0 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,0,0,0,0,0|1,1,0]=2 1 B10R1.58 CC1=C(Br)C=C(B(O)O)S1 CS10451 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.58 CN1N=C(C(=O)O)C=C1Br MC443314 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.58 CN1N=C(C(=O)O)C=C1Cl MC100365 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.58 CN1N=C(C(=O)O)C=C1N MC102000 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,0,0,0,0,0|1,1,0]=2 8 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,0,0,0,0,0|1,2,0]=3 9 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [1,0,0,0,0,0|1,2,0]=4 16 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [1,0,0,0,0,0|1,1,0]=3 25 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [1,0,0,0,0,0|0,1,0]=2 28 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [1,0,0,0,0,0|1,1,0]=3 29 B9R1.35 CC1=CSC(B(O)O)=C1 MC430054 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [1,0,0,0,0,0|0,1,0]=2 41 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [1,0,0,0,0,0|2,1,0]=4 42 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [1,0,0,0,0,0|1,2,0]=4 43 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [1,0,0,0,0,0|2,1,0]=4 44 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.35 NC1=NN=C(C(=O)O)S1 CS15409 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [1,0,0,0,0,0|1,2,0]=4 51 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [1,0,0,0,0,0|1,1,0]=3 54 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [1,0,0,0,0,0|2,1,0]=4 56 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [1,0,0,0,0,0|2,1,0]=4 57 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [1,0,0,0,0,0|1,1,0]=3 58 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [1,0,0,0,0,0|0,2,0]=3 59 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [1,0,0,0,0,0|0,1,0]=2 60 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [1,0,0,0,0,0|0,1,0]=2 61 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [1,0,0,0,0,0|0,0,0]=1 62 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [1,0,0,0,0,0|1,2,0]=4 63 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [1,0,0,0,0,0|2,1,0]=4 64 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [1,0,0,0,0,0|2,1,0]=4 65 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [1,0,0,0,0,0|2,1,0]=4 66 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [1,0,0,0,0,0|2,0,0]=3 67 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [1,0,0,0,0,0|2,1,0]=4 69 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [1,0,0,0,0,0|1,1,0]=3 71 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.35 O=[N+]([O-])C1=CC(Br)=CS1 MC427527 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.35 O=[N+]([O-])c1cnc(Cl)s1 CS14112 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.35 OB(O)C1=CC(Br)=CS1 MC107120 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.35 OB(O)C1=CC(F)=CS1 MC430811 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.48 O=CC1=C(Br)C=C(C(=O)O)S1 MC107896 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.226 COC(=O)C1=CC(F)=C(Br)S1 CS21777 [0,1,0,0,0,0|1,1,0]=3 80 B11R1.226 COC(=O)C1=CC(N)=C(Br)S1 CS16876 [0,1,0,0,0,0|1,1,0]=3 81 B11R1.226 COC(=O)C1=CC(N)=C(N)S1 MC115516 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.672 CC1=C(Br)NC(C(=O)O)=C1C MC106284 [0,1,0,0,0,0|1,1,0]=3 83 B11R1.672 O=C(O)C1=C(O)C(Cl)=C(Cl)S1 MC111812 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,0,0,0,0,1|2,1,0]=4 85 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,0,0,0,0,1|2,0,0]=3 86 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [0,0,0,0,0,1|2,0,0]=3 87 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,0,0,0,0,1|2,1,0]=4 88 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,0,0,0,0,1|3,0,0]=4 89 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,0,0,0,0,1|3,0,0]=4 90 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,0,0,0,0,1|3,0,0]=4 91 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,0,0,0,0,1|3,0,0]=4 92 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,0,0,0,0,1|3,0,0]=4 93 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [0,0,0,0,0,1|1,1,0]=3 94 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [0,0,0,0,0,1|1,1,0]=3 95 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,0,0,0,0,1|2,1,0]=4 96 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 MC41013 [0,0,0,0,0,1|2,1,0]=4 97 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,0,0,0,0,1|2,0,0]=3 98 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,0,0,0,0,1|2,0,0]=3 99 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [0,0,0,0,0,1|2,0,0]=3 100 B11R1.21 CC1=C(Cl)C=C(B(O)O)C=C1 MC20279 [0,0,0,0,0,1|2,0,1]=4 101 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [0,0,0,0,0,1|1,0,0]=2 102 B11R1.21 CC1=C(Cl)C=C(C(=O)[O-])C=C1 MC40343 [0,0,0,0,0,1|1,0,1]=3 103 B11R1.21 CC1=C(Cl)C=C([N+](=O)[O-])C=C1 MC41509 [0,0,0,0,0,1|2,0,1]=4 104 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 MC433626 [0,0,0,0,0,1|2,0,0]=3 105 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [0,0,0,0,0,1|1,0,0]=2 106 B11R1.21 CC1=C(Cl)C=CC([N+](=O)[O-])=C1 CS13608 [0,0,0,0,0,1|2,0,1]=4 107 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,0,0,0,0,1|1,0,0]=2 108 B11R1.21 CC1=C(Cl)N=CC(C(=O)O)=C1 MC429982 [0,0,0,0,0,1|1,0,0]=2 109 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [0,0,0,0,0,1|1,1,0]=3 110 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 MC40481 [0,0,0,0,0,1|2,1,0]=4 111 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [0,0,0,0,0,1|1,1,0]=3 112 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,0,0,0,0,1|2,1,0]=4 113 B11R1.21 CC1=C(I)C=C(C(=O)Cl)C=C1 MC433702 [0,0,0,0,0,1|2,1,0]=4 114 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [0,0,0,0,0,1|1,1,0]=3 115 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [0,0,0,0,0,1|2,0,0]=3 116 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [0,0,0,0,0,1|2,0,0]=3 117 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [0,0,0,0,0,1|2,0,0]=3 118 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [0,0,0,0,0,1|2,0,0]=3 119 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS17571 [0,0,0,0,0,1|1,1,0]=3 120 B11R1.21 CC1=CC([N+](=O)[O-])=CN=C1Cl CS19053 [0,0,0,0,0,1|2,0,1]=4 121 B11R1.21 CC1=CC([N+](=O)[O-])=NC=C1Cl MC429898 [0,0,0,0,0,1|2,0,1]=4 122 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [0,0,0,0,0,1|2,0,0]=3 123 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [0,0,0,0,0,1|1,1,0]=3 124 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [0,0,0,0,0,1|1,0,0]=2 125 B11R1.21 CC1=NC=C([N+](=O)[O-])C=C1Cl MC111874 [0,0,0,0,0,1|2,0,1]=4 126 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 CS14626 [0,0,0,0,0,1|3,0,0]=4 127 B11R1.21 CN1N=CC(C(=O)O)=CC1=O MC116439 [0,0,0,0,0,1|3,0,0]=4 128 B11R1.21 NC(=O)C1=NC(Cl)=C(Br)C=C1 MC108013 [0,0,0,0,0,1|3,0,0]=4 129 B11R1.21 NC(=O)C1=NC(Cl)=C(Cl)C=C1 MC110050 [0,0,0,0,0,1|3,0,0]=4 130 B11R1.21 NC1=C(Br)C=C(C(=O)O)C=C1 MC40225 [0,0,0,0,0,1|2,1,0]=4 131 B11R1.21 NC1=C(Br)C=CC(C(=O)O)=C1 MC33100 [0,0,0,0,0,1|2,1,0]=4 132 B11R1.21 NC1=C(Cl)C=CC(C(=O)O)=C1 CS20206 [0,0,0,0,0,1|2,0,0]=3 133 B11R1.21 NC1=C(F)C=C(C(=O)O)C=C1 CS20228 [0,0,0,0,0,1|2,1,0]=4 134 B11R1.21 NC1=C(F)C=CC(C(=O)O)=C1 CS10439 [0,0,0,0,0,1|2,1,0]=4 135 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 MC10142 [0,0,0,0,0,1|2,1,0]=4 136 B11R1.21 NC1=C(I)C=CC(C(=O)O)=C1 MC31156 [0,0,0,0,0,1|2,1,0]=4 137 B11R1.21 NC1=C(I)N=C(C(=O)O)C=N1 MC104768 [0,0,0,0,0,1|2,1,0]=4 138 B11R1.21 NC1=C(N)C=C(C(=O)O)C=C1 CS20381 [0,0,0,0,0,1|3,0,0]=4 139 B11R1.21 NC1=C(O)C=C(C(=O)O)C=C1 CS20332 [0,0,0,0,0,1|3,0,0]=4 140 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 CS10491 [0,0,0,0,0,1|3,0,0]=4 141 B11R1.21 NC1=CC(C(=O)O)=NC=C1F MC431827 [0,0,0,0,0,1|2,1,0]=4 142 B11R1.21 NC1=CC=C(C(=O)O)C=C1Cl MC20248 [0,0,0,0,0,1|2,0,0]=3 143 B11R1.21 NC1=NC=C(C(=O)O)C=C1Br CS12387 [0,0,0,0,0,1|2,1,0]=4 144 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br MC101922 [0,0,0,0,0,1|2,1,0]=4 145 B11R1.21 Nc1cc(C(=O)O)ncc1Br MC104060 [0,0,0,0,0,1|2,1,0]=4 146 B11R1.21 O=C(Cl)C1=CC(Cl)=C(Cl)C=C1 MC21024 [0,0,0,0,0,1|3,0,0]=4 147 B11R1.21 O=C(Cl)C1=CC(Cl)=C(F)C=C1 MC30275 [0,0,0,0,0,1|3,0,0]=4 148 B11R1.21 O=C(Cl)C1=CC(F)=C(Cl)C=C1 MC40454 [0,0,0,0,0,1|3,0,0]=4 149 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 CS13169 [0,0,0,0,0,1|3,0,0]=4 150 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 MC433643 [0,0,0,0,0,1|2,1,0]=4 151 B11R1.21 O=C(O)C1=CC(Br)=C(Cl)C=C1 CS19835 [0,0,0,0,0,1|2,0,0]=3 152 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 CS21914 [0,0,0,0,0,1|2,1,0]=4 153 B11R1.21 O=C(O)C1=CC(Br)=C(I)C=C1 CS16354 [0,0,0,0,0,1|2,1,0]=4 154 B11R1.21 O=C(O)C1=CC(Cl)=C(Br)C=C1 MC40236 [0,0,0,0,0,1|2,0,0]=3 155 B11R1.21 O=C(O)C1=CC(Cl)=C(Cl)C=C1 CS14672 [0,0,0,0,0,1|2,0,0]=3 156 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 CS19962 [0,0,0,0,0,1|2,0,0]=3 157 B11R1.21 O=C(O)C1=CC(Cl)=C(O)C=C1 CS20110 [0,0,0,0,0,1|2,0,0]=3 158 B11R1.21 O=C(O)C1=CC(F)=C(Br)C=C1 CS21990 [0,0,0,0,0,1|2,1,0]=4 159 B11R1.21 O=C(O)C1=CC(F)=C(Cl)C=C1 CS19967 [0,0,0,0,0,1|2,0,0]=3 160 B11R1.21 O=C(O)C1=CC(F)=C(F)C=C1 CS20015 [0,0,0,0,0,1|2,1,0]=4 161 B11R1.21 O=C(O)C1=CC(F)=C(I)C=C1 CS22285 [0,0,0,0,0,1|2,1,0]=4 162 B11R1.21 O=C(O)C1=CC(F)=C(O)C=C1 MC40282 [0,0,0,0,0,1|2,1,0]=4 163 B11R1.21 O=C(O)C1=CC(I)=C(Br)C=C1 MC441218 [0,0,0,0,0,1|2,1,0]=4 164 B11R1.21 O=C(O)C1=CC(I)=C(Cl)C=C1 MC434062 [0,0,0,0,0,1|2,0,0]=3 165 B11R1.21 O=C(O)C1=CC(I)=C(F)C=C1 CS12746 [0,0,0,0,0,1|2,1,0]=4 166 B11R1.21 O=C(O)C1=CC(I)=C(I)C=C1 MC441219 [0,0,0,0,0,1|2,1,0]=4 167 B11R1.21 O=C(O)C1=CC(O)=C(Br)C=C1 CS22662 [0,0,0,0,0,1|2,1,0]=4 168 B11R1.21 O=C(O)C1=CC(O)=C(Cl)C=C1 CS20111 [0,0,0,0,0,1|2,0,0]=3 169 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 MC40283 [0,0,0,0,0,1|2,1,0]=4 170 B11R1.21 O=C(O)C1=CC(O)=C(I)C=C1 CS18380 [0,0,0,0,0,1|2,1,0]=4 171 B11R1.21 O=C(O)C1=CC(O)=C(O)C=C1 CS20259 [0,0,0,0,0,1|3,0,0]=4 172 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 CS16864 [0,0,0,0,0,1|3,0,0]=4 173 B11R1.21 O=C(O)C1=CC=C(O)C(=O)N1 CS17670 [0,0,0,0,0,1|3,0,0]=4 174 B11R1.21 O=C(O)C1=CN=C(Br)C(Br)=C1 MC20828 [0,0,0,0,0,1|2,1,0]=4 175 B11R1.21 O=C(O)C1=CN=C(Br)C(F)=C1 MC431134 [0,0,0,0,0,1|2,1,0]=4 176 B11R1.21 O=C(O)C1=CN=C(Cl)C(Br)=C1 CS14093 [0,0,0,0,0,1|2,0,0]=3 177 B11R1.21 O=C(O)C1=CN=C(Cl)C(Cl)=C1 CS22861 [0,0,0,0,0,1|2,0,0]=3 178 B11R1.21 O=C(O)C1=CN=C(Cl)C(F)=C1 MC432210 [0,0,0,0,0,1|2,0,0]=3 179 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 CS13277 [0,0,0,0,0,1|2,1,0]=4 180 B11R1.21 O=C(O)C1=CN=C(F)C(F)=C1 MC103666 [0,0,0,0,0,1|2,1,0]=4 181 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [0,0,0,0,0,1|2,1,0]=4 182 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [0,0,0,0,0,1|2,0,0]=3 183 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [0,0,0,0,0,1|2,0,0]=3 184 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [0,0,0,0,0,1|2,0,0]=3 185 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [0,0,0,0,0,1|3,0,0]=4 186 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 CS17143 [0,0,0,0,0,1|3,0,0]=4 187 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS15157 [0,0,0,0,0,1|2,0,0]=3 188 B11R1.21 O=C(O)C1=NC=C(Cl)C(Br)=C1 MC430521 [0,0,0,0,0,1|2,0,0]=3 189 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [0,0,0,0,0,1|2,0,0]=3 190 B11R1.21 O=C([O-])C1=CC(Cl)=C(F)C=C1 MC40342 [0,0,0,0,0,1|2,0,1]=4 191 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,0,0,0,0,1|3,0,0]=4 192 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS10716 [0,0,0,0,0,1|3,0,0]=4 193 B11R1.74 CC(=O)C1=CC(Cl)=CC(F)=C1 MC41238 [0,0,0,0,0,1|3,0,0]=4 194 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,0,0,0,0,1|3,0,0]=4 195 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 MC427325 [0,0,0,0,0,1|3,0,0]=4 196 B11R1.74 CC1=CC(B(O)O)=CC(Cl)=C1 CS15680 [0,0,0,0,0,1|2,0,1]=4 197 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS12399 [0,0,0,0,0,1|1,1,0]=3 198 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 CS15533 [0,0,0,0,0,1|1,0,0]=2 199 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS14042 [0,0,0,0,0,1|1,0,0]=2 200 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 CS14703 [0,0,0,0,0,1|1,1,0]=3 201 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CS22319 [0,0,0,0,0,1|2,0,0]=3 202 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,0,0,0,0,1|2,0,0]=3 203 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 CS10680 [0,0,0,0,0,1|1,0,0]=2 204 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 MC20749 [0,0,0,0,0,1|3,0,0]=4 205 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 CS21904 [0,0,0,0,0,1|2,0,0]=3 206 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 MC433670 [0,0,0,0,0,1|2,0,0]=3 207 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,0,0,0,0,1|2,0,0]=3 208 B11R1.74 CC1=CC(Cl)=CC([N+](=O)[O-])=C1 MC434019 [0,0,0,0,0,1|2,0,1]=4 209 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 MC20267 [0,0,0,0,0,1|2,0,0]=3 210 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 MC432042 [0,0,0,0,0,1|3,0,0]=4 211 B11R1.74 NC(=O)C1=CC(Br)=NC(Cl)=C1 MC108011 [0,0,0,0,0,1|3,0,0]=4 212 B11R1.74 NC(=O)C1=CC(Cl)=CC(F)=C1 MC41016 [0,0,0,0,0,1|3,0,0]=4 213 B11R1.74 NC(=O)C1=CC(Cl)=NC(Cl)=C1 MC33473 [0,0,0,0,0,1|3,0,0]=4 214 B11R1.74 NC(=O)C1=NC(Cl)=CC(Cl)=C1 MC106128 [0,0,0,0,0,1|3,0,0]=4 215 B11R1.74 NC(=O)C1=NC(Cl)=NC(N)=C1 MC425277 [0,0,0,0,0,1|3,0,0]=4 216 B11R1.74 NC1=CC(Br)=CC(C(=O)O)=C1 CS22075 [0,0,0,0,0,1|2,1,0]=4 217 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 MC33509 [0,0,0,0,0,1|2,1,0]=4 218 B11R1.74 NC1=CC(C(=O)O)=NC(Cl)=C1 MC33512 [0,0,0,0,0,1|2,0,0]=3 219 B11R1.74 NC1=CC(F)=CC(C(=O)O)=C1 CS10981 [0,0,0,0,0,1|2,1,0]=4 220 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 MC433642 [0,0,0,0,0,1|3,0,0]=4 221 B11R1.74 NC1=CC(O)=CC(C(=O)O)=C1 CS22078 [0,0,0,0,0,1|3,0,0]=4 222 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 MC40441 [0,0,0,0,0,1|3,0,0]=4 223 B11R1.74 O=C(Cl)C1=CC(Cl)=CC(F)=C1 MC40453 [0,0,0,0,0,1|3,0,0]=4 224 B11R1.74 O=C(Cl)C1=CC(Cl)=NC(Cl)=C1 MC33136 [0,0,0,0,0,1|3,0,0]=4 225 B11R1.74 O=C(Cl)C1=NC(Cl)=CC(Cl)=C1 MC106018 [0,0,0,0,0,1|3,0,0]=4 226 B11R1.74 O=C(O)C1=CC(Br)=CC(Br)=C1 CS19812 [0,0,0,0,0,1|2,1,0]=4 227 B11R1.74 O=C(O)C1=CC(Br)=CC(Cl)=C1 CS12668 [0,0,0,0,0,1|2,0,0]=3 228 B11R1.74 O=C(O)C1=CC(Br)=CC(F)=C1 CS21917 [0,0,0,0,0,1|2,1,0]=4 229 B11R1.74 O=C(O)C1=CC(Br)=CC(I)=C1 MC20185 [0,0,0,0,0,1|2,1,0]=4 230 B11R1.74 O=C(O)C1=CC(Br)=CC(O)=C1 MC40243 [0,0,0,0,0,1|2,1,0]=4 231 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 CS13909 [0,0,0,0,0,1|2,1,0]=4 232 B11R1.74 O=C(O)C1=CC(Br)=NC(Cl)=C1 MC431578 [0,0,0,0,0,1|2,0,0]=3 233 B11R1.74 O=C(O)C1=CC(Cl)=CC(Cl)=C1 CS14664 [0,0,0,0,0,1|2,0,0]=3 234 B11R1.74 O=C(O)C1=CC(Cl)=CC(F)=C1 MC33092 [0,0,0,0,0,1|2,0,0]=3 235 B11R1.74 O=C(O)C1=CC(Cl)=CC(I)=C1 CS22224 [0,0,0,0,0,1|2,0,0]=3 236 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 CS18670 [0,0,0,0,0,1|2,0,0]=3 237 B11R1.74 O=C(O)C1=CC(F)=CC(F)=C1 MC30103 [0,0,0,0,0,1|2,1,0]=4 238 B11R1.74 O=C(O)C1=CC(F)=CC(I)=C1 MC433681 [0,0,0,0,0,1|2,1,0]=4 239 B11R1.74 O=C(O)C1=CC(F)=CC(O)=C1 CS14447 [0,0,0,0,0,1|2,1,0]=4 240 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 MC430002 [0,0,0,0,0,1|2,1,0]=4 241 B11R1.74 O=C(O)C1=CC(I)=CC(I)=C1 MC433664 [0,0,0,0,0,1|2,1,0]=4 242 B11R1.74 O=C(O)C1=CC(O)=CC(I)=C1 MC442504 [0,0,0,0,0,1|2,1,0]=4 243 B11R1.74 O=C(O)C1=CC(O)=CC(O)=C1 MC20481 [0,0,0,0,0,1|3,0,0]=4 244 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 MC442155 [0,0,0,0,0,1|2,1,0]=4 245 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 MC431198 [0,0,0,0,0,1|2,1,0]=4 246 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 CS17530 [0,0,0,0,0,1|2,0,0]=3 247 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 CS22506 [0,0,0,0,0,1|2,0,0]=3 248 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=N1 MC430246 [0,0,0,0,0,1|3,0,0]=4 249 B11R1.74 O=C(O)C1=NC(Cl)=CC(F)=C1 MC431621 [0,0,0,0,0,1|2,0,0]=3 250 B11R1.74 O=C(O)C1=NC(F)=CC(Br)=C1 MC431181 [0,0,0,0,0,1|2,1,0]=4 251 B11R1.74 O=C(O)c1cc(O)nc(O)c1 CS16429 [0,0,0,0,0,1|3,0,0]=4 252 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 CS15532 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.1 C#CC1=CC=C(Cl)S1 MC114858 [2,0,0,0,0,0|1,0,1]=4 254 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [2,0,0,0,0,0|1,0,0]=3 257 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.1 CC1=COC(C=O)=C1 MC104341 [2,0,0,0,0,0|0,1,0]=3 259 B8R1.1 CC1=COC(C=O)=N1 MC104070 [2,0,0,0,0,0|1,1,0]=4 260 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.1 ClCC1=CC=C(Cl)S1 CS17500 [2,0,0,0,0,0|1,0,1]=4 264 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [2,0,0,0,0,0|1,1,0]=4 267 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [2,0,0,0,0,0|1,0,0]=3 271 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [2,0,0,0,0,0|0,1,0]=3 272 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [2,0,0,0,0,0|0,2,0]=4 273 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.1 O=CC1=NC=C(Br)S1 MC431683 [2,0,0,0,0,0|1,1,0]=4 275 B8R1.1 O=CC1=NC=C(Cl)S1 MC425505 [2,0,0,0,0,0|1,0,0]=3 276 B8R1.1 O=CC1=NC=C(I)S1 MC431752 [2,0,0,0,0,0|1,1,0]=4 277 B8R1.1 OCC1=CC(Cl)=CS1 MC102399 [2,0,0,0,0,0|1,0,1]=4 278 B8R1.1 OCC1=CC=C(F)S1 MC113611 [2,0,0,0,0,0|0,1,1]=4 279 B8R1.18 CC1=C(Br)SC(Br)=C1 MC442189 [2,0,0,0,0,0|1,1,0]=4 280 B8R1.18 CC1=C(Cl)SC(Br)=C1 MC442569 [2,0,0,0,0,0|1,0,0]=3 281 B8R1.18 CC1=C(Cl)SC(Cl)=C1 CS17499 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.18 ClC1=C(Cl)SC(Br)=C1 CS16855 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [2,0,0,0,0,0|1,1,0]=4 284 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [2,0,0,0,0,0|2,0,0]=4 286 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [2,0,0,0,0,0|0,1,0]=3 288 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [2,0,0,0,0,0|0,0,0]=2 289 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [2,0,0,0,0,0|1,1,0]=4 290 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.7 O=C(O)C1=COC=C1 CS14540 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.7 O=C(O)C1=COC=N1 MC441322 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [2,0,0,0,0,0|1,1,0]=4 299 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.7 OB(O)C1=CC=CS1 CS22584 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [1,1,0,0,0,0|1,1,0]=4 306 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [1,1,0,0,0,0|1,1,0]=4 309 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [1,1,0,0,0,0|0,2,0]=4 310 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [1,1,0,0,0,0|0,1,0]=3 311 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [1,1,0,0,0,0|0,1,0]=3 312 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.14 COC(=O)C1=CN(C)C=N1 CS20747 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS17469 [1,1,0,0,0,0|1,1,0]=4 315 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS15219 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [1,1,0,0,0,0|2,0,0]=4 317 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS12427 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.14 COC(=O)C1=NC(Br)=CS1 MC121155 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.14 COC(=O)C1=NC(C)=NS1 MC42244 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [1,1,0,0,0,0|2,0,0]=4 322 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.14 COC(=O)C1=NOC(C)=C1 MC33072 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.31 N#CC1=CC=C(C(=O)O)O1 MC114976 [1,1,0,0,0,0|1,1,0]=4 325 B10R1.31 N#CC1=CC=C(C(=O)O)S1 CS14026 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.31 O=C(O)C1=CC(CO)=NN1 MC432486 [1,1,0,0,0,0|2,0,0]=4 327 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [1,1,0,0,0,0|1,1,0]=4 328 B10R1.31 O=C(O)C1=NOC(CO)=C1 MC107744 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.31 O=CC1=CC=C(C(=O)O)S1 MC41685 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.31 O=Cc1ccc(C(=O)O)o1 CS18919 [1,1,0,0,0,0|1,1,0]=4 331 B10R1.55 O=S(=O)(Cl)C1=CC=C(Cl)S1 MC20303 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.59 CC1=C(C(=O)O)N=C(Cl)S1 MC115914 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 MC442190 [1,1,0,0,0,0|0,1,0]=3 334 B10R1.59 CC1=C(C(=O)O)SC(Br)=N1 CS21361 [1,1,0,0,0,0|1,1,0]=4 335 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 CS21256 [1,1,0,0,0,0|2,0,0]=4 336 B10R1.59 CC1=C(C(=O)O)SC(O)=N1 CS12601 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CS10099 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.59 NC1=NC(Cl)=C(C(=O)O)S1 MC110584 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.59 O=C(O)C1=C(Br)N=C(Br)S1 CS10581 [1,1,0,0,0,0|1,1,0]=4 340 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 CS17244 [1,1,0,0,0,0|2,0,0]=4 341 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=N1 CS12412 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.59 O=C(O)C1=C(F)C=C(Br)S1 MC430778 [1,1,0,0,0,0|0,1,0]=3 343 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.194 CC1=NNC(C(=O)O)=C1C CS13567 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.194 CC1=NNC(C(=O)O)=C1O MC106331 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.194 CC1=NSC(C(=O)O)=C1Br MC116148 [1,1,0,0,0,0|1,0,0]=3 349 B10R1.194 CN1C(Br)=CC=C1C(=O)O CS12581 [1,1,0,0,0,0|1,1,0]=4 350 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 MC104432 [1,1,0,0,0,0|2,0,0]=4 351 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 CS15153 [0,1,0,0,0,1|2,0,0]=4 352 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 CS14645 [0,1,0,0,0,1|2,0,0]=4 353 B12R1.48 CNC1=C(Br)C=C(C(=O)O)C=C1 CS17356 [0,1,0,0,0,1|1,1,0]=4 354 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 MC111592 [0,1,0,0,0,1|1,1,0]=4 355 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 CS10651 [0,1,0,0,0,1|1,1,0]=4 356 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 MC30268 [0,1,0,0,0,1|2,0,0]=4 357 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 MC30277 [0,1,0,0,0,1|1,0,0]=3 358 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 MC30258 [0,1,0,0,0,1|1,1,0]=4 359 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 MC40229 [0,1,0,0,0,1|2,0,0]=4 360 B12R1.48 COC1=C(O)C=C(C(=O)O)C=C1 CS10864 [0,1,0,0,0,1|2,0,0]=4 361 B12R1.48 COC1=CN=C(C(=O)O)C=C1Cl MC104263 [0,1,0,0,0,1|1,0,0]=3 362 B12R1.48 COC1=CN=C(C(=O)O)C=C1O MC431993 [0,1,0,0,0,1|2,0,0]=4 363 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl MC20740 [0,1,0,0,0,1|1,0,0]=3 364 B12R1.48 COC1=NC=C(C(=O)O)C=C1F CS13290 [0,1,0,0,0,1|1,1,0]=4 365 B12R1.56 C#CC1=C(C)C=CC(C(=O)O)=C1 MC442815 [0,1,0,0,0,1|2,0,0]=4 366 B12R1.56 CC1=NC=C(C(=O)O)C=C1C#N MC431587 [0,1,0,0,0,1|2,0,0]=4 367 B12R1.56 CCC1=C(Br)C=CC(C(=O)O)=C1 MC428381 [0,1,0,0,0,1|1,1,0]=4 368 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 MC30294 [0,1,0,0,0,1|2,0,0]=4 369 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 CS22663 [0,1,0,0,0,1|1,1,0]=4 370 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 CS21939 [0,1,0,0,0,1|2,0,0]=4 371 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 CS20832 [0,1,0,0,0,1|1,0,0]=3 372 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 CS13301 [0,1,0,0,0,1|2,0,0]=4 373 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 CS16067 [0,1,0,0,0,1|1,1,0]=4 374 B12R1.56 COC1=C(N)C=CC(C(=O)O)=C1 CS21016 [0,1,0,0,0,1|2,0,0]=4 375 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 CS20951 [0,1,0,0,0,1|2,0,0]=4 376 B12R1.56 N#CC1=C(Cl)C=CC(C(=O)O)=C1 MC31025 [0,1,0,0,0,1|1,0,1]=4 377 B12R1.232 CC(=O)C1=C(Cl)C=C(C)C(Cl)=C1 MC109831 [0,1,0,0,0,1|2,0,0]=4 378 B12R1.232 CC1=C(C)N=C(C(=O)O)C(O)=N1 MC432149 [0,1,0,0,0,1|2,0,0]=4 379 B12R1.232 CC1=CC(Br)=C(C(=O)O)C=C1F MC20023 [0,1,0,0,0,1|1,1,0]=4 380 B12R1.232 CC1=CC(C(=O)Cl)=C(Cl)C=C1Cl MC109869 [0,1,0,0,0,1|2,0,0]=4 381 B12R1.232 CC1=CC(C(=O)O)=C(Br)C=C1F MC20021 [0,1,0,0,0,1|1,1,0]=4 382 B12R1.232 CC1=CC(C(=O)O)=C(Cl)N=C1C CS13795 [0,1,0,0,0,1|2,0,0]=4 383 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1Br CS22641 [0,1,0,0,0,1|1,1,0]=4 384 B12R1.232 CC1=CC(C(=O)O)=C(F)C=C1F CS20022 [0,1,0,0,0,1|1,1,0]=4 385 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1Br MC442289 [0,1,0,0,0,1|1,1,0]=4 386 B12R1.232 CC1=CC(C)=C(C(=O)O)C=C1C MC40317 [0,1,0,0,0,1|2,0,0]=4 387 B12R1.232 CC1=CC(Cl)=C(C(=O)Cl)C=C1Cl MC109871 [0,1,0,0,0,1|2,0,0]=4 388 B12R1.232 CC1=CC(Cl)=C(C(N)=O)C=C1Cl MC109839 [0,1,0,0,0,1|2,0,0]=4 389 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1F CS18575 [0,1,0,0,0,1|1,1,0]=4 390 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1O CS15678 [0,1,0,0,0,1|2,0,0]=4 391 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1C MC433576 [0,1,0,0,0,1|2,0,0]=4 392 B12R1.232 CC1=CC(N)=C(C(=O)O)C=C1O MC102236 [0,1,0,0,0,1|2,0,0]=4 393 B12R1.232 CC1=CC(O)=C(C(=O)O)C=C1I MC433697 [0,1,0,0,0,1|1,1,0]=4 394 B12R1.232 NC1=C(C(=O)O)C=C(Cl)C(Br)=C1 CS21240 [0,1,0,0,0,1|2,0,0]=4 395 B12R1.232 NC1=C(C(=O)O)C=C(F)C(Cl)=C1 CS15021 [0,1,0,0,0,1|2,0,0]=4 396 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl MC433570 [0,1,0,0,0,1|2,0,0]=4 397 B12R1.232 NC1=CC(Cl)=C(Cl)C=C1C(=O)O MC20250 [0,1,0,0,0,1|2,0,0]=4 398 B12R1.232 NC1=NC(Cl)=C(Cl)N=C1C(=O)O CS16802 [0,1,0,0,0,1|2,0,0]=4 399 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(Cl)=C1 CS19935 [0,1,0,0,0,1|2,0,0]=4 400 B12R1.232 O=C(O)C1=C(Cl)C=C(Cl)C(F)=C1 MC20018 [0,1,0,0,0,1|2,0,0]=4 401 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(Cl)=C1 CS16590 [0,1,0,0,0,1|2,0,0]=4 402 B12R1.232 O=C(O)C1=C(Cl)N=C(Cl)C(F)=C1 CS22833 [0,1,0,0,0,1|2,0,0]=4 403 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Br)=C1 CS10290 [0,1,0,0,0,1|2,0,0]=4 404 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(Cl)=C1 CS14091 [0,1,0,0,0,1|2,0,0]=4 405 B12R1.232 O=C(O)C1=C(F)C=C(Cl)C(F)=C1 MC30314 [0,1,0,0,0,1|2,0,0]=4 406 B12R1.232 O=C(O)C1=C(F)C=C(F)C(Cl)=C1 CS19683 [0,1,0,0,0,1|2,0,0]=4 407 B12R1.232 O=C(O)C1=C(O)C=C(Cl)C(Cl)=C1 MC432263 [0,1,0,0,0,1|2,0,0]=4 408 B12R1.232 O=C(O)C1=NC(Cl)=C(Cl)C=C1Cl CS12975 [0,1,0,0,0,1|2,0,0]=4 409 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 CS21663 [0,1,0,0,0,1|1,1,0]=4 410 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 CS13733 [0,1,0,0,0,1|1,1,0]=4 411 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 CS11642 [0,1,0,0,0,1|1,0,0]=3 412 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 CS13467 [0,1,0,0,0,1|1,1,0]=4 413 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 MC40109 [0,1,0,0,0,1|1,1,0]=4 414 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 CS13862 [0,1,0,0,0,1|2,0,0]=4 415 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 CS14199 [0,1,0,0,0,1|2,0,0]=4 416 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 MC40083 [0,1,0,0,0,1|2,0,0]=4 417 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 CS14385 [0,1,0,0,0,1|1,1,0]=4 418 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 CS14421 [0,1,0,0,0,1|2,0,0]=4 419 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 CS19409 [0,1,0,0,0,1|1,1,0]=4 420 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 CS10899 [0,1,0,0,0,1|2,0,0]=4 421 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 CS15706 [0,1,0,0,0,1|2,0,0]=4 422 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 MC443715 [0,1,0,0,0,1|1,1,0]=4 423 B12R1.367 COC(=O)C1=CN=C(Cl)C(Br)=C1 CS15946 [0,1,0,0,0,1|2,0,0]=4 424 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 CS17661 [0,1,0,0,0,1|1,0,0]=3 425 B12R1.367 COC(=O)C1=CN=C(Cl)C(F)=C1 MC429992 [0,1,0,0,0,1|2,0,0]=4 426 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 CS17660 [0,1,0,0,0,1|2,0,0]=4 427 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 MC431245 [0,1,0,0,0,1|2,0,0]=4 428 B12R1.367 COC(=O)C1=NC(Br)=C(C)C=C1 CS19533 [0,1,0,0,0,1|1,1,0]=4 429 B12R1.367 COC(=O)C1=NC(C)=C(C)N=C1 CS16868 [0,1,0,0,0,1|2,0,0]=4 430 B12R1.367 COC(=O)C1=NC(C)=C(Cl)N=C1 MC10335 [0,1,0,0,0,1|2,0,0]=4 431 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 CS16862 [0,1,0,0,0,1|2,0,0]=4 432 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 CS16029 [0,1,0,0,0,1|1,0,0]=3 433 B12R1.367 COC(=O)C1=NC(Cl)=C(Cl)C=C1 CS16003 [0,1,0,0,0,1|2,0,0]=4 434 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 MC428183 [0,1,0,0,0,1|2,0,0]=4 435 B12R1.367 COC(=O)C1=NC=C(Br)C(C)=C1 CS17574 [0,1,0,0,0,1|1,1,0]=4 436 B12R1.367 COC(=O)C1=NC=C(C)C(Br)=C1 MC432006 [0,1,0,0,0,1|1,1,0]=4 437 B12R1.367 COC(=O)C1=NC=C(C)C(Cl)=C1 CS16028 [0,1,0,0,0,1|1,0,0]=3 438 B12R1.367 COC(=O)C1=NC=C(Cl)C(Cl)=C1 CS17982 [0,1,0,0,0,1|2,0,0]=4 439 B12R1.893 CC1=C(C)C(N)=C(C(=O)O)C=C1 CS14576 [0,1,0,0,0,1|2,0,0]=4 440 B12R1.893 CC1=C(Cl)C=CC(C(=O)O)=C1Cl CS12720 [0,1,0,0,0,1|1,0,0]=3 441 B12R1.893 CC1=C(F)C=CC(C(=O)O)=C1F CS19820 [0,1,0,0,0,1|1,1,0]=4 442 B12R1.893 CC1=C(N)C=CC(C(=O)O)=C1C MC30138 [0,1,0,0,0,1|2,0,0]=4 443 B12R1.893 NC1=C(C(=O)O)C=CC(Cl)=C1Cl CS21226 [0,1,0,0,0,1|2,0,0]=4 444 B12R1.893 O=C(O)C1=C(Cl)C(Br)=C(Cl)C=C1 CS17192 [0,1,0,0,0,1|2,0,0]=4 445 B12R1.893 O=C(O)C1=C(Cl)C(Cl)=C(F)C=C1 CS21013 [0,1,0,0,0,1|2,0,0]=4 446 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 MC40249 [0,1,0,0,0,1|2,0,0]=4 447 B12R1.893 O=C(O)C1=C(F)C(F)=C(Cl)C=C1 CS22731 [0,1,0,0,0,1|2,0,0]=4 448 B12R1.893 O=C(O)C1=NC=C(Br)C(Cl)=C1Br MC115180 [0,1,0,0,0,1|2,0,0]=4 449 B12R1.893 O=C(O)C1=NC=C(Cl)C(Cl)=C1Cl MC427419 [0,1,0,0,0,1|2,0,0]=4 450 B12R1.1005 CC(=O)C1=CC(Cl)=C(Cl)C(C)=C1 MC109833 [0,1,0,0,0,1|2,0,0]=4 451 B12R1.1005 CC1=C(Cl)C=C(C(=O)Cl)C=C1Cl MC40464 [0,1,0,0,0,1|2,0,0]=4 452 B12R1.1005 CC1=C(Cl)C=C(C(=O)O)C=C1Cl CS14273 [0,1,0,0,0,1|1,0,0]=3 453 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I MC425101 [0,1,0,0,0,1|1,1,0]=4 454 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1O CS12744 [0,1,0,0,0,1|1,1,0]=4 455 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1F MC433581 [0,1,0,0,0,1|1,1,0]=4 456 B12R1.1005 CC1=C(N)C=C(C(=O)O)C=C1N MC40264 [0,1,0,0,0,1|2,0,0]=4 457 B12R1.1005 CC1=CC(C(=O)Cl)=CC(Cl)=C1Cl MC109872 [0,1,0,0,0,1|2,0,0]=4 458 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1Br MC433601 [0,1,0,0,0,1|1,1,0]=4 459 B12R1.1005 CC1=CC(C(=O)O)=CC(C)=C1N CS14704 [0,1,0,0,0,1|2,0,0]=4 460 B12R1.1005 CC1=CC(C(N)=O)=CC(Cl)=C1Cl MC109840 [0,1,0,0,0,1|2,0,0]=4 461 B12R1.1005 NC1=C(Cl)C(Cl)=CC(C(=O)O)=C1 MC20816 [0,1,0,0,0,1|2,0,0]=4 462 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl MC433569 [0,1,0,0,0,1|2,0,0]=4 463 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 CS12584 [0,1,0,0,0,1|2,0,0]=4 464 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(Cl)=C1 MC30110 [0,1,0,0,0,1|2,0,0]=4 465 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 MC433620 [0,1,0,0,0,1|2,0,0]=4 466 B12R1.1005 O=C(O)C1=CC(Cl)=C(O)C(O)=C1 MC443792 [0,1,0,0,0,1|2,0,0]=4 467 B12R1.1005 O=C(O)C1=CC(F)=C(Cl)C(F)=C1 MC40250 [0,1,0,0,0,1|2,0,0]=4 468 B12R1.11 CC1=CC(C(=O)O)=CC(C#N)=C1 MC433641 [0,1,0,0,0,1|2,0,0]=4 469 B12R1.11 COC1=CC(C(=O)O)=CC(Br)=C1 CS12659 [0,1,0,0,0,1|1,1,0]=4 470 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=C1 CS18499 [0,1,0,0,0,1|1,0,0]=3 471 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=N1 MC425638 [0,1,0,0,0,1|1,0,0]=3 472 B12R1.11 COC1=CC(C(=O)O)=CC(F)=C1 CS14195 [0,1,0,0,0,1|1,1,0]=4 473 B12R1.11 COC1=CC(C(=O)O)=CC(I)=C1 MC442512 [0,1,0,0,0,1|1,1,0]=4 474 B12R1.11 COC1=CC(C(=O)O)=CC(N)=C1 MC442511 [0,1,0,0,0,1|2,0,0]=4 475 B12R1.11 COC1=CC(C(=O)O)=CC(O)=C1 CS17363 [0,1,0,0,0,1|2,0,0]=4 476 B12R1.11 COC1=CC(C(=O)O)=NC(Cl)=C1 CS15318 [0,1,0,0,0,1|1,0,0]=3 477 B12R1.11 COC1=CC(C)=CC(C(=O)O)=C1 CS13171 [0,1,0,0,0,1|2,0,0]=4 478 B12R1.11 COC1=CC(Cl)=CC(C(=O)O)=N1 MC111775 [0,1,0,0,0,1|2,0,0]=4 479 B12R1.11 N#CC1=CC(C(=O)O)=CC(Cl)=C1 CS14392 [0,1,0,0,0,1|1,0,1]=4 480 B12R1.358 COC(=O)C1=CC(Br)=CC(C)=C1 CS14373 [0,1,0,0,0,1|1,1,0]=4 481 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 CS14289 [0,1,0,0,0,1|1,0,0]=3 482 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 CS11596 [0,1,0,0,0,1|2,0,0]=4 483 B12R1.358 COC(=O)C1=CC(N)=CC(C)=C1 CS11619 [0,1,0,0,0,1|2,0,0]=4 484 B12R1.358 COC(=O)C1=CC(N)=CC(Cl)=C1 CS12426 [0,1,0,0,0,1|2,0,0]=4 485 B12R1.358 COC(=O)C1=NC(C)=CC(C)=C1 MC432026 [0,1,0,0,0,1|2,0,0]=4 486 B12R1.358 COC(=O)C1=NC(Cl)=CC(Br)=C1 MC111115 [0,1,0,0,0,1|2,0,0]=4 487 B12R1.358 COC(=O)C1=NC(Cl)=CC(Cl)=C1 CS14945 [0,1,0,0,0,1|2,0,0]=4 488 B12R1.358 COC(=O)C1=NC(Cl)=NC(Cl)=C1 CS15387 [0,1,0,0,0,1|2,0,0]=4 489 B12R1.511 CC(=O)C1=C(Cl)C(C)=CC(Cl)=C1 MC109830 [0,1,0,0,0,1|2,0,0]=4 490 B12R1.511 CC(=O)C1=C(Cl)C(Cl)=CC(C)=C1 MC109828 [0,1,0,0,0,1|2,0,0]=4 491 B12R1.511 CC1=C(C(=O)O)C=C(Cl)N=C1Cl MC431211 [0,1,0,0,0,1|2,0,0]=4 492 B12R1.511 CC1=CC(C(=O)O)=C(Cl)C(Cl)=C1 MC109855 [0,1,0,0,0,1|1,0,0]=3 493 B12R1.511 CC1=CC(C(=O)O)=C(F)C(F)=C1 MC433081 [0,1,0,0,0,1|1,1,0]=4 494 B12R1.511 CC1=CC(C(=O)O)=C(N)C(Br)=C1 MC40226 [0,1,0,0,0,1|1,1,0]=4 495 B12R1.511 CC1=CC(C(=O)O)=C(N)C(C)=C1 CS21803 [0,1,0,0,0,1|2,0,0]=4 496 B12R1.511 CC1=CC(C(N)=O)=C(Cl)C(Cl)=C1 MC109837 [0,1,0,0,0,1|2,0,0]=4 497 B12R1.511 CC1=CC(Cl)=CC(C(=O)Cl)=C1Cl MC109870 [0,1,0,0,0,1|2,0,0]=4 498 B12R1.511 CC1=CC(Cl)=CC(C(=O)O)=C1N CS21815 [0,1,0,0,0,1|1,0,0]=3 499 B12R1.511 CC1=CC(Cl)=CC(C(N)=O)=C1Cl MC109838 [0,1,0,0,0,1|2,0,0]=4 500 B12R1.511 CC1=CC(F)=CC(C(=O)O)=C1Cl MC433080 [0,1,0,0,0,1|1,1,0]=4 501 B12R1.511 CC1=CC(F)=CC(C(=O)O)=C1F MC433082 [0,1,0,0,0,1|1,1,0]=4 502 B12R1.511 NC1=C(Br)C=C(Cl)N=C1C(=O)O MC105961 [0,1,0,0,0,1|2,0,0]=4 503 B12R1.511 NC1=C(C(=O)O)C=C(Cl)C=C1I MC40227 [0,1,0,0,0,1|2,0,0]=4 504 B12R1.511 NC1=C(C(=O)O)C=C(Cl)N=C1Cl CS17209 [0,1,0,0,0,1|2,0,0]=4 505 B12R1.511 NC1=C(C(=O)O)C=C(F)C=C1Cl MC425398 [0,1,0,0,0,1|2,0,0]=4 506 B12R1.511 NC1=C(Cl)C(C(=O)O)=NC(Cl)=C1 MC103311 [0,1,0,0,0,1|2,0,0]=4 507 B12R1.511 O=C(O)C1=C(Cl)C(F)=CC(Cl)=C1 MC40266 [0,1,0,0,0,1|2,0,0]=4 508 B12R1.511 O=C(O)C1=C(F)C(Cl)=CC(Cl)=C1 MC433649 [0,1,0,0,0,1|2,0,0]=4 509 B12R1.511 O=C(O)C1=C(F)C(Cl)=NC(Cl)=C1 MC110601 [0,1,0,0,0,1|2,0,0]=4 510 B12R1.511 O=C(O)C1=C(O)C(Cl)=CC(Cl)=C1 CS13390 [0,1,0,0,0,1|2,0,0]=4 511 B12R1.511 O=C(O)C1=C(O)C(Cl)=NC(Cl)=C1 MC115892 [0,1,0,0,0,1|2,0,0]=4 512 B12R1.63 COC(=O)C1=CC(OC)=C(Br)S1 CS18110 [0,2,0,0,0,0|0,1,0]=3 513 B12R1.111 O=C(O)C1=CC([N+](=O)[O-])=C(Br)S1 MC113798 [0,2,0,0,0,0|1,1,0]=4 514 B12R1.362 COC(=O)C1=C(O)C(C)=C(C)S1 MC105761 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.362 COC(=O)C1=C(O)C(Cl)=C(Cl)S1 MC113919 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,0,1,1,0,0|2,0,0]=4 517 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,0,1,1,0,0|2,0,0]=4 518 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,0,1,1,0,0|2,0,0]=4 519 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,0,1,1,0,0|1,0,1]=4 520 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,0,1,1,0,0|2,0,0]=4 521 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,0,1,1,0,0|1,0,1]=4 522 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,0,1,1,0,0|2,0,0]=4 523 B10R1.118 CC1=CC(S)=C(Cl)C=C1Cl MC433404 [0,0,1,1,0,0|2,0,0]=4 524 B12R2.252 O=C(O)C1=CC2=C(SC=C2)S1 MC442193 [0,1,0,1,0,0|1,0,1]=4 525 B12R2.252 O=C(O)C1=CC2=CSC=C2S1 MC442194 [0,1,0,1,0,0|1,0,1]=4 526 B8R0.2 O=C\C(Cl)=C(\Cl)C(=O)O MC41934 [0,0,1,0,1,0|2,0,0]=4 527 B10R1.8 CC1=CC(C)=CC(C=O)=C1 CS21068 [1,0,0,0,0,1|2,0,0]=4 528 B10R1.8 CC1=CC(C=O)=CC(Br)=C1 CS12662 [1,0,0,0,0,1|1,1,0]=4 529 B10R1.8 CC1=CC(C=O)=CC(C)=N1 MC443203 [1,0,0,0,0,1|2,0,0]=4 530 B10R1.8 CC1=CC(C=O)=CC(Cl)=C1 MC20818 [1,0,0,0,0,1|1,0,0]=3 531 B10R1.8 CC1=CC(C=O)=CC(F)=C1 CS10961 [1,0,0,0,0,1|1,1,0]=4 532 B10R1.8 CC1=CC(C=O)=CC(O)=C1 CS15684 [1,0,0,0,0,1|2,0,0]=4 533 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 MC110839 [1,0,0,0,0,1|2,0,0]=4 534 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 MC33388 [1,0,0,0,0,1|2,0,0]=4 535 B10R1.8 NC1=CC(C=O)=NC(Cl)=C1 MC33507 [1,0,0,0,0,1|2,0,0]=4 536 B10R1.8 O=CC1=CC(Br)=CC(Cl)=C1 CS19822 [1,0,0,0,0,1|2,0,0]=4 537 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=C1 MC20139 [1,0,0,0,0,1|2,0,0]=4 538 B10R1.8 O=CC1=CC(Cl)=CC(F)=C1 CS19946 [1,0,0,0,0,1|2,0,0]=4 539 B10R1.8 O=CC1=CC(Cl)=CC(O)=C1 CS22223 [1,0,0,0,0,1|2,0,0]=4 540 B10R1.8 O=CC1=NC(Cl)=CC(Br)=C1 MC33510 [1,0,0,0,0,1|2,0,0]=4 541 B10R1.8 O=CC1=NC(Cl)=CC(Cl)=C1 MC431525 [1,0,0,0,0,1|2,0,0]=4 542 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [1,0,0,0,0,1|1,1,0]=4 543 B10R1.54 CN1C=NC(CC(=O)O)=C1 CS16463 [1,0,0,0,0,1|2,0,0]=4 544 B10R1.54 NC1=NC=C(CC(=O)O)S1 MC103505 [1,0,0,0,0,1|2,0,0]=4 545 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 MC102205 [1,0,0,0,0,1|2,0,0]=4 546 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 MC103590 [1,0,0,0,0,1|1,0,0]=3 547 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [0,0,0,0,0,2|2,0,0]=4 548 B12R1.19 CC1=C(Br)C=CC(CC(=O)O)=C1 MC40151 [0,0,0,0,0,2|1,1,0]=4 549 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC21107 [0,0,0,0,0,2|2,0,0]=4 550 B12R1.19 CC1=C(C)C=C(CC(=O)O)C=C1 MC433950 [0,0,0,0,0,2|2,0,0]=4 551 B12R1.19 CC1=CC(CC(=O)O)=NNC1=O MC104935 [0,0,0,0,0,2|2,0,0]=4 552 B12R1.19 O=C(O)CC1=CC(Cl)=C(Cl)C=C1 CS20693 [0,0,0,0,0,2|2,0,0]=4 553 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS10724 [0,0,0,0,0,2|2,0,0]=4 554 B12R1.19 O=C(O)CC1=CC(F)=C(Cl)C=C1 CS22756 [0,0,0,0,0,2|2,0,0]=4 555 B12R1.101 O=C(O)CC1=CC(Cl)=CC(Cl)=C1 CS20844 [0,0,0,0,0,2|2,0,0]=4 556 B12R1.101 O=C(O)CC1=CC(Cl)=CC(F)=C1 MC40155 [0,0,0,0,0,2|2,0,0]=4