0 B10R1.13 C=C(C)C1=CC=C(O)C=C1 MC441020 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 C=C(C)C1=CN=C(Cl)C=C1 MC107618 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS17999 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS19687 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(=O)C1=CC=C(F)N=C1 CS16982 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.13 CC(=O)C1=CC=C(O)N=C1 CS12692 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 CC(=O)C1=CN=C(N)N=C1 CS17494 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.13 CC(Br)C1=CC=C(F)C=C1 CS16140 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 CC(C)C1=CC=C(Br)C=C1 CS19162 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.13 CC(C)C1=CC=C(N)C=C1 CS22915 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.13 CC(C)C1=CC=C(N)C=N1 CS22406 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 CC(C)C1=CN=C(N)C=C1 CS21752 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS10540 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 CC(N)C1=CC=C(Br)C=C1 CS20256 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 CC(N)C1=CC=C(F)C=C1 CS19253 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC40832 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.13 CC(N)C1=CC=C(F)C=C1 MC429424 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.13 CC(N)C1=CC=C(I)C=C1 MC113505 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 CC(N)C1=CC=C(N)C=C1 CS22422 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.13 CC(N)c1ccc(Cl)cc1 MC433903 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 CC(O)C1=CC=C(F)C=C1 MC33129 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.13 CC(O)C1=CC=C(N)C=C1 MC40728 [0,0,0,0,0,0|1,0,1]=2 41 B10R1.13 CC1=CC=C(B(O)O)C=C1 CS10128 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.13 CC1=CC=C(B(O)O)C=N1 CS18413 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.13 CC1=CC=C(C(=N)N)C=C1 CS20439 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,0,0,0,0,0|1,0,0]=1 46 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,0,0,0,0,0|2,0,0]=2 47 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 CS11896 [0,0,0,0,0,0|2,0,1]=3 48 B10R1.13 CC1=CC=C(S(N)=O)C=C1 CS18822 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,0,0,0,0,0|2,0,0]=2 51 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.13 CC1=NC=C([N+](=O)[O-])C=C1 CS19359 [0,0,0,0,0,0|3,0,1]=4 58 B10R1.13 CN(C)C1=CC=C(Br)C=C1 CS15132 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 MC20289 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.13 CN(C)C1=CC=C(I)C=C1 CS16430 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.13 CN(C)C1=CC=C(O)C=C1 CS16528 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.13 CN(C)C1=CC=C(O)C=C1 MC442505 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427118 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.13 CN(C)C1=NC=C(N)C=C1 MC427390 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.13 Cc1ccc(C(C)C)cc1 MC444976 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.13 FC(F)C1=CC=C(Br)C=C1 MC33151 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 MC33143 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 MC21022 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CS20283 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.13 N=C(N)C1=CC=C(F)C=C1 CS18318 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.13 N=C(N)C1=CC=C(N)C=C1 CS21974 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 CS14439 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS10426 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.13 NC(=O)C1=CN=C(N)C=C1 MC425266 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 CS15436 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS20343 [0,0,0,0,0,0|2,1,0]=3 84 B10R1.13 NC1=CC=C(B(O)O)C=C1 CS19513 [0,0,0,0,0,0|1,0,1]=2 85 B10R1.13 NC1=CC=C(B(O)O)C=C1 MC442888 [0,0,0,0,0,0|1,0,1]=2 86 B10R1.13 NC1=CC=C(B(O)O)C=N1 MC21015 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,0,0,0,0,0|0,0,0]=0 88 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 CS22580 [0,0,0,0,0,0|0,0,1]=1 90 B10R1.13 NC1=CC=C(C(F)F)C=C1 CS17592 [0,0,0,0,0,0|2,0,1]=3 91 B10R1.13 NC1=CC=C(C(F)F)N=C1 CS16709 [0,0,0,0,0,0|3,0,1]=4 92 B10R1.13 NC1=CC=C([N+](=O)[O-])C=C1 MC40934 [0,0,0,0,0,0|1,0,1]=2 93 B10R1.13 NC1=CC=C([N+](=O)[O-])N=C1 CS10210 [0,0,0,0,0,0|2,0,1]=3 94 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,0,0,0,0,0|1,0,0]=1 95 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,0,0,0,0,0|2,0,0]=2 96 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,0,0,0,0,0|2,0,0]=2 97 B10R1.13 NC1=NC=C(B(O)O)C=N1 MC10501 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,0,0,0,0,0|1,0,0]=1 99 B10R1.13 NC1=NC=C(C(=O)O)C=N1 CS18230 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.13 NC1=NC=C([N+](=O)[O-])C=C1 CS17743 [0,0,0,0,0,0|2,0,1]=3 101 B10R1.13 NC1=NC=C([N+](=O)[O-])C=N1 CS15826 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 MC40440 [0,0,0,0,0,0|2,0,0]=2 103 B10R1.13 O=C(Cl)C1=CC=C(F)C=C1 MC40474 [0,0,0,0,0,0|2,0,0]=2 104 B10R1.13 O=C(Cl)C1=CC=C(I)C=C1 MC433701 [0,0,0,0,0,0|2,0,0]=2 105 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,0,0,0,0,0|1,0,0]=1 106 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,0,0,0,0,0|1,0,0]=1 108 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,0,0,0,0,0|1,0,0]=1 110 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,0,0,0,0,0|1,0,0]=1 111 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,0,0,0,0,0|1,0,0]=1 112 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,0,0,0,0,0|2,0,0]=2 114 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,0,0,0,0,0|2,0,0]=2 115 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 CS18270 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,0,0,0,0,0|2,0,0]=2 118 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,0,0,0,0,0|2,0,0]=2 119 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,0,0,0,0,0|2,0,0]=2 122 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,0,0,0,0,0|2,0,0]=2 125 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,0,0,0,0,0|2,0,0]=2 127 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,0,0,0,0,0|2,0,0]=2 128 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,0,0,0,0,0|3,0,0]=3 129 B10R1.13 O=C([O-])C1=CC=C(Br)C=C1 MC40334 [0,0,0,0,0,0|1,0,1]=2 130 B10R1.13 O=C([O-])C1=CC=C(Cl)C=C1 MC40337 [0,0,0,0,0,0|1,0,1]=2 131 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 MC40351 [0,0,0,0,0,0|1,0,1]=2 132 B10R1.13 O=C1C=CC(C(=O)O)N=N1 CS17837 [0,0,0,0,0,0|3,0,1]=4 133 B10R1.13 O=[N+]([O-])C1=CC=C(Br)C=C1 CS18786 [0,0,0,0,0,0|2,0,1]=3 134 B10R1.13 O=[N+]([O-])C1=CC=C(F)C=C1 CS22843 [0,0,0,0,0,0|2,0,1]=3 135 B10R1.13 O=[N+]([O-])C1=CC=C(F)N=C1 CS14463 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.13 O=[N+]([O-])C1=CC=C(I)C=C1 CS19234 [0,0,0,0,0,0|2,0,1]=3 137 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=C1 MC41207 [0,0,0,0,0,0|2,0,1]=3 138 B10R1.13 O=[N+]([O-])C1=CC=C(O)C=N1 CS19719 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.13 O=[N+]([O-])C1=CC=[N+]([O-])C=C1 MC41629 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.13 O=[N+]([O-])C1=CN=C(Br)C=C1 MC20011 [0,0,0,0,0,0|3,0,1]=4 141 B10R1.13 O=[N+]([O-])C1=CN=C(Cl)C=C1 CS17320 [0,0,0,0,0,0|3,0,1]=4 142 B10R1.13 O=[N+]([O-])C1=CN=C(O)C=C1 CS22717 [0,0,0,0,0,0|3,0,1]=4 143 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 CS17285 [0,0,0,0,0,0|3,0,1]=4 144 B10R1.13 O=[N+]([O-])C1=NC=C(Cl)C=C1 CS17336 [0,0,0,0,0,0|3,0,1]=4 145 B10R1.13 O=[N+]([O-])C1=NC=C(F)C=C1 CS20058 [0,0,0,0,0,0|3,0,1]=4 146 B10R1.13 O=[N+]([O-])c1ccc(Cl)cc1 MC41577 [0,0,0,0,0,0|2,0,1]=3 147 B10R1.13 OB(O)C1=CC=C(Br)C=C1 CS19222 [0,0,0,0,0,0|2,0,1]=3 148 B10R1.13 OB(O)C1=CC=C(Br)N=C1 CS17585 [0,0,0,0,0,0|3,0,1]=4 149 B10R1.13 OB(O)C1=CC=C(Cl)C=C1 CS19227 [0,0,0,0,0,0|2,0,1]=3 150 B10R1.13 OB(O)C1=CC=C(Cl)N=C1 CS17598 [0,0,0,0,0,0|3,0,1]=4 151 B10R1.13 OB(O)C1=CC=C(F)C=C1 CS23000 [0,0,0,0,0,0|2,0,1]=3 152 B10R1.13 OB(O)C1=CC=C(I)C=C1 CS22011 [0,0,0,0,0,0|2,0,1]=3 153 B10R1.13 OB(O)C1=CC=C(O)C=C1 CS19452 [0,0,0,0,0,0|2,0,1]=3 154 B10R1.13 OB(O)C1=CC=C(S)C=C1 MC20067 [0,0,0,0,0,0|2,0,1]=3 155 B10R1.13 OB(O)C1=CN=C(F)C=C1 MC20431 [0,0,0,0,0,0|3,0,1]=4 156 B10R1.13 OB(O)C1=NC=C(F)C=C1 MC100358 [0,0,0,0,0,0|3,0,1]=4 157 B10R1.13 OC1=CC=C(C(F)F)C=C1 CS15692 [0,0,0,0,0,0|3,0,1]=4 158 B9R1.1 BrCC1=CC=C(Br)C=C1 CS19166 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.1 BrCC1=CC=C(I)C=C1 CS20172 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 Br[Mg]c1ccc(Br)cc1 MC116037 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.1 C#CC1=CC=C(Br)C=C1 MC440298 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.1 C#CC1=CC=C(C)C=C1 CS21552 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.1 C#CC1=CC=C(Cl)C=C1 MC440300 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.1 C#CC1=CC=C(F)C=C1 MC429574 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.1 C#CC1=CC=C(I)C=C1 MC443225 [1,0,0,0,0,0|2,0,1]=4 166 B9R1.1 C=CC1=CC=C(Br)C=C1 MC41562 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.1 C=CC1=CC=C(F)C=C1 MC33131 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 C=CC1=CN=C(Br)C=C1 MC442257 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 C=CC1=NC=C(Br)C=C1 MC431908 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.1 CC1=CC=C(C#N)C=C1 CS19807 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.1 CC1=CC=C(C=O)C=C1 MC41128 [1,0,0,0,0,0|1,0,0]=2 172 B9R1.1 CC1=CC=C(CBr)C=C1 CS22969 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.1 CC1=CC=C(CCl)C=C1 MC40603 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.1 CC1=CC=C(CN)C=C1 CS22970 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.1 CC1=CC=C(CO)C=C1 CS19704 [1,0,0,0,0,0|1,0,1]=3 176 B9R1.1 CC1=CC=C(CO)C=N1 MC21041 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.1 CC1=CC=C(NN)C=C1 CS19576 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.1 CC1=CN=C(C=O)C=C1 CS19088 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 CC1=CN=C(C=O)C=N1 CS12781 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.1 CC1=CN=C(C=O)N=C1 MC103803 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.1 CC1=NC=C(C=O)C=C1 CS19116 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.1 CC1=NC=C(C=O)C=N1 MC444194 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 CCC1=CC=C(Br)C=C1 CS10865 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.1 CCC1=CC=C(F)C=C1 MC20965 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.1 CCC1=CC=C(I)C=C1 MC20189 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.1 CCC1=CC=C(N)C=C1 MC40912 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.1 CCC1=CC=C(O)C=C1 MC20188 [1,0,0,0,0,0|2,0,1]=4 188 B9R1.1 CNC1=CC=C(Cl)C=C1 MC40891 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.1 CNC1=CC=C(F)C=C1 MC40919 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.1 CNC1=CC=C(I)C=C1 CS22906 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.1 CNC1=NC=C(N)C=C1 MC33484 [1,0,0,0,0,0|3,0,0]=4 192 B9R1.1 COC1=CC=C(Br)C=C1 MC41310 [1,0,0,0,0,0|3,0,0]=4 193 B9R1.1 COC1=CC=C(Cl)C=C1 MC41327 [1,0,0,0,0,0|3,0,0]=4 194 B9R1.1 COC1=CC=C(F)C=C1 MC30345 [1,0,0,0,0,0|3,0,0]=4 195 B9R1.1 COC1=CC=C(I)C=C1 MC41342 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.1 COC1=CC=C(N)C=C1 CS18580 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.1 COC1=CC=C(N)C=N1 CS19527 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.1 COC1=CC=C(O)C=C1 CS22939 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.1 COC1=CC=C(S)C=C1 MC20380 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.1 COC1=CN=C(N)C=C1 CS17791 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.1 COC1=NC=C(N)C=C1 MC33494 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.1 CSC1=CC=C(O)C=C1 MC20743 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.1 ClC1=CC=C(CBr)C=C1 MC40527 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.1 ClCC1=CC=C(Br)C=C1 CS19167 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.1 ClCC1=CC=C(Cl)C=C1 CS19806 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.1 FC1=CC=C(CBr)C=C1 CS19071 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.1 FC1=CC=C(CCl)C=C1 MC429572 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.1 N#CC1=CC=C(Br)C=C1 CS19210 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.1 N#CC1=CC=C(Cl)C=C1 CS19211 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.1 N#CC1=CC=C(F)C=C1 CS18637 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.1 N#CC1=CC=C(I)C=C1 CS22010 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.1 N#CC1=CC=C(N)C=C1 CS13395 [1,0,0,0,0,0|1,0,1]=3 213 B9R1.1 N#CC1=CC=C(N)C=N1 CS19137 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.1 N#CC1=CC=C(O)C=C1 CS15887 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.1 N#CC1=CN=C(N)C=C1 CS22991 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.1 NC1=CC=C(C=O)C=C1 MC20423 [1,0,0,0,0,0|0,0,0]=1 217 B9R1.1 NC1=CC=C(CO)C=C1 MC33175 [1,0,0,0,0,0|0,0,1]=2 218 B9R1.1 NC1=CC=C(CO)C=N1 MC425278 [1,0,0,0,0,0|1,0,1]=3 219 B9R1.1 NC1=CN=C(CO)C=C1 MC33467 [1,0,0,0,0,0|1,0,1]=3 220 B9R1.1 NC1=NC=C(C=O)C=N1 CS16976 [1,0,0,0,0,0|2,0,0]=3 221 B9R1.1 NC1=NC=C(C=O)C=N1 CS19828 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.1 NCC1=CC=C(Br)C=C1 CS19587 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.1 NCC1=CC=C(Cl)C=C1 MC33031 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.1 NCC1=CC=C(F)C=C1 CS18721 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.1 NCC1=CC=C(I)C=C1 MC40836 [1,0,0,0,0,0|2,0,1]=4 226 B9R1.1 NCC1=CC=C(I)C=C1 MC40837 [1,0,0,0,0,0|2,0,1]=4 227 B9R1.1 NCC1=CC=C(N)C=N1 CS10590 [1,0,0,0,0,0|2,0,1]=4 228 B9R1.1 NCC1=CC=C(O)C=C1 CS22886 [1,0,0,0,0,0|2,0,1]=4 229 B9R1.1 NNC1=CC=C(Br)C=C1 CS15342 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.1 NNC1=CC=C(Cl)C=C1 CS13495 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.1 NNC1=CC=C(Cl)C=C1 CS17312 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.1 NNC1=CC=C(F)C=C1 CS22006 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.1 NNC1=CC=C(N)C=C1 MC430700 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.1 O=C1C=CC(CO)=CN1 CS19816 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.1 O=CC1=CC=C(Br)C=C1 CS18612 [1,0,0,0,0,0|1,0,0]=2 236 B9R1.1 O=CC1=CC=C(Cl)C=C1 CS14843 [1,0,0,0,0,0|1,0,0]=2 237 B9R1.1 O=CC1=CC=C(Cl)N=N1 MC444424 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.1 O=CC1=CC=C(F)C=C1 CS19072 [1,0,0,0,0,0|1,0,0]=2 239 B9R1.1 O=CC1=CC=C(I)C=C1 CS20133 [1,0,0,0,0,0|1,0,0]=2 240 B9R1.1 O=CC1=CC=C(O)C=C1 CS18686 [1,0,0,0,0,0|1,0,0]=2 241 B9R1.1 O=CC1=CN=C(Br)C=C1 CS13736 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.1 O=CC1=CN=C(Cl)C=C1 CS13978 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.1 O=CC1=CN=C(Cl)N=C1 CS12216 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.1 O=CC1=CN=C(F)C=C1 CS19261 [1,0,0,0,0,0|2,0,0]=3 245 B9R1.1 O=CC1=CN=C(O)C=C1 CS13494 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.1 O=CC1=NC=C(Br)C=C1 CS14127 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.1 O=CC1=NC=C(Br)C=N1 MC113781 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.1 O=CC1=NC=C(Cl)C=C1 CS18956 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.1 O=CC1=NC=C(Cl)C=N1 MC104699 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.1 O=CC1=NC=C(F)C=C1 CS20057 [1,0,0,0,0,0|2,0,0]=3 251 B9R1.1 O=CC1=NC=C(F)C=N1 MC103702 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.1 O=CC1=NC=C(O)C=C1 CS12167 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.1 OCC1=CC=C(Br)C=C1 CS19378 [1,0,0,0,0,0|1,0,1]=3 254 B9R1.1 OCC1=CC=C(Cl)C=C1 CS19353 [1,0,0,0,0,0|1,0,1]=3 255 B9R1.1 OCC1=CC=C(F)C=C1 MC40711 [1,0,0,0,0,0|1,0,1]=3 256 B9R1.1 OCC1=CC=C(F)N=C1 MC429931 [1,0,0,0,0,0|2,0,1]=4 257 B9R1.1 OCC1=CC=C(O)C=C1 CS19212 [1,0,0,0,0,0|1,0,1]=3 258 B9R1.1 OCC1=CN=C(Cl)C=C1 MC20657 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.1 OCC1=NC=C(Br)C=C1 CS23005 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.1 OCC1=NC=C(Cl)C=C1 CS21758 [1,0,0,0,0,0|2,0,1]=4 261 B9R1.1 OCC1=NC=C(F)C=C1 CS10382 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.6 C=C(F)C1=CC=CC=C1 MC102770 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,0,0|1,0,0]=2 265 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [1,0,0,0,0,0|3,0,0]=4 267 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [1,0,0,0,0,0|2,0,0]=3 268 B9R1.6 CC(=O)C1=CN=CN=C1 MC444371 [1,0,0,0,0,0|3,0,0]=4 269 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [1,0,0,0,0,0|2,0,0]=3 271 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [1,0,0,0,0,0|3,0,0]=4 273 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [1,0,0,0,0,0|3,0,0]=4 274 B9R1.6 CC(Br)C1=CC=CC=C1 MC40570 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.6 CC(N)C1=CC=CC=C1 CS10551 [1,0,0,0,0,0|2,0,1]=4 276 B9R1.6 CC(N)C1=CC=CC=C1 MC20344 [1,0,0,0,0,0|2,0,1]=4 277 B9R1.6 CC(O)C1=CC=CC=C1 MC20383 [1,0,0,0,0,0|1,0,1]=3 278 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [1,0,0,0,0,0|2,0,1]=4 280 B9R1.6 CN(C)C1=CC=CC=C1 MC40906 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,0,0|2,0,0]=3 282 B9R1.6 ClC(Cl)C1=CC=CC=C1 MC40608 [1,0,0,0,0,0|2,0,1]=4 283 B9R1.6 FC(F)C1=CC=CC=C1 MC41442 [1,0,0,0,0,0|2,0,1]=4 284 B9R1.6 N=C(N)C1=CC=CC=C1 CS14830 [1,0,0,0,0,0|2,0,0]=3 285 B9R1.6 N=C(N)C1=CN=CC=C1 CS19487 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,0,0|1,0,0]=2 288 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [1,0,0,0,0,0|3,0,0]=4 291 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.6 NC(=S)C1=CC=CC=C1 MC20863 [1,0,0,0,0,0|1,1,0]=3 293 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [1,0,0,0,0,0|1,0,0]=2 294 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [1,0,0,0,0,0|2,0,0]=3 295 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [1,0,0,0,0,0|0,0,0]=1 296 B9R1.6 O=C(O)C1=CC=CN=C1 MC41633 [1,0,0,0,0,0|1,0,0]=2 297 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [1,0,0,0,0,0|2,0,0]=3 298 B9R1.6 O=C(O)C1=CN=CN=C1 CS17525 [1,0,0,0,0,0|2,0,0]=3 299 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [1,0,0,0,0,0|2,0,0]=3 300 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [1,0,0,0,0,0|1,0,0]=2 301 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [1,0,0,0,0,0|2,0,0]=3 302 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [1,0,0,0,0,0|2,0,0]=3 303 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [1,0,0,0,0,0|2,0,0]=3 304 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 MC41586 [1,0,0,0,0,0|1,0,1]=3 305 B9R1.6 O=[N+]([O-])C1=CC=CN=C1 CS22384 [1,0,0,0,0,0|2,0,1]=4 306 B9R1.6 OB(O)C1=CC=CC=C1 CS19450 [1,0,0,0,0,0|1,0,1]=3 307 B9R1.6 OB(O)C1=CC=CN=C1 CS17797 [1,0,0,0,0,0|2,0,1]=4 308 B9R1.6 OB(O)C1=CC=NC=C1 CS22018 [1,0,0,0,0,0|2,0,1]=4 309 B9R1.6 OB(O)C1=NC=CC=C1 MC20201 [1,0,0,0,0,0|2,0,1]=4 310 B11R1.3 C#CC1=CC=C(B(O)O)C=C1 MC442854 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.3 C#CC1=CC=C([N+](=O)[O-])C=C1 CS20667 [0,1,0,0,0,0|2,0,1]=4 312 B11R1.3 C#Cc1ccc(C(=O)O)cc1 CS17809 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 MC20903 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 MC425378 [0,1,0,0,0,0|1,0,0]=2 315 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 CS18730 [0,1,0,0,0,0|1,0,1]=3 316 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 CS12193 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.3 CC(O)C1=CC=C(C#N)C=C1 CS10987 [0,1,0,0,0,0|1,0,2]=4 318 B11R1.3 CCC1=CC=C(B(O)O)C=C1 CS10550 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.3 CNC1=CC=C(B(O)O)C=N1 MC100751 [0,1,0,0,0,0|2,0,1]=4 322 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,1,0,0,0,0|0,0,0]=1 323 B11R1.3 COC1=CC=C(B(O)O)C=C1 CS10530 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.3 COC1=CC=C(C(=O)Cl)C=C1 MC20515 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.3 COC1=CC=C(C(C)=O)C=C1 MC41262 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.3 COC1=CC=C(C(C)=O)C=N1 CS20044 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS12309 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.3 N#CC1=CC=C(B(O)O)C=C1 CS20162 [0,1,0,0,0,0|1,0,2]=4 332 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 MC40462 [0,1,0,0,0,0|1,0,1]=3 333 B11R1.3 N#CC1=CC=C(C(=O)O)C=C1 CS21997 [0,1,0,0,0,0|0,0,1]=2 334 B11R1.3 N#CC1=CC=C([N+](=O)[O-])C=C1 CS13392 [0,1,0,0,0,0|1,0,2]=4 335 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 MC103593 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 MC106619 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.3 NC(=O)C1=CC=C(CBr)C=C1 CS15778 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.3 NC(=O)C1=NC=C(C=O)C=C1 MC432013 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 MC20325 [0,1,0,0,0,0|0,0,0]=1 340 B11R1.3 NCC1=NC=C(C(N)=O)C=C1 CS18466 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.3 NCc1ccc(C(N)=O)cn1 MC431292 [0,1,0,0,0,0|2,0,0]=3 342 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS10519 [0,1,0,0,0,0|0,0,0]=1 343 B11R1.3 NNC1=CC=C([N+](=O)[O-])C=C1 CS19494 [0,1,0,0,0,0|1,0,1]=3 344 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 CS14658 [0,1,0,0,0,0|1,0,1]=3 345 B11R1.3 O=C(Cl)C1=CC=C(CCl)C=C1 MC40458 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 MC10316 [0,1,0,0,0,0|1,0,0]=2 347 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CS20829 [0,1,0,0,0,0|1,0,0]=2 348 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS20945 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.3 O=CC1=CC=C(B(O)O)C=C1 CS20264 [0,1,0,0,0,0|2,0,1]=4 351 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS20792 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=C1 CS19138 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 CS19205 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 CS20345 [0,1,0,0,0,0|2,0,1]=4 355 B11R1.3 OCC1=CC=C(B(O)O)C=C1 CS20400 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.19 CC(C)(C)C1=CC=C(N)C=C1 MC40938 [0,1,0,0,0,0|2,0,1]=4 357 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 CS14403 [0,1,0,0,0,0|2,0,1]=4 358 B11R1.19 CC(C)(O)C1=CC=C(N)N=C1 MC21168 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.19 CC1=CC=C(S(=O)(=O)Cl)C=C1 MC20538 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 CS12653 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC102832 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC107660 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC111069 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC111070 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC114003 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC115790 [0,1,0,0,0,0|2,0,0]=3 367 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC20639 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC20805 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC33259 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC425317 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 MC425323 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=N1 CS19700 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 CS11880 [0,1,0,0,0,0|2,0,1]=4 374 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 MC425821 [0,1,0,0,0,0|2,0,1]=4 375 B11R1.19 CC1=CC=C(S(N)(=O)=O)C=C1 CS22966 [0,1,0,0,0,0|2,0,1]=4 376 B11R1.19 CC1=CC=C([S-](=O)(=O)=O)C=C1 MC112812 [0,1,0,0,0,0|2,0,1]=4 377 B11R1.19 CS(=O)(=O)C1=CC=C(Br)C=C1 CS10464 [0,1,0,0,0,0|2,0,1]=4 378 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 CS16414 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.19 CS(=O)(=O)C1=CC=C(F)C=C1 CS20302 [0,1,0,0,0,0|2,0,1]=4 380 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=C1 CS20413 [0,1,0,0,0,0|1,0,1]=3 381 B11R1.19 CS(=O)(=O)C1=CC=C(N)C=N1 CS14272 [0,1,0,0,0,0|2,0,1]=4 382 B11R1.19 CS(=O)(=O)C1=CC=C(O)C=C1 CS20393 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.19 CS(=O)(=O)C1=CN=C(N)C=C1 MC430210 [0,1,0,0,0,0|2,0,1]=4 384 B11R1.19 Cc1ccc(S(=O)(=O)O)cc1 MC436139 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.19 NC1=CC=C(C(F)(F)F)C=C1 CS10421 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.19 NC1=CC=C(S(=O)(=O)O)C=C1 CS18679 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.19 NC1=CC=C(S(N)(=O)=O)C=C1 CS11967 [0,1,0,0,0,0|1,0,1]=3 388 B11R1.19 NS(=O)(=O)C1=CC=C(F)C=C1 MC429578 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.19 O=S(=O)(Cl)C1=CC=C(Br)C=C1 CS18768 [0,1,0,0,0,0|2,0,1]=4 390 B11R1.19 O=S(=O)(Cl)C1=CC=C(Cl)C=C1 MC20386 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.19 O=S(=O)(Cl)C1=CC=C(F)C=C1 MC429577 [0,1,0,0,0,0|2,0,1]=4 392 B11R1.19 O=S(=O)(O)C1=CC=C(Cl)C=C1 CS19082 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [0,1,0,0,0,0|1,0,0]=2 404 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.21 CC(C)C1=CC(I)=C(N)C=C1 MC112792 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.21 CC(C)C1=CC=C(N)C(N)=C1 MC107237 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.21 CC(O)C1=CC(F)=C(F)C=C1 MC40732 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [0,1,0,0,0,0|1,0,0]=2 415 B11R1.21 CC1=C(Br)C=C([N+](=O)[O-])C=C1 CS20182 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 MC41013 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.21 CC1=C(Br)C=CC([N+](=O)[O-])=C1 MC41503 [0,1,0,0,0,0|2,0,1]=4 420 B11R1.21 CC1=C(C)C=C(B(O)O)C=C1 CS20467 [0,1,0,0,0,0|2,0,1]=4 421 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,1,0,0,0,0|1,0,0]=2 422 B11R1.21 CC1=C(C)C=C([N+](=O)[O-])C=C1 CS19756 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 MC20279 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [0,1,0,0,0,0|1,0,0]=2 427 B11R1.21 CC1=C(Cl)C=C(C(=O)[O-])C=C1 MC40343 [0,1,0,0,0,0|1,0,1]=3 428 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 MC41509 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 MC433626 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [0,1,0,0,0,0|1,0,0]=2 431 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS13608 [0,1,0,0,0,0|2,0,1]=4 432 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.21 CC1=C(Cl)N=CC(C(=O)O)=C1 MC429982 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.21 CC1=C(F)C=C(B(O)O)C=C1 CS20351 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.21 CC1=C(F)C=C([N+](=O)[O-])C=C1 CS10432 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.21 CC1=C(F)C=CC(B(O)O)=C1 CS20353 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 MC40481 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [0,1,0,0,0,0|1,0,0]=2 440 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.21 CC1=C(F)C=CC([N+](=O)[O-])=C1 CS10433 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 MC433702 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [0,1,0,0,0,0|1,0,0]=2 444 B11R1.21 CC1=C(I)C=C([N+](=O)[O-])C=C1 MC434021 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.21 CC1=C(I)C=CC([N+](=O)[O-])=C1 MC442250 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [0,1,0,0,0,0|1,0,0]=2 447 B11R1.21 CC1=C(N)C=C([N+](=O)[O-])C=C1 CS16439 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [0,1,0,0,0,0|0,0,0]=1 449 B11R1.21 CC1=C(O)C=C(B(O)O)C=C1 MC442887 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [0,1,0,0,0,0|1,0,0]=2 451 B11R1.21 CC1=C(O)C=C([N+](=O)[O-])C=C1 CS10489 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.21 CC1=C(O)C=CC(B(O)O)=C1 MC441420 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.21 CC1=C(O)C=CC([N+](=O)[O-])=C1 MC433397 [0,1,0,0,0,0|2,0,1]=4 455 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS17571 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1N MC20016 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 CS14626 [0,1,0,0,0,0|3,0,0]=4 461 B11R1.21 CN1N=CC(C(=O)O)=CC1=O MC116439 [0,1,0,0,0,0|3,0,0]=4 462 B11R1.21 N=C(N)C1=CC(N)=C(N)C=C1 CS12919 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.21 NC(=O)C1=NC(Br)=C(Cl)C=C1 MC108007 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.21 NC(=O)C1=NC(Cl)=C(Br)C=C1 MC108013 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.21 NC(=O)C1=NC(Cl)=C(Cl)C=C1 MC110050 [0,1,0,0,0,0|3,0,0]=4 466 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 MC40225 [0,1,0,0,0,0|0,0,0]=1 467 B11R1.21 NC1=C(Br)C=C([N+](=O)[O-])C=C1 CS18699 [0,1,0,0,0,0|1,0,1]=3 468 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 MC33100 [0,1,0,0,0,0|1,0,0]=2 469 B11R1.21 NC1=C(Br)C=CC([N+](=O)[O-])=C1 CS19006 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.21 NC1=C(Cl)C=C([N+](=O)[O-])C=C1 CS13557 [0,1,0,0,0,0|1,0,1]=3 471 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 CS20206 [0,1,0,0,0,0|1,0,0]=2 472 B11R1.21 NC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS15374 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS20228 [0,1,0,0,0,0|0,0,0]=1 474 B11R1.21 NC1=C(F)C=C([N+](=O)[O-])C=C1 MC30236 [0,1,0,0,0,0|1,0,1]=3 475 B11R1.21 NC1=C(F)C=CC(B(O)O)=C1 MC442908 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS10439 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.21 NC1=C(F)C=CC([N+](=O)[O-])=C1 CS22987 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 MC10142 [0,1,0,0,0,0|0,0,0]=1 479 B11R1.21 NC1=C(I)C=C([N+](=O)[O-])C=C1 CS19223 [0,1,0,0,0,0|1,0,1]=3 480 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 MC31156 [0,1,0,0,0,0|1,0,0]=2 481 B11R1.21 NC1=C(I)C=CC([N+](=O)[O-])=C1 CS16498 [0,1,0,0,0,0|2,0,1]=4 482 B11R1.21 NC1=C(I)N=C(C(=O)O)C=N1 MC104768 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 CS20381 [0,1,0,0,0,0|0,0,0]=1 484 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 CS20332 [0,1,0,0,0,0|0,0,0]=1 485 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 CS10491 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 MC41144 [0,1,0,0,0,0|2,0,1]=4 487 B11R1.21 NC1=C(S)C=C([N+](=O)[O-])C=C1 MC427263 [0,1,0,0,0,0|1,0,1]=3 488 B11R1.21 NC1=CC(C(=O)O)=NC=C1F MC431827 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1N MC427332 [0,1,0,0,0,0|2,0,1]=4 490 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl MC20248 [0,1,0,0,0,0|0,0,0]=1 491 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1N CS16440 [0,1,0,0,0,0|1,0,1]=3 492 B11R1.21 NC1=NC=C(C(=O)O)C=C1Br CS12387 [0,1,0,0,0,0|1,0,0]=2 493 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br MC101922 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.21 NC1=NC=C([N+](=O)[O-])C=C1Br CS13767 [0,1,0,0,0,0|2,0,1]=4 495 B11R1.21 NC1=NC=C([N+](=O)[O-])C=C1Cl CS13968 [0,1,0,0,0,0|2,0,1]=4 496 B11R1.21 NC1=NC=C([N+](=O)[O-])C=C1O CS15633 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.21 Nc1cc(C(=O)O)ncc1Br MC104060 [0,1,0,0,0,0|2,0,0]=3 498 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 MC21024 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.21 O=C(Cl)C1=CC(Cl)=C(F)C=C1 MC30275 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 MC40445 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 MC40454 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 MC30095 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.21 O=C(Cl)C1=NC(Br)=C(F)C=C1 MC106017 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 CS13169 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 MC433643 [0,1,0,0,0,0|1,0,0]=2 506 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 CS19835 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 CS21914 [0,1,0,0,0,0|1,0,0]=2 508 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS16354 [0,1,0,0,0,0|1,0,0]=2 509 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 MC40236 [0,1,0,0,0,0|1,0,0]=2 510 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 CS14672 [0,1,0,0,0,0|1,0,0]=2 511 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 CS19962 [0,1,0,0,0,0|1,0,0]=2 512 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 CS20110 [0,1,0,0,0,0|1,0,0]=2 513 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 CS21990 [0,1,0,0,0,0|1,0,0]=2 514 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS19967 [0,1,0,0,0,0|1,0,0]=2 515 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 CS20015 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 CS22285 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 MC40282 [0,1,0,0,0,0|1,0,0]=2 518 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 MC441218 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 MC434062 [0,1,0,0,0,0|1,0,0]=2 520 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS12746 [0,1,0,0,0,0|1,0,0]=2 521 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 MC441219 [0,1,0,0,0,0|1,0,0]=2 522 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 CS22662 [0,1,0,0,0,0|1,0,0]=2 523 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 CS20111 [0,1,0,0,0,0|1,0,0]=2 524 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 MC40283 [0,1,0,0,0,0|1,0,0]=2 525 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS18380 [0,1,0,0,0,0|1,0,0]=2 526 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 CS20259 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 CS16864 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 CS17670 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 MC20828 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 MC431134 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 CS14093 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 CS22861 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 MC432210 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 CS13277 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 MC103666 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 CS17143 [0,1,0,0,0,0|3,0,0]=4 542 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS15157 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.21 O=C(O)C1=NC=C(Cl)C(Br)=C1 MC430521 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.21 O=C([O-])C1=CC(Cl)=C(F)C=C1 MC40342 [0,1,0,0,0,0|1,0,1]=3 546 B11R1.21 O=C([O-])C1=CC(F)=C(F)C=C1 MC40348 [0,1,0,0,0,0|1,0,1]=3 547 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(Br)C=C1 CS17243 [0,1,0,0,0,0|2,0,1]=4 548 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(F)C=C1 CS22855 [0,1,0,0,0,0|2,0,1]=4 549 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(I)C=C1 CS16203 [0,1,0,0,0,0|2,0,1]=4 550 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(O)C=C1 CS18789 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(Br)C=C1 CS20647 [0,1,0,0,0,0|2,0,1]=4 552 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(O)C=C1 CS18855 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.21 O=[N+]([O-])C1=CC(F)=C(Cl)C=C1 CS22876 [0,1,0,0,0,0|2,0,1]=4 554 B11R1.21 O=[N+]([O-])C1=CC(F)=C(O)C=C1 MC30320 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Br)C=C1 MC33152 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.21 O=[N+]([O-])C1=CC(O)=C(Cl)C=C1 CS22922 [0,1,0,0,0,0|2,0,1]=4 557 B11R1.21 O=[N+]([O-])C1=CC(O)=C(F)C=C1 CS21551 [0,1,0,0,0,0|2,0,1]=4 558 B11R1.21 O=[N+]([O-])c1ccc(Br)c(F)c1 CS22859 [0,1,0,0,0,0|2,0,1]=4 559 B11R1.21 O=[N+]([O-])c1ccc(Br)c(I)c1 MC41572 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.21 O=[N+]([O-])c1ccc(Cl)c(Br)c1 CS18655 [0,1,0,0,0,0|2,0,1]=4 561 B11R1.21 O=[N+]([O-])c1ccc(Cl)c(Cl)c1 MC41580 [0,1,0,0,0,0|2,0,1]=4 562 B11R1.21 O=[N+]([O-])c1ccc(F)c(Cl)c1 CS22872 [0,1,0,0,0,0|2,0,1]=4 563 B11R1.21 O=[N+]([O-])c1ccc(F)c(F)c1 CS22881 [0,1,0,0,0,0|2,0,1]=4 564 B11R1.21 O=[N+]([O-])c1ccc(F)c(I)c1 MC41583 [0,1,0,0,0,0|2,0,1]=4 565 B11R1.21 O=[N+]([O-])c1ccc(I)c(F)c1 MC433529 [0,1,0,0,0,0|2,0,1]=4 566 B11R1.21 OB(O)C1=CC(Br)=C(Cl)C=C1 MC41811 [0,1,0,0,0,0|2,0,1]=4 567 B11R1.21 OB(O)C1=CC(Cl)=C(Cl)C=C1 CS18935 [0,1,0,0,0,0|2,0,1]=4 568 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 CS18946 [0,1,0,0,0,0|2,0,1]=4 569 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 CS13191 [0,1,0,0,0,0|2,0,1]=4 570 B11R1.21 OB(O)C1=CC(F)=C(F)C=C1 CS18957 [0,1,0,0,0,0|2,0,1]=4 571 B11R1.21 OB(O)C1=CC(F)=C(O)C=C1 MC441708 [0,1,0,0,0,0|2,0,1]=4 572 B11R1.21 OB(O)C1=CC(O)=C(Cl)C=C1 CS16283 [0,1,0,0,0,0|2,0,1]=4 573 B11R1.21 OB(O)C1=CC(O)=C(F)C=C1 MC441422 [0,1,0,0,0,0|2,0,1]=4 574 B11R1.22 CC1=CC=C(C(=O)CBr)C=N1 MC431197 [0,1,0,0,0,0|3,0,0]=4 575 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 CS22698 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 CS22795 [0,1,0,0,0,0|2,0,0]=3 577 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 CS20436 [0,1,0,0,0,0|3,0,0]=4 578 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 CS22846 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 CS15690 [0,1,0,0,0,0|2,0,0]=3 580 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 MC33519 [0,1,0,0,0,0|3,0,0]=4 581 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 CS15303 [0,1,0,0,0,0|1,0,0]=2 582 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.22 COC(=O)C1=CC=C(F)C=C1 CS20841 [0,1,0,0,0,0|1,0,0]=2 586 B11R1.22 COC(=O)C1=CC=C(I)C=C1 CS20853 [0,1,0,0,0,0|1,0,0]=2 587 B11R1.22 COC(=O)C1=CC=C(N)C=C1 CS20990 [0,1,0,0,0,0|0,0,0]=1 588 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.22 COC(=O)C1=CC=C(O)C=C1 CS19446 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 CS14052 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.22 COC(=O)C1=CN=C(Br)N=C1 MC442840 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,1,0,0,0,0|2,0,0]=3 593 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS11603 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.22 COC(=O)C1=CN=C(F)C=C1 CS13697 [0,1,0,0,0,0|2,0,0]=3 595 B11R1.22 COC(=O)C1=CN=C(N)C=C1 CS14193 [0,1,0,0,0,0|1,0,0]=2 596 B11R1.22 COC(=O)C1=CN=C(N)N=C1 CS12441 [0,1,0,0,0,0|2,0,0]=3 597 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS19248 [0,1,0,0,0,0|2,0,0]=3 598 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [0,1,0,0,0,0|3,0,0]=4 599 B11R1.22 COC(=O)C1=COC(=O)C=C1 CS19181 [0,1,0,0,0,0|2,0,0]=3 600 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [0,1,0,0,0,0|3,0,0]=4 602 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,1,0,0,0,0|2,0,0]=3 604 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,1,0,0,0,0|3,0,0]=4 605 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,1,0,0,0,0|1,0,0]=2 608 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [0,1,0,0,0,0|2,0,0]=3 611 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS10839 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 CS20894 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 MC431262 [0,1,0,0,0,0|2,0,1]=4 617 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 MC33165 [0,1,0,0,0,0|2,0,0]=3 618 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 MC20179 [0,1,0,0,0,0|2,0,0]=3 619 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 MC41002 [0,1,0,0,0,0|2,0,0]=3 620 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 MC41004 [0,1,0,0,0,0|2,0,0]=3 621 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 MC41003 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.22 NNC(=O)C1=CNC(=O)C=C1 CS18702 [0,1,0,0,0,0|3,0,0]=4 623 B11R1.22 NNC(=O)C1=NC=C(F)C=C1 CS16150 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 MC428196 [0,1,0,0,0,0|2,0,0]=3 625 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 MC41822 [0,1,0,0,0,0|2,0,0]=3 626 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 CS19445 [0,1,0,0,0,0|2,0,0]=3 627 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 MC433210 [0,1,0,0,0,0|2,0,0]=3 628 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 CS20678 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.22 O=C(CBr)C1=CC=C(O)C=C1 CS10771 [0,1,0,0,0,0|2,0,0]=3 630 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 CS14324 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.22 O=C(CCl)C1=CC=C(F)C=C1 MC41236 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 CS15989 [0,1,0,0,0,0|1,0,1]=3 633 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 MC427408 [0,1,0,0,0,0|1,0,1]=3 634 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 CS20192 [0,1,0,0,0,0|1,0,1]=3 635 B11R1.22 O=CC(=O)C1=CC=C(O)C=C1 CS18120 [0,1,0,0,0,0|1,0,1]=3 636 B11R1.22 OCC(O)C1=CC=C(Br)C=C1 MC442284 [0,1,0,0,0,0|1,0,2]=4 637 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=C1 MC41228 [0,1,0,0,0,0|2,0,0]=3 638 B11R1.166 CC(=O)C1=C(Br)C=C(N)C=C1 MC433202 [0,1,0,0,0,0|1,0,0]=2 639 B11R1.166 CC(=O)C1=C(Br)C=C(O)C=C1 CS21355 [0,1,0,0,0,0|2,0,0]=3 640 B11R1.166 CC(=O)C1=C(C)C=C(C)N=C1 MC111201 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.166 CC(=O)C1=C(C)C=C(F)C=C1 MC41255 [0,1,0,0,0,0|2,0,0]=3 642 B11R1.166 CC(=O)C1=C(Cl)C=C(Br)C=C1 CS14036 [0,1,0,0,0,0|2,0,0]=3 643 B11R1.166 CC(=O)C1=C(Cl)C=C(Cl)C=C1 CS21093 [0,1,0,0,0,0|2,0,0]=3 644 B11R1.166 CC(=O)C1=C(Cl)C=C(F)C=C1 CS21444 [0,1,0,0,0,0|2,0,0]=3 645 B11R1.166 CC(=O)C1=C(Cl)C=C(N)C=C1 MC425453 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.166 CC(=O)C1=C(Cl)C=C(O)C=C1 CS20824 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.166 CC(=O)C1=C(F)C=C(Br)C=C1 CS20682 [0,1,0,0,0,0|2,0,0]=3 648 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 MC430999 [0,1,0,0,0,0|2,0,0]=3 649 B11R1.166 CC(=O)C1=C(F)C=C(Cl)C=C1 CS22739 [0,1,0,0,0,0|2,0,0]=3 650 B11R1.166 CC(=O)C1=C(F)C=C(F)C=C1 CS19013 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 CS16419 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.166 CC(=O)C1=C(N)C=C(F)C=C1 MC431781 [0,1,0,0,0,0|2,0,0]=3 653 B11R1.166 CC(=O)C1=C(O)C=C(Br)C=C1 CS22645 [0,1,0,0,0,0|2,0,0]=3 654 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 MC10406 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 MC10405 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.166 CC(=O)C1=C(O)C=C(N)C=C1 CS20409 [0,1,0,0,0,0|1,0,0]=2 657 B11R1.166 CC(=O)C1=C(O)C=C(O)C=C1 CS19678 [0,1,0,0,0,0|2,0,0]=3 658 B11R1.166 CC(=O)C1=CC=C(Cl)N=C1Cl CS13204 [0,1,0,0,0,0|3,0,0]=4 659 B11R1.166 CC(=O)C1=CC=C(F)N=C1F CS16677 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.166 CC(=O)C1=NC=C(F)C=C1Cl MC111197 [0,1,0,0,0,0|3,0,0]=4 661 B11R1.166 CC(=O)C1=NC=C(F)C=C1F CS15746 [0,1,0,0,0,0|3,0,0]=4 662 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.166 CC(O)C1=C(Cl)C=C(Cl)C=C1 MC40730 [0,1,0,0,0,0|2,0,1]=4 664 B11R1.166 CC1=C(B(O)O)C=CC(Cl)=C1 CS10504 [0,1,0,0,0,0|2,0,1]=4 665 B11R1.166 CC1=C(B(O)O)C=CC(O)=C1 MC21132 [0,1,0,0,0,0|2,0,1]=4 666 B11R1.166 CC1=C(C(=O)Cl)C=CC(F)=C1 MC40480 [0,1,0,0,0,0|2,0,0]=3 667 B11R1.166 CC1=C(C(=O)O)C=CC(=O)O1 MC427282 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.166 CC1=C(C(=O)O)C=CC(Br)=C1 CS15606 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=C1 CS22749 [0,1,0,0,0,0|1,0,0]=2 670 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 CS14724 [0,1,0,0,0,0|2,0,0]=3 671 B11R1.166 CC1=C(C(=O)O)C=CC(F)=C1 CS21999 [0,1,0,0,0,0|1,0,0]=2 672 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 CS19398 [0,1,0,0,0,0|2,0,0]=3 673 B11R1.166 CC1=C(C(=O)O)C=CC(N)=C1 CS18188 [0,1,0,0,0,0|0,0,0]=1 674 B11R1.166 CC1=C(C(=O)O)C=CC(O)=C1 CS12971 [0,1,0,0,0,0|1,0,0]=2 675 B11R1.166 CC1=C(C(N)=O)C=CC(Cl)=N1 MC106129 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.166 CC1=C([N+](=O)[O-])C=CC(Cl)=C1 CS20209 [0,1,0,0,0,0|2,0,1]=4 677 B11R1.166 CC1=C([N+](=O)[O-])C=CC(F)=C1 CS10444 [0,1,0,0,0,0|2,0,1]=4 678 B11R1.166 CC1=C([N+](=O)[O-])C=CC(I)=C1 MC429685 [0,1,0,0,0,0|2,0,1]=4 679 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=C1 MC40929 [0,1,0,0,0,0|1,0,1]=3 680 B11R1.166 CC1=C([N+](=O)[O-])C=CC(N)=N1 CS19491 [0,1,0,0,0,0|2,0,1]=4 681 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 CS12084 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS21362 [0,1,0,0,0,0|1,0,0]=2 683 B11R1.166 CC1=CC(Br)=C([N+](=O)[O-])C=C1 MC41504 [0,1,0,0,0,0|2,0,1]=4 684 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O CS17552 [0,1,0,0,0,0|2,0,0]=3 685 B11R1.166 CC1=CC(Br)=NC=C1C(=O)O MC431042 [0,1,0,0,0,0|2,0,0]=3 686 B11R1.166 CC1=CC(C)=C(B(O)O)C=C1 CS20463 [0,1,0,0,0,0|2,0,1]=4 687 B11R1.166 CC1=CC(C)=C(C(=O)Cl)C=C1 MC40470 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.166 CC1=CC(C)=NC=C1C(=O)O CS22514 [0,1,0,0,0,0|2,0,0]=3 690 B11R1.166 CC1=CC(Cl)=C(B(O)O)C=C1 CS13719 [0,1,0,0,0,0|2,0,1]=4 691 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS21449 [0,1,0,0,0,0|1,0,0]=2 692 B11R1.166 CC1=CC(Cl)=C([N+](=O)[O-])C=C1 CS10416 [0,1,0,0,0,0|2,0,1]=4 693 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [0,1,0,0,0,0|2,0,0]=3 694 B11R1.166 CC1=CC(Cl)=NC=C1C(=O)O MC425056 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.166 CC1=CC(F)=C(B(O)O)C=C1 CS20350 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 CS20842 [0,1,0,0,0,0|1,0,0]=2 697 B11R1.166 CC1=CC(F)=C([N+](=O)[O-])C=C1 CS10440 [0,1,0,0,0,0|2,0,1]=4 698 B11R1.166 CC1=CC(F)=CN=C1C(=O)O MC431877 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.166 CC1=CC(F)=NC=C1C(=O)O MC432072 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [0,1,0,0,0,0|1,0,0]=2 701 B11R1.166 CC1=CC(N)=C(C(N)=O)C=C1 CS20440 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.166 CC1=CC(N)=C([N+](=O)[O-])C=C1 CS20383 [0,1,0,0,0,0|2,0,1]=4 703 B11R1.166 CC1=CC(N)=NC=C1C(=O)O MC427212 [0,1,0,0,0,0|1,0,0]=2 704 B11R1.166 CC1=CC(N)=NC=C1[N+](=O)[O-] CS19489 [0,1,0,0,0,0|2,0,1]=4 705 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 MC115738 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 CS20948 [0,1,0,0,0,0|1,0,0]=2 707 B11R1.166 CC1=CC(O)=CC=C1[N+](=O)[O-] CS20328 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 CS15720 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 CS15178 [0,1,0,0,0,0|3,0,0]=4 710 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 MC103700 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 CS20205 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.166 CC1=NC(Cl)=CC=C1C(=O)Cl MC106019 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 CS15914 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 MC443338 [0,1,0,0,0,0|3,0,0]=4 715 B11R1.166 CC1=NC=C(C(=O)O)C(F)=C1 MC432353 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 CS12116 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.166 CC1=NC=C(C(=O)O)C(O)=C1 CS20333 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.166 NC(=O)C1=C(Br)C=C(Br)C=C1 MC433800 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.166 NC(=O)C1=C(Br)C=C(F)C=C1 MC430721 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.166 NC(=O)C1=C(Br)C=C(I)C=C1 MC432630 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.166 NC(=O)C1=C(Br)N=C(Cl)C=C1 MC108010 [0,1,0,0,0,0|3,0,0]=4 722 B11R1.166 NC(=O)C1=C(Cl)N=C(Br)C=C1 MC108015 [0,1,0,0,0,0|3,0,0]=4 723 B11R1.166 NC(=O)C1=C(N)C=C(Br)C=C1 MC111276 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.166 NC(=O)C1=C(N)C=C(Cl)C=C1 CS14625 [0,1,0,0,0,0|2,0,0]=3 725 B11R1.166 NC(=O)C1=C(N)C=C(F)C=C1 CS15300 [0,1,0,0,0,0|2,0,0]=3 726 B11R1.166 NC(=O)C1=C(N)C=C(O)C=C1 MC445681 [0,1,0,0,0,0|2,0,0]=3 727 B11R1.166 NC(=O)C1=C(N)N=C(Cl)C=C1 MC33289 [0,1,0,0,0,0|3,0,0]=4 728 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1Cl CS22508 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Br MC108014 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.166 NC(=O)C1=NC=C(Cl)C=C1Cl CS16870 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=C1 CS20180 [0,1,0,0,0,0|1,0,0]=2 732 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 MC432153 [0,1,0,0,0,0|2,0,0]=3 733 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=C1 CS20207 [0,1,0,0,0,0|1,0,0]=2 734 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 CS14921 [0,1,0,0,0,0|2,0,0]=3 735 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS21809 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.166 NC1=C(C(=O)O)C=CC(I)=C1 CS21253 [0,1,0,0,0,0|1,0,0]=2 737 B11R1.166 NC1=C(C(=O)O)C=CC(O)=C1 CS12851 [0,1,0,0,0,0|1,0,0]=2 738 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Br)=C1 CS14353 [0,1,0,0,0,0|2,0,1]=4 739 B11R1.166 NC1=C([N+](=O)[O-])C=CC(Cl)=C1 CS22972 [0,1,0,0,0,0|2,0,1]=4 740 B11R1.166 NC1=C([N+](=O)[O-])C=CC(F)=C1 CS21712 [0,1,0,0,0,0|2,0,1]=4 741 B11R1.166 NC1=C([N+](=O)[O-])C=CC(O)=C1 MC30063 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.166 NC1=CC(Br)=C([N+](=O)[O-])C=C1 CS12166 [0,1,0,0,0,0|1,0,1]=3 743 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O CS14395 [0,1,0,0,0,0|2,0,0]=3 744 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 CS10414 [0,1,0,0,0,0|0,0,0]=1 745 B11R1.166 NC1=CC(Cl)=C([N+](=O)[O-])C=C1 MC30279 [0,1,0,0,0,0|1,0,1]=3 746 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O MC429964 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.166 NC1=CC(F)=C(C(=O)O)C=C1 CS20227 [0,1,0,0,0,0|0,0,0]=1 748 B11R1.166 NC1=CC(F)=C([N+](=O)[O-])C=C1 CS19130 [0,1,0,0,0,0|1,0,1]=3 749 B11R1.166 NC1=CC(F)=NC=C1C(=O)O MC103397 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 CS22593 [0,1,0,0,0,0|0,0,0]=1 751 B11R1.166 NC1=CC(O)=NC=C1C(=O)O CS22578 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.166 NC1=NC(Cl)=C([N+](=O)[O-])C=C1 CS16013 [0,1,0,0,0,0|2,0,1]=4 753 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 MC442168 [0,1,0,0,0,0|2,0,0]=3 754 B11R1.166 NC1=NC=C([N+](=O)[O-])C(Br)=C1 MC103506 [0,1,0,0,0,0|2,0,1]=4 755 B11R1.166 NC1=NC=C([N+](=O)[O-])C(Cl)=C1 CS18187 [0,1,0,0,0,0|2,0,1]=4 756 B11R1.166 O=C(Cl)C1=C(F)C=C(Br)C=C1 MC40444 [0,1,0,0,0,0|2,0,0]=3 757 B11R1.166 O=C(Cl)C1=C(F)C=C(F)C=C1 MC40465 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.166 O=C(Cl)C1=CN=C(Cl)C=C1Cl MC427096 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=C1 CS21072 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.166 O=C(O)C1=C(Br)C=C(Cl)C=C1 CS19824 [0,1,0,0,0,0|1,0,0]=2 761 B11R1.166 O=C(O)C1=C(Br)C=C(F)C=C1 CS21353 [0,1,0,0,0,0|1,0,0]=2 762 B11R1.166 O=C(O)C1=C(Br)C=C(I)C=C1 CS15275 [0,1,0,0,0,0|1,0,0]=2 763 B11R1.166 O=C(O)C1=C(Br)N=C(F)C=C1 MC431766 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 CS10220 [0,1,0,0,0,0|1,0,0]=2 765 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 CS14611 [0,1,0,0,0,0|1,0,0]=2 766 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 MC40252 [0,1,0,0,0,0|1,0,0]=2 767 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 CS20109 [0,1,0,0,0,0|1,0,0]=2 768 B11R1.166 O=C(O)C1=C(Cl)N=C(Br)C=C1 MC432617 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.166 O=C(O)C1=C(Cl)N=C(Cl)C=C1 CS21796 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.166 O=C(O)C1=C(Cl)N=C(F)C=C1 MC431623 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.166 O=C(O)C1=C(Cl)N=C(O)C=C1 CS19029 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.166 O=C(O)C1=C(F)C=C(Br)C=C1 CS21987 [0,1,0,0,0,0|1,0,0]=2 773 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 MC40253 [0,1,0,0,0,0|1,0,0]=2 774 B11R1.166 O=C(O)C1=C(F)C=C(F)C=C1 MC40267 [0,1,0,0,0,0|1,0,0]=2 775 B11R1.166 O=C(O)C1=C(F)C=C(I)C=C1 CS21546 [0,1,0,0,0,0|1,0,0]=2 776 B11R1.166 O=C(O)C1=C(F)C=C(O)C=C1 CS10370 [0,1,0,0,0,0|1,0,0]=2 777 B11R1.166 O=C(O)C1=C(F)C=C(S)C=C1 MC106336 [0,1,0,0,0,0|1,0,0]=2 778 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 CS17032 [0,1,0,0,0,0|2,0,0]=3 779 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 CS22743 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.166 O=C(O)C1=C(I)C=C(F)C=C1 CS14997 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.166 O=C(O)C1=C(I)C=C(O)C=C1 MC442268 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.166 O=C(O)C1=C(O)C=C(Br)C=C1 MC30324 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.166 O=C(O)C1=C(O)C=C(Cl)C=C1 CS14628 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.166 O=C(O)C1=C(O)C=C(F)C=C1 CS14175 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 MC33215 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 CS15315 [0,1,0,0,0,0|2,0,0]=3 787 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br CS13280 [0,1,0,0,0,0|2,0,0]=3 788 B11R1.166 O=C(O)C1=CN=C(Br)C=C1Cl MC103222 [0,1,0,0,0,0|2,0,0]=3 789 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Br MC445336 [0,1,0,0,0,0|2,0,0]=3 790 B11R1.166 O=C(O)C1=CN=C(Cl)C=C1Cl CS15782 [0,1,0,0,0,0|2,0,0]=3 791 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl CS15170 [0,1,0,0,0,0|2,0,0]=3 792 B11R1.166 O=C(O)C1=CN=C(O)N=C1O CS13988 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br MC20838 [0,1,0,0,0,0|2,0,0]=3 794 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl MC31031 [0,1,0,0,0,0|2,0,0]=3 795 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F MC429610 [0,1,0,0,0,0|2,0,0]=3 796 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl CS21897 [0,1,0,0,0,0|2,0,0]=3 797 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl MC442260 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br MC429650 [0,1,0,0,0,0|2,0,0]=3 799 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl MC430828 [0,1,0,0,0,0|2,0,0]=3 800 B11R1.166 O=C(O)C1=NC=C(F)C=C1F MC429507 [0,1,0,0,0,0|2,0,0]=3 801 B11R1.166 O=C([O-])C1=C(F)C=C(F)C=C1 MC40347 [0,1,0,0,0,0|1,0,1]=3 802 B11R1.166 O=N(=O)c1ccc(Br)cc1I MC433481 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(Cl)C=C1 CS17246 [0,1,0,0,0,0|2,0,1]=4 804 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(F)C=C1 CS19701 [0,1,0,0,0,0|2,0,1]=4 805 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(I)C=C1 MC107324 [0,1,0,0,0,0|2,0,1]=4 806 B11R1.166 O=[N+]([O-])C1=C(Br)C=C(O)C=C1 MC106939 [0,1,0,0,0,0|2,0,1]=4 807 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(Cl)C=C1 CS21099 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.166 O=[N+]([O-])C1=C(Cl)C=C(O)C=C1 CS15925 [0,1,0,0,0,0|2,0,1]=4 809 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Br)C=C1 CS22858 [0,1,0,0,0,0|2,0,1]=4 810 B11R1.166 O=[N+]([O-])C1=C(F)C=C(Cl)C=C1 CS22874 [0,1,0,0,0,0|2,0,1]=4 811 B11R1.166 O=[N+]([O-])C1=C(F)C=C(I)C=C1 MC442308 [0,1,0,0,0,0|2,0,1]=4 812 B11R1.166 O=[N+]([O-])C1=C(F)C=C(O)C=C1 CS22937 [0,1,0,0,0,0|2,0,1]=4 813 B11R1.166 O=[N+]([O-])C1=C(I)C=C(F)C=C1 CS14620 [0,1,0,0,0,0|2,0,1]=4 814 B11R1.166 O=[N+]([O-])C1=C(I)C=C(O)C=C1 CS14969 [0,1,0,0,0,0|2,0,1]=4 815 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Br)C=C1 CS11843 [0,1,0,0,0,0|2,0,1]=4 816 B11R1.166 O=[N+]([O-])C1=C(O)C=C(Cl)C=C1 CS10570 [0,1,0,0,0,0|2,0,1]=4 817 B11R1.166 O=[N+]([O-])C1=C(O)C=C(F)C=C1 CS22940 [0,1,0,0,0,0|2,0,1]=4 818 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 MC442453 [0,1,0,0,0,0|2,0,1]=4 819 B11R1.166 O=[N+]([O-])c1ccc(F)cc1Cl CS22869 [0,1,0,0,0,0|2,0,1]=4 820 B11R1.166 O=[N+]([O-])c1ccc(F)cc1F CS18700 [0,1,0,0,0,0|2,0,1]=4 821 B11R1.166 OB(O)C1=C(Br)C=C(F)C=C1 MC431331 [0,1,0,0,0,0|2,0,1]=4 822 B11R1.166 OB(O)C1=C(Cl)C=C(Cl)C=C1 CS15602 [0,1,0,0,0,0|2,0,1]=4 823 B11R1.166 OB(O)C1=C(Cl)C=C(F)C=C1 MC20275 [0,1,0,0,0,0|2,0,1]=4 824 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 MC442907 [0,1,0,0,0,0|2,0,1]=4 825 B11R1.166 OB(O)C1=C(F)C=C(Cl)C=C1 MC20270 [0,1,0,0,0,0|2,0,1]=4 826 B11R1.166 OB(O)C1=C(F)C=C(F)C=C1 CS22948 [0,1,0,0,0,0|2,0,1]=4 827 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 MC441701 [0,1,0,0,0,0|2,0,1]=4 828 B11R1.166 OB(O)C1=C(O)C=C(Cl)C=C1 MC442026 [0,1,0,0,0,0|2,0,1]=4 829 B11R1.166 OB(O)C1=C(O)C=C(F)C=C1 MC441697 [0,1,0,0,0,0|2,0,1]=4 830 B11R2.34 CC1=CC=C(C2CO2)C=C1 MC112355 [0,0,0,1,0,0|2,0,1]=4 831 B11R2.34 NC1=CC=C(C2CC2)C=C1 CS17100 [0,0,0,1,0,0|2,0,1]=4 832 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,0,0,0,1,0|3,0,0]=4 833 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,0,0,0,1,0|3,0,0]=4 834 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,0,0,0,1,0|3,0,0]=4 835 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,0,0,0,1,0|3,0,0]=4 836 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,0,0,0,1,0|3,0,0]=4 837 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,0,0,0,1,0|3,0,0]=4 838 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,0,0,0,1,0|3,0,0]=4 839 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,0,0,0,1,0|3,0,0]=4 840 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,0,0,0,1,0|2,0,0]=3 841 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,0,0,0,1,0|3,0,0]=4 842 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,0,0,0,1,0|2,0,0]=3 843 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,0,0,0,1,0|2,0,0]=3 844 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,0,0,0,1,0|3,0,0]=4 845 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,0,0,0,1,0|2,0,0]=3 846 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,0,0,0,1,0|3,0,0]=4 847 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,0,0,0,1,0|3,0,0]=4 848 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,0,0,0,1,0|3,0,0]=4 849 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,0,0,0,1,0|3,0,0]=4 850 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,0,0,0,1,0|3,0,0]=4 851 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,0,0,0,1,0|3,0,0]=4 852 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,0,0,0,1,0|2,0,0]=3 853 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,0,0,0,1,0|3,0,0]=4 854 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,0,0,0,1,0|3,0,0]=4 855 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,0,0,0,1,0|2,0,0]=3 856 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,0,0,0,1,0|3,0,0]=4 857 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,0,0,0,1,0|3,0,0]=4 858 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,0,0,0,1,0|3,0,0]=4 859 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,0,0,0,1,0|2,0,0]=3 860 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,0,0,0,1,0|2,0,0]=3 861 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,0,0,0,1,0|2,0,0]=3 862 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,0,0,0,1,0|2,0,0]=3 863 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,0,0,0,1,0|2,0,0]=3 864 B9R1.35 NC1=NN=C(C(=O)O)S1 CS15409 [0,0,0,0,1,0|3,0,0]=4 865 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,0,0,0,1,0|3,0,0]=4 866 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,0,0,0,1,0|3,0,0]=4 867 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,0,0,0,1,0|2,0,0]=3 868 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,0,0,0,1,0|2,0,0]=3 869 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,0,0,0,1,0|2,0,0]=3 870 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,0,0,0,1,0|3,0,0]=4 871 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,0,0,0,1,0|3,0,0]=4 872 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,0,0,0,1,0|2,0,0]=3 873 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,0,0,0,1,0|2,0,0]=3 874 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,0,0,0,1,0|2,0,0]=3 875 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,0,0,0,1,0|2,0,0]=3 876 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,0,0,0,1,0|2,0,0]=3 877 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,0,0,0,1,0|3,0,0]=4 878 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,0,0,0,1,0|3,0,0]=4 879 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,0,0,0,1,0|2,0,0]=3 880 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,0,0,0,1,0|3,0,0]=4 881 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,0,0,0,1,0|2,0,0]=3 882 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,0,0,0,1,0|3,0,0]=4 883 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,0,0,0,1,0|2,0,0]=3 884 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,0,0,0,1,0|3,0,0]=4 885 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,0,0,0,1,0|3,0,0]=4 886 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,0,0,0,1,0|3,0,0]=4 887 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,0,0,0,1,0|3,0,0]=4 888 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,0,0,0,1,0|2,0,0]=3 889 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,0,0,0,0,1|2,0,0]=3 890 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,0,0,0,0,1|2,0,0]=3 891 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,0,0,0,0,1|2,0,0]=3 892 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,0,0,0,0,1|2,0,0]=3 893 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,0,0,0,0,1|3,0,0]=4 894 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,0,0,0,0,1|2,0,0]=3 895 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,0,0,0,0,1|2,0,0]=3 896 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,0,0,0,0,1|2,0,0]=3 897 B11R1.20 CC(C)OC1=CC=C(N)C=C1 CS10912 [0,0,0,0,0,1|2,0,1]=4 898 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,0,0,0,0,1|1,0,0]=2 899 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,0,0,0,0,1|2,0,0]=3 900 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,0,0,0,0,1|2,0,0]=3 901 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 MC442082 [0,0,0,0,0,1|3,0,0]=4 902 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,0,0,0,0,1|0,0,0]=1 903 B11R1.20 NC1=CC=C(OC(F)F)C=C1 CS13962 [0,0,0,0,0,1|2,0,1]=4 904 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 MC444153 [0,0,0,0,0,1|2,0,0]=3 905 B11R1.20 O=C(Cl)Oc1ccc(Br)cc1 MC434070 [0,0,0,0,0,1|2,0,0]=3 906 B11R1.20 O=C(Cl)Oc1ccc(F)cc1 MC434069 [0,0,0,0,0,1|2,0,0]=3 907 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,0,0,0,0,1|1,0,0]=2 908 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,0,0,0,0,1|1,0,0]=2 909 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,0,0,0,0,1|1,0,0]=2 910 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [0,0,0,0,0,1|2,0,0]=3 911 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,0,0,0,0,1|1,0,0]=2 912 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,0,0,0,0,1|1,0,0]=2 913 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,0,0,0,0,1|1,0,0]=2 914 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,0,0,0,0,1|2,0,0]=3 915 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 CS12143 [0,0,0,0,0,1|3,0,0]=4 916 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,0,0,0,0,1|2,0,0]=3 917 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 CS14652 [0,0,0,0,0,1|3,0,0]=4 918 B8R1.2 C#CC1=CC=CC=C1 CS19127 [2,0,0,0,0,0|1,0,1]=4 919 B8R1.2 CCC1=CC=CC=C1 MC41556 [2,0,0,0,0,0|1,0,1]=4 920 B8R1.2 CNC1=CC=CC=C1 CS11792 [2,0,0,0,0,0|2,0,0]=4 921 B8R1.2 COC1=CC=CC=C1 MC41309 [2,0,0,0,0,0|2,0,0]=4 922 B8R1.2 CSC1=CC=CC=C1 MC439137 [2,0,0,0,0,0|2,0,0]=4 923 B8R1.2 ICC1=CC=CC=C1 CS11000 [2,0,0,0,0,0|1,0,1]=4 924 B8R1.2 I[Zn]c1ccccc1 MC121332 [2,0,0,0,0,0|2,0,0]=4 925 B8R1.2 N#CC1=CC=CC=C1 MC40623 [2,0,0,0,0,0|1,0,1]=4 926 B8R1.2 N#Cc1ccccc1 CS13696 [2,0,0,0,0,0|1,0,1]=4 927 B8R1.2 NCC1=CC=CC=C1 MC40797 [2,0,0,0,0,0|1,0,1]=4 928 B8R1.2 NNC1=CC=CC=C1 CS15210 [2,0,0,0,0,0|2,0,0]=4 929 B8R1.2 NNC1=CC=CC=C1 MC427075 [2,0,0,0,0,0|2,0,0]=4 930 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 931 B8R1.2 O=CC1=CN=CC=C1 CS19090 [2,0,0,0,0,0|1,0,0]=3 932 B8R1.2 O=CC1=CN=CN=C1 CS19643 [2,0,0,0,0,0|2,0,0]=4 933 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 934 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 935 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 936 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 937 B8R1.2 O=NC1=CC=CC=C1 MC33163 [2,0,0,0,0,0|1,0,0]=3 938 B8R1.2 OCC1=CC=CC=C1 MC40684 [2,0,0,0,0,0|0,0,1]=3 939 B8R1.2 OCC1=CC=CN=C1 CS22409 [2,0,0,0,0,0|1,0,1]=4 940 B8R1.2 OCC1=CC=NC=C1 CS19163 [2,0,0,0,0,0|1,0,1]=4 941 B8R1.2 OCC1=NC=CC=C1 CS19164 [2,0,0,0,0,0|1,0,1]=4 942 B8R1.3 BrC1=CC=C(Br)C=C1 MC41477 [2,0,0,0,0,0|2,0,0]=4 943 B8R1.3 BrC1=CC=C(I)C=C1 CS22911 [2,0,0,0,0,0|2,0,0]=4 944 B8R1.3 CC1=CC=C(Br)C=C1 MC20922 [2,0,0,0,0,0|1,0,1]=4 945 B8R1.3 CC1=CC=C(C)C=C1 MC41551 [2,0,0,0,0,0|1,0,1]=4 946 B8R1.3 CC1=CC=C(F)C=C1 MC41520 [2,0,0,0,0,0|1,0,1]=4 947 B8R1.3 CC1=CC=C(I)C=C1 MC445763 [2,0,0,0,0,0|1,0,1]=4 948 B8R1.3 CC1=CC=C(N)C=C1 CS11898 [2,0,0,0,0,0|0,0,1]=3 949 B8R1.3 CC1=CC=C(N)C=N1 CS19519 [2,0,0,0,0,0|1,0,1]=4 950 B8R1.3 CC1=CC=C(O)C=C1 MC41204 [2,0,0,0,0,0|1,0,0]=3 951 B8R1.3 CC1=CC=C(O)C=N1 CS19501 [2,0,0,0,0,0|2,0,0]=4 952 B8R1.3 CC1=CC=C([S-])C=C1 MC112796 [2,0,0,0,0,0|1,0,1]=4 953 B8R1.3 CC1=CN=C(N)C=C1 CS21820 [2,0,0,0,0,0|1,0,1]=4 954 B8R1.3 CC1=CN=C(O)C=C1 CS16275 [2,0,0,0,0,0|2,0,0]=4 955 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [2,0,0,0,0,0|2,0,0]=4 956 B8R1.3 ClC1=CC=C(Br)C=C1 CS22677 [2,0,0,0,0,0|2,0,0]=4 957 B8R1.3 ClC1=CC=C(I)C=C1 CS19235 [2,0,0,0,0,0|2,0,0]=4 958 B8R1.3 FC1=CC=C(Br)C=C1 MC20092 [2,0,0,0,0,0|2,0,0]=4 959 B8R1.3 FC1=CC=C(Cl)C=C1 CS20666 [2,0,0,0,0,0|2,0,0]=4 960 B8R1.3 FC1=CC=C(F)C=C1 MC41485 [2,0,0,0,0,0|2,0,0]=4 961 B8R1.3 FC1=CC=C(I)C=C1 CS22840 [2,0,0,0,0,0|2,0,0]=4 962 B8R1.3 FC1=CC=C(S)C=C1 MC20299 [2,0,0,0,0,0|1,1,0]=4 963 B8R1.3 IC1=CC=C(I)C=C1 CS19213 [2,0,0,0,0,0|2,0,0]=4 964 B8R1.3 NC1=CC=C(Br)C=C1 MC40858 [2,0,0,0,0,0|1,0,0]=3 965 B8R1.3 NC1=CC=C(Br)C=C1 MC40859 [2,0,0,0,0,0|1,0,0]=3 966 B8R1.3 NC1=CC=C(Br)N=C1 CS21910 [2,0,0,0,0,0|2,0,0]=4 967 B8R1.3 NC1=CC=C(Cl)C=C1 CS18588 [2,0,0,0,0,0|1,0,0]=3 968 B8R1.3 NC1=CC=C(Cl)N=C1 CS21849 [2,0,0,0,0,0|2,0,0]=4 969 B8R1.3 NC1=CC=C(F)C=C1 CS19763 [2,0,0,0,0,0|1,0,0]=3 970 B8R1.3 NC1=CC=C(F)N=C1 CS22740 [2,0,0,0,0,0|2,0,0]=4 971 B8R1.3 NC1=CC=C(N)C=C1 CS18589 [2,0,0,0,0,0|1,0,0]=3 972 B8R1.3 NC1=CC=C(O)C=C1 MC41146 [2,0,0,0,0,0|0,0,0]=2 973 B8R1.3 NC1=CC=C(O)C=N1 CS13087 [2,0,0,0,0,0|1,0,0]=3 974 B8R1.3 NC1=CC=C(O)C=N1 CS18367 [2,0,0,0,0,0|1,0,0]=3 975 B8R1.3 NC1=CC=C(S)C=C1 MC20109 [2,0,0,0,0,0|0,1,0]=3 976 B8R1.3 NC1=CN=C(N)C=C1 CS15186 [2,0,0,0,0,0|2,0,0]=4 977 B8R1.3 NC1=CN=C(O)C=C1 CS10211 [2,0,0,0,0,0|1,0,0]=3 978 B8R1.3 NC1=CN=C(O)C=C1 CS18129 [2,0,0,0,0,0|1,0,0]=3 979 B8R1.3 NC1=CN=C(O)N=C1 MC444379 [2,0,0,0,0,0|2,0,0]=4 980 B8R1.3 NC1=CNC(=O)C=C1 CS15177 [2,0,0,0,0,0|1,0,0]=3 981 B8R1.3 NC1=NC=C(Br)C=C1 CS21813 [2,0,0,0,0,0|2,0,0]=4 982 B8R1.3 NC1=NC=C(Cl)C=C1 CS21816 [2,0,0,0,0,0|2,0,0]=4 983 B8R1.3 NC1=NC=C(F)C=C1 CS21818 [2,0,0,0,0,0|2,0,0]=4 984 B8R1.3 NC1=NC=C(I)C=C1 CS17736 [2,0,0,0,0,0|2,0,0]=4 985 B8R1.3 NC1=NC=C(O)C=N1 CS17222 [2,0,0,0,0,0|2,0,0]=4 986 B8R1.3 O=C1C=CC(=O)C=C1 CS20528 [2,0,0,0,0,0|1,0,0]=3 987 B8R1.3 O=C1C=CC(O)=CN1 CS15928 [2,0,0,0,0,0|2,0,0]=4 988 B8R1.3 OC1=CC=C(Br)C=C1 MC41163 [2,0,0,0,0,0|1,0,0]=3 989 B8R1.3 OC1=CC=C(Br)N=C1 CS14988 [2,0,0,0,0,0|2,0,0]=4 990 B8R1.3 OC1=CC=C(Cl)C=C1 CS22792 [2,0,0,0,0,0|1,0,0]=3 991 B8R1.3 OC1=CC=C(Cl)N=C1 CS21853 [2,0,0,0,0,0|2,0,0]=4 992 B8R1.3 OC1=CC=C(F)C=C1 MC41198 [2,0,0,0,0,0|1,0,0]=3 993 B8R1.3 OC1=CC=C(F)N=C1 CS14991 [2,0,0,0,0,0|2,0,0]=4 994 B8R1.3 OC1=CC=C(I)C=C1 MC20152 [2,0,0,0,0,0|1,0,0]=3 995 B8R1.3 OC1=CC=C(I)N=C1 MC107165 [2,0,0,0,0,0|2,0,0]=4 996 B8R1.3 OC1=CC=C(O)C=C1 MC41215 [2,0,0,0,0,0|1,0,0]=3 997 B8R1.3 OC1=CN=C(O)C=C1 CS21147 [2,0,0,0,0,0|2,0,0]=4 998 B8R1.3 OC1=NC=C(Br)C=C1 CS22706 [2,0,0,0,0,0|2,0,0]=4 999 B8R1.3 OC1=NC=C(F)C=C1 MC429397 [2,0,0,0,0,0|2,0,0]=4 1000 B8R1.3 OC1=NC=C(I)C=C1 CS13623 [2,0,0,0,0,0|2,0,0]=4 1001 B8R1.3 SC1=CC=C(Br)C=C1 MC20198 [2,0,0,0,0,0|1,1,0]=4 1002 B10R1.1 C=COC1=CC=C(I)C=C1 MC103309 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.1 CC1=CC=C(CCO)C=C1 MC40744 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.1 CCOC1=CC=C(N)C=C1 CS11879 [1,1,0,0,0,0|1,0,1]=4 1005 B10R1.1 N#CCC1=CC=C(N)C=C1 MC40751 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.1 NC1=CC=C(CCO)C=C1 CS13450 [1,1,0,0,0,0|0,0,1]=3 1007 B10R1.1 NCCC1=CC=C(N)C=C1 MC33045 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.1 O=C=NC1=CC=C(Br)C=C1 MC41032 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.1 O=C=NC1=CC=C(F)C=C1 MC33036 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.1 O=CCC1=CC=C(Br)C=C1 CS18203 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.1 O=CNC1=CC=C(Cl)C=C1 MC103067 [1,1,0,0,0,0|1,0,0]=3 1012 B10R1.1 OCCC1=CC=C(Br)C=C1 CS14491 [1,1,0,0,0,0|1,0,1]=4 1013 B10R1.1 OCCC1=CC=C(Cl)C=C1 CS22791 [1,1,0,0,0,0|1,0,1]=4 1014 B10R1.1 OCCC1=CC=C(F)C=C1 MC33200 [1,1,0,0,0,0|1,0,1]=4 1015 B10R1.1 OCCC1=CC=C(I)C=C1 CS12086 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.1 OCCC1=CC=C(O)C=C1 CS20458 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS21472 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.3 CCC1=CC=C(NN)C=C1 CS16126 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.3 COC1=CC=C(C=O)C=C1 CS18687 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.3 COC1=CC=C(CN)C=C1 CS18898 [1,1,0,0,0,0|2,0,0]=4 1021 B10R1.3 COC1=CC=C(CO)C=C1 CS22932 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.3 COC1=CC=C(NN)C=C1 CS19581 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.3 COC1=CN=C(C=O)C=C1 CS10425 [1,1,0,0,0,0|2,0,0]=4 1024 B10R1.3 COC1=NC=C(C=O)C=C1 CS20322 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.3 CSC1=CC=C(CN)C=C1 MC433900 [1,1,0,0,0,0|2,0,0]=4 1026 B10R1.3 N#CC1=CC=C(C=O)C=C1 CS13468 [1,1,0,0,0,0|0,0,1]=3 1027 B10R1.3 N#CC1=CC=C(CN)C=C1 CS19851 [1,1,0,0,0,0|1,0,1]=4 1028 B10R1.3 N#CC1=CC=C(CN)C=C1 MC40812 [1,1,0,0,0,0|1,0,1]=4 1029 B10R1.3 N#CC1=CC=C(NN)C=C1 CS20304 [1,1,0,0,0,0|1,0,1]=4 1030 B10R1.3 N#CC1=CN=C(C=O)C=C1 CS12973 [1,1,0,0,0,0|1,0,1]=4 1031 B10R1.3 N#CC1=NC=C(C=O)C=C1 CS13188 [1,1,0,0,0,0|1,0,1]=4 1032 B10R1.3 NCC1=CC=C(CO)C=C1 CS18290 [1,1,0,0,0,0|0,0,1]=3 1033 B10R1.3 O=CC1=CC=C(C=O)C=C1 CS11974 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.3 O=CC1=CC=C(CBr)C=C1 MC41097 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.3 O=CC1=CC=C(CO)C=C1 CS15415 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.3 O=NC1=CC=C(N=O)C=C1 MC21148 [1,1,0,0,0,0|1,0,1]=4 1037 B10R1.3 OCC1=CC=C(CBr)C=C1 CS20041 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.3 OCC1=CC=C(CO)C=C1 CS20456 [1,1,0,0,0,0|1,0,1]=4 1039 B10R1.25 C#CC1=C(F)C=C(N)C=C1 MC33531 [1,1,0,0,0,0|1,0,1]=4 1040 B10R1.25 CC1=C(C#N)C=CC(N)=C1 CS16661 [1,1,0,0,0,0|1,0,1]=4 1041 B10R1.25 CC1=C(C=O)C=CC(Br)=C1 CS22653 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.25 CC1=C(C=O)C=CC(Br)=N1 MC443390 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.25 CC1=C(C=O)C=CC(Cl)=C1 CS20823 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.25 CC1=C(C=O)C=CC(F)=C1 CS10809 [1,1,0,0,0,0|1,0,0]=3 1045 B10R1.25 CC1=C(C=O)C=CC(N)=N1 MC430302 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.25 CC1=C(C=O)C=CC(O)=C1 CS20933 [1,1,0,0,0,0|1,0,0]=3 1047 B10R1.25 CC1=C(CO)C=CC(Br)=C1 MC433849 [1,1,0,0,0,0|1,0,1]=4 1048 B10R1.25 CC1=CC(Br)=C(C=O)C=C1 CS20803 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.25 CC1=CC(Br)=CN=C1C=O MC428377 [1,1,0,0,0,0|2,0,0]=4 1050 B10R1.25 CC1=CC(C)=C(C=O)C=C1 CS21114 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.25 CC1=CC(Cl)=C(C=O)C=C1 CS21448 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.25 CC1=CC(F)=C(C=O)C=C1 MC41116 [1,1,0,0,0,0|1,0,0]=3 1053 B10R1.25 CC1=CC(N)=C(CO)C=C1 CS21019 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.25 CC1=CC(O)=C(C=O)C=C1 MC33188 [1,1,0,0,0,0|1,0,0]=3 1055 B10R1.25 CC1=CC=C(C=O)C(Br)=N1 MC111591 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.25 CCC1=C(Br)C=C(N)C=C1 MC33284 [1,1,0,0,0,0|1,0,1]=4 1057 B10R1.25 CCC1=C(Cl)C=C(N)C=C1 MC442501 [1,1,0,0,0,0|1,0,1]=4 1058 B10R1.25 COC1=C(Br)C=C(N)C=C1 MC20804 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.25 COC1=C(C)C=C(N)C=C1 CS18714 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.25 COC1=C(Cl)C=C(N)C=C1 CS14858 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.25 COC1=C(F)C=C(N)C=C1 CS10515 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.25 COC1=C(I)C=C(N)C=C1 CS18915 [1,1,0,0,0,0|2,0,0]=4 1063 B10R1.25 COC1=C(I)C=C(N)C=C1 CS19301 [1,1,0,0,0,0|2,0,0]=4 1064 B10R1.25 COC1=C(N)C=C(N)C=C1 CS21066 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.25 N#CC1=C(Br)C=C(N)C=C1 CS15118 [1,1,0,0,0,0|1,0,1]=4 1066 B10R1.25 N#CC1=C(F)C=C(N)C=C1 CS22548 [1,1,0,0,0,0|1,0,1]=4 1067 B10R1.25 N#CC1=C(O)C=C(N)C=C1 MC442238 [1,1,0,0,0,0|1,0,1]=4 1068 B10R1.25 NC1=C(C=O)C=CC(Br)=C1 CS21241 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.25 NC1=C(C=O)C=CC(Cl)=C1 CS17491 [1,1,0,0,0,0|1,0,0]=3 1070 B10R1.25 NC1=C(C=O)C=CC(F)=C1 MC30207 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.25 NC1=C(C=O)C=NC(Cl)=C1 MC432605 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.25 NC1=CC(Br)=CN=C1C=O MC103515 [1,1,0,0,0,0|2,0,0]=4 1073 B10R1.25 O=CC1=C(Br)C=C(Br)C=C1 CS16310 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.25 O=CC1=C(Br)C=C(Cl)C=C1 CS15142 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.25 O=CC1=C(Br)C=C(F)C=C1 CS10226 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.25 O=CC1=C(Br)C=C(I)C=C1 CS19853 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.25 O=CC1=C(Br)C=C(O)C=C1 CS16052 [1,1,0,0,0,0|1,0,0]=3 1078 B10R1.25 O=CC1=C(Br)N=C(Br)C=C1 MC442210 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.25 O=CC1=C(Cl)C=C(Br)C=C1 CS18762 [1,1,0,0,0,0|1,0,0]=3 1080 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 MC33212 [1,1,0,0,0,0|1,0,0]=3 1081 B10R1.25 O=CC1=C(Cl)C=C(F)C=C1 CS10260 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.25 O=CC1=C(Cl)C=C(O)C=C1 CS10340 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.25 O=CC1=C(Cl)N=C(Br)C=C1 MC432616 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.25 O=CC1=C(Cl)N=C(F)C=C1 MC431503 [1,1,0,0,0,0|2,0,0]=4 1085 B10R1.25 O=CC1=C(F)C=C(Br)C=C1 CS10231 [1,1,0,0,0,0|1,0,0]=3 1086 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 MC20030 [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.25 O=CC1=C(F)C=C(F)C=C1 CS18760 [1,1,0,0,0,0|1,0,0]=3 1088 B10R1.25 O=CC1=C(F)C=C(I)C=C1 CS10293 [1,1,0,0,0,0|1,0,0]=3 1089 B10R1.25 O=CC1=C(F)C=C(O)C=C1 CS10365 [1,1,0,0,0,0|1,0,0]=3 1090 B10R1.25 O=CC1=C(F)N=C(Cl)C=C1 MC429309 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.25 O=CC1=C(F)N=C(F)C=C1 MC431754 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.25 O=CC1=C(I)C=C(O)C=C1 CS16844 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.25 O=CC1=C(O)C=C(Br)C=C1 CS20081 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 CS20105 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.25 O=CC1=C(O)C=C(F)C=C1 CS20130 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.25 O=CC1=C(O)C=C(I)C=C1 MC425567 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.25 O=CC1=C(O)C=C(O)C=C1 CS19428 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.25 O=CC1=CC=C(Cl)N=C1Cl CS19136 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.25 O=CC1=CN=C(Br)C=C1Cl MC33235 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.25 O=CC1=CN=C(Cl)C=C1Cl CS16011 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.25 O=CC1=CN=C(F)C=C1Cl MC429245 [1,1,0,0,0,0|2,0,0]=4 1102 B10R1.25 O=CC1=CN=C(F)C=C1F MC429333 [1,1,0,0,0,0|2,0,0]=4 1103 B10R1.25 O=CC1=NC=C(Br)C=C1F MC104000 [1,1,0,0,0,0|2,0,0]=4 1104 B10R1.25 O=CC1=NC=C(Cl)C=C1Cl CS12974 [1,1,0,0,0,0|2,0,0]=4 1105 B10R1.25 O=CC1=NC=C(Cl)C=C1F MC431745 [1,1,0,0,0,0|2,0,0]=4 1106 B10R1.25 O=CC1=NC=C(F)C=C1Br MC432007 [1,1,0,0,0,0|2,0,0]=4 1107 B10R1.25 O=CC1=NC=C(F)C=C1F MC431534 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.25 OCC1=C(Br)C=C(Br)C=C1 CS21073 [1,1,0,0,0,0|1,0,1]=4 1109 B10R1.25 OCC1=C(Cl)C=C(Br)C=C1 MC427221 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.25 OCC1=C(F)C=C(Cl)C=C1 MC40693 [1,1,0,0,0,0|1,0,1]=4 1111 B10R1.25 OCC1=C(F)C=C(F)C=C1 MC33159 [1,1,0,0,0,0|1,0,1]=4 1112 B10R1.25 OCC1=C(F)C=C(O)C=C1 CS13215 [1,1,0,0,0,0|1,0,1]=4 1113 B10R1.25 OCC1=C(O)C=C(Br)C=C1 CS10248 [1,1,0,0,0,0|1,0,1]=4 1114 B10R1.176 C=CC1=CC(F)=C(F)C=C1 CS19052 [1,1,0,0,0,0|2,0,0]=4 1115 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 MC41096 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 MC431775 [1,1,0,0,0,0|2,0,0]=4 1117 B10R1.176 CC1=C(Br)C=C(CO)C=C1 MC33229 [1,1,0,0,0,0|1,0,1]=4 1118 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS22664 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.176 CC1=C(Br)C=CC(CO)=C1 MC111151 [1,1,0,0,0,0|1,0,1]=4 1120 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [1,1,0,0,0,0|1,0,0]=3 1121 B10R1.176 CC1=C(C)C=C(CO)C=C1 MC40706 [1,1,0,0,0,0|1,0,1]=4 1122 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 MC433130 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 MC433419 [1,1,0,0,0,0|1,0,0]=3 1124 B10R1.176 CC1=C(F)C=C(C=O)C=C1 MC33065 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.176 CC1=C(F)C=CC(C=O)=C1 MC41117 [1,1,0,0,0,0|1,0,0]=3 1126 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS12797 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.176 CC1=C(N)C=CC(C#N)=C1 CS20915 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.176 CC1=C(O)C=C(C=O)C=C1 MC41122 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [1,1,0,0,0,0|1,0,0]=3 1130 B10R1.176 CC1=CC(C=O)=CN=C1O MC442266 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.176 CC1=CN=C(C=O)C=C1Br MC102712 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.176 CC1=NC=C(C=O)C=C1F MC431247 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.176 CC1=NC=C(C=O)C=C1O MC430648 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.176 CCC1=CC(O)=C(N)C=C1 CS16266 [1,1,0,0,0,0|1,0,1]=4 1135 B10R1.176 COC1=CC(Br)=C(N)C=C1 CS21359 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.176 COC1=CC(C)=C(N)C=C1 CS13421 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.176 COC1=CC(Cl)=C(N)C=C1 CS14656 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.176 COC1=CC(F)=C(N)C=C1 MC40916 [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.176 COC1=CC(F)=C(N)C=C1 MC433345 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.176 COC1=CC(I)=C(N)C=C1 MC20577 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.176 COC1=CC(N)=C(N)C=C1 MC433373 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.176 COC1=CC(O)=C(N)C=C1 CS21584 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.176 Cn1ccc(C=O)cc1=O MC103763 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.176 N#CC1=CC(Br)=C(N)C=C1 MC40614 [1,1,0,0,0,0|1,0,1]=4 1145 B10R1.176 N#CC1=CC(Cl)=C(N)C=C1 MC40616 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.176 N#CC1=CC(F)=C(N)C=C1 CS10361 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.176 N#CC1=CC(I)=C(N)C=C1 CS12308 [1,1,0,0,0,0|1,0,1]=4 1148 B10R1.176 N#CC1=CC(N)=C(N)C=C1 CS20303 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.176 N#CC1=CC(O)=C(N)C=C1 CS22562 [1,1,0,0,0,0|1,0,1]=4 1150 B10R1.176 NC1=NC=C(C=O)C=C1Br MC432272 [1,1,0,0,0,0|1,0,0]=3 1151 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 MC430425 [1,1,0,0,0,0|1,0,0]=3 1152 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 CS12700 [1,1,0,0,0,0|1,0,0]=3 1153 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 CS10229 [1,1,0,0,0,0|1,0,0]=3 1154 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 MC20184 [1,1,0,0,0,0|1,0,0]=3 1155 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 CS12259 [1,1,0,0,0,0|1,0,0]=3 1156 B10R1.176 O=CC1=CC(Cl)=C(Cl)C=C1 CS19889 [1,1,0,0,0,0|1,0,0]=3 1157 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 MC20026 [1,1,0,0,0,0|1,0,0]=3 1158 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 CS10232 [1,1,0,0,0,0|1,0,0]=3 1159 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 CS10264 [1,1,0,0,0,0|1,0,0]=3 1160 B10R1.176 O=CC1=CC(F)=C(F)C=C1 CS14168 [1,1,0,0,0,0|1,0,0]=3 1161 B10R1.176 O=CC1=CC(F)=C(I)C=C1 CS10296 [1,1,0,0,0,0|1,0,0]=3 1162 B10R1.176 O=CC1=CC(F)=C(O)C=C1 CS10367 [1,1,0,0,0,0|1,0,0]=3 1163 B10R1.176 O=CC1=CC(I)=C(Br)C=C1 MC431061 [1,1,0,0,0,0|1,0,0]=3 1164 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 MC441220 [1,1,0,0,0,0|1,0,0]=3 1165 B10R1.176 O=CC1=CC(I)=C(F)C=C1 MC20286 [1,1,0,0,0,0|1,0,0]=3 1166 B10R1.176 O=CC1=CC(I)=C(I)C=C1 MC431060 [1,1,0,0,0,0|1,0,0]=3 1167 B10R1.176 O=CC1=CC(I)=C(O)C=C1 MC429971 [1,1,0,0,0,0|1,0,0]=3 1168 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 MC41092 [1,1,0,0,0,0|1,0,0]=3 1169 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 CS15259 [1,1,0,0,0,0|1,0,0]=3 1170 B10R1.176 O=CC1=CC(O)=C(F)C=C1 MC41115 [1,1,0,0,0,0|1,0,0]=3 1171 B10R1.176 O=CC1=CC(O)=C(O)C=C1 CS18720 [1,1,0,0,0,0|1,0,0]=3 1172 B10R1.176 O=CC1=CN=C(Br)C(F)=C1 CS18127 [1,1,0,0,0,0|2,0,0]=4 1173 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 MC33386 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.176 O=CC1=CNC(=O)C(Br)=C1 MC430621 [1,1,0,0,0,0|2,0,0]=4 1175 B10R1.176 O=CC1=CNC(=O)C(Cl)=C1 MC430658 [1,1,0,0,0,0|2,0,0]=4 1176 B10R1.176 OCC1=CC(Br)=C(Cl)C=C1 MC40686 [1,1,0,0,0,0|1,0,1]=4 1177 B10R1.176 OCC1=CC(Br)=C(O)C=C1 CS21356 [1,1,0,0,0,0|1,0,1]=4 1178 B10R1.176 OCC1=CC(Cl)=C(Cl)C=C1 CS18809 [1,1,0,0,0,0|1,0,1]=4 1179 B10R1.176 OCC1=CC(Cl)=C(F)C=C1 MC30274 [1,1,0,0,0,0|1,0,1]=4 1180 B10R1.176 OCC1=CC(F)=C(Br)C=C1 CS20190 [1,1,0,0,0,0|1,0,1]=4 1181 B10R1.176 OCC1=CC(F)=C(Cl)C=C1 MC40694 [1,1,0,0,0,0|1,0,1]=4 1182 B10R1.176 OCC1=CC(F)=C(F)C=C1 CS19362 [1,1,0,0,0,0|1,0,1]=4 1183 B10R1.176 OCC1=CC(O)=C(Br)C=C1 CS16027 [1,1,0,0,0,0|1,0,1]=4 1184 B10R1.176 OCC1=CC(O)=C(I)C=C1 MC33283 [1,1,0,0,0,0|1,0,1]=4 1185 B10R1.15 C=C(C#N)C1=CC=CC=C1 MC106124 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.15 C=C(CBr)C1=CC=CC=C1 CS20091 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.15 CC(NO)c1ccccc1 MC103844 [1,1,0,0,0,0|1,0,1]=4 1188 B10R1.15 CC(NO)c1ccccc1 MC103845 [1,1,0,0,0,0|1,0,1]=4 1189 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|0,0,0]=2 1192 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [1,1,0,0,0,0|1,0,0]=3 1194 B10R1.15 COC(=O)C1=CN=CC=C1 CS19425 [1,1,0,0,0,0|1,0,0]=3 1195 B10R1.15 COC(=O)C1=CN=CN=C1 MC444563 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [1,1,0,0,0,0|2,0,0]=4 1199 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [1,1,0,0,0,0|2,0,0]=4 1200 B10R1.15 NC(CO)C1=CC=CC=C1 CS10553 [1,1,0,0,0,0|1,0,1]=4 1201 B10R1.15 NC(CO)C1=CC=CC=C1 CS10555 [1,1,0,0,0,0|1,0,1]=4 1202 B10R1.15 NC(CO)C1=CC=CC=C1 CS15860 [1,1,0,0,0,0|1,0,1]=4 1203 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,1,0,0,0,0|1,0,0]=3 1204 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [1,1,0,0,0,0|2,0,0]=4 1205 B10R1.15 NCC(O)C1=CC=CC=C1 CS20485 [1,1,0,0,0,0|1,0,1]=4 1206 B10R1.15 NCC(O)C1=CC=CC=C1 MC444625 [1,1,0,0,0,0|1,0,1]=4 1207 B10R1.15 NNC(=O)C1=CC=CC=C1 CS10971 [1,1,0,0,0,0|1,0,0]=3 1208 B10R1.15 NNC(=O)C1=CN=CC=C1 CS19488 [1,1,0,0,0,0|2,0,0]=4 1209 B10R1.15 NNC(=O)c1ccncc1 MC445177 [1,1,0,0,0,0|2,0,0]=4 1210 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.15 O=C(CBr)C1=CC=CN=C1 MC42216 [1,1,0,0,0,0|2,0,0]=4 1212 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [1,1,0,0,0,0|2,0,0]=4 1213 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.15 OC(CBr)C1=CC=CC=C1 CS18840 [1,1,0,0,0,0|1,0,1]=4 1216 B10R1.15 OCC(F)C1=CC=CC=C1 MC430923 [1,1,0,0,0,0|1,0,1]=4 1217 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 CS14803 [1,1,0,0,0,0|2,0,0]=4 1218 B10R1.28 CS(=O)(=O)C1=CC=CC=C1 MC100403 [1,1,0,0,0,0|1,0,1]=4 1219 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 CS10507 [1,1,0,0,0,0|1,0,1]=4 1220 B10R1.28 O=P(Cl)(Cl)C1=CC=CC=C1 MC20369 [1,1,0,0,0,0|2,0,0]=4 1221 B10R1.28 O=S(=O)(O)C1=CC=CN=C1 CS15426 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.28 O=S(=O)(O)C1=CC=NC=C1 MC111106 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CS19698 [1,1,0,0,0,0|1,0,1]=4 1224 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,1,0,0,0,0|1,0,0]=3 1225 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,1,0,0,0,0|1,0,0]=3 1226 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,1,0,0,0,0|1,0,0]=3 1227 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,1,0,0,0,0|1,0,0]=3 1228 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,1,0,0,0,0|1,0,0]=3 1230 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,1,0,0,0,0|1,0,0]=3 1232 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.61 CC(=O)C1=CC=CN=C1Br CS18506 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.61 CC(=O)C1=CC=CN=C1Cl CS18365 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.61 CC(=O)C1=CC=CN=C1O MC427454 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [1,1,0,0,0,0|2,0,0]=4 1239 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.61 CC(O)C1=C(Cl)C=CC=C1 CS13547 [1,1,0,0,0,0|1,0,1]=4 1241 B10R1.61 CC(O)C1=C(F)C=CC=C1 CS15513 [1,1,0,0,0,0|1,0,1]=4 1242 B10R1.61 CC(O)C1=C(F)C=CC=C1 MC33138 [1,1,0,0,0,0|1,0,1]=4 1243 B10R1.61 CC1=C(B(O)O)C=CC=C1 CS20397 [1,1,0,0,0,0|1,0,1]=4 1244 B10R1.61 CC1=C(C(=O)O)C=CC=C1 CS19823 [1,1,0,0,0,0|0,0,0]=2 1245 B10R1.61 CC1=C(C(=O)O)C=CC=N1 CS18975 [1,1,0,0,0,0|1,0,0]=3 1246 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [1,1,0,0,0,0|1,0,0]=3 1247 B10R1.61 CC1=C(C(=O)O)C=CN=N1 MC104787 [1,1,0,0,0,0|2,0,0]=4 1248 B10R1.61 CC1=C(C(=O)O)N=NC=C1 MC104743 [1,1,0,0,0,0|2,0,0]=4 1249 B10R1.61 CC1=C(C(N)=O)C=CC=N1 CS22408 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.61 CC1=C(C(N)=O)C=NC=C1 MC33526 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.61 CC1=C([N+](=O)[O-])C=CC=C1 MC41522 [1,1,0,0,0,0|1,0,1]=4 1252 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [1,1,0,0,0,0|1,0,0]=3 1253 B10R1.61 CC1=CC=NC=C1C(=O)O CS22976 [1,1,0,0,0,0|1,0,0]=3 1254 B10R1.61 CC1=CC=NC=C1C(=O)O CS22977 [1,1,0,0,0,0|1,0,0]=3 1255 B10R1.61 CC1=CN=NC=C1C(=O)O MC101944 [1,1,0,0,0,0|2,0,0]=4 1256 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [1,1,0,0,0,0|2,0,0]=4 1257 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 CS20174 [1,1,0,0,0,0|1,0,0]=3 1258 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 CS21404 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.61 NC(=O)C1=C(F)C=CC=C1 MC41021 [1,1,0,0,0,0|1,0,0]=3 1261 B10R1.61 NC(=O)C1=C(I)C=CC=C1 MC433808 [1,1,0,0,0,0|1,0,0]=3 1262 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.61 NC(=O)C1=C(N)N=CC=C1 CS22407 [1,1,0,0,0,0|2,0,0]=4 1264 B10R1.61 NC(=O)C1=C(O)C=CC=C1 CS11941 [1,1,0,0,0,0|1,0,0]=3 1265 B10R1.61 NC(=O)C1=CC=CN=C1Cl CS19049 [1,1,0,0,0,0|2,0,0]=4 1266 B10R1.61 NC(=O)C1=CN=CC=C1Cl CS22796 [1,1,0,0,0,0|2,0,0]=4 1267 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.61 NC1=C(B(O)O)C=CC=C1 CS19508 [1,1,0,0,0,0|1,0,1]=4 1269 B10R1.61 NC1=C(C(=O)O)C=CC=N1 CS21827 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [1,1,0,0,0,0|1,0,0]=3 1271 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [1,1,0,0,0,0|1,0,0]=3 1272 B10R1.61 NC1=C(C(=O)O)C=CN=N1 CS18162 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.61 NC1=C(C(=O)O)N=NC=C1 MC427245 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.61 NC1=C([N+](=O)[O-])C=CC=C1 MC40933 [1,1,0,0,0,0|1,0,1]=4 1275 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [1,1,0,0,0,0|1,0,0]=3 1276 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [1,1,0,0,0,0|1,0,0]=3 1277 B10R1.61 NC1=CC=NC=C1C(=O)O CS21982 [1,1,0,0,0,0|1,0,0]=3 1278 B10R1.61 NC1=NC=CN=C1C(=O)O CS22108 [1,1,0,0,0,0|2,0,0]=4 1279 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 MC40438 [1,1,0,0,0,0|1,0,0]=3 1280 B10R1.61 O=C(Cl)C1=C(F)C=CC=C1 MC40472 [1,1,0,0,0,0|1,0,0]=3 1281 B10R1.61 O=C(Cl)C1=C(I)C=CC=C1 CS19188 [1,1,0,0,0,0|1,0,0]=3 1282 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 CS16216 [1,1,0,0,0,0|0,0,0]=2 1283 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [1,1,0,0,0,0|1,0,0]=3 1284 B10R1.61 O=C(O)C1=C(Br)N=CC=C1 CS22912 [1,1,0,0,0,0|1,0,0]=3 1285 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [1,1,0,0,0,0|1,0,0]=3 1286 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 CS18848 [1,1,0,0,0,0|1,0,0]=3 1287 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS10366 [1,1,0,0,0,0|0,0,0]=2 1288 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [1,1,0,0,0,0|1,0,0]=3 1289 B10R1.61 O=C(O)C1=C(F)N=CC=C1 CS18890 [1,1,0,0,0,0|1,0,0]=3 1290 B10R1.61 O=C(O)C1=C(I)C=CC=C1 CS20137 [1,1,0,0,0,0|0,0,0]=2 1291 B10R1.61 O=C(O)C1=C(I)N=CC=C1 MC443233 [1,1,0,0,0,0|1,0,0]=3 1292 B10R1.61 O=C(O)C1=C(O)C=CC=C1 MC40289 [1,1,0,0,0,0|0,0,0]=2 1293 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [1,1,0,0,0,0|1,0,0]=3 1294 B10R1.61 O=C(O)C1=C(S)C=CC=C1 MC40297 [1,1,0,0,0,0|0,0,0]=2 1295 B10R1.61 O=C(O)C1=CC=CNC1=O CS19183 [1,1,0,0,0,0|1,0,0]=3 1296 B10R1.61 O=C(O)C1=CN=CC=C1Br MC10387 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.61 O=C(O)C1=CN=CC=C1Cl CS18850 [1,1,0,0,0,0|1,0,0]=3 1298 B10R1.61 O=C(O)C1=CN=CC=C1I MC442349 [1,1,0,0,0,0|1,0,0]=3 1299 B10R1.61 O=C(O)C1=CN=CC=C1O CS15271 [1,1,0,0,0,0|1,0,0]=3 1300 B10R1.61 O=C(O)C1=CN=CN=C1O CS12936 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [1,1,0,0,0,0|1,0,0]=3 1302 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [1,1,0,0,0,0|1,0,0]=3 1303 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [1,1,0,0,0,0|1,0,0]=3 1304 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [1,1,0,0,0,0|1,0,0]=3 1305 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [1,1,0,0,0,0|1,0,0]=3 1306 B10R1.61 O=C(O)C1=NC=CN=C1Br CS12631 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.61 O=C(O)C1=NC=CN=C1Cl CS17325 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.61 O=C(O)C1=NC=CN=C1I CS14926 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.61 O=C(O)C1=NC=CN=C1O CS17542 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 MC40335 [1,1,0,0,0,0|0,0,1]=3 1312 B10R1.61 O=C([O-])C1=C(F)C=CC=C1 MC40349 [1,1,0,0,0,0|0,0,1]=3 1313 B10R1.61 O=[N+]([O-])C1=C(Br)C=CC=C1 CS22913 [1,1,0,0,0,0|1,0,1]=4 1314 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 CS21724 [1,1,0,0,0,0|1,0,1]=4 1315 B10R1.61 O=[N+]([O-])c1ccccc1F MC41584 [1,1,0,0,0,0|1,0,1]=4 1316 B10R1.61 O=[N+]([O-])c1ccccc1F MC433531 [1,1,0,0,0,0|1,0,1]=4 1317 B10R1.61 O=[N+]([O-])c1ccccc1I MC41585 [1,1,0,0,0,0|1,0,1]=4 1318 B10R1.61 OB(O)C1=C(Br)C=CC=C1 CS21842 [1,1,0,0,0,0|1,0,1]=4 1319 B10R1.61 OB(O)C1=C(Cl)C=CC=C1 CS19224 [1,1,0,0,0,0|1,0,1]=4 1320 B10R1.61 OB(O)C1=C(F)C=CC=C1 CS16291 [1,1,0,0,0,0|1,0,1]=4 1321 B10R1.61 OB(O)C1=C(I)C=CC=C1 MC443194 [1,1,0,0,0,0|1,0,1]=4 1322 B10R1.61 OB(O)C1=C(O)C=CC=C1 CS21880 [1,1,0,0,0,0|1,0,1]=4 1323 B10R1.61 OB(O)C1=C(S)C=CC=C1 MC100433 [1,1,0,0,0,0|1,0,1]=4 1324 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [1,1,0,0,0,0|1,0,0]=3 1325 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [1,1,0,0,0,0|1,0,0]=3 1329 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [1,1,0,0,0,0|2,0,0]=4 1330 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [1,1,0,0,0,0|1,0,0]=3 1331 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [1,1,0,0,0,0|2,0,0]=4 1332 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [1,1,0,0,0,0|1,0,0]=3 1333 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [1,1,0,0,0,0|1,0,0]=3 1334 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [1,1,0,0,0,0|1,0,0]=3 1335 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [1,1,0,0,0,0|1,0,0]=3 1336 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [1,1,0,0,0,0|2,0,0]=4 1338 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [1,1,0,0,0,0|2,0,0]=4 1339 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [1,1,0,0,0,0|2,0,0]=4 1340 B10R1.113 CC(O)C1=CC(Br)=CC=C1 MC40729 [1,1,0,0,0,0|1,0,1]=4 1341 B10R1.113 CC(O)C1=CC(F)=CC=C1 MC433887 [1,1,0,0,0,0|1,0,1]=4 1342 B10R1.113 CC(O)C1=CC(N)=CC=C1 CS21787 [1,1,0,0,0,0|1,0,1]=4 1343 B10R1.113 CC1=CC(B(O)O)=CC=C1 CS10529 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [1,1,0,0,0,0|1,0,0]=3 1345 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [1,1,0,0,0,0|1,0,0]=3 1346 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [1,1,0,0,0,0|2,0,0]=4 1347 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [1,1,0,0,0,0|2,0,0]=4 1348 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [1,1,0,0,0,0|1,0,0]=3 1349 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [1,1,0,0,0,0|0,0,0]=2 1350 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [1,1,0,0,0,0|1,0,0]=3 1351 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [1,1,0,0,0,0|0,1,0]=3 1352 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [1,1,0,0,0,0|2,0,0]=4 1353 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [1,1,0,0,0,0|2,0,0]=4 1354 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [1,1,0,0,0,0|1,0,0]=3 1355 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [1,1,0,0,0,0|2,0,0]=4 1356 B10R1.113 N=C(N)C1=CC(Br)=CC=C1 CS20273 [1,1,0,0,0,0|2,0,0]=4 1357 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [1,1,0,0,0,0|1,0,0]=3 1358 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [1,1,0,0,0,0|2,0,0]=4 1359 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [1,1,0,0,0,0|1,0,0]=3 1360 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [1,1,0,0,0,0|2,0,0]=4 1361 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [1,1,0,0,0,0|2,0,0]=4 1362 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [1,1,0,0,0,0|2,0,0]=4 1363 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [1,1,0,0,0,0|2,0,0]=4 1364 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [1,1,0,0,0,0|2,0,0]=4 1365 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [1,1,0,0,0,0|2,0,0]=4 1366 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [1,1,0,0,0,0|1,0,0]=3 1367 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [1,1,0,0,0,0|1,0,0]=3 1368 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.113 NC1=CC([N+](=O)[O-])=CC=C1 CS22379 [1,1,0,0,0,0|1,0,1]=4 1370 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS11047 [1,1,0,0,0,0|1,0,1]=4 1371 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS18152 [1,1,0,0,0,0|1,0,1]=4 1372 B10R1.113 NC1=CC=CC(B(O)O)=C1 CS19512 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.113 NC1=CC=CC(B(O)O)=C1 MC20897 [1,1,0,0,0,0|1,0,1]=4 1374 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [1,1,0,0,0,0|0,0,0]=2 1375 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [1,1,0,0,0,0|1,0,0]=3 1376 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [1,1,0,0,0,0|2,0,0]=4 1377 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [1,1,0,0,0,0|1,0,0]=3 1378 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [1,1,0,0,0,0|2,0,0]=4 1379 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [1,1,0,0,0,0|1,0,0]=3 1380 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [1,1,0,0,0,0|1,0,0]=3 1381 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [1,1,0,0,0,0|1,0,0]=3 1382 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [1,1,0,0,0,0|2,0,0]=4 1383 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [1,1,0,0,0,0|0,0,0]=2 1384 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [1,1,0,0,0,0|1,0,0]=3 1385 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [1,1,0,0,0,0|0,0,0]=2 1386 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [1,1,0,0,0,0|1,0,0]=3 1387 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [1,1,0,0,0,0|0,0,0]=2 1388 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [1,1,0,0,0,0|1,0,0]=3 1389 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [1,1,0,0,0,0|0,0,0]=2 1390 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [1,1,0,0,0,0|0,0,0]=2 1391 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [1,1,0,0,0,0|0,0,0]=2 1392 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [1,1,0,0,0,0|1,0,0]=3 1393 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [1,1,0,0,0,0|1,0,0]=3 1394 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [1,1,0,0,0,0|1,0,0]=3 1396 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 CS17230 [1,1,0,0,0,0|2,0,0]=4 1397 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [1,1,0,0,0,0|1,0,0]=3 1398 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [1,1,0,0,0,0|2,0,0]=4 1399 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [1,1,0,0,0,0|2,0,0]=4 1400 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [1,1,0,0,0,0|1,0,0]=3 1401 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [1,1,0,0,0,0|1,0,0]=3 1404 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [1,1,0,0,0,0|1,0,0]=3 1405 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [1,1,0,0,0,0|1,0,0]=3 1406 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [1,1,0,0,0,0|1,0,0]=3 1407 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [1,1,0,0,0,0|1,0,0]=3 1408 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [1,1,0,0,0,0|1,0,0]=3 1409 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [1,1,0,0,0,0|1,0,0]=3 1410 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [1,1,0,0,0,0|2,0,0]=4 1411 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [1,1,0,0,0,0|0,0,1]=3 1413 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [1,1,0,0,0,0|0,0,1]=3 1414 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [1,1,0,0,0,0|1,0,1]=4 1415 B10R1.113 O=C1C=C(C(=O)O)C=NN1 CS22119 [1,1,0,0,0,0|2,0,0]=4 1416 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=C1 CS20650 [1,1,0,0,0,0|1,0,1]=4 1419 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=C1 CS20664 [1,1,0,0,0,0|1,0,1]=4 1420 B10R1.113 O=[N+]([O-])C1=CC=CC(F)=C1 CS20684 [1,1,0,0,0,0|1,0,1]=4 1421 B10R1.113 O=[N+]([O-])C1=CC=CC(I)=C1 CS19240 [1,1,0,0,0,0|1,0,1]=4 1422 B10R1.113 O=[N+]([O-])C1=CC=CC(O)=C1 CS22383 [1,1,0,0,0,0|1,0,1]=4 1423 B10R1.113 OB(O)C1=CC(Br)=CC=C1 CS19219 [1,1,0,0,0,0|1,0,1]=4 1424 B10R1.113 OB(O)C1=CC(Cl)=CC=C1 CS22999 [1,1,0,0,0,0|1,0,1]=4 1425 B10R1.113 OB(O)C1=CC(F)=CC=C1 CS21930 [1,1,0,0,0,0|1,0,1]=4 1426 B10R1.113 OB(O)C1=CC(O)=CC=C1 MC440047 [1,1,0,0,0,0|1,0,1]=4 1427 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [0,1,0,0,1,0|2,0,0]=4 1428 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [0,1,0,0,1,0|2,0,0]=4 1429 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [0,1,0,0,1,0|2,0,0]=4 1430 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [0,1,0,0,1,0|2,0,0]=4 1431 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,1,0,0,1,0|2,0,0]=4 1432 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,1,0,0,1,0|2,0,0]=4 1433 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,1,0,0,1,0|2,0,0]=4 1434 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,1,0,0,1,0|2,0,0]=4 1435 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,1,0,0,1,0|2,0,0]=4 1436 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [0,1,0,0,1,0|2,0,0]=4 1437 B10R1.14 COC(=O)C1=CNC(Br)=C1 MC428134 [0,1,0,0,1,0|2,0,0]=4 1438 B10R1.14 COC(=O)C1=CSC(Br)=C1 MC441052 [0,1,0,0,1,0|2,0,0]=4 1439 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [0,1,0,0,1,0|2,0,0]=4 1440 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [0,1,0,0,1,0|2,0,0]=4 1441 B10R1.31 N#CC1=CC=C(C(=O)O)O1 MC114976 [0,1,0,0,1,0|1,0,1]=4 1442 B10R1.31 N#CC1=CC=C(C(=O)O)S1 CS14026 [0,1,0,0,1,0|1,0,1]=4 1443 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,1,0,0,1,0|2,0,0]=4 1444 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [0,1,0,0,1,0|2,0,0]=4 1445 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [0,1,0,0,1,0|2,0,0]=4 1446 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,1,0,0,1,0|2,0,0]=4 1447 B10R1.58 CN1N=C(C(=O)O)C=C1N MC102000 [0,1,0,0,1,0|2,0,0]=4 1448 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,1,0,0,1,0|1,0,0]=3 1449 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,1,0,0,1,0|2,0,0]=4 1450 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,1,0,0,1,0|2,0,0]=4 1451 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [0,1,0,0,1,0|2,0,0]=4 1452 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 CS21256 [0,1,0,0,1,0|2,0,0]=4 1453 B10R1.59 NC1=NC(C(=O)O)=C(Cl)S1 MC107862 [0,1,0,0,1,0|2,0,0]=4 1454 B10R1.59 NC1=NC(Cl)=C(C(=O)O)S1 MC110584 [0,1,0,0,1,0|2,0,0]=4 1455 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 MC441262 [0,1,0,0,1,0|2,0,0]=4 1456 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 MC441012 [0,1,0,0,1,0|2,0,0]=4 1457 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 CS17244 [0,1,0,0,1,0|2,0,0]=4 1458 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 MC430778 [0,1,0,0,1,0|2,0,0]=4 1459 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [0,1,0,0,1,0|2,0,0]=4 1460 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,1,0,0,1,0|2,0,0]=4 1461 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [0,1,0,0,1,0|2,0,0]=4 1462 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [0,1,0,0,1,0|2,0,0]=4 1463 B10R1.194 NC1=NNC(C(=O)O)=C1Cl CS15067 [0,1,0,0,1,0|2,0,0]=4 1464 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 MC104432 [0,1,0,0,1,0|2,0,0]=4 1465 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS22530 [0,1,0,0,0,1|1,0,1]=4 1466 B12R1.4 CC(=O)OC1=CC=C(C=O)C=C1 MC40005 [0,1,0,0,0,1|2,0,0]=4 1467 B12R1.4 CCC1=CC=C(CC(C)=O)C=C1 MC20892 [0,1,0,0,0,1|2,0,0]=4 1468 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 CS13446 [0,1,0,0,0,1|1,0,0]=3 1469 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 CS11110 [0,1,0,0,0,1|2,0,0]=4 1470 B12R1.4 COC1=CC=C(NC(C)=O)C=C1 MC427407 [0,1,0,0,0,1|2,0,0]=4 1471 B12R1.4 COC1=CC=C(OC(=O)Cl)C=C1 MC40014 [0,1,0,0,0,1|2,0,0]=4 1472 B12R1.4 N#CC1=CC=C(CC(=O)O)C=C1 CS18357 [0,1,0,0,0,1|0,0,1]=3 1473 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 CS16100 [0,1,0,0,0,1|0,0,0]=2 1474 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 MC40138 [0,1,0,0,0,1|0,0,0]=2 1475 B12R1.4 O=C(O)CC1=CC=C(CBr)C=C1 MC40152 [0,1,0,0,0,1|1,0,0]=3 1476 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 MC431953 [0,1,0,0,0,1|1,0,0]=3 1477 B12R1.19 CC(=O)Nc1ccc(C)c(C)c1 MC40962 [0,1,0,0,0,1|2,0,0]=4 1478 B12R1.19 CC(=O)Nc1ccc(F)c(F)c1 MC40961 [0,1,0,0,0,1|2,0,0]=4 1479 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [0,1,0,0,0,1|2,0,0]=4 1480 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [0,1,0,0,0,1|1,0,0]=3 1481 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [0,1,0,0,0,1|1,0,0]=3 1482 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [0,1,0,0,0,1|1,0,0]=3 1483 B12R1.19 CC1=C(F)C=CC([ClH]C(=O)[O-])=C1 MC30266 [0,1,0,0,0,1|1,0,1]=4 1484 B12R1.19 NC(=O)NC1=CC(Cl)=C(Cl)C=C1 CS20402 [0,1,0,0,0,1|2,0,0]=4 1485 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS18834 [0,1,0,0,0,1|1,0,0]=3 1486 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 MC40146 [0,1,0,0,0,1|1,0,0]=3 1487 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 CS20693 [0,1,0,0,0,1|1,0,0]=3 1488 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS10724 [0,1,0,0,0,1|1,0,0]=3 1489 B12R1.19 O=C(O)CC1=CC(F)=C(Br)C=C1 CS12651 [0,1,0,0,0,1|1,0,0]=3 1490 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 CS22756 [0,1,0,0,0,1|1,0,0]=3 1491 B12R1.19 O=C(O)CC1=CC(F)=C(F)C=C1 MC40163 [0,1,0,0,0,1|1,0,0]=3 1492 B12R1.19 O=C(O)CC1=CC(F)=C(O)C=C1 MC40167 [0,1,0,0,0,1|1,0,0]=3 1493 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 CS20953 [0,1,0,0,0,1|1,0,0]=3 1494 B12R1.20 CC(C(=O)O)C1=CC=C(F)C=C1 CS12331 [0,1,0,0,0,1|1,0,0]=3 1495 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 CS20887 [0,1,0,0,0,1|1,0,0]=3 1496 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS10846 [0,1,0,0,0,1|1,0,0]=3 1497 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS15576 [0,1,0,0,0,1|1,0,0]=3 1498 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS19207 [0,1,0,0,0,1|1,0,0]=3 1499 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC20331 [0,1,0,0,0,1|1,0,0]=3 1500 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429561 [0,1,0,0,0,1|1,0,0]=3 1501 B12R1.20 NC(C(=O)O)C1=CC=C(F)C=C1 MC429563 [0,1,0,0,0,1|1,0,0]=3 1502 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS21023 [0,1,0,0,0,1|1,0,0]=3 1503 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 CS15974 [0,1,0,0,0,1|1,0,0]=3 1504 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 MC40142 [0,1,0,0,0,1|1,0,0]=3 1505 B12R1.20 O=C(O)C(O)C1=CC=C(Br)C=C1 MC115598 [0,1,0,0,0,1|1,0,0]=3 1506 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 CS20354 [0,1,0,0,0,1|1,0,0]=3 1507 B12R1.20 O=C(O)C(O)C1=CC=C(Cl)C=C1 MC40159 [0,1,0,0,0,1|1,0,0]=3 1508 B12R1.20 O=C(O)C(O)c1ccc(Br)cc1 MC115599 [0,1,0,0,0,1|1,0,0]=3 1509 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 MC33263 [0,1,0,0,0,1|1,0,0]=3 1510 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 MC40116 [0,1,0,0,0,1|1,0,0]=3 1511 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 MC40088 [0,1,0,0,0,1|1,0,0]=3 1512 B12R1.49 COC(=O)CC1=CC=C(F)N=C1 MC429489 [0,1,0,0,0,1|2,0,0]=4 1513 B12R1.49 COC(=O)CC1=CC=C(N)N=C1 MC431366 [0,1,0,0,0,1|1,0,0]=3 1514 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 CS21113 [0,1,0,0,0,1|1,0,0]=3 1515 B12R1.106 NC1=CC=C(CP(=O)(O)O)C=C1 MC10777 [0,1,0,0,0,1|1,0,0]=3 1516 B12R1.233 CC(=O)NC1=C(Cl)C=C(F)C=C1 MC33128 [0,1,0,0,0,1|2,0,0]=4 1517 B12R1.233 CC(=O)NC1=C(O)C=C(F)C=C1 MC427191 [0,1,0,0,0,1|2,0,0]=4 1518 B12R1.233 CC(=O)Nc1ccc(Cl)cc1F MC40956 [0,1,0,0,0,1|2,0,0]=4 1519 B12R1.233 CC1=C(CC(=O)O)C=CC(Br)=C1 MC107511 [0,1,0,0,0,1|1,0,0]=3 1520 B12R1.233 CC1=CC(Br)=C(CC(=O)O)C=C1 MC106320 [0,1,0,0,0,1|1,0,0]=3 1521 B12R1.233 CC1=CC(F)=C(CC(=O)O)C=C1 CS12730 [0,1,0,0,0,1|1,0,0]=3 1522 B12R1.233 CC1=CC=C(CC(=O)O)C(=O)N1 MC430198 [0,1,0,0,0,1|2,0,0]=4 1523 B12R1.233 NC1=C(CC(=O)O)C=CC(F)=C1 MC429495 [0,1,0,0,0,1|1,0,0]=3 1524 B12R1.233 NC1=CC(F)=C(CC(=O)O)C=C1 MC433931 [0,1,0,0,0,1|0,0,0]=2 1525 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS19112 [0,1,0,0,0,1|1,0,0]=3 1526 B12R1.233 O=C(O)CC1=C(Br)C=C(F)C=C1 CS15278 [0,1,0,0,0,1|1,0,0]=3 1527 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS16319 [0,1,0,0,0,1|1,0,0]=3 1528 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS10717 [0,1,0,0,0,1|1,0,0]=3 1529 B12R1.233 O=C(O)CC1=C(Cl)C=C(F)C=C1 CS20709 [0,1,0,0,0,1|1,0,0]=3 1530 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS19772 [0,1,0,0,0,1|1,0,0]=3 1531 B12R1.233 O=C(O)CC1=C(F)C=C(Cl)C=C1 MC40156 [0,1,0,0,0,1|1,0,0]=3 1532 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 MC10349 [0,1,0,0,0,1|1,0,0]=3 1533 B12R1.233 O=C(O)CC1=C(I)C=C(F)C=C1 MC432599 [0,1,0,0,0,1|1,0,0]=3 1534 B12R1.233 O=C(O)CC1=C(O)C=C(F)C=C1 MC429494 [0,1,0,0,0,1|1,0,0]=3 1535 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 MC433261 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.5 CCC1=CC=C(C(=O)CBr)C=C1 MC442572 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 CS22286 [0,2,0,0,0,0|0,0,1]=3 1538 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 CS21634 [0,2,0,0,0,0|1,0,0]=3 1539 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 CS21991 [0,2,0,0,0,0|1,0,0]=3 1540 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 CS18814 [0,2,0,0,0,0|0,0,0]=2 1541 B12R1.5 COC(=O)C1=CC=C(NN)N=N1 MC444531 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.5 COC(=O)C1=CC=C(NN)N=N1 MC444532 [0,2,0,0,0,0|2,0,0]=4 1543 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 CS18683 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 CS11664 [0,2,0,0,0,0|2,0,0]=4 1545 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 CS14996 [0,2,0,0,0,0|2,0,0]=4 1546 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 CS10880 [0,2,0,0,0,0|2,0,0]=4 1547 B12R1.5 COC(=O)C1=NC=C(CO)C=C1 MC431233 [0,2,0,0,0,0|2,0,0]=4 1548 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 MC41239 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 CS21179 [0,2,0,0,0,0|2,0,0]=4 1550 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 MC426060 [0,2,0,0,0,0|1,0,1]=4 1551 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 MC443529 [0,2,0,0,0,0|1,0,1]=4 1552 B12R1.6 CS(=O)(=O)C1=CC=C(CN)C=C1 MC40838 [0,2,0,0,0,0|1,0,1]=4 1553 B12R1.6 CS(=O)(=O)C1=CC=C(NN)C=C1 CS19592 [0,2,0,0,0,0|1,0,1]=4 1554 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 CS11562 [0,2,0,0,0,0|1,0,1]=4 1555 B12R1.6 NCC1=CC=C(S(N)(=O)=O)C=C1 CS19591 [0,2,0,0,0,0|1,0,1]=4 1556 B12R1.6 NNC1=CC=C(S(N)(=O)=O)C=C1 CS22857 [0,2,0,0,0,0|1,0,1]=4 1557 B12R1.6 NNC1=CC=C(S(N)(=O)=O)C=C1 MC20409 [0,2,0,0,0,0|1,0,1]=4 1558 B12R1.48 CC(=O)C1=CC(Br)=C(C#N)C=C1 MC433722 [0,2,0,0,0,0|1,0,1]=4 1559 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 MC433227 [0,2,0,0,0,0|1,0,1]=4 1560 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 CS15153 [0,2,0,0,0,0|0,0,1]=3 1561 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=N1 MC431550 [0,2,0,0,0,0|1,0,1]=4 1562 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 CS14645 [0,2,0,0,0,0|1,0,0]=3 1563 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 CS17356 [0,2,0,0,0,0|0,0,0]=2 1564 B12R1.48 CNc1ccc([N+](=O)[O-])cc1N MC42214 [0,2,0,0,0,0|1,0,1]=4 1565 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 MC111592 [0,2,0,0,0,0|2,0,0]=4 1566 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 CS11019 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 CS10651 [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 MC30268 [0,2,0,0,0,0|1,0,0]=3 1569 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 MC41263 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 MC30277 [0,2,0,0,0,0|1,0,0]=3 1571 B12R1.48 COC1=C(F)C=C(C(=O)Cl)C=C1 MC40477 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 MC30258 [0,2,0,0,0,0|1,0,0]=3 1573 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 MC40229 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 CS10864 [0,2,0,0,0,0|1,0,0]=3 1575 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 CS22927 [0,2,0,0,0,0|2,0,0]=4 1576 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl MC104263 [0,2,0,0,0,0|2,0,0]=4 1577 B12R1.48 COC1=CN=C(C(=O)O)C=C1O MC431993 [0,2,0,0,0,0|2,0,0]=4 1578 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl MC20740 [0,2,0,0,0,0|2,0,0]=4 1579 B12R1.48 COC1=NC=C(C(=O)O)C=C1F CS13290 [0,2,0,0,0,0|2,0,0]=4 1580 B12R1.48 COc1ccc(C(C)=O)cc1F MC30259 [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 CS13841 [0,2,0,0,0,0|0,0,1]=3 1582 B12R1.48 NCC1=C(F)C=C([N+](=O)[O-])C=C1 CS15688 [0,2,0,0,0,0|1,0,1]=4 1583 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 MC442234 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 CS18398 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 MC427435 [0,2,0,0,0,0|1,0,0]=3 1586 B12R1.113 CC(=O)C1=CC=C(CCBr)C=C1 CS10009 [0,2,0,0,0,0|2,0,0]=4 1587 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 MC41029 [0,2,0,0,0,0|1,0,1]=4 1588 B12R1.113 CCOC1=CC=C(C(=O)Cl)C=C1 MC20583 [0,2,0,0,0,0|2,0,0]=4 1589 B12R1.113 CCOC1=CC=C(C(=O)O)C=C1 MC433673 [0,2,0,0,0,0|1,0,0]=3 1590 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 MC33060 [0,2,0,0,0,0|2,0,0]=4 1591 B12R1.113 CNCC1=CC=C(B(O)O)C=C1 MC443181 [0,2,0,0,0,0|1,0,1]=4 1592 B12R1.113 COCC1=CC=C(C(=O)O)C=C1 MC40299 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 CS10544 [0,2,0,0,0,0|1,0,1]=4 1594 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 MC40240 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 CS21633 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 CS16652 [0,2,0,0,0,0|2,0,0]=4 1597 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 CS10026 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.256 CC(=O)C1=CN=C(C(=O)O)C=C1 MC431646 [0,2,0,0,0,0|2,0,0]=4 1599 B12R1.256 CC(C)C1=CC=C(C(=O)O)C=C1 CS11114 [0,2,0,0,0,0|1,0,0]=3 1600 B12R1.256 CC(C)C1=CN=C(C(=O)O)C=C1 MC442699 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.256 CC(N)C1=CC=C([N+](=O)[O-])C=C1 MC428054 [0,2,0,0,0,0|1,0,1]=4 1602 B12R1.256 CN(C)C1=CC=C(B(O)O)C=C1 MC442261 [0,2,0,0,0,0|1,0,1]=4 1603 B12R1.256 CN(C)C1=CC=C(C(=O)O)C=C1 CS13409 [0,2,0,0,0,0|0,0,0]=2 1604 B12R1.256 CN(C)C1=CC=C(C(N)=O)C=C1 CS14909 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.256 CN(C)C1=CC=C([N+](=O)[O-])C=C1 MC40907 [0,2,0,0,0,0|1,0,1]=4 1606 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 MC431661 [0,2,0,0,0,0|0,0,0]=2 1607 B12R1.256 NC(=O)C1=CC=C(B(O)O)C=C1 CS20360 [0,2,0,0,0,0|1,0,1]=4 1608 B12R1.256 NC(=O)C1=CC=C([N+](=O)[O-])C=C1 CS10449 [0,2,0,0,0,0|1,0,1]=4 1609 B12R1.256 O=C(Cl)C1=CC=C(C(=O)Cl)C=C1 MC40500 [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.256 O=C(Cl)C1=CC=C([N+](=O)[O-])C=C1 MC20943 [0,2,0,0,0,0|1,0,1]=4 1611 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 CS20267 [0,2,0,0,0,0|1,0,0]=3 1612 B12R1.256 O=C(O)C1=CC=C(C(=O)O)C=C1 MC40320 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.256 O=C(O)C1=CC=C(C(F)F)C=C1 MC429961 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 CS15330 [0,2,0,0,0,0|0,0,1]=3 1615 B12R1.256 O=C(O)C1=CN=C([N+](=O)[O-])C=C1 CS14155 [0,2,0,0,0,0|1,0,1]=4 1616 B12R1.256 O=C(O)C1=NC=C([N+](=O)[O-])C=C1 CS14119 [0,2,0,0,0,0|1,0,1]=4 1617 B12R1.452 C=CC1=CC(Cl)=C(C(=O)Cl)C=C1 MC106009 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.452 C=CC1=CC(Cl)=C(C(=O)O)C=C1 MC105944 [0,2,0,0,0,0|1,0,0]=3 1619 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 CS13221 [0,2,0,0,0,0|1,0,0]=3 1620 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 MC433140 [0,2,0,0,0,0|1,0,0]=3 1621 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 MC40302 [0,2,0,0,0,0|1,0,0]=3 1622 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 CS13952 [0,2,0,0,0,0|1,0,0]=3 1623 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 CS14142 [0,2,0,0,0,0|1,0,0]=3 1624 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 MC433683 [0,2,0,0,0,0|1,0,0]=3 1625 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 CS21695 [0,2,0,0,0,0|2,0,0]=4 1626 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 CS16838 [0,2,0,0,0,0|1,0,0]=3 1627 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 CS18303 [0,2,0,0,0,0|1,0,0]=3 1628 B12R1.452 COC1=CC(N)=C(C(N)=O)C=C1 MC111104 [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 MC20161 [0,2,0,0,0,0|2,0,0]=4 1630 B12R1.452 COC1=CN=C(C(=O)O)C(Cl)=C1 CS14407 [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.452 COC1=CN=C(C(=O)O)C(F)=C1 MC431674 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.452 COC1=NC(F)=C(C(=O)O)C=C1 MC441124 [0,2,0,0,0,0|2,0,0]=4 1633 B12R1.452 COC1=NC=C(C(=O)O)C(N)=C1 MC104037 [0,2,0,0,0,0|2,0,0]=4 1634 B12R1.452 CSC1=CC(C)=C(C(=O)O)C=C1 MC40305 [0,2,0,0,0,0|1,0,0]=3 1635 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 CS20614 [0,2,0,0,0,0|0,0,1]=3 1636 B12R1.452 N#CC1=CN=C(C(=O)O)C(Cl)=C1 MC112956 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.452 N#CC1=CN=C(C(=O)O)C(F)=C1 MC430154 [0,2,0,0,0,0|1,0,1]=4 1638 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 MC429715 [0,2,0,0,0,0|1,0,0]=3 1639 B12R1.9 CNS(=O)(=O)C1=CC=C(N)C=C1 CS19588 [0,2,0,0,0,0|1,0,1]=4 1640 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 MC445526 [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.23 CC1=C(N)C=CC(S(N)(=O)=O)=C1 CS10130 [0,2,0,0,0,0|1,0,1]=4 1642 B12R1.23 CS(=O)(=O)C1=CC(F)=C(N)C=C1 CS19350 [0,2,0,0,0,0|1,0,1]=4 1643 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 MC442815 [0,2,0,0,0,0|1,0,0]=3 1644 B12R1.56 CC(=O)C1=CC(C#N)=C(N)C=C1 MC433721 [0,2,0,0,0,0|1,0,0]=3 1645 B12R1.56 CC1=NC=C(C(=O)O)C=C1C#N MC431587 [0,2,0,0,0,0|2,0,0]=4 1646 B12R1.56 CCC1=C(Br)C=CC(C(=O)O)=C1 MC428381 [0,2,0,0,0,0|1,0,0]=3 1647 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 MC30294 [0,2,0,0,0,0|0,0,0]=2 1648 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [0,2,0,0,0,0|1,0,0]=3 1649 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 CS16863 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [0,2,0,0,0,0|1,0,0]=3 1651 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [0,2,0,0,0,0|1,0,0]=3 1652 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 CS13301 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [0,2,0,0,0,0|1,0,0]=3 1654 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [0,2,0,0,0,0|0,0,0]=2 1656 B12R1.56 COC1=C(N)C=CC(C(=O)O)=N1 MC432347 [0,2,0,0,0,0|1,0,0]=3 1657 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 CS16396 [0,2,0,0,0,0|1,0,1]=4 1658 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [0,2,0,0,0,0|1,0,0]=3 1659 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.56 N#CC1=C(Br)C=CC(C(=O)O)=C1 CS16346 [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 MC31025 [0,2,0,0,0,0|1,0,0]=3 1662 B12R1.56 N#CC1=C(N)C=CC([N+](=O)[O-])=C1 CS20141 [0,2,0,0,0,0|1,0,1]=4 1663 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 MC441018 [0,2,0,0,0,0|1,0,0]=3 1664 B12R1.56 O=CC1=C(F)C=CC(C(=O)O)=C1 CS22830 [0,2,0,0,0,0|1,0,0]=3 1665 B12R1.232 CC(=O)C1=C(Br)C=C(Br)C(F)=C1 MC108789 [0,2,0,0,0,0|2,0,0]=4 1666 B12R1.232 CC(=O)C1=C(Br)C=C(F)C(Br)=C1 MC108792 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.232 CC(=O)C1=C(Cl)C=C(C)C(Cl)=C1 MC109831 [0,2,0,0,0,0|2,0,0]=4 1668 B12R1.232 CC(=O)C1=C(Cl)C=C(Cl)C(F)=C1 MC20164 [0,2,0,0,0,0|2,0,0]=4 1669 B12R1.232 CC(=O)C1=C(F)C=C(Br)C(Br)=C1 MC108798 [0,2,0,0,0,0|2,0,0]=4 1670 B12R1.232 CC(=O)C1=C(F)C=C(F)C(Br)=C1 CS13026 [0,2,0,0,0,0|2,0,0]=4 1671 B12R1.232 CC(=O)C1=C(F)C=C(F)C(F)=C1 MC41273 [0,2,0,0,0,0|2,0,0]=4 1672 B12R1.232 CC(=O)C1=C(O)C=C(Br)C(F)=C1 MC445714 [0,2,0,0,0,0|2,0,0]=4 1673 B12R1.232 CC(=O)C1=C(O)C=C(Cl)C(F)=C1 MC101890 [0,2,0,0,0,0|2,0,0]=4 1674 B12R1.232 CC(=O)C1=C(O)C=C(O)C(Cl)=C1 MC445475 [0,2,0,0,0,0|2,0,0]=4 1675 B12R1.232 CC(=O)c1cc(F)c(Br)cc1F MC433214 [0,2,0,0,0,0|2,0,0]=4 1676 B12R1.232 CC1=C(C(=O)O)C=C(F)C(F)=C1 MC433083 [0,2,0,0,0,0|1,0,0]=3 1677 B12R1.232 CC1=C(C(N)=O)C=C(Cl)C(Cl)=C1 MC109842 [0,2,0,0,0,0|2,0,0]=4 1678 B12R1.232 CC1=C(N)C=C(Br)C([N+](=O)[O-])=C1 MC40877 [0,2,0,0,0,0|1,0,1]=4 1679 B12R1.232 CC1=C(N)C=C(Cl)C([N+](=O)[O-])=C1 MC30014 [0,2,0,0,0,0|1,0,1]=4 1680 B12R1.232 CC1=C(N)C=C(F)C([N+](=O)[O-])=C1 MC433325 [0,2,0,0,0,0|1,0,1]=4 1681 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F MC20023 [0,2,0,0,0,0|1,0,0]=3 1682 B12R1.232 CC1=CC(C(=O)Cl)=C(Cl)C=C1Cl MC109869 [0,2,0,0,0,0|2,0,0]=4 1683 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F MC20021 [0,2,0,0,0,0|1,0,0]=3 1684 B12R1.232 CC1=CC(C(=O)O)=C(Cl)N=C1C CS13795 [0,2,0,0,0,0|2,0,0]=4 1685 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1Br CS22641 [0,2,0,0,0,0|1,0,0]=3 1686 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F CS20022 [0,2,0,0,0,0|1,0,0]=3 1687 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1Br MC442289 [0,2,0,0,0,0|1,0,0]=3 1688 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C MC40317 [0,2,0,0,0,0|1,0,0]=3 1689 B12R1.232 CC1=CC(Cl)=C(C(=O)Cl)C=C1Cl MC109871 [0,2,0,0,0,0|2,0,0]=4 1690 B12R1.232 CC1=CC(Cl)=C(C(N)=O)C=C1Cl MC109839 [0,2,0,0,0,0|2,0,0]=4 1691 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F CS18575 [0,2,0,0,0,0|1,0,0]=3 1692 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1O CS15678 [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C MC433576 [0,2,0,0,0,0|1,0,0]=3 1694 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1O MC102236 [0,2,0,0,0,0|1,0,0]=3 1695 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I MC433697 [0,2,0,0,0,0|1,0,0]=3 1696 B12R1.232 CC1=CC([N+](=O)[O-])=C(C)C=C1N MC30172 [0,2,0,0,0,0|1,0,1]=4 1697 B12R1.232 NC(=O)C1=C(Cl)C=C(F)C(Cl)=C1 MC109602 [0,2,0,0,0,0|2,0,0]=4 1698 B12R1.232 NC(=O)C1=C(F)C=C(Br)C(Br)=C1 MC108828 [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.232 NC(=O)C1=C(F)C=C(Cl)C(Cl)=C1 MC109606 [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.232 NC(=O)C1=C(F)C=C(F)C(Br)=C1 MC108402 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.232 NC1=C(Br)C=C([N+](=O)[O-])C(F)=C1 MC40869 [0,2,0,0,0,0|1,0,1]=4 1702 B12R1.232 NC1=C(C(=O)O)C=C(Br)C(Br)=C1 MC433568 [0,2,0,0,0,0|1,0,0]=3 1703 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 CS21240 [0,2,0,0,0,0|1,0,0]=3 1704 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 CS15021 [0,2,0,0,0,0|1,0,0]=3 1705 B12R1.232 NC1=C(C(=O)O)C=C(F)C(F)=C1 CS10345 [0,2,0,0,0,0|1,0,0]=3 1706 B12R1.232 NC1=C(Cl)C=C([N+](=O)[O-])C(Cl)=C1 MC33182 [0,2,0,0,0,0|1,0,1]=4 1707 B12R1.232 NC1=C(Cl)C=C([N+](=O)[O-])C(F)=C1 MC30035 [0,2,0,0,0,0|1,0,1]=4 1708 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl MC433570 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.232 NC1=CC(Cl)=C(Cl)C=C1C(=O)O MC20250 [0,2,0,0,0,0|1,0,0]=3 1710 B12R1.232 NC1=CC(F)=C(Br)N=C1C(=O)O MC432142 [0,2,0,0,0,0|2,0,0]=4 1711 B12R1.232 NC1=CC(F)=C(C(=O)O)C=C1F MC433079 [0,2,0,0,0,0|0,0,0]=2 1712 B12R1.232 NC1=CC(F)=C([N+](=O)[O-])C=C1N MC33282 [0,2,0,0,0,0|1,0,1]=4 1713 B12R1.232 O=C(Cl)C1=C(Br)C=C(Br)C(F)=C1 MC108902 [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.232 O=C(Cl)C1=C(Br)C=C(Cl)C(F)=C1 MC107942 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.232 O=C(Cl)C1=C(Br)C=C(F)C(Br)=C1 MC108904 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.232 O=C(Cl)C1=C(Br)C=C(F)C(Cl)=C1 MC107945 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.232 O=C(Cl)C1=C(Cl)C=C(Cl)C(F)=C1 MC433647 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.232 O=C(Cl)C1=C(Cl)C=C(F)C(Br)=C1 MC107955 [0,2,0,0,0,0|2,0,0]=4 1719 B12R1.232 O=C(Cl)C1=C(F)C=C(Br)C(Br)=C1 MC108910 [0,2,0,0,0,0|2,0,0]=4 1720 B12R1.232 O=C(Cl)C1=C(F)C=C(Br)C(Cl)=C1 MC107953 [0,2,0,0,0,0|2,0,0]=4 1721 B12R1.232 O=C(Cl)C1=C(F)C=C(Cl)C(F)=C1 MC433621 [0,2,0,0,0,0|2,0,0]=4 1722 B12R1.232 O=C(Cl)C1=C(F)C=C(F)C(F)=C1 MC40502 [0,2,0,0,0,0|2,0,0]=4 1723 B12R1.232 O=C(O)C1=C(Br)C=C(F)C(F)=C1 CS21347 [0,2,0,0,0,0|1,0,0]=3 1724 B12R1.232 O=C(O)C1=C(Cl)C=C(Br)C(F)=C1 MC20020 [0,2,0,0,0,0|1,0,0]=3 1725 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=C1 CS19935 [0,2,0,0,0,0|1,0,0]=3 1726 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 MC20018 [0,2,0,0,0,0|1,0,0]=3 1727 B12R1.232 O=C(O)C1=C(Cl)C=C(F)C(F)=C1 CS19681 [0,2,0,0,0,0|1,0,0]=3 1728 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(Cl)=C1 CS16590 [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(F)=C1 CS22833 [0,2,0,0,0,0|2,0,0]=4 1730 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(F)=C1 CS15117 [0,2,0,0,0,0|1,0,0]=3 1731 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 CS10290 [0,2,0,0,0,0|1,0,0]=3 1732 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 CS14091 [0,2,0,0,0,0|1,0,0]=3 1733 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 MC30314 [0,2,0,0,0,0|1,0,0]=3 1734 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Br)=C1 CS15921 [0,2,0,0,0,0|1,0,0]=3 1735 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 CS19683 [0,2,0,0,0,0|1,0,0]=3 1736 B12R1.232 O=C(O)C1=C(F)C=C(F)C(F)=C1 CS19752 [0,2,0,0,0,0|1,0,0]=3 1737 B12R1.232 O=C(O)C1=C(F)C=C(F)C(I)=C1 MC431229 [0,2,0,0,0,0|1,0,0]=3 1738 B12R1.232 O=C(O)C1=C(F)N=C(F)C(F)=C1 MC102210 [0,2,0,0,0,0|2,0,0]=4 1739 B12R1.232 O=C(O)C1=C(I)C=C(F)C(F)=C1 MC433137 [0,2,0,0,0,0|1,0,0]=3 1740 B12R1.232 O=C(O)C1=C(O)C=C(Cl)C(Cl)=C1 MC432263 [0,2,0,0,0,0|1,0,0]=3 1741 B12R1.232 O=C(O)C1=NC(Cl)=C(Cl)C=C1Cl CS12975 [0,2,0,0,0,0|2,0,0]=4 1742 B12R1.232 O=C([O-])C1=C(Cl)C=C(F)C(F)=C1 MC40338 [0,2,0,0,0,0|1,0,1]=4 1743 B12R1.232 O=C([O-])C1=C(F)C=C(F)C(F)=C1 MC30147 [0,2,0,0,0,0|1,0,1]=4 1744 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 MC113998 [0,2,0,0,0,0|2,0,0]=4 1745 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 MC41281 [0,2,0,0,0,0|2,0,0]=4 1746 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 CS21663 [0,2,0,0,0,0|1,0,0]=3 1747 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 CS22151 [0,2,0,0,0,0|1,0,0]=3 1748 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 CS13492 [0,2,0,0,0,0|0,0,0]=2 1749 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 CS13829 [0,2,0,0,0,0|1,0,0]=3 1750 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 CS13733 [0,2,0,0,0,0|1,0,0]=3 1751 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 CS11642 [0,2,0,0,0,0|1,0,0]=3 1752 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 CS13467 [0,2,0,0,0,0|1,0,0]=3 1753 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 MC40109 [0,2,0,0,0,0|1,0,0]=3 1754 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 CS13862 [0,2,0,0,0,0|0,0,0]=2 1755 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 CS14199 [0,2,0,0,0,0|1,0,0]=3 1756 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 MC40083 [0,2,0,0,0,0|1,0,0]=3 1757 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 MC30260 [0,2,0,0,0,0|1,0,0]=3 1758 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 CS14385 [0,2,0,0,0,0|1,0,0]=3 1759 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 CS14421 [0,2,0,0,0,0|1,0,0]=3 1760 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 MC40097 [0,2,0,0,0,0|1,0,0]=3 1761 B12R1.367 COC(=O)C1=CC(F)=C(F)N=C1 MC430145 [0,2,0,0,0,0|2,0,0]=4 1762 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 CS14018 [0,2,0,0,0,0|0,0,0]=2 1763 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 CS19409 [0,2,0,0,0,0|1,0,0]=3 1764 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 CS18837 [0,2,0,0,0,0|0,0,0]=2 1765 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 CS11645 [0,2,0,0,0,0|1,0,0]=3 1766 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 CS11615 [0,2,0,0,0,0|1,0,0]=3 1767 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 CS10899 [0,2,0,0,0,0|1,0,0]=3 1768 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 CS11616 [0,2,0,0,0,0|1,0,0]=3 1769 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 CS11618 [0,2,0,0,0,0|1,0,0]=3 1770 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 CS20450 [0,2,0,0,0,0|0,0,0]=2 1771 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 CS11617 [0,2,0,0,0,0|1,0,0]=3 1772 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 CS11639 [0,2,0,0,0,0|1,0,0]=3 1773 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 CS15706 [0,2,0,0,0,0|1,0,0]=3 1774 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 CS11687 [0,2,0,0,0,0|1,0,0]=3 1775 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 CS21024 [0,2,0,0,0,0|0,0,0]=2 1776 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 CS20955 [0,2,0,0,0,0|1,0,0]=3 1777 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 MC427483 [0,2,0,0,0,0|0,0,0]=2 1778 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 MC443715 [0,2,0,0,0,0|2,0,0]=4 1779 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 MC430144 [0,2,0,0,0,0|2,0,0]=4 1780 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 CS15946 [0,2,0,0,0,0|2,0,0]=4 1781 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 CS17661 [0,2,0,0,0,0|2,0,0]=4 1782 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 MC429992 [0,2,0,0,0,0|2,0,0]=4 1783 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 CS17660 [0,2,0,0,0,0|2,0,0]=4 1784 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 MC431245 [0,2,0,0,0,0|1,0,0]=3 1785 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 CS11621 [0,2,0,0,0,0|2,0,0]=4 1786 B12R1.367 COC(=O)C1=NC(Br)=C(C)C=C1 CS19533 [0,2,0,0,0,0|2,0,0]=4 1787 B12R1.367 COC(=O)C1=NC(Br)=C(N)N=C1 MC444545 [0,2,0,0,0,0|2,0,0]=4 1788 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 CS16719 [0,2,0,0,0,0|2,0,0]=4 1789 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 CS16862 [0,2,0,0,0,0|2,0,0]=4 1790 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 CS16029 [0,2,0,0,0,0|2,0,0]=4 1791 B12R1.367 COC(=O)C1=NC(Cl)=C(Cl)C=C1 CS16003 [0,2,0,0,0,0|2,0,0]=4 1792 B12R1.367 COC(=O)C1=NC(I)=C(N)N=C1 MC104767 [0,2,0,0,0,0|2,0,0]=4 1793 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 MC430945 [0,2,0,0,0,0|2,0,0]=4 1794 B12R1.367 COC(=O)C1=NC(N)=C(N)C=C1 MC112955 [0,2,0,0,0,0|1,0,0]=3 1795 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 MC428183 [0,2,0,0,0,0|2,0,0]=4 1796 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 MC102411 [0,2,0,0,0,0|2,0,0]=4 1797 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 CS17574 [0,2,0,0,0,0|2,0,0]=4 1798 B12R1.367 COC(=O)C1=NC=C(C)C(Br)=C1 MC432006 [0,2,0,0,0,0|2,0,0]=4 1799 B12R1.367 COC(=O)C1=NC=C(C)C(Cl)=C1 CS16028 [0,2,0,0,0,0|2,0,0]=4 1800 B12R1.367 COC(=O)C1=NC=C(Cl)C(Cl)=C1 CS17982 [0,2,0,0,0,0|2,0,0]=4 1801 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 CS16611 [0,2,0,0,0,0|1,0,0]=3 1802 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 MC102001 [0,2,0,0,0,0|2,0,0]=4 1803 B12R1.367 NCC(=O)C1=CC(F)=C(Br)C=C1 MC114806 [0,2,0,0,0,0|2,0,0]=4 1804 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 MC41226 [0,2,0,0,0,0|2,0,0]=4 1805 B12R1.367 O=C(CBr)C1=CC(F)=C(Br)C=C1 MC114804 [0,2,0,0,0,0|2,0,0]=4 1806 B12R1.367 O=C(CBr)C1=CC(F)=C(F)C=C1 CS20625 [0,2,0,0,0,0|2,0,0]=4 1807 B12R1.367 O=C(CCl)C1=CC(F)=C(Br)C=C1 MC114805 [0,2,0,0,0,0|2,0,0]=4 1808 B12R1.367 O=C(CCl)c1ccc(F)c(F)c1 MC433220 [0,2,0,0,0,0|2,0,0]=4 1809 B12R1.893 CC(=O)C1=C(Br)C(F)=C(Br)C=C1 MC108788 [0,2,0,0,0,0|2,0,0]=4 1810 B12R1.893 CC(=O)C1=C(C)C(F)=C(F)C=C1 MC110191 [0,2,0,0,0,0|2,0,0]=4 1811 B12R1.893 CC(=O)C1=C(F)C(Br)=C(Br)C=C1 MC108795 [0,2,0,0,0,0|2,0,0]=4 1812 B12R1.893 CC(=O)C1=C(F)C(Br)=C(F)C=C1 CS16567 [0,2,0,0,0,0|2,0,0]=4 1813 B12R1.893 CC(=O)C1=C(F)C(Cl)=C(Cl)C=C1 MC109584 [0,2,0,0,0,0|2,0,0]=4 1814 B12R1.893 CC(=O)C1=C(F)C(F)=C(F)C=C1 MC30125 [0,2,0,0,0,0|2,0,0]=4 1815 B12R1.893 CC1=C(C(=O)O)C=CC(F)=C1F MC31065 [0,2,0,0,0,0|1,0,0]=3 1816 B12R1.893 CC1=C(C(N)=O)C=CC(F)=C1F MC110206 [0,2,0,0,0,0|2,0,0]=4 1817 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 CS14576 [0,2,0,0,0,0|1,0,0]=3 1818 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1Cl CS12720 [0,2,0,0,0,0|1,0,0]=3 1819 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F CS19820 [0,2,0,0,0,0|1,0,0]=3 1820 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C MC30138 [0,2,0,0,0,0|0,0,0]=2 1821 B12R1.893 CC1=C(N)C=CC([N+](=O)[O-])=C1C CS15237 [0,2,0,0,0,0|1,0,1]=4 1822 B12R1.893 NC(=O)C1=C(Br)C(Br)=C(F)C=C1 MC108817 [0,2,0,0,0,0|2,0,0]=4 1823 B12R1.893 NC(=O)C1=C(Br)C(F)=C(Br)C=C1 MC108820 [0,2,0,0,0,0|2,0,0]=4 1824 B12R1.893 NC(=O)C1=C(Br)C(F)=C(F)C=C1 MC108396 [0,2,0,0,0,0|2,0,0]=4 1825 B12R1.893 NC(=O)C1=C(Cl)C(F)=C(Cl)C=C1 MC109600 [0,2,0,0,0,0|2,0,0]=4 1826 B12R1.893 NC(=O)C1=C(F)C(Br)=C(Br)C=C1 MC108824 [0,2,0,0,0,0|2,0,0]=4 1827 B12R1.893 NC(=O)C1=C(F)C(Cl)=C(Cl)C=C1 MC109603 [0,2,0,0,0,0|2,0,0]=4 1828 B12R1.893 NC(=O)C1=C(F)C(F)=C(Br)C=C1 MC108401 [0,2,0,0,0,0|2,0,0]=4 1829 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl CS21226 [0,2,0,0,0,0|1,0,0]=3 1830 B12R1.893 NC1=C(C(=O)O)C=CC(F)=C1F MC30133 [0,2,0,0,0,0|1,0,0]=3 1831 B12R1.893 NC1=C(F)C(F)=C(C(=O)O)C=C1 MC433572 [0,2,0,0,0,0|0,0,0]=2 1832 B12R1.893 O=C(Cl)C1=C(Br)C(Br)=C(F)C=C1 MC108898 [0,2,0,0,0,0|2,0,0]=4 1833 B12R1.893 O=C(Cl)C1=C(Br)C(F)=C(Br)C=C1 MC108901 [0,2,0,0,0,0|2,0,0]=4 1834 B12R1.893 O=C(Cl)C1=C(Br)C(F)=C(F)C=C1 MC108430 [0,2,0,0,0,0|2,0,0]=4 1835 B12R1.893 O=C(Cl)C1=C(F)C(Br)=C(Br)C=C1 MC108907 [0,2,0,0,0,0|2,0,0]=4 1836 B12R1.893 O=C(Cl)C1=C(F)C(Cl)=C(Cl)C=C1 MC109660 [0,2,0,0,0,0|2,0,0]=4 1837 B12R1.893 O=C(Cl)C1=C(F)C(F)=C(F)C=C1 MC430032 [0,2,0,0,0,0|2,0,0]=4 1838 B12R1.893 O=C(O)C1=C(Br)C(Br)=C(F)C=C1 MC108858 [0,2,0,0,0,0|1,0,0]=3 1839 B12R1.893 O=C(O)C1=C(Br)C(F)=C(Br)C=C1 MC108860 [0,2,0,0,0,0|1,0,0]=3 1840 B12R1.893 O=C(O)C1=C(Br)C(F)=C(F)C=C1 CS12732 [0,2,0,0,0,0|1,0,0]=3 1841 B12R1.893 O=C(O)C1=C(Br)C(O)=C(Br)C=C1 MC442960 [0,2,0,0,0,0|1,0,0]=3 1842 B12R1.893 O=C(O)C1=C(Cl)C(Br)=C(Cl)C=C1 CS17192 [0,2,0,0,0,0|1,0,0]=3 1843 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 CS21013 [0,2,0,0,0,0|1,0,0]=3 1844 B12R1.893 O=C(O)C1=C(Cl)C(O)=C(Br)C=C1 MC442961 [0,2,0,0,0,0|1,0,0]=3 1845 B12R1.893 O=C(O)C1=C(F)C(Br)=C(Br)C=C1 MC108862 [0,2,0,0,0,0|1,0,0]=3 1846 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 MC40249 [0,2,0,0,0,0|1,0,0]=3 1847 B12R1.893 O=C(O)C1=C(F)C(F)=C(Br)C=C1 MC20269 [0,2,0,0,0,0|1,0,0]=3 1848 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 CS22731 [0,2,0,0,0,0|1,0,0]=3 1849 B12R1.893 O=C(O)C1=C(F)C(F)=C(F)C=C1 MC30124 [0,2,0,0,0,0|1,0,0]=3 1850 B12R1.893 O=C(O)C1=C(F)C(F)=C(O)C=C1 MC40268 [0,2,0,0,0,0|1,0,0]=3 1851 B12R1.893 O=C(O)C1=C(F)C(O)=C(F)C=C1 MC20265 [0,2,0,0,0,0|1,0,0]=3 1852 B12R1.893 O=C(O)C1=C(O)C(F)=C(F)C=C1 MC40271 [0,2,0,0,0,0|1,0,0]=3 1853 B12R1.893 O=C(O)C1=C(O)C(O)=C(Br)C=C1 MC442962 [0,2,0,0,0,0|1,0,0]=3 1854 B12R1.893 O=C(O)C1=CN=C(F)C(F)=C1Cl CS22766 [0,2,0,0,0,0|2,0,0]=4 1855 B12R1.893 O=C(O)C1=NC=C(Br)C(Cl)=C1Br MC115180 [0,2,0,0,0,0|2,0,0]=4 1856 B12R1.893 O=C(O)C1=NC=C(Cl)C(Cl)=C1Cl MC427419 [0,2,0,0,0,0|2,0,0]=4 1857 B12R1.893 O=C([O-])C1=C(F)C(Cl)=C(F)C=C1 MC40339 [0,2,0,0,0,0|1,0,1]=4 1858 B12R1.893 O=C([O-])C1=C(F)C(F)=C(F)C=C1 MC40354 [0,2,0,0,0,0|1,0,1]=4 1859 B12R1.1005 CC(=O)C1=CC(Br)=C(Br)C(F)=C1 MC108796 [0,2,0,0,0,0|2,0,0]=4 1860 B12R1.1005 CC(=O)C1=CC(Br)=C(F)C(F)=C1 MC108395 [0,2,0,0,0,0|2,0,0]=4 1861 B12R1.1005 CC(=O)C1=CC(Cl)=C(Cl)C(C)=C1 MC109833 [0,2,0,0,0,0|2,0,0]=4 1862 B12R1.1005 CC(=O)C1=CC(Cl)=C(Cl)C(F)=C1 MC109585 [0,2,0,0,0,0|2,0,0]=4 1863 B12R1.1005 CC(=O)C1=CC(Cl)=C(N)C(Cl)=C1 CS20820 [0,2,0,0,0,0|1,0,0]=3 1864 B12R1.1005 CC(=O)C1=CC(F)=C(F)C(C)=C1 MC110192 [0,2,0,0,0,0|2,0,0]=4 1865 B12R1.1005 CC(=O)C1=CC(F)=C(F)C(F)=C1 CS10694 [0,2,0,0,0,0|2,0,0]=4 1866 B12R1.1005 CC(=O)c1cc(Br)c(O)c(Br)c1 MC433230 [0,2,0,0,0,0|2,0,0]=4 1867 B12R1.1005 CC1=C(Cl)C=C(C(=O)Cl)C=C1Cl MC40464 [0,2,0,0,0,0|2,0,0]=4 1868 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl CS14273 [0,2,0,0,0,0|1,0,0]=3 1869 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I MC425101 [0,2,0,0,0,0|1,0,0]=3 1870 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O CS12744 [0,2,0,0,0,0|1,0,0]=3 1871 B12R1.1005 CC1=C(F)C=C(C(N)=O)C=C1F MC110208 [0,2,0,0,0,0|2,0,0]=4 1872 B12R1.1005 CC1=C(N)C(I)=CC([N+](=O)[O-])=C1 MC433330 [0,2,0,0,0,0|1,0,1]=4 1873 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1F MC433581 [0,2,0,0,0,0|1,0,0]=3 1874 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1N MC40264 [0,2,0,0,0,0|1,0,0]=3 1875 B12R1.1005 CC1=CC(C(=O)Cl)=CC(Cl)=C1Cl MC109872 [0,2,0,0,0,0|2,0,0]=4 1876 B12R1.1005 CC1=CC(C(=O)Cl)=CC(F)=C1F MC110261 [0,2,0,0,0,0|2,0,0]=4 1877 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br MC433601 [0,2,0,0,0,0|1,0,0]=3 1878 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N CS14704 [0,2,0,0,0,0|0,0,0]=2 1879 B12R1.1005 CC1=CC(C(N)=O)=CC(C)=C1Br MC106554 [0,2,0,0,0,0|2,0,0]=4 1880 B12R1.1005 CC1=CC(C(N)=O)=CC(Cl)=C1Cl MC109840 [0,2,0,0,0,0|2,0,0]=4 1881 B12R1.1005 CC1=CC(C(N)=O)=CC(F)=C1F MC110207 [0,2,0,0,0,0|2,0,0]=4 1882 B12R1.1005 NC(=O)C1=CC(Br)=C(Br)C(F)=C1 MC108825 [0,2,0,0,0,0|2,0,0]=4 1883 B12R1.1005 NC(=O)C1=CC(Cl)=C(Cl)C(F)=C1 MC109604 [0,2,0,0,0,0|2,0,0]=4 1884 B12R1.1005 NC(=O)C1=CC(Cl)=C(F)C(Cl)=C1 MC109605 [0,2,0,0,0,0|2,0,0]=4 1885 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br CS20067 [0,2,0,0,0,0|0,0,0]=2 1886 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1F CS17397 [0,2,0,0,0,0|0,0,0]=2 1887 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 MC20816 [0,2,0,0,0,0|1,0,0]=3 1888 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl MC433569 [0,2,0,0,0,0|0,0,0]=2 1889 B12R1.1005 NC1=C(Cl)C=C([N+](=O)[O-])C=C1Br CS18767 [0,2,0,0,0,0|1,0,1]=4 1890 B12R1.1005 NC1=C(Cl)C=C([N+](=O)[O-])C=C1Cl MC433303 [0,2,0,0,0,0|1,0,1]=4 1891 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F MC433573 [0,2,0,0,0,0|0,0,0]=2 1892 B12R1.1005 NC1=C(F)C=C([N+](=O)[O-])C=C1F MC31095 [0,2,0,0,0,0|1,0,1]=4 1893 B12R1.1005 NC1=C(I)C=C([N+](=O)[O-])C=C1I MC433312 [0,2,0,0,0,0|1,0,1]=4 1894 B12R1.1005 O=C(Cl)C1=CC(Br)=C(Br)C(F)=C1 MC108908 [0,2,0,0,0,0|2,0,0]=4 1895 B12R1.1005 O=C(Cl)C1=CC(Br)=C(Cl)C(F)=C1 MC107948 [0,2,0,0,0,0|2,0,0]=4 1896 B12R1.1005 O=C(Cl)C1=CC(Br)=C(F)C(Cl)=C1 MC107950 [0,2,0,0,0,0|2,0,0]=4 1897 B12R1.1005 O=C(Cl)C1=CC(Br)=C(F)C(F)=C1 MC108433 [0,2,0,0,0,0|2,0,0]=4 1898 B12R1.1005 O=C(Cl)C1=CC(Cl)=C(Br)C(F)=C1 MC107952 [0,2,0,0,0,0|2,0,0]=4 1899 B12R1.1005 O=C(Cl)C1=CC(Cl)=C(Cl)C(F)=C1 MC109661 [0,2,0,0,0,0|2,0,0]=4 1900 B12R1.1005 O=C(Cl)C1=CC(F)=C(Br)C(F)=C1 MC108434 [0,2,0,0,0,0|2,0,0]=4 1901 B12R1.1005 O=C(O)C1=CC(Br)=C(F)C(F)=C1 MC433597 [0,2,0,0,0,0|1,0,0]=3 1902 B12R1.1005 O=C(O)C1=CC(Br)=C(O)C(Br)=C1 CS14160 [0,2,0,0,0,0|1,0,0]=3 1903 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 CS12584 [0,2,0,0,0,0|1,0,0]=3 1904 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 MC30110 [0,2,0,0,0,0|1,0,0]=3 1905 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 MC433620 [0,2,0,0,0,0|1,0,0]=3 1906 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 MC443792 [0,2,0,0,0,0|1,0,0]=3 1907 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 CS16587 [0,2,0,0,0,0|1,0,0]=3 1908 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 MC40250 [0,2,0,0,0,0|1,0,0]=3 1909 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 MC30091 [0,2,0,0,0,0|1,0,0]=3 1910 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 MC40272 [0,2,0,0,0,0|1,0,0]=3 1911 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(F)=C1 MC442375 [0,2,0,0,0,0|1,0,0]=3 1912 B12R1.1005 O=C(O)C1=CC(O)=C(Br)C(O)=C1 MC40237 [0,2,0,0,0,0|1,0,0]=3 1913 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 MC427033 [0,2,0,0,0,0|1,0,0]=3 1914 B12R1.16 CCOC(=O)C1=CC=C(Br)C=C1 CS11362 [0,2,0,0,0,0|1,0,0]=3 1915 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 CS11363 [0,2,0,0,0,0|1,0,0]=3 1916 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 CS21694 [0,2,0,0,0,0|1,0,0]=3 1917 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 CS19762 [0,2,0,0,0,0|0,0,0]=2 1918 B12R1.16 CCOC(=O)C1=CC=C(N)N=N1 MC425265 [0,2,0,0,0,0|2,0,0]=4 1919 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 CS18640 [0,2,0,0,0,0|1,0,0]=3 1920 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 CS12492 [0,2,0,0,0,0|2,0,0]=4 1921 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 CS20898 [0,2,0,0,0,0|2,0,0]=4 1922 B12R1.16 CCOC(=O)C1=CN=C(N)N=C1 CS21311 [0,2,0,0,0,0|2,0,0]=4 1923 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 CS18817 [0,2,0,0,0,0|2,0,0]=4 1924 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 CS19325 [0,2,0,0,0,0|2,0,0]=4 1925 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 CS14696 [0,2,0,0,0,0|2,0,0]=4 1926 B12R1.16 CCOC(=O)C1=NC=C(N)C=C1 MC430639 [0,2,0,0,0,0|1,0,0]=3 1927 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 MC425285 [0,2,0,0,0,0|2,0,0]=4 1928 B12R1.16 N#CCC(=O)C1=CC=C(Cl)C=C1 CS10944 [0,2,0,0,0,0|2,0,0]=4 1929 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 MC20625 [0,2,0,0,0,0|2,0,0]=4 1930 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 MC41277 [0,2,0,0,0,0|2,0,0]=4 1931 B12R1.16 O=C(CCCl)C1=CC=C(Cl)C=C1 MC433259 [0,2,0,0,0,0|2,0,0]=4 1932 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 CS14887 [0,2,0,0,0,0|2,0,0]=4 1933 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 MC442253 [0,2,0,0,0,0|2,0,0]=4 1934 B12R1.1703 CNC(=O)C1=C(Br)C=C(F)C=C1 MC41012 [0,2,0,0,0,0|2,0,0]=4 1935 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 MC433813 [0,2,0,0,0,0|2,0,0]=4 1936 B12R1.1703 CNC(=O)C1=C(F)C=C(I)C=C1 MC433812 [0,2,0,0,0,0|2,0,0]=4 1937 B12R1.1703 CNC(=O)c1ccc(N)cc1F MC443851 [0,2,0,0,0,0|1,0,0]=3 1938 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 CS14759 [0,2,0,0,0,0|1,0,0]=3 1939 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 MC433602 [0,2,0,0,0,0|1,0,0]=3 1940 B12R1.1703 COC(=O)C1=C(Br)C=C(I)C=C1 MC103303 [0,2,0,0,0,0|1,0,0]=3 1941 B12R1.1703 COC(=O)C1=C(Br)N=C(C)C=C1 MC443365 [0,2,0,0,0,0|2,0,0]=4 1942 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 CS12236 [0,2,0,0,0,0|1,0,0]=3 1943 B12R1.1703 COC(=O)C1=C(C)C=C(F)C=C1 CS15071 [0,2,0,0,0,0|1,0,0]=3 1944 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 CS22283 [0,2,0,0,0,0|0,0,0]=2 1945 B12R1.1703 COC(=O)C1=C(C)C=C(O)C=C1 CS13812 [0,2,0,0,0,0|1,0,0]=3 1946 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 CS16936 [0,2,0,0,0,0|1,0,0]=3 1947 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 CS16949 [0,2,0,0,0,0|1,0,0]=3 1948 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 CS19781 [0,2,0,0,0,0|1,0,0]=3 1949 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 CS14483 [0,2,0,0,0,0|0,0,0]=2 1950 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 CS19702 [0,2,0,0,0,0|1,0,0]=3 1951 B12R1.1703 COC(=O)C1=C(Cl)N=C(Br)C=C1 MC431232 [0,2,0,0,0,0|2,0,0]=4 1952 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 CS13466 [0,2,0,0,0,0|1,0,0]=3 1953 B12R1.1703 COC(=O)C1=C(F)C=C(C)C=C1 MC429625 [0,2,0,0,0,0|1,0,0]=3 1954 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 CS19771 [0,2,0,0,0,0|1,0,0]=3 1955 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 MC433679 [0,2,0,0,0,0|1,0,0]=3 1956 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 CS18453 [0,2,0,0,0,0|0,0,0]=2 1957 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 CS13813 [0,2,0,0,0,0|1,0,0]=3 1958 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 CS17031 [0,2,0,0,0,0|2,0,0]=4 1959 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 CS13629 [0,2,0,0,0,0|1,0,0]=3 1960 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 CS12400 [0,2,0,0,0,0|1,0,0]=3 1961 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)C=C1 MC20246 [0,2,0,0,0,0|1,0,0]=3 1962 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 MC429410 [0,2,0,0,0,0|1,0,0]=3 1963 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 MC433676 [0,2,0,0,0,0|1,0,0]=3 1964 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 CS21027 [0,2,0,0,0,0|0,0,0]=2 1965 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 CS11594 [0,2,0,0,0,0|1,0,0]=3 1966 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1O CS11643 [0,2,0,0,0,0|1,0,0]=3 1967 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl MC33266 [0,2,0,0,0,0|2,0,0]=4 1968 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C MC431919 [0,2,0,0,0,0|2,0,0]=4 1969 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl CS15535 [0,2,0,0,0,0|2,0,0]=4 1970 B12R1.1703 COC(=O)C1=CN=C(F)C=C1F MC431866 [0,2,0,0,0,0|2,0,0]=4 1971 B12R1.1703 COC(=O)C1=CN=C(N)N=C1C MC442170 [0,2,0,0,0,0|2,0,0]=4 1972 B12R1.1703 COC(=O)C1=CN=C(N)NC1=O MC442169 [0,2,0,0,0,0|2,0,0]=4 1973 B12R1.1703 COC(=O)C1=CN=C(O)C=C1O MC33270 [0,2,0,0,0,0|2,0,0]=4 1974 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C CS17567 [0,2,0,0,0,0|2,0,0]=4 1975 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl CS17200 [0,2,0,0,0,0|2,0,0]=4 1976 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O CS15641 [0,2,0,0,0,0|2,0,0]=4 1977 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1Br MC106512 [0,2,0,0,0,0|2,0,0]=4 1978 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N MC431192 [0,2,0,0,0,0|2,0,0]=4 1979 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1O MC102705 [0,2,0,0,0,0|2,0,0]=4 1980 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C MC431705 [0,2,0,0,0,0|2,0,0]=4 1981 B12R1.1703 COC(=O)C1=NC=C(F)C=C1Cl MC432344 [0,2,0,0,0,0|2,0,0]=4 1982 B12R1.1703 N=C(NO)C1=C(F)C=C(O)C=C1 CS16684 [0,2,0,0,0,0|2,0,0]=4 1983 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 MC41224 [0,2,0,0,0,0|2,0,0]=4 1984 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 CS13247 [0,2,0,0,0,0|2,0,0]=4 1985 B12R1.1703 O=C(CBr)C1=C(F)C=C(F)C=C1 MC429429 [0,2,0,0,0,0|2,0,0]=4 1986 B12R1.1703 O=C(CCl)C1=C(F)C=C(F)C=C1 CS10678 [0,2,0,0,0,0|2,0,0]=4 1987 B12R1.1703 O=C(CF)C1=C(O)C=C(Br)C=C1 MC433215 [0,2,0,0,0,0|2,0,0]=4 1988 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=C1 CS22649 [0,2,0,0,0,0|1,0,0]=3 1989 B12R1.57 COC1=C(C(=O)O)C=CC(Br)=N1 MC431231 [0,2,0,0,0,0|2,0,0]=4 1990 B12R1.57 COC1=C(C(=O)O)C=CC(C)=C1 MC40301 [0,2,0,0,0,0|1,0,0]=3 1991 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 CS10785 [0,2,0,0,0,0|1,0,0]=3 1992 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=N1 MC441307 [0,2,0,0,0,0|2,0,0]=4 1993 B12R1.57 COC1=C(C(=O)O)C=CC(F)=C1 CS14268 [0,2,0,0,0,0|1,0,0]=3 1994 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 MC441122 [0,2,0,0,0,0|2,0,0]=4 1995 B12R1.57 COC1=C(C(=O)O)C=CC(O)=C1 MC442318 [0,2,0,0,0,0|1,0,0]=3 1996 B12R1.57 COC1=C(C(C)=O)C=CC(Br)=C1 CS16731 [0,2,0,0,0,0|2,0,0]=4 1997 B12R1.57 COC1=C(C(C)=O)C=CC(F)=C1 MC31158 [0,2,0,0,0,0|2,0,0]=4 1998 B12R1.57 COC1=C(C(C)=O)C=NC(N)=C1 MC429827 [0,2,0,0,0,0|2,0,0]=4 1999 B12R1.57 COC1=C([N+](=O)[O-])C=CC(N)=C1 CS16631 [0,2,0,0,0,0|1,0,1]=4 2000 B12R1.57 COC1=CC(Cl)=NC=C1C(=O)O CS10679 [0,2,0,0,0,0|2,0,0]=4 2001 B12R1.57 N#CC1=C(C(=O)O)C=CC(F)=C1 MC431610 [0,2,0,0,0,0|1,0,0]=3 2002 B12R1.57 NC1=CC(CO)=C([N+](=O)[O-])C=C1 CS15580 [0,2,0,0,0,0|1,0,1]=4 2003 B12R1.1000 CC(=O)C1=C(Br)C=C(Br)C=C1F MC108790 [0,2,0,0,0,0|2,0,0]=4 2004 B12R1.1000 CC(=O)C1=C(Br)C=C(F)C=C1Br MC108794 [0,2,0,0,0,0|2,0,0]=4 2005 B12R1.1000 CC(=O)C1=C(Br)C=C(F)C=C1F MC108394 [0,2,0,0,0,0|2,0,0]=4 2006 B12R1.1000 CC(=O)C1=C(Cl)C=C(C)C=C1Cl MC109832 [0,2,0,0,0,0|2,0,0]=4 2007 B12R1.1000 CC(=O)C1=C(Cl)C=C(Cl)C=C1C MC109829 [0,2,0,0,0,0|2,0,0]=4 2008 B12R1.1000 CC(=O)C1=C(Cl)C=C(F)C=C1Cl MC109583 [0,2,0,0,0,0|2,0,0]=4 2009 B12R1.1000 CC(=O)C1=C(F)C=C(F)C=C1C MC110189 [0,2,0,0,0,0|2,0,0]=4 2010 B12R1.1000 CC(=O)C1=C(F)C=C(F)C=C1F MC20218 [0,2,0,0,0,0|2,0,0]=4 2011 B12R1.1000 CC(=O)C1=C(N)C=C(F)C=C1F MC430987 [0,2,0,0,0,0|2,0,0]=4 2012 B12R1.1000 CC(=O)C1=C(O)C=C(O)C=C1O CS20960 [0,2,0,0,0,0|2,0,0]=4 2013 B12R1.1000 CC1=C(C(=O)O)C(Cl)=CC(Cl)=N1 CS13454 [0,2,0,0,0,0|2,0,0]=4 2014 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(=O)O CS13063 [0,2,0,0,0,0|1,0,0]=3 2015 B12R1.1000 CC1=CC(Br)=CC(F)=C1C(=O)O CS15623 [0,2,0,0,0,0|1,0,0]=3 2016 B12R1.1000 CC1=CC(C)=C(C(=O)Cl)C(C)=C1 MC40507 [0,2,0,0,0,0|2,0,0]=4 2017 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(C)=C1 MC433138 [0,2,0,0,0,0|1,0,0]=3 2018 B12R1.1000 CC1=CC(C)=NC(C)=C1C(=O)O MC442149 [0,2,0,0,0,0|2,0,0]=4 2019 B12R1.1000 CC1=CC(C)=NC(Cl)=C1C(=O)O MC442154 [0,2,0,0,0,0|2,0,0]=4 2020 B12R1.1000 CC1=CC(Cl)=NC(Cl)=C1C(=O)O CS21168 [0,2,0,0,0,0|2,0,0]=4 2021 B12R1.1000 CC1=CC(F)=C(C(=O)Cl)C(F)=C1 MC110260 [0,2,0,0,0,0|2,0,0]=4 2022 B12R1.1000 CC1=CC(F)=C(C(=O)O)C(F)=C1 CS15054 [0,2,0,0,0,0|1,0,0]=3 2023 B12R1.1000 CC1=CC(F)=C(C(N)=O)C(F)=C1 MC110205 [0,2,0,0,0,0|2,0,0]=4 2024 B12R1.1000 CC1=CC(F)=CC(Br)=C1C(=O)O MC20022 [0,2,0,0,0,0|1,0,0]=3 2025 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O MC433671 [0,2,0,0,0,0|1,0,0]=3 2026 B12R1.1000 CC1=CC(F)=CC(F)=C1C(=O)Cl MC110259 [0,2,0,0,0,0|2,0,0]=4 2027 B12R1.1000 CC1=CC(F)=CC(F)=C1C(N)=O MC110203 [0,2,0,0,0,0|2,0,0]=4 2028 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 MC442209 [0,2,0,0,0,0|1,0,0]=3 2029 B12R1.1000 CC1=NC(N)=NC(C)=C1C(=O)O MC442167 [0,2,0,0,0,0|2,0,0]=4 2030 B12R1.1000 NC(=O)C1=C(Br)C=C(F)C=C1Br MC108823 [0,2,0,0,0,0|2,0,0]=4 2031 B12R1.1000 NC(=O)C1=C(Br)C=C(F)C=C1F MC108399 [0,2,0,0,0,0|2,0,0]=4 2032 B12R1.1000 NC1=C(C(=O)O)C(Br)=CC(Br)=C1 CS13123 [0,2,0,0,0,0|1,0,0]=3 2033 B12R1.1000 NC1=C(C(=O)O)C(Cl)=CC(Cl)=C1 CS21237 [0,2,0,0,0,0|1,0,0]=3 2034 B12R1.1000 NC1=C(C(=O)O)C(F)=CC(Br)=C1 MC107291 [0,2,0,0,0,0|1,0,0]=3 2035 B12R1.1000 NC1=C(C(=O)O)C(F)=CC(F)=C1 CS21238 [0,2,0,0,0,0|1,0,0]=3 2036 B12R1.1000 O=C(Cl)C1=C(Br)C=C(Cl)C=C1F MC107943 [0,2,0,0,0,0|2,0,0]=4 2037 B12R1.1000 O=C(Cl)C1=C(Br)C=C(F)C=C1Br MC108906 [0,2,0,0,0,0|2,0,0]=4 2038 B12R1.1000 O=C(Cl)C1=C(Br)C=C(F)C=C1Cl MC107946 [0,2,0,0,0,0|2,0,0]=4 2039 B12R1.1000 O=C(Cl)C1=C(Cl)C=C(Br)C=C1F MC107951 [0,2,0,0,0,0|2,0,0]=4 2040 B12R1.1000 O=C(Cl)C1=C(Cl)C=C(Cl)C=C1F MC109658 [0,2,0,0,0,0|2,0,0]=4 2041 B12R1.1000 O=C(Cl)C1=C(F)C=C(F)C=C1F MC30150 [0,2,0,0,0,0|2,0,0]=4 2042 B12R1.1000 O=C(O)C1=C(Br)C=C(Cl)C=C1F MC432416 [0,2,0,0,0,0|1,0,0]=3 2043 B12R1.1000 O=C(O)C1=C(Cl)C=C(Br)C=C1Cl MC443322 [0,2,0,0,0,0|1,0,0]=3 2044 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1Cl MC433135 [0,2,0,0,0,0|1,0,0]=3 2045 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)C=C1F MC20839 [0,2,0,0,0,0|1,0,0]=3 2046 B12R1.1000 O=C(O)C1=C(Cl)C=C(F)C=C1F MC432271 [0,2,0,0,0,0|1,0,0]=3 2047 B12R1.1000 O=C(O)C1=C(Cl)C=C(I)C=C1Cl MC121202 [0,2,0,0,0,0|1,0,0]=3 2048 B12R1.1000 O=C(O)C1=C(Cl)N=C(Cl)C=C1Cl MC431208 [0,2,0,0,0,0|2,0,0]=4 2049 B12R1.1000 O=C(O)C1=C(F)C=C(Br)C=C1F CS10154 [0,2,0,0,0,0|1,0,0]=3 2050 B12R1.1000 O=C(O)C1=C(F)C=C(Cl)C=C1F MC430334 [0,2,0,0,0,0|1,0,0]=3 2051 B12R1.1000 O=C(O)C1=C(F)C=C(F)C=C1F MC20019 [0,2,0,0,0,0|1,0,0]=3 2052 B12R1.1000 O=C(O)C1=C(F)C=C(O)C=C1F MC40270 [0,2,0,0,0,0|1,0,0]=3 2053 B10R2.6 C1=CC=C(C2CO2)C=C1 MC20326 [1,0,0,1,0,0|1,0,1]=4 2054 B10R2.6 C1=CC=C(C2CO2)C=C1 MC445226 [1,0,0,1,0,0|1,0,1]=4 2055 B12R2.606 CC1=CC2=C(C=C(O)C=C2)O1 MC111383 [0,0,0,1,0,1|2,0,0]=4 2056 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,0,0,1,0,1|2,0,0]=4 2057 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 CS15472 [0,0,0,1,0,1|2,0,0]=4 2058 B12R2.606 CC1=NC2=C(C=C(Br)C=C2)O1 CS10632 [0,0,0,1,0,1|2,0,0]=4 2059 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 MC442522 [0,0,0,1,0,1|2,0,0]=4 2060 B12R2.606 CC1=NC2=C(C=C(N)C=C2)N1 MC442521 [0,0,0,1,0,1|2,0,0]=4 2061 B12R2.606 CC1=NC2=C(C=C(O)C=C2)O1 MC427398 [0,0,0,1,0,1|2,0,0]=4 2062 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS12509 [0,0,0,1,0,1|2,0,0]=4 2063 B12R2.606 CC1=NC2=C(C=CC(N)=C2)N1 CS21670 [0,0,0,1,0,1|2,0,0]=4 2064 B12R2.606 ClC1=CC2=C(C=C1)N=C(Cl)O2 MC31129 [0,0,0,1,0,1|2,0,0]=4 2065 B12R2.606 FC1=CC2=C(C=C1)N=C(Cl)O2 CS15195 [0,0,0,1,0,1|2,0,0]=4 2066 B12R2.606 NC1=CC2=C(C=C1)N=C(Br)S2 CS12811 [0,0,0,1,0,1|1,1,0]=4 2067 B12R2.606 NC1=CC2=C(C=C1)N=C(Cl)S2 CS21493 [0,0,0,1,0,1|1,1,0]=4 2068 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 CS10376 [0,0,0,1,0,1|1,0,0]=3 2069 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 MC111395 [0,0,0,1,0,1|1,0,0]=3 2070 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 CS21571 [0,0,0,1,0,1|1,0,0]=3 2071 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC427120 [0,0,0,1,0,1|1,0,0]=3 2072 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 MC446685 [0,0,0,1,0,1|1,0,0]=3 2073 B12R2.606 NC1=NC2=C(C=C(Br)C=C2)O1 MC443172 [0,0,0,1,0,1|2,0,0]=4 2074 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 CS22042 [0,0,0,1,0,1|2,0,0]=4 2075 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 CS22052 [0,0,0,1,0,1|2,0,0]=4 2076 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 CS22061 [0,0,0,1,0,1|2,0,0]=4 2077 B12R2.606 O=C1CC2=CC=C(Br)C=C2N1 CS20688 [0,0,0,1,0,1|2,0,0]=4 2078 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 CS22102 [0,0,0,1,0,1|2,0,0]=4 2079 B12R2.606 O=C1CC2=CC=C(F)C=C2N1 CS22112 [0,0,0,1,0,1|2,0,0]=4 2080 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)N1 CS18286 [0,0,0,1,0,1|2,0,0]=4 2081 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CS13902 [0,0,0,1,0,1|1,0,0]=3 2082 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)S1 CS15336 [0,0,0,1,0,1|1,1,0]=4 2083 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)N1 CS10315 [0,0,0,1,0,1|2,0,0]=4 2084 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 MC31174 [0,0,0,1,0,1|1,1,0]=4 2085 B12R2.606 O=C1NC2=C(C=C(F)C=C2)N1 MC425675 [0,0,0,1,0,1|2,0,0]=4 2086 B12R2.606 O=C1NC2=C(C=C(F)C=C2)S1 MC31175 [0,0,0,1,0,1|1,1,0]=4 2087 B12R2.606 O=C1NC2=C(C=C(I)C=C2)N1 MC101888 [0,0,0,1,0,1|2,0,0]=4 2088 B12R2.606 O=C1NC2=C(C=CC(Br)=C2)O1 MC443377 [0,0,0,1,0,1|2,0,0]=4 2089 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 MC445105 [0,0,0,1,0,1|2,0,0]=4 2090 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 MC115929 [0,1,0,1,0,0|1,0,0]=3 2091 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 MC446693 [0,1,0,1,0,0|2,0,0]=4 2092 B12R2.612 CC1=COC2=C1C=CC(Br)=C2 MC441296 [0,1,0,1,0,0|2,0,0]=4 2093 B12R2.612 CC1=NNC2=CC(N)=CC=C21 MC441348 [0,1,0,1,0,0|2,0,0]=4 2094 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 CS12249 [0,1,0,1,0,0|2,0,0]=4 2095 B12R2.612 ClC1=CC2=C(C=C1)C(Cl)=NO2 CS15249 [0,1,0,1,0,0|2,0,0]=4 2096 B12R2.612 ClC1=NOC2=C1C=CC(Br)=C2 MC442243 [0,1,0,1,0,0|2,0,0]=4 2097 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NO2 MC115930 [0,1,0,1,0,0|2,0,0]=4 2098 B12R2.612 NC1=CC=C2C(=C1)NN=C2I MC444405 [0,1,0,1,0,0|2,0,0]=4 2099 B12R2.612 NC1=CC=C2C(=O)CCC2=C1 MC446737 [0,1,0,1,0,0|1,0,0]=3 2100 B12R2.612 NC1=CC=C2C(=O)NCC2=C1 MC100084 [0,1,0,1,0,0|1,0,0]=3 2101 B12R2.612 NC1=NOC2=C1C=CC(Br)=C2 CS10654 [0,1,0,1,0,0|2,0,0]=4 2102 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS21498 [0,1,0,1,0,0|2,0,0]=4 2103 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 CS22043 [0,1,0,1,0,0|2,0,0]=4 2104 B12R2.612 O=C1CCC2=CC(F)=CC=C12 MC10164 [0,1,0,1,0,0|2,0,0]=4 2105 B12R2.612 O=C1CCC2=CC(O)=CC=C12 CS11017 [0,1,0,1,0,0|2,0,0]=4 2106 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 MC115907 [0,1,0,1,0,0|1,0,0]=3 2107 B12R2.612 O=C1COC2=C1C=CC(Cl)=C2 CS15082 [0,1,0,1,0,0|1,0,0]=3 2108 B12R2.612 O=C1COC2=C1C=CC(O)=C2 CS20793 [0,1,0,1,0,0|1,0,0]=3 2109 B12R2.612 O=C1NCC2=CC(Br)=CC=C12 CS12118 [0,1,0,1,0,0|2,0,0]=4 2110 B12R2.612 O=C1NCC2=CC(Cl)=CC=C12 CS10349 [0,1,0,1,0,0|2,0,0]=4 2111 B12R2.612 O=C1NCC2=CC(F)=CC=C12 CS15892 [0,1,0,1,0,0|2,0,0]=4 2112 B12R2.612 O=C1NCC2=CC(O)=CC=C12 CS15015 [0,1,0,1,0,0|2,0,0]=4 2113 B12R2.612 O=C1NNC2=CC(F)=CC=C12 CS10702 [0,1,0,1,0,0|2,0,0]=4 2114 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 CS16833 [0,1,0,1,0,0|1,0,0]=3 2115 B12R2.612 O=C1OCC2=C1C=NC(Cl)=C2 MC104939 [0,1,0,1,0,0|2,0,0]=4 2116 B12R2.612 O=C1OCC2=CC(Br)=CC=C12 CS10666 [0,1,0,1,0,0|1,0,0]=3 2117 B12R2.612 O=C1OCC2=CC(F)=CC=C12 MC113738 [0,1,0,1,0,0|1,0,0]=3 2118 B12R2.612 OC1=NNC2=CC(Br)=CC=C21 CS10623 [0,1,0,1,0,0|2,0,0]=4 2119 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 MC20600 [0,1,0,1,0,0|1,0,1]=4 2120 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,0,0,0,1,0|2,0,0]=4 2121 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,0,0,0,1,0|2,0,0]=4 2122 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,0,0,0,1,0|2,0,0]=4 2123 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,0,1,0|2,0,0]=4 2124 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [1,0,0,0,1,0|2,0,0]=4 2125 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [1,0,0,0,1,0|2,0,0]=4 2126 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [1,0,0,0,1,0|2,0,0]=4 2127 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [1,0,0,0,1,0|2,0,0]=4 2128 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [1,0,0,0,1,0|2,0,0]=4 2129 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [1,0,0,0,1,0|2,0,0]=4 2130 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [1,0,0,0,1,0|2,0,0]=4 2131 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,0,0,0,1,0|2,0,0]=4 2132 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,0,0,0,1,0|2,0,0]=4 2133 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [1,0,0,0,1,0|2,0,0]=4 2134 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,0,1,0|2,0,0]=4 2135 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,0,1,0|2,0,0]=4 2136 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,0,1,0|2,0,0]=4 2137 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,1,0|1,0,0]=3 2138 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,0,1,0|1,0,0]=3 2139 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,0,1,0|1,0,0]=3 2140 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,0,0,0,1,0|2,0,0]=4 2141 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,0,0,0,1,0|2,0,0]=4 2142 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,0,0,0,1,0|1,0,0]=3 2143 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,0,0,0,1,0|2,0,0]=4 2144 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [1,0,0,0,1,0|2,0,0]=4 2145 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,0,0,0,1,0|1,0,0]=3 2146 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,0,0,0,1,0|2,0,0]=4 2147 B8R1.7 O=C(O)C1=CON=C1 MC428244 [1,0,0,0,1,0|2,0,0]=4 2148 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,0,0,0,1,0|1,0,0]=3 2149 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,0,0,0,1,0|2,0,0]=4 2150 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [1,0,0,0,1,0|2,0,0]=4 2151 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,1,0|2,0,0]=4 2152 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,0,0,0,1,0|2,0,0]=4 2153 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,0,0,0,1,0|2,0,0]=4 2154 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,0,0,0,1,0|2,0,0]=4 2155 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,0,0,0,1,0|2,0,0]=4 2156 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,0,0,0,1,0|2,0,0]=4 2157 B10R1.18 BrC(Br)=CC1=CC=CC=C1 CS16193 [1,0,0,0,0,1|2,0,0]=4 2158 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,0,1|2,0,0]=4 2159 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,0,1|2,0,0]=4 2160 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,0,1|2,0,0]=4 2161 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,0,1|1,0,0]=3 2162 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [1,0,0,0,0,1|1,0,0]=3 2163 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [1,0,0,0,0,1|1,0,0]=3 2164 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [1,0,0,0,0,1|1,0,0]=3 2165 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [1,0,0,0,0,1|1,0,0]=3 2166 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [1,0,0,0,0,1|2,0,0]=4 2167 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,0,1|1,0,0]=3 2168 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,0,1|1,0,0]=3 2169 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [1,0,0,0,0,1|2,0,0]=4 2170 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [1,0,0,0,0,1|2,0,0]=4 2171 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,0,1|1,0,0]=3 2172 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [1,0,0,0,0,1|2,0,0]=4 2173 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [1,0,0,0,0,1|2,0,0]=4 2174 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,0,1|0,0,1]=3 2175 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [0,0,0,0,0,2|2,0,0]=4 2176 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 MC431712 [0,0,0,0,0,2|2,0,0]=4 2177 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 MC41308 [0,0,0,0,0,2|2,0,0]=4 2178 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 MC40217 [0,0,0,0,0,2|1,0,0]=3 2179 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [0,0,0,0,0,2|0,0,0]=2 2180 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS15944 [0,0,0,0,0,2|1,0,0]=3 2181 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 CS17825 [0,0,0,0,0,2|1,0,0]=3 2182 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [0,0,0,0,0,2|1,0,0]=3 2183 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [0,0,0,0,0,2|1,0,0]=3 2184 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [0,0,0,0,0,2|1,0,0]=3 2185 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 MC41825 [0,0,0,0,0,2|1,0,0]=3 2186 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 CS21504 [0,0,0,0,0,2|1,0,0]=3 2187 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 MC429571 [0,0,0,0,0,2|1,0,0]=3 2188 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 CS15820 [0,0,0,0,0,2|1,0,0]=3