0 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 CS-0102088 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.22 COC(=O)C1=CC=C(S)C=C1 CS-0037057 [0,0,0,0,0,0|0,1,0]=1 2 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS-W018560 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS-W005768 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.22 COC(=O)C1=CNC(=O)N=C1 CS-0045841 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 CS-0036347 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS-B0937 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.22 COC(=O)C1=NC=C(O)C=N1 CS-0056562 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.22 C\C(=N\O)C1=CC=C(Cl)C=C1 CS-M3526 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS-W009051 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 CS-W020378 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 CS-W017674 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.1 O\N=C\C1=CC=C(F)C=C1 CS-B1571 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS-W019730 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.13 CC(=O)C1=CC=C(C)N=C1 CS-B0461 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS-0040244 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS-W018594 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.13 CC(=O)C1=NC=C(O)C=C1 CS-W021245 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 CS-0000299 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 CS-M1249 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS-W008333 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS-W008911 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 CS-D0020 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 CS-0039205 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 CS-W022338 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 O=C(O)C1=CC=C(F)N=C1 CS-W019722 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS-D0613 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 CS-W005777 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS-W008847 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.13 [C@@H](C)(O)C1=CC=C(Br)C=C1 CS-W015566 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.15 CCC(=O)C1=NC=CC=N1 CS-0054932 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 CS-0035755 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.5 COC(=O)C1=CC=C(C=O)N=C1 CS-D0517 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.5 COC(=O)C1=CC=C(OC)C=N1 CS-0048973 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 CS-0012617 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.5 COC(=O)C1=NC=C(C#N)C=C1 CS-0047189 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.5 COC(=O)C1=NN=C(OC)C=C1 CS-0097489 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.16 CCOC(=O)C1=CC=C(Br)N=C1 CS-W022712 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 CS-0045763 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 CS-W013078 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.20 CC(Br)C(=O)C1=CC=C(O)C=C1 CS-0105639 [0,1,0,0,0,0|1,0,0]=2 42 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS-0038382 [0,1,0,0,0,0|3,0,0]=4 43 B12R1.20 O=C(O)C(=O)C1=CC=C(F)C=C1 CS-0102796 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 CS-W005030 [0,1,0,0,0,0|1,0,0]=2 45 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 CS-W012965 [0,1,0,0,0,0|1,0,0]=2 46 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 CS-0061828 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.367 COC(=O)C1=CC(C)=C(F)N=C1 CS-0038004 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 CS-WAA0049 [0,1,0,0,0,0|2,0,0]=3 49 B12R1.367 COC(=O)C1=CC(F)=C(O)C=C1 CS-W005048 [0,1,0,0,0,0|0,0,0]=1 50 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 CS-0082262 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 CS-W004909 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.367 COC(=O)C1=CC(O)=C(N)N=C1 CS-0103307 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.367 COC(=O)C1=CC=C(Br)C(C)=C1 CS-W008076 [0,1,0,0,0,0|1,0,0]=2 54 B12R1.367 COC(=O)C1=CC=C(C)C(F)=C1 CS-W022829 [0,1,0,0,0,0|1,0,0]=2 55 B12R1.367 COC(=O)C1=CC=C(F)C(I)=C1 CS-0105536 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.367 COC(=O)C1=CC=C(I)C(C)=C1 CS-W008413 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=N1 CS-W019404 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 CS-M1520 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 CS-0040505 [0,1,0,0,0,0|2,0,0]=3 60 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 CS-0041783 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=N1 CS-0046913 [0,1,0,0,0,0|2,0,0]=3 62 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 CS-W004728 [0,1,0,0,0,0|1,0,0]=2 63 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 CS-W004770 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)N=C1 CS-0044525 [0,1,0,0,0,0|2,0,0]=3 65 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=C1 CS-0037235 [0,1,0,0,0,0|2,0,0]=3 66 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 CS-W004803 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1I CS-0101592 [0,1,0,0,0,0|1,0,0]=2 68 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N CS-0028743 [0,1,0,0,0,0|1,0,0]=2 69 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1F CS-0065296 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1I CS-0041112 [0,1,0,0,0,0|1,0,0]=2 71 B12R1.1703 COC(=O)C1=CC=C(I)C=C1Cl CS-0094435 [0,1,0,0,0,0|1,0,0]=2 72 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl CS-W022874 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.1703 COC(=O)C1=NC=C(Cl)N=C1Cl CS-W018673 [0,1,0,0,0,0|3,0,0]=4 74 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 CS-M0784 [0,1,0,0,0,0|3,0,0]=4 75 B12R2.612 CC1=NNC2=C1C=CC(O)=C2 CS-W006810 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.612 O=C1C=CC2=C(CCC2=O)N1 CS-0099235 [0,0,0,1,0,0|2,0,1]=4 77 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS-W008687 [0,0,0,1,0,0|2,0,0]=3 78 B12R2.612 O=C1CCC2=NC(Br)=CC=C12 CS-0044389 [0,0,0,1,0,0|3,0,0]=4 79 B12R2.612 O=C1N=CC2=CC(O)=CC=C12 CS-W006098 [0,0,0,1,0,0|1,0,1]=3 80 B12R2.612 O=C1NOC2=C1C=CC(Br)=C2 CS-0085269 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.612 O=C1NOC2=C1C=CC(Cl)=C2 CS-0063922 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 CS-0028396 [0,0,0,1,0,0|0,0,0]=1 83 B10R1.14 COC(=O)C1=CC(C)=NO1 CS-0035753 [0,0,0,0,1,0|3,0,0]=4 84 B10R1.14 COC(=O)C1=CC(I)=CN1 CS-0007661 [0,0,0,0,1,0|2,0,0]=3 85 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS-W006646 [0,0,0,0,1,0|2,0,0]=3 86 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS-B0140 [0,0,0,0,1,0|2,0,0]=3 87 B10R1.14 COC(=O)C1=CC=C(N)S1 CS-W005967 [0,0,0,0,1,0|2,0,0]=3 88 B10R1.14 COC(=O)C1=CN=C(N)S1 CS-W019982 [0,0,0,0,1,0|3,0,0]=4 89 B10R1.14 COC(=O)C1=CNC(=O)N1 CS-0098094 [0,0,0,0,1,0|2,0,1]=4 90 B10R1.14 COC(=O)C1=COC(Br)=N1 CS-0042753 [0,0,0,0,1,0|3,0,0]=4 91 B10R1.14 COC(=O)C1=CSC(Br)=C1 CS-W006344 [0,0,0,0,1,0|2,0,0]=3 92 B10R1.14 COC(=O)C1=NC(Br)=CS1 CS-0036359 [0,0,0,0,1,0|3,0,0]=4 93 B10R1.14 COC(=O)C1=NC=C(Br)S1 CS-0044372 [0,0,0,0,1,0|3,0,0]=4 94 B10R1.14 COC(=O)C1=NNC(Br)=C1 CS-W018564 [0,0,0,0,1,0|3,0,0]=4 95 B10R1.14 COC(=O)C1=NOC(N)=C1 CS-0058753 [0,0,0,0,1,0|3,0,0]=4 96 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 CS-B0171 [0,0,0,0,0,1|1,0,0]=2 97 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 CS-W005153 [0,0,0,0,0,1|2,0,0]=3 98 B12R1.49 COC(=O)CC1=NC=C(O)C=N1 CS-0037240 [0,0,0,0,0,1|2,0,0]=3 99 B12R1.49 N=C(CC1=CC=C(O)C=C1)NO CS-0037137 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.1 CNC1=CC=C(Br)C=C1 CS-0038061 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.1 COC1=CN=C(Br)C=C1 CS-D1766 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 COC1=CN=C(Cl)C=C1 CS-W005142 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.1 COC1=CN=C(F)C=C1 CS-W021695 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.1 O=CC1=NC=C(Br)C=C1 CS-D0959 [2,0,0,0,0,0|2,0,0]=4 105 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [2,0,0,0,0,0|1,0,1]=4 106 B9R1.6 CC(=O)C1=CN=CN=C1 CS-D0295 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.6 CC(=O)C1=NC=NC=C1 CS-0005388 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.6 NC(=O)C1=NC=CC=C1 CS-0020700 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.6 O=C(O)C1=CN=CN=C1 CS-B0029 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.6 O=C([O-])C1=CC=CC=C1 CS-0013645 [2,0,0,0,0,0|0,0,1]=3 111 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 CS-B0170 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.83 COC1=CC=C(CON)C=C1 CS-W005477 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.3 COC1=CC=C(S(C)=O)C=C1 CS-0046999 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 CS-W019916 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.3 COC1=CN=C(C(=O)O)N=C1 CS-0036848 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.3 CS(=O)C1=CC=C(C#N)C=C1 CS-0079978 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.3 C[C@@H](N)C1=CC=C(CO)C=C1 CS-D0215 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.3 N#CC1=CC=C(C(=O)O)N=C1 CS-W016339 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 CS-0047067 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 CS-W022928 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-0084282 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-M2553 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-WAA0210 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS-WAA0255 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.19 CP(C)(=O)C1=CC=C(Br)C=C1 CS-0068255 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 CS-0047355 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 CS-W004825 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.19 O=S(=O)(Cl)C1=CC=C(O)C=C1 CS-0088970 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.21 CC(=O)C1=CC(Cl)=C(C)C=C1 CS-0032914 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.21 CC(=O)C1=CC(F)=C(Cl)C=C1 CS-W017576 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.21 CC(=O)C1=CC=C(I)C(Br)=C1 CS-0098682 [1,1,0,0,0,0|1,0,0]=3 132 B11R1.21 CC(=O)C1=CC=C(O)C(O)=C1 CS-W008953 [1,1,0,0,0,0|0,0,0]=2 133 B11R1.21 CC(=O)C1=NC=C(Br)C(C)=C1 CS-0102116 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.21 CC1=CC(C(=O)O)=CC=C1Cl CS-W017676 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.21 CC1=CN=C(C(=O)O)C=C1F CS-0094255 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 CS-W007229 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 CS-W005466 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.21 O=C(O)C1=CC=C(I)C(Cl)=C1 CS-0041182 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.21 O=C(O)C1=CC=C(O)C(Cl)=C1 CS-0063147 [1,1,0,0,0,0|0,0,0]=2 140 B11R1.21 O=C(O)C1=CC=C(O)C(F)=C1 CS-W008917 [1,1,0,0,0,0|0,0,0]=2 141 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS-B0745 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS-W009205 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS-W018684 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.21 O=N(=O)C1=CC(Br)=C(O)C=C1 CS-W007908 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.21 OB(O)C1=CC(F)=C(O)C=C1 CS-W013287 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 CS-W004840 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS-W020416 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.166 CC(=O)C1=C(N)C=C(Br)C=C1 CS-W006736 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 CS-W007177 [1,1,0,0,0,0|1,0,0]=3 150 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br CS-0031408 [1,1,0,0,0,0|0,0,0]=2 151 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 CS-W006084 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS-W008011 [1,1,0,0,0,0|1,0,0]=3 153 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O CS-W007037 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.166 CC1=CC(N)=NC=C1C(=O)O CS-0005496 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 CS-0038247 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.166 CC1=NC(F)=CC=C1C(=O)O CS-W022498 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.166 CC1=NC(N)=C(C(=O)O)C=C1 CS-B0703 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 CS-W005731 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 CS-W007847 [1,1,0,0,0,0|1,0,0]=3 160 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 CS-W017585 [1,1,0,0,0,0|0,0,0]=2 161 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=N1 CS-W005596 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.166 O=C(O)C1=C(F)C=C(F)C=N1 CS-W007725 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 CS-W022476 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.166 O=C(O)C1=CC=C(F)N=C1Cl CS-0030261 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Br CS-0041697 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl CS-0079379 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.166 O=C(O)C1=NN=C(O)C=C1O CS-0047274 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1Br CS-W003684 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.16 O=C(OCCl)C1=CC=CC=C1 CS-W004798 [1,1,0,0,0,0|0,0,0]=2 170 B11R1.23 CCC(=O)C1=NC(Br)=CC=C1 CS-0059800 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.23 CNC(=O)C1=CC=CC(Br)=C1 CS-W020621 [1,1,0,0,0,0|1,0,0]=3 172 B11R1.23 COC(=O)C1=CC(C)=CN=C1 CS-W019377 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.23 COC(=O)C1=CC(F)=CN=C1 CS-0043948 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.23 COC(=O)C1=CC(O)=CN=C1 CS-0044458 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.23 COC(=O)C1=CC(O)=NN=C1 CS-0061835 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.23 COC(=O)C1=CC(S)=CC=C1 CS-M0304 [1,1,0,0,0,0|0,0,0]=2 177 B11R1.23 COC(=O)C1=CC=CC(N)=C1 CS-W018124 [1,1,0,0,0,0|0,0,0]=2 178 B11R1.23 COC(=O)C1=NC(=O)NC=C1 CS-0040216 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS-W018602 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.23 COC(=O)C1=NC(I)=CN=C1 CS-0097624 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS-0045769 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.23 COC(=O)C1=NC(O)=CC=C1 CS-W005400 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.23 COC(=O)C1=NC=CC(O)=C1 CS-0040761 [1,1,0,0,0,0|1,0,0]=3 184 B11R1.23 NCC(=O)C1=CC=CC(Br)=C1 CS-0037552 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS-W008243 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.222 CC1=CC=CC=C1C(=O)CBr CS-0029521 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.222 CNC(=O)C1=CC=CC=C1N CS-W004940 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.222 COC(=O)C1=C(C)C=CC=N1 CS-W008502 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.222 COC(=O)C1=C(O)N=CC=C1 CS-W007840 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.222 COC(=O)C1=CC=CN=C1N CS-M1170 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.222 COC(=O)C1=NC=CC=C1O CS-W022831 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.222 COC(=O)C1=NC=CN=C1Br CS-D1608 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.222 COC(=O)C1=NC=CN=C1Cl CS-W019277 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.222 NCC(=O)C1=CC=CC=C1F CS-W021538 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CS-B1329 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.222 O=C(CBr)C1=CC=CC=C1Cl CS-0008415 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.15 CCOC(=O)C1=CC(Br)=CN1 CS-W009320 [0,1,0,0,1,0|2,0,0]=4 198 B11R1.15 CCOC(=O)C1=CC(C)=CN1 CS-W018073 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.15 CCOC(=O)C1=NNC(O)=C1 CS-0062453 [0,1,0,0,1,0|2,0,0]=4 200 B11R1.44 COC(=O)C1=CC(CO)=CN1 CS-0099238 [0,1,0,0,1,0|1,0,0]=3 201 B11R1.225 COC(=O)C1=C(C)C=C(Br)O1 CS-0038467 [0,1,0,0,1,0|2,0,0]=4 202 B11R1.225 COC(=O)C1=C(C)C=C(C)N1 CS-0099240 [0,1,0,0,1,0|2,0,0]=4 203 B11R1.225 COC(=O)C1=C(C)C=C(N)S1 CS-0047261 [0,1,0,0,1,0|2,0,0]=4 204 B11R1.225 COC(=O)C1=C(N)C=C(Br)S1 CS-0041704 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.225 COC(=O)C1=CC(N)=CN1C CS-0099801 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.225 COC(=O)C1=CC(O)=NN1C CS-0047149 [0,1,0,0,1,0|2,0,0]=4 207 B11R1.226 COC(=O)C1=CC(Br)=C(Br)O1 CS-0011220 [0,1,0,0,1,0|2,0,0]=4 208 B11R1.865 COC(=O)C1=CSC(C)=C1N CS-W020376 [0,1,0,0,1,0|2,0,0]=4 209 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=N1 CS-0049532 [0,1,0,0,0,1|2,0,0]=4 210 B13R1.21 COC(=O)C(N)C1=CC=C(Cl)C=C1 CS-0059219 [0,1,0,0,0,1|1,0,0]=3 211 B13R1.21 COC(=O)[C@H](N)C1=CC=C(O)C=C1 CS-W021142 [0,1,0,0,0,1|0,0,0]=2 212 B13R1.2679 COC(=O)CC1=C(F)C=C(O)C=C1 CS-0042606 [0,1,0,0,0,1|0,0,0]=2 213 B13R1.2879 COC(=O)CC1=CC(N)=C(Cl)C=C1 CS-0042534 [0,1,0,0,0,1|1,0,0]=3 214 B13R1.2879 COC(=O)CC1=CC=C(N)C(O)=C1 CS-0102083 [0,1,0,0,0,1|1,0,0]=3 215 B13R1.2879 COC(=O)CC1=CC=C(O)C(C)=C1 CS-W022784 [0,1,0,0,0,1|0,0,0]=2 216 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 CS-W006141 [0,2,0,0,0,0|0,0,1]=3 217 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 CS-W005578 [0,2,0,0,0,0|0,0,0]=2 218 B13R1.95 COC(=O)C1=CC=C(C=O)C=C1Cl CS-0038173 [0,2,0,0,0,0|0,0,1]=3 219 B13R1.95 COC(=O)C1=CN=C(OC)C=C1Cl CS-0102117 [0,2,0,0,0,0|1,0,0]=3 220 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 CS-W007933 [0,2,0,0,0,0|1,0,0]=3 221 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 CS-W022837 [0,2,0,0,0,0|1,0,0]=3 222 B13R1.139 COC(=O)C1=CC=C(NC=O)C=C1 CS-B1229 [0,2,0,0,0,0|0,0,1]=3 223 B13R1.452 C#CC1=CC=C(C(=O)OCC)C=C1 CS-D0535 [0,2,0,0,0,0|1,0,0]=3 224 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 CS-0046895 [0,2,0,0,0,0|1,0,0]=3 225 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 CS-0097281 [0,2,0,0,0,0|0,0,1]=3 226 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 CS-0022216 [0,2,0,0,0,0|1,0,0]=3 227 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 CS-W022716 [0,2,0,0,0,0|2,0,0]=4 228 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 CS-M0170 [0,2,0,0,0,0|0,0,1]=3 229 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 CS-B0181 [0,2,0,0,0,0|1,0,0]=3 230 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 CS-D0445 [0,2,0,0,0,0|1,0,0]=3 231 B13R1.537 COC(=O)C1=CN=C(C(=O)O)C=C1 CS-W004726 [0,2,0,0,0,0|1,0,0]=3 232 B13R1.537 COC(=O)C1=NC=C(B(O)O)C=C1 CS-0082390 [0,2,0,0,0,0|1,0,0]=3 233 B13R1.3088 COC(=O)C1=CC=C(CO)C(Br)=C1 CS-0096062 [0,2,0,0,0,0|0,0,0]=2 234 B13R1.3088 COC(=O)C1=CC=C(OC)C(I)=C1 CS-0045005 [0,2,0,0,0,0|0,0,0]=2 235 B13R1.3088 COC(=O)C1=CN=C(OC)C(Br)=C1 CS-W022865 [0,2,0,0,0,0|1,0,0]=3 236 B13R1.29 CC1=CC=C(S(=O)(=O)OCF)C=C1 CS-W018988 [0,2,0,0,0,0|2,0,0]=4 237 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 CS-0060858 [0,2,0,0,0,0|2,0,0]=4 238 B13R1.466 CCOC(=O)C1=CC(Br)=C(O)C=C1 CS-0037718 [0,2,0,0,0,0|0,0,0]=2 239 B13R1.466 CCOC(=O)C1=CC(F)=C(N)C=C1 CS-W022684 [0,2,0,0,0,0|1,0,0]=3 240 B13R1.466 CCOC(=O)C1=CC=C(Br)C(Br)=C1 CS-0036162 [0,2,0,0,0,0|1,0,0]=3 241 B13R1.466 CCOC(=O)C1=CC=C(C)C(Cl)=N1 CS-0035485 [0,2,0,0,0,0|2,0,0]=4 242 B13R1.466 CCOC(=O)C1=CC=C(N)C(I)=C1 CS-0095606 [0,2,0,0,0,0|1,0,0]=3 243 B13R1.466 CCOC(=O)C1=CN=C(C)C(N)=C1 CS-0049447 [0,2,0,0,0,0|2,0,0]=4 244 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 CS-0049505 [0,2,0,0,0,0|1,0,1]=4 245 B13R1.1511 CCOC(=O)C1=CC=C(Br)C=C1C CS-0037044 [0,2,0,0,0,0|1,0,0]=3 246 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1Br CS-0096862 [0,2,0,0,0,0|1,0,0]=3 247 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1F CS-W023088 [0,2,0,0,0,0|1,0,0]=3 248 B13R1.1511 CCOC(=O)C1=CC=C(I)C=C1C CS-0113927 [0,2,0,0,0,0|1,0,0]=3 249 B13R1.1511 CCOC(=O)C1=CC=C(N)C=C1Cl CS-B1391 [0,2,0,0,0,0|1,0,0]=3 250 B13R1.510 CN(C)C(=O)C1=CC=C(F)C(Br)=C1 CS-0047192 [0,2,0,0,0,0|2,0,0]=4 251 B13R1.525 CC(C)(C)C(=O)C1=CC=C(Br)C=C1 CS-W021229 [0,2,0,0,0,0|2,0,0]=4 252 B13R1.525 CC(C)(C)C(=O)C1=CC=C(Cl)C=C1 CS-0038979 [0,2,0,0,0,0|2,0,0]=4 253 B13R1.49 CNC1=CC(C(=O)OC)=CC=C1N CS-0096408 [0,2,0,0,0,0|1,0,0]=3 254 B13R1.49 COC(=O)C1=CC(C#N)=C(N)C=C1 CS-0043714 [0,2,0,0,0,0|1,0,0]=3 255 B13R1.49 COC(=O)C1=CC=C(Cl)C(C#N)=C1 CS-0098674 [0,2,0,0,0,0|1,0,0]=3 256 B13R1.49 COC(=O)C1=CC=C(O)C(C=O)=C1 CS-0000056 [0,2,0,0,0,0|0,0,0]=2 257 B13R1.49 COC(=O)C1=NC(OC)=C(Br)C=C1 CS-W006772 [0,2,0,0,0,0|2,0,0]=4 258 B13R1.49 O=C(CBr)C1=CC=C(O)C(CO)=C1 CS-M2583 [0,2,0,0,0,0|2,0,0]=4 259 B13R1.1807 COC(=O)C1=C(Cl)C=C(N)C(Cl)=C1 CS-0047052 [0,2,0,0,0,0|1,0,0]=3 260 B13R1.1807 COC(=O)C1=CC(Br)=C(Cl)C=C1F CS-0105467 [0,2,0,0,0,0|1,0,0]=3 261 B13R1.1807 COC(=O)C1=CC(C)=C(N)C=C1C CS-0098745 [0,2,0,0,0,0|1,0,0]=3 262 B13R1.1807 COC(=O)C1=CC(F)=C(Cl)C=C1N CS-0031061 [0,2,0,0,0,0|1,0,0]=3 263 B13R1.1807 COC(=O)C1=CC(F)=C(F)C=C1N CS-W003614 [0,2,0,0,0,0|1,0,0]=3 264 B13R1.1807 COC(=O)C1=CC(N)=C(F)C=C1Cl CS-0098660 [0,2,0,0,0,0|1,0,0]=3 265 B13R1.1808 COC(=O)C1=CC=C(Br)C(F)=C1F CS-0105524 [0,2,0,0,0,0|1,0,0]=3 266 B13R1.1808 COC(=O)C1=CC=C(C)C(I)=C1Cl CS-0047220 [0,2,0,0,0,0|1,0,0]=3 267 B13R1.1808 COC(=O)C1=CC=C(C)C(N)=C1Cl CS-0080228 [0,2,0,0,0,0|1,0,0]=3 268 B13R1.1808 COC(=O)C1=CC=C(N)C(C)=C1F CS-0098634 [0,2,0,0,0,0|1,0,0]=3 269 B13R1.2678 COC(=O)C1=CC(C)=C(N)C(C)=C1 CS-W005283 [0,2,0,0,0,0|1,0,0]=3 270 B13R1.2678 COC(=O)C1=CC(O)=C(I)C(O)=C1 CS-0090457 [0,2,0,0,0,0|1,0,0]=3 271 B13R1.2065 COC(=O)C1=C(C#N)C=C(Cl)C=C1 CS-0042903 [0,2,0,0,0,0|1,0,0]=3 272 B13R1.2065 COC(=O)C1=NC=C(Br)C=C1OC CS-0054497 [0,2,0,0,0,0|2,0,0]=4 273 B13R1.4656 COC(=O)C1=C(C)C=C(Cl)C=C1F CS-0102037 [0,2,0,0,0,0|1,0,0]=3 274 B13R1.4656 COC(=O)C1=C(C)C=C(F)C=C1C CS-0098661 [0,2,0,0,0,0|1,0,0]=3 275 B13R1.4656 COC(=O)C1=C(C)C=C(N)C=C1C CS-0098757 [0,2,0,0,0,0|1,0,0]=3 276 B13R1.4656 COC(=O)C1=C(Cl)C=C(Br)C=C1Cl CS-0098694 [0,2,0,0,0,0|1,0,0]=3 277 B11R2.34 OC1=CC=C(C2CC2)C=C1 CS-0028399 [1,0,0,1,0,0|1,0,1]=4 278 B11R2.36 BrC1=CC=C2COCC2=C1 CS-0037778 [1,0,0,1,0,0|1,0,1]=4 279 B11R2.36 OC1=CC=C2OCCC2=C1 CS-B1237 [1,0,0,1,0,0|2,0,0]=4 280 B11R2.1 NC1=NCC2=CC=CC=C21 CS-B1325 [1,0,0,1,0,0|2,0,0]=4 281 B13R2.3028 CC1C(=O)NC2=CC=C(Br)C=C21 CS-0036961 [0,0,0,1,0,1|2,0,0]=4 282 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)CC2 CS-B1127 [0,0,0,1,0,1|2,0,0]=4 283 B13R2.3683 O=C1CCC2=C(C=CC(Cl)=C2)C1 CS-B0115 [0,0,0,1,0,1|2,0,0]=4 284 B13R2.3683 O=C1CCC2=C(C=CC(F)=C2)C1 CS-B0112 [0,0,0,1,0,1|2,0,0]=4 285 B13R2.2130 COC1=CC=C2C(=O)N=CC2=C1 CS-W006552 [0,1,0,1,0,0|1,0,1]=4 286 B13R2.662 O=CC1=CNC2=C1C=CC(O)=C2 CS-B1236 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.520 O=C(C1=CC=C(O)C=C1)C2CC2 CS-0103541 [0,1,0,1,0,0|1,0,0]=3 288 B13R2.5179 CC1=CC=C2C(=O)CCOC2=C1 CS-0101615 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.5179 O=C1C=CNC2=C1C=CC(O)=C2 CS-0060659 [0,1,0,1,0,0|1,0,1]=4 290 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 CS-0020163 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.5179 O=C1CCOC2=C1C=CC(Cl)=C2 CS-W005351 [0,1,0,1,0,0|2,0,0]=4 292 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 CS-W004859 [0,1,0,1,0,0|2,0,0]=4 293 B13R2.5179 O=C1COCC2=CC(Br)=CC=C12 CS-0037637 [0,1,0,1,0,0|1,0,0]=3 294 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 CS-D0456 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.5180 CC1=C(O)C=CC2=C1COC2=O CS-0028397 [0,1,0,1,0,0|0,0,0]=2 296 B13R2.5180 O=C1CCC2=C1C=CC(Cl)=C2Br CS-0101665 [0,1,0,1,0,0|2,0,0]=4 297 B13R2.5180 O=C1CCC2=C1C=CC(F)=C2Br CS-0101679 [0,1,0,1,0,0|2,0,0]=4 298 B13R2.11634 O=C1CCC2=C1C=C(Br)C(F)=C2 CS-0012676 [0,1,0,1,0,0|2,0,0]=4 299 B13R2.11634 O=C1CCC2=C1C=C(Cl)C(F)=C2 CS-0036922 [0,1,0,1,0,0|2,0,0]=4 300 B13R2.11634 O=C1CCC2=C1C=C(F)C(Cl)=C2 CS-0037657 [0,1,0,1,0,0|2,0,0]=4 301 B13R2.11634 O=C1NCC2=C1C=C(Br)C(F)=C2 CS-WAA0335 [0,1,0,1,0,0|2,0,0]=4 302 B13R2.11634 O=C1NCC2=C1C=C(Cl)C(F)=C2 CS-WAA0298 [0,1,0,1,0,0|2,0,0]=4 303 B13R2.11634 O=C1NCC2=C1C=C(F)C(F)=C2 CS-WAA0131 [0,1,0,1,0,0|2,0,0]=4 304 B13R2.11642 O=C1CCC2=C1C(Br)=CC(F)=C2 CS-0064116 [0,1,0,1,0,0|2,0,0]=4 305 B13R2.11642 O=C1CCC2=C1C(F)=CC(F)=C2 CS-W016043 [0,1,0,1,0,0|2,0,0]=4 306 B13R2.11642 O=C1CCC2=C1C(F)=CC(O)=C2 CS-0080204 [0,1,0,1,0,0|1,0,0]=3 307 B13R2.11642 O=C1CCC2=C1C(O)=CC(F)=C2 CS-0080206 [0,1,0,1,0,0|2,0,0]=4 308 B13R2.11642 O=C1NCC2=C1C(F)=CC(F)=C2 CS-WAA0320 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS-W019588 [1,0,0,0,1,0|2,0,0]=4 310 B9R1.35 CC1=CC(C(=O)O)=CN1 CS-0018766 [1,0,0,0,1,0|2,0,0]=4 311 B9R1.35 CC1=COC(C(=O)O)=C1 CS-W007308 [1,0,0,0,1,0|2,0,0]=4 312 B9R1.35 CN1C=CC(C(=O)O)=C1 CS-W003777 [1,0,0,0,1,0|2,0,0]=4 313 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS-W009277 [1,0,0,0,1,0|2,0,0]=4 314 B9R1.35 O=C(O)C1=CC(Cl)=CS1 CS-0040858 [1,0,0,0,1,0|2,0,0]=4 315 B9R1.35 O=C(O)C1=CC(F)=CS1 CS-0040859 [1,0,0,0,1,0|2,0,0]=4 316 B9R1.35 O=C(O)C1=CC=C(F)S1 CS-D0304 [1,0,0,0,1,0|2,0,0]=4 317 B9R1.35 O=C(O)C1=CNC(Cl)=C1 CS-0035544 [1,0,0,0,1,0|2,0,0]=4 318 B9R1.35 O=C(O)C1=COC(Br)=C1 CS-W023154 [1,0,0,0,1,0|2,0,0]=4 319 B9R1.11 COC(=O)C1=CC=CN1 CS-W013518 [1,0,0,0,1,0|1,0,0]=3 320 B9R1.11 COC(=O)C1=NC=CS1 CS-W022890 [1,0,0,0,1,0|2,0,0]=4 321 B9R1.11 COC(=O)C1=NNC=C1 CS-W008807 [1,0,0,0,1,0|2,0,0]=4 322 B11R1.40 COC(=O)CC1=CC=CN=C1 CS-0037030 [1,0,0,0,0,1|1,0,0]=3 323 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 CS-W020031 [0,0,0,0,0,2|0,0,0]=2