0 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 CC(O)C1=CN(C)C=N1 MC103373 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 CC1=CC(C(=O)O)=NN1 CS10435 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.35 CC1=CC(C(N)=O)=NO1 CS10575 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 CS12585 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 CC1=CN=C(B(O)O)S1 MC100716 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.35 CC1=CSC(B(O)O)=C1 MC430054 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 CC1=NC(C(=O)[O-])=NO1 MC114548 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,0,0,0,0,0|2,0,1]=3 25 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS10429 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.35 CC1=NN=C(C(=O)[O-])S1 CS18089 [0,0,0,0,0,0|1,0,2]=3 27 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,0,0,0,0,0|1,0,2]=3 28 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 CS13573 [0,0,0,0,0,0|1,0,3]=4 29 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,0,0,0,0,0|1,0,1]=2 30 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,0,0,0,0,0|1,0,1]=2 32 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.35 CN1C=NC(C(=O)O)=C1 CS20746 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.35 CN1C=NC(C(N)=O)=C1 CS12656 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.35 CN1C=NC([N+](=O)[O-])=C1 CS13039 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.35 NC1=CN=C(C(=O)O)S1 MC104625 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.35 NC1=CN=C(C(=O)O)S1 MC115724 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.35 NC1=NN=C(C(=O)O)S1 CS15409 [0,0,0,0,0,0|2,0,1]=3 45 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,0,0,0,0,0|4,0,0]=4 51 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,0,0,0,0,0|4,0,0]=4 52 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,0,0,0,0,0|4,0,0]=4 53 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,0,0,0,0,0|4,0,0]=4 54 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,0,0,0,0,0|4,0,0]=4 55 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,0,0,0,0,0|4,0,0]=4 57 B9R1.35 O=C(O)C1=CSC(Br)=C1 MC441053 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,0,0,0,0,0|4,0,0]=4 59 B9R1.35 O=C(O)C1=CSC(Cl)=C1 CS10357 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,0,0,0,0,0|4,0,0]=4 61 B9R1.35 O=C(O)C1=CSC(F)=C1 MC105198 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,0,0,0,0,0|4,0,0]=4 63 B9R1.35 O=C(O)C1=NC=C(Br)S1 MC428239 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.35 O=C(O)C1=NC=C(Cl)S1 MC432453 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.35 O=C(O)C1=NNC(Br)=N1 CS12373 [0,0,0,0,0,0|2,0,0]=2 66 B9R1.35 O=C(O)C1=NNC(Cl)=C1 CS10316 [0,0,0,0,0,0|1,0,0]=1 67 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.1 CC1=CC(C#N)=NN1 MC10461 [1,0,0,0,0,0|1,0,1]=3 69 B8R1.1 CC1=CC(C#N)=NO1 CS10448 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.1 CC1=CC(CO)=NN1 CS17779 [1,0,0,0,0,0|0,0,1]=2 72 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.1 CC1=NN=C(CO)S1 MC107561 [1,0,0,0,0,0|1,0,2]=4 80 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.1 CCC1=NNC(N)=C1 CS18101 [1,0,0,0,0,0|2,0,1]=4 82 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.1 CN1C=C(CO)N=N1 MC107583 [1,0,0,0,0,0|1,0,2]=4 84 B8R1.1 CN1C=NC(CO)=C1 CS18049 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.1 CSC1=NNC(N)=C1 CS16036 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.1 NC1=CC(CO)=NN1 MC444277 [1,0,0,0,0,0|1,0,1]=3 87 B8R1.1 O=CC1=CC(Br)=CN1 CS14432 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.1 O=CC1=CC(Br)=CO1 CS22678 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.1 O=CC1=CC(Br)=CS1 CS22689 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.1 O=CC1=CC(Cl)=CN1 MC104758 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.1 O=CC1=CC(F)=CS1 MC114664 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.1 O=CC1=CC(I)=CS1 CS16582 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.1 O=CC1=CSC(Br)=C1 MC103292 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.1 O=CC1=NC=C(Br)S1 MC431683 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.1 O=CC1=NC=C(Cl)S1 MC425505 [1,0,0,0,0,0|3,0,0]=4 96 B8R1.1 O=CC1=NC=C(I)S1 MC431752 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,0,0,0,0,0|2,0,1]=4 100 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,0,0,0,0,0|3,0,0]=4 104 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,0,0,0,0,0|3,0,0]=4 105 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.7 NC(=O)C1=COC=N1 CS11829 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [1,0,0,0,0,0|3,0,0]=4 109 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [1,0,0,0,0,0|1,0,0]=2 110 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,0,0|1,0,1]=3 112 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,0,0,0,0,0|1,0,1]=3 115 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,0,0,0,0,0|2,0,1]=4 116 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,0,0,0,0,0|1,0,0]=2 117 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [1,0,0,0,0,0|2,0,0]=3 119 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [1,0,0,0,0,0|1,0,1]=3 120 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,0,0,0,0,0|2,0,0]=3 121 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.7 O=C(O)C1=CON=C1 MC428244 [1,0,0,0,0,0|2,0,1]=4 123 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,0,0,0,0,0|2,0,0]=3 125 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,0,0|2,0,0]=3 127 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,0,0,0,0,0|0,0,0]=1 130 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,0,0,0,0,0|1,0,0]=2 131 B8R1.7 O=C(O)C1=NON=C1 CS20479 [1,0,0,0,0,0|2,0,0]=3 132 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,0,0,0,0,0|1,0,0]=2 133 B8R1.7 O=C(O)C1C=CCN1 MC436934 [1,0,0,0,0,0|1,0,2]=4 134 B8R1.7 O=C(O)C1C=CCN1 MC436935 [1,0,0,0,0,0|1,0,2]=4 135 B8R1.7 O=[N+]([O-])C1=CNC=C1 CS22386 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.7 OB(O)C1=CNC=C1 MC113852 [1,0,0,0,0,0|2,0,1]=4 137 B10R1.14 CC1=NOC(C(=O)CBr)=C1 CS11313 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.14 COC(=O)C1=CC(Br)=CN1 CS16309 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.14 COC(=O)C1=CC(Br)=CO1 CS11686 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.14 COC(=O)C1=CC(Br)=CS1 CS11641 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.14 COC(=O)C1=CC(F)=CN1 CS15647 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.14 COC(=O)C1=CC(O)=NO1 CS11625 [0,1,0,0,0,0|2,0,1]=4 143 B10R1.14 COC(=O)C1=CN(C)C=N1 CS20747 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.14 COC(=O)C1=CNC(Br)=C1 MC428134 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.14 COC(=O)C1=CSC(Br)=C1 MC441052 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.14 COC(=O)C1=NC(C)=NS1 MC42244 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,1,0,0,0,0|2,0,0]=3 150 B10R1.14 COC(=O)C1=NC=C(N)S1 MC104624 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 COC(=O)C1=NN(C)C=N1 CS14510 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.14 COC(=O)C1=NN=C(Br)N1 CS14811 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.14 COC(=O)C1=NN=C(C)O1 CS15328 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.14 COC(=O)C1=NNC(Br)=C1 CS16329 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.14 COC(=O)C1=NNC(I)=C1 MC105672 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.14 COC(=O)C1=NNC(N)=N1 CS14209 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.14 COC(=O)C1=NNC(O)=C1 MC106662 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.14 COC(=O)C1=NOC(C)=C1 MC33072 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.31 O=C(O)C1=CC(CO)=NN1 MC432486 [0,1,0,0,0,0|0,0,2]=3 160 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.31 O=C(O)C1=CSC(CO)=N1 MC31089 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.31 O=C(O)C1=NOC(CO)=C1 MC107744 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.55 CC1=CC(C(F)(F)F)=NN1 MC430842 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.58 CN1N=C(C(=O)O)C=C1Br MC443314 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.58 CN1N=C(C(=O)O)C=C1Cl MC100365 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.58 CN1N=C(C(=O)O)C=C1N MC102000 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.58 CN1N=C([N+](=O)[O-])C=C1N MC107298 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 CS21776 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 CS17233 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 CS22495 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.59 CC(=O)C1=CC(C)=NN1C CS16943 [0,1,0,0,0,0|1,0,2]=4 176 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 MC113285 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 CS13168 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CS10099 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.59 CC1=NN(C)C=C1C(=O)O CS12794 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.59 CN1N=C(Br)C=C1C(=O)O MC106333 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.59 O=C(O)C1=C(Br)SC(Br)=C1 MC441262 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.59 O=C(O)C1=C(Cl)SC(Br)=C1 MC441012 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.59 O=C(O)C1=C(Cl)SC(Cl)=C1 CS17244 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.194 CC(=O)C1=CNC(Br)=C1C MC442582 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.194 CC1=C(C(=O)O)C=NN1C CS20547 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.194 CC1=C(C(=O)O)NN=C1Br CS17381 [0,1,0,0,0,0|1,0,2]=4 187 B10R1.194 CC1=C(C(=O)O)SC=C1Br MC21121 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.194 CC1=CNC(C(=O)O)=C1C CS16854 [0,1,0,0,0,0|1,0,1]=3 189 B10R1.194 CC1=CSC(C(=O)O)=C1N CS22070 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.194 CC1=NNC(C(=O)O)=C1C CS13567 [0,1,0,0,0,0|0,0,2]=3 191 B10R1.194 CC1=NNC(C(=O)O)=C1O MC106331 [0,1,0,0,0,0|0,0,2]=3 192 B10R1.194 CC1=NSC(C(=O)O)=C1Br MC116148 [0,1,0,0,0,0|1,0,1]=3 193 B10R1.194 Cn1cnc(C(N)=O)c1N MC106870 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.194 NC1=NNC(C(=O)O)=C1Cl CS15067 [0,1,0,0,0,0|1,0,2]=4 195 B10R1.194 O=C(O)C1=C(F)C(F)=CN1 MC104432 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.194 O=[N+]([O-])C1=NNC(Br)=C1Br MC100291 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.23 O=C1CC(C(=O)O)N1 MC103900 [0,0,0,0,1,0|1,0,2]=4 198 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [0,0,0,0,0,1|1,0,1]=3 200 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [0,0,0,0,0,1|2,0,1]=4 201 B10R1.13 CC(=O)C1=CN=C(C)C=C1 MC428167 [0,0,0,0,0,1|2,0,1]=4 202 B10R1.13 CC(=O)C1=CN=C(C)N=C1 MC444074 [0,0,0,0,0,1|2,0,1]=4 203 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [0,0,0,0,0,1|2,0,0]=3 206 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [0,0,0,0,0,1|2,0,0]=3 207 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [0,0,0,0,0,1|3,0,0]=4 208 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [0,0,0,0,0,1|3,0,0]=4 209 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [0,0,0,0,0,1|3,0,0]=4 210 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [0,0,0,0,0,1|3,0,0]=4 211 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 MC40494 [0,0,0,0,0,1|3,0,0]=4 212 B10R1.13 CC1=CC=C(C(=O)O)C=C1 MC40304 [0,0,0,0,0,1|2,0,0]=3 213 B10R1.13 CC1=CC=C(C(N)=O)C=C1 CS11895 [0,0,0,0,0,1|3,0,0]=4 214 B10R1.13 CC1=CN=C(C(=N)N)N=C1 MC104180 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [0,0,0,0,0,1|1,0,0]=2 216 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [0,0,0,0,0,1|1,0,0]=2 217 B10R1.13 CC1=CN=C(C(=O)O)C=N1 CS19370 [0,0,0,0,0,1|1,0,0]=2 218 B10R1.13 CC1=CN=C(C(=O)O)N=C1 CS21764 [0,0,0,0,0,1|1,0,0]=2 219 B10R1.13 CC1=CN=C([N+](=O)[O-])C=C1 CS21713 [0,0,0,0,0,1|2,0,1]=4 220 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS20324 [0,0,0,0,0,1|1,0,1]=3 221 B10R1.13 CC1=NC=C(C(=O)O)C=N1 CS21698 [0,0,0,0,0,1|1,0,1]=3 222 B10R1.13 CC1=NC=C(C(N)=O)C=C1 CS18427 [0,0,0,0,0,1|2,0,1]=4 223 B10R1.13 NC(=O)C1=CC=C(N)N=N1 MC444409 [0,0,0,0,0,1|2,0,1]=4 224 B10R1.13 NC(=O)C1=CNC(=O)C=C1 MC427340 [0,0,0,0,0,1|3,0,0]=4 225 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [0,0,0,0,0,1|3,0,0]=4 226 B10R1.13 NC(=O)C1=NC=C(Br)C=N1 CS15436 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 CS10571 [0,0,0,0,0,1|3,0,0]=4 229 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [0,0,0,0,0,1|3,0,0]=4 230 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [0,0,0,0,0,1|3,0,0]=4 231 B10R1.13 NC1=CC=C(C(=O)O)C=C1 MC40224 [0,0,0,0,0,1|3,0,0]=4 232 B10R1.13 NC1=CC=C(C(=O)O)N=N1 MC444236 [0,0,0,0,0,1|1,0,1]=3 233 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [0,0,0,0,0,1|2,0,0]=3 234 B10R1.13 NC1=CN=C(C(=O)O)C=N1 CS14292 [0,0,0,0,0,1|2,0,0]=3 235 B10R1.13 NC1=CN=C(C(=O)O)N=C1 MC115893 [0,0,0,0,0,1|2,0,0]=3 236 B10R1.13 NC1=NC=C(C(=O)O)C=C1 CS19354 [0,0,0,0,0,1|2,0,1]=4 237 B10R1.13 NC1=NC=C(C(=O)O)C=N1 CS18230 [0,0,0,0,0,1|2,0,1]=4 238 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 CS20082 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.13 O=C(O)C1=CC=C(Br)N=N1 MC431375 [0,0,0,0,0,1|1,0,1]=3 240 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS15821 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.13 O=C(O)C1=CC=C(Cl)N=N1 MC444427 [0,0,0,0,0,1|1,0,1]=3 242 B10R1.13 O=C(O)C1=CC=C(F)C=C1 MC40280 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS20135 [0,0,0,0,0,1|3,0,0]=4 244 B10R1.13 O=C(O)C1=CC=C(O)C=C1 CS22885 [0,0,0,0,0,1|3,0,0]=4 245 B10R1.13 O=C(O)C1=CC=C(O)N=N1 CS17550 [0,0,0,0,0,1|1,0,1]=3 246 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 CS22092 [0,0,0,0,0,1|2,0,1]=4 247 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 CS22101 [0,0,0,0,0,1|2,0,1]=4 248 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 CS18270 [0,0,0,0,0,1|2,0,1]=4 249 B10R1.13 O=C(O)C1=CN=C(F)C=C1 CS18891 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.13 O=C(O)C1=CN=C(O)C=C1 CS19189 [0,0,0,0,0,1|2,0,1]=4 251 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [0,0,0,0,0,1|2,0,0]=3 252 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 CS14223 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 CS12377 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 CS14727 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.13 O=C(O)C1=NC=C(Cl)N=C1 CS10354 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.13 O=C(O)C1=NC=C(F)C=N1 MC103707 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [0,0,0,0,0,1|2,0,0]=3 260 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [0,0,0,0,0,1|2,0,0]=3 261 B10R1.13 O=C(O)C1=NC=C(O)C=N1 MC105798 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.13 O=C1C=CC(C(=O)O)N=N1 CS17837 [0,0,0,0,0,1|1,0,2]=4 263 B10R1.54 CN1C=NC(CC(=O)O)=C1 CS16463 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.54 NC1=CC(CC(=O)O)=NN1 CS20216 [0,0,0,0,0,1|1,0,0]=2 265 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 MC103590 [0,0,0,0,0,1|3,0,0]=4 266 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,0,0,0,0,1|3,0,0]=4 267 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,0,0,0,0,1|2,0,0]=3 268 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,0,0,0,0,1|2,0,1]=4 269 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,0,0,0,0,1|3,0,0]=4 270 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,0,0,0,0,1|3,0,0]=4 271 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,0,0,0,0,1|3,0,0]=4 272 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,0,0,0,0,1|3,0,0]=4 273 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,0,0,0,0,1|3,0,0]=4 274 B10R1.113 CC1=CC(B(O)O)=NC=C1 MC106710 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,0,0,0,0,1|1,0,0]=2 276 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,0,0,0,0,1|1,0,0]=2 277 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,0,0,0,0,1|2,1,0]=4 282 B10R1.113 CC1=CN=CC(B(O)O)=C1 CS19510 [0,0,0,0,0,1|2,0,1]=4 283 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,0,0,0,0,1|2,0,0]=3 284 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,0,0,0,0,1|2,0,0]=3 285 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,0,0,0,0,1|1,0,1]=3 286 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,0,0,0,0,1|2,0,1]=4 287 B10R1.113 NC(=O)C1=CC(N)=CN=C1 CS15231 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.113 NC(=O)C1=CN=CC(Br)=C1 CS19001 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 MC427450 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 MC20489 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.113 NC(=O)C1=NC=CC(N)=C1 MC116216 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.113 NC1=CC(C(=O)O)=CN=C1 CS22022 [0,0,0,0,0,1|2,0,0]=3 293 B10R1.113 NC1=CC(C(=O)O)=NC=C1 CS15431 [0,0,0,0,0,1|2,0,0]=3 294 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,0,0,0,0,1|1,0,1]=3 295 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,0,0,0,0,1|2,0,1]=4 298 B10R1.113 O=C(Cl)C1=NC=CC(O)=C1 MC106015 [0,0,0,0,0,1|3,0,0]=4 299 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,0,0,0,0,1|3,0,0]=4 300 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,0,0,0,0,1|2,0,1]=4 301 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,0,0,0,0,1|2,0,1]=4 303 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,0,0,0,0,1|2,0,1]=4 305 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,0,0,0,0,1|3,0,0]=4 306 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,0,0,0,0,1|3,0,0]=4 307 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,0,0,0,0,1|3,0,0]=4 308 B10R1.113 O=C(O)C1=CN=CC(Br)=C1 CS22040 [0,0,0,0,0,1|2,0,0]=3 309 B10R1.113 O=C(O)C1=CN=CC(Cl)=C1 CS18852 [0,0,0,0,0,1|2,0,0]=3 310 B10R1.113 O=C(O)C1=CN=CC(F)=C1 CS22934 [0,0,0,0,0,1|2,0,0]=3 311 B10R1.113 O=C(O)C1=CN=CC(O)=C1 CS22067 [0,0,0,0,0,1|2,0,0]=3 312 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 CS17230 [0,0,0,0,0,1|1,0,1]=3 313 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,0,0,0,0,1|3,0,0]=4 314 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,0,0,0,0,1|3,0,0]=4 315 B10R1.113 O=C(O)C1=NC=CC(Br)=C1 CS14122 [0,0,0,0,0,1|2,0,0]=3 316 B10R1.113 O=C(O)C1=NC=CC(Cl)=C1 CS14963 [0,0,0,0,0,1|2,0,0]=3 317 B10R1.113 O=C(O)C1=NC=CC(F)=C1 CS17501 [0,0,0,0,0,1|2,0,0]=3 318 B10R1.113 O=C(O)C1=NC=CC(I)=C1 CS17506 [0,0,0,0,0,1|2,0,0]=3 319 B10R1.113 O=C(O)C1=NC=CC(O)=C1 CS22894 [0,0,0,0,0,1|2,0,0]=3 320 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,0,0,0,0,1|1,0,1]=3 321 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,0,0,0,0,1|1,0,1]=3 322 B10R1.113 O=C([O-])C1=NC=CC(I)=C1 MC430296 [0,0,0,0,0,1|2,0,1]=4 323 B10R1.113 O=C1C=C(C(=O)O)C=NN1 CS22119 [0,0,0,0,0,1|1,0,0]=2 324 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS17150 [0,0,0,0,0,1|3,0,0]=4 325 B7R1.1 ClCC1=NNC=C1 MC442276 [2,0,0,0,0,0|1,0,1]=4 326 B7R1.1 N#CC1=NNC=C1 CS20722 [2,0,0,0,0,0|1,0,1]=4 327 B7R1.1 NCC1=NNC=C1 CS15493 [2,0,0,0,0,0|1,0,1]=4 328 B7R1.1 O=CC1=CC=CN1 CS17764 [2,0,0,0,0,0|1,0,1]=4 329 B7R1.1 O=CC1=CC=CN1 MC434011 [2,0,0,0,0,0|1,0,1]=4 330 B7R1.1 O=CC1=CC=CO1 MC41686 [2,0,0,0,0,0|2,0,0]=4 331 B7R1.1 O=CC1=CC=CS1 CS16400 [2,0,0,0,0,0|2,0,0]=4 332 B7R1.1 O=CC1=CNC=C1 CS20728 [2,0,0,0,0,0|1,0,0]=3 333 B7R1.1 O=CC1=CNC=N1 CS14113 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.1 O=CC1=CNN=C1 CS17644 [2,0,0,0,0,0|2,0,0]=4 335 B7R1.1 O=CC1=CNN=C1 CS18258 [2,0,0,0,0,0|2,0,0]=4 336 B7R1.1 O=CC1=CNN=N1 MC114304 [2,0,0,0,0,0|1,0,1]=4 337 B7R1.1 O=CC1=CSC=C1 CS14553 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.1 O=CC1=CSC=N1 MC33021 [2,0,0,0,0,0|2,0,0]=4 339 B7R1.1 O=CC1=NC=CN1 CS15723 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.1 O=CC1=NNC=C1 CS18284 [2,0,0,0,0,0|0,0,0]=2 341 B7R1.2 CC1=CC(=O)CC1 CS22356 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.2 CC1=CC(=O)CO1 MC429080 [2,0,0,0,0,0|2,0,0]=4 343 B7R1.2 CC1=CC(=O)NN1 CS22601 [2,0,0,0,0,0|0,0,1]=3 344 B7R1.2 CC1=CC(Br)=NN1 CS12832 [2,0,0,0,0,0|1,0,0]=3 345 B7R1.2 CC1=CC(Br)=NO1 MC113406 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.2 CC1=CC(C)=NN1 CS19982 [2,0,0,0,0,0|0,0,1]=3 347 B7R1.2 CC1=CC(C)=NO1 CS14107 [2,0,0,0,0,0|1,0,1]=4 348 B7R1.2 CC1=CC(I)=NN1 CS16887 [2,0,0,0,0,0|1,0,0]=3 349 B7R1.2 CC1=NNC(C)=N1 MC444208 [2,0,0,0,0,0|1,0,1]=4 350 B7R1.2 NC1=CC(=O)NN1 CS13152 [2,0,0,0,0,0|1,0,1]=4 351 B7R1.2 NC1=CC(Cl)=NN1 MC103573 [2,0,0,0,0,0|2,0,0]=4 352 B7R1.2 NC1=CC(N)=NN1 MC106500 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.2 NC1=NNC(Br)=C1 CS15854 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.2 NC1=NNC(F)=C1 MC103696 [2,0,0,0,0,0|2,0,0]=4 355 B7R1.2 OC1=NSC(Cl)=C1 MC31103 [2,0,0,0,0,0|2,0,0]=4 356 B9R1.7 CC1=NC(\C=N\O)=CN1 MC107346 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.21 CCC1=CC(C=O)=NO1 MC105910 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.21 CCC1=CC(CO)=NO1 MC106101 [1,1,0,0,0,0|1,0,1]=4 359 B9R1.22 CC1=NN(C)C(C=O)=C1 MC21034 [1,1,0,0,0,0|0,0,2]=4 360 B9R1.23 CC1=C(C)NC(C=O)=N1 MC427115 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.23 CC1=CC(CO)=NN1C MC429810 [1,1,0,0,0,0|0,0,1]=3 362 B9R1.23 CN1N=C(CO)C=C1Br MC429813 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.132 CC1=NSC(C=O)=C1Br MC106268 [1,1,0,0,0,0|1,0,1]=4 364 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [1,1,0,0,0,0|1,0,1]=4 365 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.11 COC(=O)C1=CNN=N1 CS13476 [1,1,0,0,0,0|1,0,1]=4 371 B9R1.11 COC(=O)C1=NC=CN1 CS15200 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [1,1,0,0,0,0|0,0,0]=2 373 B9R1.11 COC(=O)C1=NNC=N1 CS16131 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.11 COC(=O)C1=NNN=C1 CS17729 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.41 CC1=C(C(=O)O)N=NN1 MC430003 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [1,1,0,0,0,0|1,0,1]=4 382 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.41 CC1=C(C(=O)O)SN=C1 MC106261 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.41 CN1C=CN=C1C(=O)O CS20745 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [1,1,0,0,0,0|0,0,2]=4 388 B9R1.41 NC(=O)C1=NNC=C1Br CS14484 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.41 NC1=CNN=C1C(=O)O CS15323 [1,1,0,0,0,0|0,0,0]=2 390 B9R1.41 NC1=NSN=C1C(=O)O CS12587 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.41 O=C(O)C1=C(Br)C=NN1 CS13587 [1,1,0,0,0,0|0,0,2]=4 393 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.41 O=C(O)C1=C(I)C=NN1 CS13410 [1,1,0,0,0,0|0,0,2]=4 398 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.41 O=C(O)C1=CSC=C1Br MC442191 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.41 O=C(O)C1=NNC=C1Br CS22625 [1,1,0,0,0,0|0,0,0]=2 401 B9R1.41 O=C(O)C1=NNC=C1Cl CS15482 [1,1,0,0,0,0|0,0,0]=2 402 B9R1.41 O=C(O)c1ccsc1F MC430854 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.41 O=[N+]([O-])C1=NNC=C1Br MC425009 [1,1,0,0,0,0|1,0,1]=4 404 B9R1.164 CC1(C)C=C(C(=O)O)C1 MC101960 [0,1,0,0,1,0|1,0,1]=4 405 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS13406 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 MC441036 [0,1,0,0,0,1|1,0,0]=3 407 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 MC20232 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.3 COC1=CN=C(C(=O)Cl)C=N1 MC106028 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.3 COC1=CN=C(C(=O)O)C=C1 CS18937 [0,1,0,0,0,1|1,0,0]=3 410 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS12309 [0,1,0,0,0,1|1,0,0]=3 411 B11R1.3 COC1=CN=C(C(C)=O)C=C1 MC105069 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.3 COC1=NC=C(C(=O)O)C=C1 CS10490 [0,1,0,0,0,1|1,0,1]=4 413 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 MC20325 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 MC10316 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.3 O=C(O)C1=CC=C(CCl)C=C1 CS20829 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 CS20945 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 MC115965 [0,1,0,0,0,1|1,0,0]=3 418 B11R1.21 CC1=C(Br)C=C(C(=O)O)C=C1 CS20811 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,1,0,0,0,1|1,0,0]=3 422 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [0,1,0,0,0,1|1,0,0]=3 423 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=C1 CS20828 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,1,0,0,0,1|1,0,0]=3 425 B11R1.21 CC1=C(F)C=C(C(=O)O)C=C1 CS21927 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.21 CC1=C(I)C=C(C(=O)O)C=C1 CS21937 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 CS21906 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.21 CC1=C(O)C=C(C(=O)O)C=C1 CS20943 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.21 CC1=CC(C(=O)O)=NC=C1Br CS17571 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.21 CC1=CC=C(C(=O)O)NC1=O CS16105 [0,1,0,0,0,1|1,0,1]=4 432 B11R1.21 CC1=CN=C(C(=O)O)C=C1Br MC432004 [0,1,0,0,0,1|1,0,0]=3 433 B11R1.21 CC1=CN=C(C(=O)O)C=C1Cl CS17916 [0,1,0,0,0,1|1,0,0]=3 434 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)N=C1 CS14626 [0,1,0,0,0,1|1,0,0]=3 435 B11R1.21 NC1=C(I)N=C(C(=O)O)C=N1 MC104768 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.21 NC1=CC(C(=O)O)=NC=C1F MC431827 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br MC101922 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.21 Nc1cc(C(=O)O)ncc1Br MC104060 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.21 O=C(O)C1=NC(O)=C(O)N=C1 CS17143 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.21 O=C(O)C1=NC=C(Br)C(Cl)=C1 CS15157 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.21 O=C(O)C1=NC=C(Cl)C(Br)=C1 MC430521 [0,1,0,0,0,1|2,0,0]=4 447 B11R1.21 O=C(O)C1=NC=C(O)C(Cl)=C1 MC432602 [0,1,0,0,0,1|2,0,0]=4 448 B11R1.22 COC(=O)C1=CC=C(Br)N=N1 CS15397 [0,1,0,0,0,1|1,0,1]=4 449 B11R1.22 COC(=O)C1=CC=C(C)C=C1 MC40114 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.22 COC(=O)C1=CC=C(Cl)N=N1 CS11663 [0,1,0,0,0,1|1,0,1]=4 451 B11R1.22 COC(=O)C1=CC=C(N)N=N1 MC444521 [0,1,0,0,0,1|1,0,1]=4 452 B11R1.22 COC(=O)C1=CN=C(C)C=C1 CS10875 [0,1,0,0,0,1|1,0,1]=4 453 B11R1.22 COC(=O)C1=CNC(=O)N=C1 MC443636 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 CS14099 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 CS12346 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 CS11655 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.22 COC(=O)C1=NC=C(C)C=C1 CS15553 [0,1,0,0,0,1|1,0,0]=3 458 B11R1.22 COC(=O)C1=NC=C(C)C=N1 MC115976 [0,1,0,0,0,1|1,0,0]=3 459 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS14158 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.22 COC(=O)C1=NC=C(F)C=C1 CS16224 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.22 COC(=O)C1=NC=C(N)C=C1 CS21755 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC103762 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.22 COC(=O)C1=NC=C(N)C=N1 MC115672 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.22 COC(=O)C1=NC=C(N)N=C1 MC444546 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.22 COC(=O)C1=NC=C(O)C=C1 CS10406 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.22 COC(=O)C1=NC=C(O)N=C1 CS19747 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.22 COC(=O)C1=NNC(=O)C=C1 CS13480 [0,1,0,0,0,1|1,0,0]=3 468 B11R1.166 CC(=O)c1ncc(C)cc1C MC111085 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.166 CC1=CC(=O)C(C(=O)O)=CN1 CS12084 [0,1,0,0,0,1|1,0,0]=3 470 B11R1.166 CC1=CC(Br)=C(C(=O)O)C=C1 CS21362 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.166 CC1=CC(Br)=CN=C1C(=O)O CS17552 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 CS21071 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.166 CC1=CC(C)=NC=C1C(=O)O CS22514 [0,1,0,0,0,1|1,0,1]=4 474 B11R1.166 CC1=CC(Cl)=C(C(=O)O)C=C1 CS21449 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS17583 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.166 CC1=CC(F)=C(C(=O)O)C=C1 CS20842 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.166 CC1=CC(F)=CN=C1C(=O)O MC431877 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS13976 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.166 CC1=CC(O)=C(C(=O)O)C=C1 CS20948 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 CS15720 [0,1,0,0,0,1|1,0,0]=3 481 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 CS15178 [0,1,0,0,0,1|1,0,0]=3 482 B11R1.166 CC1=CN=C(C(=O)O)C(F)=C1 MC103700 [0,1,0,0,0,1|1,0,0]=3 483 B11R1.166 CC1=NC(Cl)=C(C(=O)O)C=C1 CS20205 [0,1,0,0,0,1|1,0,1]=4 484 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=C1 CS15914 [0,1,0,0,0,1|1,0,1]=4 485 B11R1.166 CC1=NC=C(C(=O)O)C(Cl)=N1 MC443338 [0,1,0,0,0,1|1,0,1]=4 486 B11R1.166 CC1=NC=C(C(=O)O)C(F)=C1 MC432353 [0,1,0,0,0,1|1,0,1]=4 487 B11R1.166 CC1=NC=C(C(=O)O)C(N)=C1 CS12116 [0,1,0,0,0,1|1,0,1]=4 488 B11R1.166 CC1=NC=C(C(=O)O)C(O)=C1 CS20333 [0,1,0,0,0,1|1,0,1]=4 489 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O CS14395 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.166 NC1=CC(Cl)=CN=C1C(=O)O MC429964 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 MC442168 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Br MC20838 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.166 O=C(O)C1=NC=C(Br)C=C1Cl MC31031 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F MC429610 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.166 O=C(O)C1=NC=C(Cl)C=C1Cl CS21897 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl MC442260 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br MC429650 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.166 O=C(O)C1=NC=C(F)C=C1Cl MC430828 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.166 O=C(O)C1=NC=C(F)C=C1F MC429507 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.39 COC(=O)CC1=NNC(C)=C1 MC429556 [0,1,0,0,0,1|0,0,0]=2 501 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.23 COC(=O)C1=CN=CC(Br)=C1 CS10403 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,1,0,0,0,1|1,0,0]=3 505 B11R1.23 COC(=O)C1=CN=CC(N)=C1 CS18261 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.23 COC(=O)C1=CN=CC(O)=C1 CS11658 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.23 COC(=O)C1=CN=NC(Cl)=C1 CS12304 [0,1,0,0,0,1|1,0,1]=4 508 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 CS18223 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 CS14005 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.23 COC(=O)C1=NC=CC(F)=C1 MC430081 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS12399 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 CS15533 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS14042 [0,1,0,0,0,1|1,0,1]=4 518 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 CS14703 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CS22319 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 CS10680 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 CS21904 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 MC433670 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 MC20267 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 MC432042 [0,1,0,0,0,1|1,0,1]=4 527 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 MC33509 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.74 NC1=CC(C(=O)O)=NC(Cl)=C1 MC33512 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 MC442155 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 MC431198 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 CS17530 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 CS22506 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.74 O=C(O)C1=NC(Cl)=CC(F)=C1 MC431621 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.74 O=C(O)C1=NC(F)=CC(Br)=C1 MC431181 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 CS15532 [0,1,0,0,0,1|1,0,1]=4 536 B11R1.159 CC1=C(Br)C=CN=C1C(=O)O CS17097 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.159 CC1=C(Cl)C=CN=C1C(=O)O MC442698 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br CS10769 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS21070 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CS21867 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.159 CC1=CC=CC(C(=O)O)=C1I CS21611 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.159 CC1=CC=CC(C(=O)O)=C1N CS21804 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.159 CC1=CC=CC(C(=O)O)=C1O CS16085 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.159 NC1=C(Br)C=NC=C1C(=O)O CS22569 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.159 NC1=C(Cl)C(C(=O)O)=NC=C1 MC429875 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.159 O=C(O)C1=CN=CC(Br)=C1O CS15968 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.159 O=C(O)C1=CNC=C(Br)C1=O CS17860 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.159 O=C(O)C1=NC=CC(Br)=C1F MC432492 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1Cl MC442436 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.159 O=C(O)C1=NC=CC(Cl)=C1F MC431600 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.167 CC1=C(C(=O)O)C=C(Br)C=N1 CS15972 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CS10772 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS21075 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CS19779 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.167 CC1=CC(C(=O)O)=C(Cl)N=C1 CS17254 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 MC40284 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 CS21612 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.167 CC1=CC(C(=O)O)=C(I)N=C1 MC429858 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 CS20992 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.167 CC1=CC(C(=O)O)=C(N)N=C1 MC112964 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 MC105730 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=C1 MC432147 [0,1,0,0,0,1|1,0,1]=4 563 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 CS22956 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=N1 CS21275 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.167 NC1=C(C(=O)O)C=C(I)C=N1 MC427420 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.167 NC1=CC(C(=O)O)=C(Cl)N=C1 MC443227 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.167 O=C(O)C1=C(Br)N=CC(Br)=C1 CS21135 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.167 O=C(O)C1=C(Br)N=CC(Cl)=C1 CS15518 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.167 O=C(O)C1=C(Br)N=CC(F)=C1 MC111567 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.167 O=C(O)C1=C(Cl)N=CC(Br)=C1 CS18656 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.167 O=C(O)C1=C(Cl)N=CC(Cl)=C1 CS15201 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.167 O=C(O)C1=C(Cl)N=CC(F)=C1 CS14241 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.167 O=C(O)C1=C(Cl)N=CC(O)=C1 MC441067 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 CS22008 [0,1,0,0,0,1|1,0,1]=4 575 B11R1.167 O=C(O)C1=C(F)N=CC(F)=C1 MC432036 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.167 O=C(O)C1=C(O)N=CC(Br)=C1 CS18796 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.167 O=C(O)C1=C(O)N=NC(Cl)=C1 CS10677 [0,1,0,0,0,1|1,0,1]=4 578 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1F MC433044 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.167 O=C(O)C1=CC(Cl)=CNC1=O MC427347 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.167 O=C1C=C(C(=O)O)C(Br)=CN1 MC427563 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.266 CNC1=CC(C(=O)O)=CN=C1 MC33524 [0,1,0,0,0,1|1,0,0]=3 582 B11R1.266 COC1=CC(C(=O)O)=CN=C1 CS20059 [0,1,0,0,0,1|1,0,0]=3 583 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS17802 [0,1,0,0,0,1|0,0,1]=3 584 B11R1.266 COC1=CC(C(=O)O)=NC=C1 CS20334 [0,1,0,0,0,1|1,0,0]=3 585 B11R1.266 COC1=CC(C(=O)O)=NC=N1 MC441129 [0,1,0,0,0,1|0,0,1]=3 586 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.266 COC1=CN=NC(C(=O)O)=C1 MC116095 [0,1,0,0,0,1|0,0,1]=3 590 B11R1.266 COC1=NC=CC(C(=O)O)=C1 CS10487 [0,1,0,0,0,1|1,0,1]=4 591 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 CS21006 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 MC30291 [0,1,0,0,0,1|2,0,0]=4 593 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 CS18966 [0,1,0,0,0,1|2,0,0]=4 594 B11R1.15 CCOC(=O)C1=CC(C)=CN1 MC41683 [0,2,0,0,0,0|1,0,1]=4 595 B11R1.15 CCOC(=O)C1=CC(C)=NN1 CS16214 [0,2,0,0,0,0|0,0,2]=4 596 B11R1.15 CCOC(=O)C1=CC(C)=NO1 MC41681 [0,2,0,0,0,0|1,0,1]=4 597 B11R1.15 CCOC(=O)C1=NNC(Br)=N1 CS19731 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.15 CCOC(=O)C1=NNC(C)=C1 CS19586 [0,2,0,0,0,0|0,0,0]=2 599 B11R1.15 CCOC(=O)C1=NNC(Cl)=N1 CS12351 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.15 CCOC(=O)C1=NNC(F)=C1 MC431096 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.44 CCC1=NNC(C(=O)OC)=C1 CS19351 [0,2,0,0,0,0|0,0,2]=4 602 B11R1.225 COC(=O)C1=C(Br)NC(Br)=C1 MC115975 [0,2,0,0,0,0|2,0,0]=4 603 B11R1.225 COC(=O)C1=C(C)NC(C)=C1 MC441136 [0,2,0,0,0,0|1,0,0]=3 604 B11R1.226 COC(=O)C1=NN(C)C(Br)=C1 MC443315 [0,2,0,0,0,0|1,0,0]=3 605 B11R1.226 COC(=O)C1=NN(C)C(N)=C1 CS15099 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.865 COC(=O)C1=C(C)C(C)=CN1 CS16853 [0,2,0,0,0,0|1,0,1]=4 607 B11R1.865 COC(=O)C1=C(N)C(C)=CS1 CS20417 [0,2,0,0,0,0|2,0,0]=4 608 B11R1.865 COC(=O)C1=C(N)C(C)=NO1 MC116482 [0,2,0,0,0,0|1,0,1]=4 609 B11R1.50 COC1=NN(C)C(C(=O)O)=C1 CS15304 [0,2,0,0,0,0|0,0,2]=4 610 B11R1.175 NC(=O)C1=NNC(C(=O)O)=C1 MC430206 [0,2,0,0,0,0|1,0,1]=4 611 B11R1.175 O=C(O)C1=CC(C(=O)O)=NN1 CS17559 [0,2,0,0,0,0|0,0,1]=3 612 B11R1.175 O=C(O)C1=CC(C(=O)O)=NN1 MC41705 [0,2,0,0,0,0|0,0,1]=3 613 B11R1.175 O=C(O)C1=NNC([N+](=O)[O-])=C1 CS10470 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.672 CC1=C(Br)NC(C(=O)O)=C1C MC106284 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br MC431106 [0,2,0,0,0,0|0,0,2]=4 616 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [0,0,1,1,0,0|0,0,2]=4 617 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [0,0,1,1,0,0|1,0,1]=4 618 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [0,0,1,1,0,0|2,0,0]=4 619 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [1,0,0,0,0,1|1,0,0]=3 620 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [1,0,0,0,0,1|1,0,0]=3 621 B9R1.2 CC1=CC(CO)=NC=C1 CS11126 [1,0,0,0,0,1|1,0,1]=4 622 B9R1.2 CC1=CC(CO)=NC=N1 MC103804 [1,0,0,0,0,1|0,0,2]=4 623 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [1,0,0,0,0,1|2,0,0]=4 624 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [1,0,0,0,0,1|2,0,0]=4 625 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [1,0,0,0,0,1|1,0,1]=4 626 B9R1.2 O=CC1=CN=CC(Br)=C1 MC20791 [1,0,0,0,0,1|2,0,0]=4 627 B9R1.2 O=CC1=CN=CC(F)=C1 CS19040 [1,0,0,0,0,1|2,0,0]=4 628 B9R1.2 O=CC1=CN=CC(O)=C1 CS15599 [1,0,0,0,0,1|2,0,0]=4 629 B9R1.2 O=CC1=NC=CC(Br)=C1 CS12092 [1,0,0,0,0,1|2,0,0]=4 630 B9R1.2 O=CC1=NC=CC(Cl)=C1 CS22794 [1,0,0,0,0,1|2,0,0]=4 631 B9R1.2 O=CC1=NC=NC(Cl)=C1 MC430292 [1,0,0,0,0,1|1,0,1]=4 632 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [1,0,0,0,0,1|2,0,0]=4 633 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [1,0,0,0,0,1|1,0,0]=3 634 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [1,0,0,0,0,1|2,0,0]=4 635 B9R1.13 O=C(O)CC1=NNC=N1 MC103734 [1,0,0,0,0,1|1,0,0]=3 636 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,0,0,0,0,2|2,0,0]=4 637 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,0,0,0,0,2|1,0,1]=4 638 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,0,0,0,0,2|1,0,0]=3 639 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 MC444153 [0,0,0,0,0,2|2,0,0]=4 640 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,0,0,0,0,2|2,0,0]=4 641 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 CS12143 [0,0,0,0,0,2|2,0,0]=4 642 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,0,0,0,0,2|2,0,0]=4 643 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 CS14652 [0,0,0,0,0,2|2,0,0]=4 644 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,0,0,0,0,2|1,0,0]=3 645 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,0,0,0,0,2|2,0,0]=4 646 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [0,0,0,0,0,2|2,0,0]=4