COC1=CC=CC(C(N)=O)=N1 C77359 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.266 COC1=CN=CC(C(=O)O)=N1 26232 [0,2,0,0,0,0|2,0,0]=4 1132 B11R1.266 COC1=NC=CC(C(=O)O)=N1 C76423 [0,2,0,0,0,0|2,0,0]=4 1133 B11R1.266 COC1=NC=CC(C(C)=O)=C1 29192 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.266 CSC1=NC(C(=O)O)=CC=N1 24986 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 O11586 [0,2,0,0,0,0|1,0,0]=3 1136 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 C77669 [0,2,0,0,0,0|1,0,0]=3 1137 B11R1.266 N#CC1=CC=CC(C(N)=O)=N1 A10044 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.266 N#CC1=NC=CC(C(=O)O)=N1 AT19519 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.266 NC(=O)C1=CC(CO)=CC=C1 W12789 [0,2,0,0,0,0|1,0,0]=3 1140 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 35878 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.266 O=C(O)C1=CC(CO)=CC=C1 AB9436 [0,2,0,0,0,0|0,0,0]=2 1142 B11R1.266 O=C(O)C1=CC(CO)=NC=C1 A10630 [0,2,0,0,0,0|1,0,0]=3 1143 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 N13223 [0,2,0,0,0,0|1,0,0]=3 1144 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 36339 [0,2,0,0,0,0|1,0,0]=3 1145 B9R1.13 O=C(O)CC1=CC=CN1 29609 [0,0,1,1,0,0|1,0,1]=4 1146 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [0,0,1,1,0,0|1,0,1]=4 1147 B9R1.13 O=C(O)CC1=CCC=C1 78226 [0,0,1,1,0,0|0,0,2]=4 1148 B9R1.13 O=C(O)CC1=CNC=C1 65416 [0,0,1,1,0,0|1,0,1]=4 1149 B9R1.5 NC1=CC=CC=CC1=O F11661 [0,0,1,1,0,0|2,0,0]=4 1150 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [0,0,0,1,0,1|1,0,1]=4 1151 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 30106 [0,0,0,1,0,1|1,0,0]=3 1152 B11R2.10 CC1=CC2=C(C=CC=C2)O1 F11695 [0,0,0,1,0,1|1,0,0]=3 1153 B11R2.10 CC1=NC2=C(C=CN=C2)O1 F13462 [0,0,0,1,0,1|2,0,0]=4 1154 B11R2.10 CC1=NC2=CC=CN=C2O1 AC1641 [0,0,0,1,0,1|2,0,0]=4 1155 B11R2.10 ClC1=CC2=C(C=CC=C2)N1 F11679 [0,0,0,1,0,1|2,0,0]=4 1156 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C73480 [0,0,0,1,0,1|2,0,0]=4 1157 B11R2.10 IC1=CC2=C(C=CC=C2)N1 F18254 [0,0,0,1,0,1|2,0,0]=4 1158 B11R2.10 IC1=CC2=C(C=CC=C2)O1 D83864 [0,0,0,1,0,1|1,0,0]=3 1159 B11R2.10 IC1=CC2=C(C=CC=C2)S1 F13439 [0,0,0,1,0,1|1,1,0]=4 1160 B11R2.10 NC1=CC2=C(C=CC=C2)S1 27373 [0,0,0,1,0,1|1,1,0]=4 1161 B11R2.10 NC1=NC2=C(C=CN=C2)O1 36483 [0,0,0,1,0,1|2,0,0]=4 1162 B11R2.10 NC1=NC2=CC=CN=C2O1 F13374 [0,0,0,1,0,1|2,0,0]=4 1163 B11R2.10 O=C1CC2=C(C=CN=C2)N1 86499 [0,0,0,1,0,1|2,0,0]=4 1164 B11R2.10 O=C1CN2C=CC=CC2=N1 78878 [0,0,0,1,0,1|2,0,0]=4 1165 B11R2.10 O=C1NC2=C(C=CN=C2)O1 AC6441 [0,0,0,1,0,1|1,0,0]=3 1166 B11R2.10 O=C1NC2=C(C=NC=C2)O1 O12039 [0,0,0,1,0,1|1,0,0]=3 1167 B11R2.10 O=C1NC2=C(N=CC=C2)O1 O12038 [0,0,0,1,0,1|1,0,0]=3 1168 B11R2.10 OC1=CN2C=CC=CC2=N1 36322 [0,0,0,1,0,1|2,0,0]=4 1169 B11R2.10 OC1=NN2C=CC=CC2=C1 82700 [0,0,0,1,0,1|2,0,0]=4 1170 B11R2.10 S=C1NC2=C(C=CN=C2)O1 AC2527 [0,0,0,1,0,1|1,1,0]=4 1171 B11R2.10 S=C1NC2=C(N=CC=C2)O1 AC7981 [0,0,0,1,0,1|1,1,0]=4 1172 B11R2.1 BrC1=COC2=C1C=CC=N2 D82844 [0,1,0,1,0,0|2,0,0]=4 1173 B11R2.1 BrC1=NSC2=C1C=CC=C2 D84733 [0,1,0,1,0,0|1,1,0]=4 1174 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [0,1,0,1,0,0|2,0,0]=4 1175 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [0,1,0,1,0,0|2,0,0]=4 1176 B11R2.1 ClC1=COC2=C1C=CC=C2 F14423 [0,1,0,1,0,0|1,0,0]=3 1177 B11R2.1 ClC1=NOC2=CC=CN=C21 C73392 [0,1,0,1,0,0|2,0,0]=4 1178 B11R2.1 FC1=NNC2=C1C=CC=C2 F30837 [0,1,0,1,0,0|2,0,0]=4 1179 B11R2.1 NC1=CNC2=C1C=CC=C2 51896 [0,1,0,1,0,0|2,0,0]=4 1180 B11R2.1 NC1=CSC2=C1C=CC=C2 25380 [0,1,0,1,0,0|1,1,0]=4 1181 B11R2.1 NC1=NCC2=C1C=CC=C2 32182 [0,1,0,1,0,0|2,0,0]=4 1182 B11R2.1 NC1=NOC2=C1C=CN=C2 C71454 [0,1,0,1,0,0|2,0,0]=4 1183 B11R2.1 NC1=NOC2=C1C=NC=C2 A50063 [0,1,0,1,0,0|2,0,0]=4 1184 B11R2.1 O=C1C=CC2=C1C=CC=C2 O10409 [0,1,0,1,0,0|1,0,0]=3 1185 B11R2.1 O=C1CCC2=C1C=CN=C2 67473 [0,1,0,1,0,0|2,0,0]=4 1186 B11R2.1 O=C1CCC2=C1C=NC=C2 P10633 [0,1,0,1,0,0|2,0,0]=4 1187 B11R2.1 O=C1COC2=C1C=CN=C2 65977 [0,1,0,1,0,0|1,0,0]=3 1188 B11R2.1 O=C1COC2=C1C=CN=C2 W17205 [0,1,0,1,0,0|1,0,0]=3 1189 B11R2.1 O=C1CSC2=C1C=CC=C2 26760 [0,1,0,1,0,0|0,1,0]=3 1190 B11R2.1 O=C1NCC2=C1C=CC=N2 84460 [0,1,0,1,0,0|2,0,0]=4 1191 B11R2.1 O=C1NCC2=C1C=CN=C2 F19961 [0,1,0,1,0,0|2,0,0]=4 1192 B11R2.1 O=C1NCC2=C1C=NC=C2 37545 [0,1,0,1,0,0|2,0,0]=4 1193 B11R2.1 O=C1NCC2=CC=CN=C12 87908 [0,1,0,1,0,0|2,0,0]=4 1194 B11R2.1 O=C1NNC2=C1C=CC=N2 36117 [0,1,0,1,0,0|2,0,0]=4 1195 B11R2.1 O=C1NNC2=C1C=CN=C2 F50508 [0,1,0,1,0,0|2,0,0]=4 1196 B11R2.1 O=C1NNC2=CC=CN=C12 36532 [0,1,0,1,0,0|2,0,0]=4 1197 B11R2.1 OC1=NNC2=C1C=CC=C2 C71048 [0,1,0,1,0,0|1,0,0]=3 1198 B11R2.1 OC1=NOC2=NC=CC=C12 A51240 [0,1,0,1,0,0|1,0,1]=4 1199 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [0,1,0,1,0,0|1,0,1]=4 1200 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [0,1,0,1,0,0|1,0,1]=4 1201 B7R1.1 C=CC1=CC=CS1 C10114 [1,0,0,0,1,0|2,0,0]=4 1202 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,0,0,0,1,0|1,0,0]=3 1203 B7R1.1 O=CC1=CC=NS1 62852 [1,0,0,0,1,0|2,0,0]=4 1204 B7R1.1 O=CC1=CCC=C1 77835 [1,0,0,0,1,0|0,0,1]=3 1205 B7R1.1 O=CC1=CN=CO1 39069 [1,0,0,0,1,0|2,0,0]=4 1206 B7R1.1 O=CC1=CON=C1 95893 [1,0,0,0,1,0|2,0,0]=4 1207 B7R1.1 O=CC1=NOC=C1 P10400 [1,0,0,0,1,0|2,0,0]=4 1208 B7R1.18 O=C(O)C1=CCC1 P16818 [0,0,0,0,2,0|0,0,2]=4 1209 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [0,0,0,0,0,2|1,0,0]=3 1210 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [0,0,0,0,0,2|2,0,0]=4 1211 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [0,0,0,0,0,2|2,0,0]=4 1212 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [0,0,0,0,0,2|1,0,0]=3 1213 B11R1.91 O=C(O)C#CC1=CC=NC=C1 AC1699 [0,0,0,0,0,2|1,0,0]=3 1214 B11R1.91 O=C(O)C#CC1=CN=CC=C1 O10892 [0,0,0,0,0,2|1,0,0]=3 1215 B11R1.91 O=C(O)C#CC1=NC=CC=C1 W11288 [0,0,0,0,0,2|1,0,0]=3 1216 B11R1.91 O=C(O)CCC1=CN=CN=C1 72064 [0,0,0,0,0,2|2,0,0]=4 1217 B11R1.91 O=C(O)CCC1=CN=NC=C1 P17753 [0,0,0,0,0,2|2,0,0]=4 1218 B11R1.91 O=C(O)CNC1=CC=NC=C1 CS1833 [0,0,0,0,0,2|1,0,0]=3 1219 B11R1.91 O=C(O)COC1=CC=NC=C1 C75738 [0,0,0,0,0,2|1,0,0]=3 1220 B11R1.91 O=C(O)COC1=NC=CC=C1 SC3951 [0,0,0,0,0,2|1,0,0]=3 1221 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 P18972 [0,0,0,0,0,2|2,0,0]=4 1222 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 W18616 [0,0,0,0,0,2|2,0,0]=4 1223 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [0,0,0,0,0,2|0,0,1]=3 1224 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [0,0,0,0,0,2|1,0,1]=4 1225 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 D70623 [0,0,0,0,0,2|1,0,1]=4