0 B9R1.13 CC(=O)CN1C=NC=N1 CS13822 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.13 CC(Br)CC1=NC=CS1 MC106092 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.13 CC(C)CC1=NC=CS1 CS10134 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,0,0|1,1,0]=2 5 B9R1.13 O=C(O)CC1=CN=CN1 CS22764 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.13 O=C(O)CC1=CN=CS1 MC105966 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.13 O=C(O)CC1=CNC=C1 MC106680 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.13 O=C(O)CC1=NNC=N1 MC103734 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.13 O=C(O)CN1C=CN=C1 CS22762 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CCCC1=NC=CN1 CS14621 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.8 COCC1=NC=CN1 MC104489 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 N#CCC1=CC=CS1 CS22998 [1,0,0,0,0,0|1,1,1]=4 14 B8R1.8 NNCC1=CC=CS1 MC104512 [1,0,0,0,0,0|2,1,0]=4 15 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,0,0,0,0,0|0,1,0]=2 16 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,0,0|0,1,2]=4 17 B10R1.23 NC(C(=O)O)C1=CC=CS1 MC103430 [0,1,0,0,0,0|1,1,0]=3 18 B10R1.27 COC(=O)CC1=CNC=N1 MC431278 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.54 CC(=O)NC1=CC=C(Br)S1 CS11706 [0,1,0,0,0,0|1,1,0]=3 20 B10R1.54 CC(=O)NC1=NC(Br)=CS1 MC442186 [0,1,0,0,0,0|2,1,0]=4 21 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 MC110684 [0,1,0,0,0,0|2,1,0]=4 22 B10R1.54 CC(=O)NC1=NC=C(Br)S1 CS18448 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.54 CN1C=NC(CC(=O)O)=C1 CS16463 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.54 NC1=CC(CC(=O)O)=NN1 CS20216 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.54 NC1=NC(CC(=O)O)=CS1 CS17942 [0,1,0,0,0,0|3,0,0]=4 26 B10R1.54 NC1=NC=C(CC(=O)O)S1 MC103505 [0,1,0,0,0,0|2,1,0]=4 27 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 MC102205 [0,1,0,0,0,0|2,1,0]=4 28 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 MC103590 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.64 CN1C=CC=C1CC(=O)O MC20727 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,0,1,0,0,0|1,0,2]=4 31 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [0,0,0,0,1,0|0,0,0]=1 32 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,1,0|0,1,0]=2 33 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [0,0,0,0,1,0|1,0,0]=2 34 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [0,0,0,0,1,0|2,1,0]=4 35 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [0,0,0,0,1,0|2,0,0]=3 36 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,1,0|1,0,0]=2 39 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,1,0|1,1,0]=3 40 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,1,0|1,0,1]=3 44 B8R1.7 NC(=O)C1=COC=N1 CS11829 [0,0,0,0,1,0|3,0,0]=4 45 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [0,0,0,0,1,0|3,0,0]=4 47 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [0,0,0,0,1,0|2,0,0]=3 49 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [0,0,0,0,1,0|1,0,0]=2 50 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [0,0,0,0,1,0|1,1,0]=3 51 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [0,0,0,0,1,0|2,0,0]=3 52 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [0,0,0,0,1,0|2,1,0]=4 53 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [0,0,0,0,1,0|3,0,0]=4 55 B8R1.7 O=C(O)C1=COC=C1 CS14540 [0,0,0,0,1,0|3,0,0]=4 56 B8R1.7 O=C(O)C1=COC=N1 MC441322 [0,0,0,0,1,0|3,0,0]=4 57 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [0,0,0,0,1,0|3,0,0]=4 58 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [0,0,0,0,1,0|3,0,0]=4 60 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [0,0,0,0,1,0|2,0,0]=3 61 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,0,1,0|2,1,0]=4 62 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [0,0,0,0,1,0|3,0,0]=4 63 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [0,0,0,0,1,0|3,0,0]=4 64 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [0,0,0,0,1,0|3,0,0]=4 65 B8R1.7 O=[N+]([O-])C1=CC=CN1 CS13256 [0,0,0,0,1,0|3,0,0]=4 66 B8R1.7 OB(O)C1=CC=CO1 CS22587 [0,0,0,0,1,0|2,0,1]=4 67 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,1|1,0,0]=2 68 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [0,0,0,0,0,1|1,0,0]=2 69 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,1|1,0,0]=2 70 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [0,0,0,0,0,1|1,0,0]=2 71 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [0,0,0,0,0,1|2,0,1]=4 73 B10R1.18 NC(=O)CC1=NC=CC=N1 CS17323 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.18 NC(=O)NC1=CC=CC=C1 CS10533 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.18 NC(=O)OC1=CC=CC=C1 MC428148 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.18 O=C(Cl)OC1=CC=CC=C1 CS18823 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.18 O=C(O)CC1=CC=CN=C1 CS20325 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.18 O=C(O)CC1=CC=CN=N1 MC103920 [0,0,0,0,0,1|2,0,0]=3 79 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [0,0,0,0,0,1|2,0,0]=3 80 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [0,0,0,0,0,1|2,0,0]=3 81 B10R1.18 O=C(O)CC1=CN=CN=C1 CS10494 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.18 O=C(O)CC1=CN=NC=C1 MC103838 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [0,0,0,0,0,1|2,0,0]=3 84 B10R1.18 O=C(O)CC1=NC=CC=N1 MC102381 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.18 O=C([O-])CC1=CN=NC=C1 MC103839 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.66 O=C(O)CCC1=CC=CN1 CS21786 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.66 O=C(O)CCC1=CC=CO1 MC41688 [0,0,0,0,0,1|1,0,0]=2 90 B10R1.66 O=C(O)CCC1=CNC=C1 MC430255 [0,0,0,0,0,1|3,0,0]=4 91 B10R1.66 O=C(O)CCC1=CNC=N1 MC436928 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.66 O=C(O)\C=C\C1=CC=CO1 MC41690 [0,0,0,0,0,1|1,0,1]=3 93 B7R0.2 COC(=O)CC(C)=O MC41927 [1,0,1,0,0,0|1,0,1]=4 94 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,1,0,0,0|2,0,0]=4 95 B7R1.1 BrCC1=CC=CS1 MC111260 [2,0,0,0,0,0|1,1,0]=4 96 B7R1.1 BrCC1=CC=NO1 MC114075 [2,0,0,0,0,0|2,0,0]=4 97 B7R1.1 BrCC1=NC=CO1 MC106296 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.1 CCC1=NC=CN1 CS21533 [2,0,0,0,0,0|2,0,0]=4 99 B7R1.1 CCN1C=CC=N1 CS20681 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.1 CSC1=NC=CO1 CS17723 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.1 ClCC1=CC=CO1 CS13429 [2,0,0,0,0,0|1,0,0]=3 102 B7R1.1 ClCC1=CN=CO1 MC105780 [2,0,0,0,0,0|2,0,0]=4 103 B7R1.1 ClCC1=CN=CO1 MC114644 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.1 NCC1=CC=CN1 CS14874 [2,0,0,0,0,0|2,0,0]=4 105 B7R1.1 NCC1=CC=CO1 MC41689 [2,0,0,0,0,0|1,0,0]=3 106 B7R1.1 NCC1=CC=CS1 CS22783 [2,0,0,0,0,0|1,1,0]=4 107 B7R1.1 NCC1=CN=CO1 CS17502 [2,0,0,0,0,0|2,0,0]=4 108 B7R1.1 NCC1=CN=CO1 CS18508 [2,0,0,0,0,0|2,0,0]=4 109 B7R1.1 NCC1=CN=CO1 MC104477 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.1 O=CC1=CC=CN1 CS17764 [2,0,0,0,0,0|1,0,0]=3 111 B7R1.1 O=CC1=CC=CN1 MC434011 [2,0,0,0,0,0|1,0,0]=3 112 B7R1.1 O=CC1=CC=CO1 MC41686 [2,0,0,0,0,0|0,0,0]=2 113 B7R1.1 O=CC1=CC=CS1 CS16400 [2,0,0,0,0,0|0,1,0]=3 114 B7R1.1 O=CC1=CN=CO1 MC100355 [2,0,0,0,0,0|1,0,0]=3 115 B7R1.1 O=CC1=CN=CS1 CS15582 [2,0,0,0,0,0|1,1,0]=4 116 B7R1.1 O=CC1=CNC=C1 CS20728 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.1 O=CC1=CNC=N1 CS14113 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.1 O=CC1=CSC=C1 CS14553 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.1 O=CC1=CSC=N1 MC33021 [2,0,0,0,0,0|2,0,0]=4 120 B7R1.1 O=CC1=NC=CN1 CS15723 [2,0,0,0,0,0|2,0,0]=4 121 B7R1.1 O=CC1=NNC=C1 CS18284 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.1 OCC1=CC=CO1 MC41687 [2,0,0,0,0,0|0,0,1]=3 123 B7R1.1 OCC1=CC=NO1 CS15343 [2,0,0,0,0,0|1,0,1]=4 124 B9R1.7 CC1=CC=C(N=C=O)O1 MC106103 [1,1,0,0,0,0|1,0,1]=4 125 B9R1.7 COCC1=CC(N)=NO1 MC107872 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.7 O=CCC1=NC=C(Br)S1 MC104142 [1,1,0,0,0,0|1,1,0]=4 127 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [1,1,0,0,0,0|1,0,1]=4 128 B9R1.12 CCOCC1=CC=CO1 CS17009 [1,1,0,0,0,0|0,0,1]=3 129 B9R1.12 O=C\C=C\C1=CC=CO1 CS21800 [1,1,0,0,0,0|0,0,1]=3 130 B9R1.12 O=C\C=C\C1=CC=CO1 CS21801 [1,1,0,0,0,0|0,0,1]=3 131 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,1,0,0,1,0|0,1,0]=3 132 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,1,0,0,1,0|1,0,0]=3 133 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,1,0,0,1,0|1,0,0]=3 134 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,1,0,0,1,0|1,1,0]=4 135 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,1,0,0,1,0|0,1,0]=3 136 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,1,0,0,1,0|2,0,0]=4 137 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,1,0,0,1,0|0,0,0]=2 138 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,1,0,0,1,0|0,1,0]=3 139 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,1,0,0,1,0|0,1,0]=3 140 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,1,0,0,1,0|1,1,0]=4 141 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,1,0,0,1,0|2,0,0]=4 142 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,1,0,0,1,0|2,0,0]=4 143 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,1,0,0,1,0|1,0,0]=3 144 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,1,0,0,1,0|2,0,0]=4 145 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,1,0,0,1,0|2,0,0]=4 146 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,1,0,0,1,0|1,0,0]=3 147 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,1,0,0,1,0|1,1,0]=4 148 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,1,0,0,1,0|2,0,0]=4 149 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,1,0,0,1,0|1,0,0]=3 150 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,1,0,0,1,0|2,0,0]=4 151 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,1,0,0,1,0|2,0,0]=4 152 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,1,0,0,1,0|2,0,0]=4 153 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,1,0,0,1,0|1,0,0]=3 154 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,1,0,0,1,0|2,0,0]=4 155 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,1,0,0,1,0|1,0,0]=3 156 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,1,0,0,1,0|1,0,0]=3 157 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,1,0,0,1,0|1,1,0]=4 158 B9R1.35 O=C(O)C1=CC(Br)=CN1 CS22700 [0,1,0,0,1,0|2,0,0]=4 159 B9R1.35 O=C(O)C1=CC(Br)=CO1 CS10558 [0,1,0,0,1,0|1,0,0]=3 160 B9R1.35 O=C(O)C1=CC(Br)=CS1 CS22681 [0,1,0,0,1,0|1,1,0]=4 161 B9R1.35 O=C(O)C1=CC(Br)=NO1 CS22178 [0,1,0,0,1,0|2,0,0]=4 162 B9R1.35 O=C(O)C1=CC(O)=NO1 CS13360 [0,1,0,0,1,0|2,0,0]=4 163 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,1,0,0,1,0|2,0,0]=4 164 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,1,0,0,1,0|1,0,0]=3 165 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,1,0,0,1,0|1,1,0]=4 166 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,1,0,0,1,0|1,0,0]=3 167 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,1,0,0,1,0|1,1,0]=4 168 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,1,0,0,1,0|2,0,0]=4 169 B9R1.35 O=C(O)c1cc(F)cs1 MC430853 [0,1,0,0,1,0|1,1,0]=4 170 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,1,0,0,1,0|1,1,0]=4 171 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,1,0,0,1,0|0,1,0]=3 172 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,1,0,0,1,0|2,0,0]=4 173 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,1,0,0,1,0|2,0,0]=4 174 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,1,0,0,1,0|2,0,0]=4 175 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,1,0,0,1,0|1,1,0]=4 176 B9R1.41 NC(=O)C1=CC=CN1N CS20727 [0,1,0,0,1,0|2,0,0]=4 177 B9R1.41 O=C(O)C1=C(Br)C=CS1 CS17286 [0,1,0,0,1,0|1,1,0]=4 178 B9R1.41 O=C(O)C1=C(Cl)C=CS1 MC20302 [0,1,0,0,1,0|1,1,0]=4 179 B9R1.41 O=C(O)C1=C(F)C=CS1 CS21775 [0,1,0,0,1,0|1,1,0]=4 180 B9R1.41 O=C(O)C1=C(S)C=CS1 MC116754 [0,1,0,0,1,0|1,1,0]=4 181 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 MC10315 [0,1,0,0,0,1|1,0,0]=3 182 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 CS22844 [0,1,0,0,0,1|1,0,0]=3 183 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 MC428013 [0,1,0,0,0,1|2,0,0]=4 184 B11R1.20 CC(=O)NC1=CC=C(Cl)N=N1 MC443192 [0,1,0,0,0,1|2,0,0]=4 185 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 MC33116 [0,1,0,0,0,1|2,0,0]=4 186 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 CS19283 [0,1,0,0,0,1|2,0,0]=4 187 B11R1.20 CC(=O)NC1=NC=C(Br)C=N1 MC443320 [0,1,0,0,0,1|2,0,0]=4 188 B11R1.20 CC(=O)OC1=CC=C(Br)C=C1 MC40002 [0,1,0,0,0,1|2,0,0]=4 189 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 MC20138 [0,1,0,0,0,1|2,0,0]=4 190 B11R1.20 CC(=O)OC1=CC=C(I)C=C1 MC103137 [0,1,0,0,0,1|2,0,0]=4 191 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 CS21084 [0,1,0,0,0,1|2,0,0]=4 192 B11R1.20 CC1=CC=C(CC(=O)O)C=N1 MC429948 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS14692 [0,1,0,0,0,1|2,0,0]=4 194 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS21002 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.20 NC1=CN=C(CC(=O)O)N=C1 MC444153 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS20812 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 MC40158 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 CS10817 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.20 O=C(O)CC1=CC=C(F)N=C1 MC429488 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 CS20852 [0,1,0,0,0,1|2,0,0]=4 201 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 MC40180 [0,1,0,0,0,1|2,0,0]=4 202 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 MC40184 [0,1,0,0,0,1|2,0,0]=4 203 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 CS13319 [0,1,0,0,0,1|2,0,0]=4 204 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 CS12143 [0,1,0,0,0,1|2,0,0]=4 205 B11R1.20 O=C(O)CC1=NC=C(Cl)C=C1 CS14073 [0,1,0,0,0,1|2,0,0]=4 206 B11R1.20 O=C(O)CC1=NC=C(F)C=N1 CS14652 [0,1,0,0,0,1|2,0,0]=4 207 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS10890 [0,1,0,0,0,1|2,0,0]=4 208 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 CS14544 [0,1,0,0,0,1|2,0,0]=4 209 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 CS15488 [0,1,0,0,0,1|2,0,0]=4 210 B11R1.36 NC(=O)C(N)c1ccccc1 MC438104 [0,1,0,0,0,1|2,0,0]=4 211 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 CS15858 [0,1,0,0,0,1|2,0,0]=4 212 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS11192 [0,1,0,0,0,1|2,0,0]=4 213 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 CS14083 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.36 NC(C(=O)O)c1ccccc1 MC438102 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.36 NC(C(=O)O)c1ccccc1 MC438103 [0,1,0,0,0,1|2,0,0]=4 216 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10861 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS10862 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 CS15279 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.40 CCC(=O)CC1=CC=CC=C1 MC41289 [0,1,0,0,0,1|1,0,0]=3 220 B11R1.40 COC(=O)CC1=CC=CN=N1 MC103761 [0,1,0,0,0,1|1,0,0]=3 221 B11R1.40 COC(=O)CC1=CN=NC=C1 MC101903 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.40 COC(=O)CC1=NC=NC=C1 MC104059 [0,1,0,0,0,1|1,0,0]=3 223 B11R1.40 NNC(=O)CC1=CC=NC=C1 CS21751 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.40 O=C(CO)CC1=CC=CC=C1 MC107738 [0,1,0,0,0,1|1,0,0]=3 225 B11R1.86 CC(=O)CC1=C(Cl)C=CC=C1 MC10294 [0,1,0,0,0,1|1,0,0]=3 226 B11R1.86 CC(=O)CC1=C(F)C=CC=C1 MC10318 [0,1,0,0,0,1|1,0,0]=3 227 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 MC427446 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 CS21203 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.86 CC(=O)NC1=NC=CC=C1O MC427313 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.86 CC(=O)OC1=C(C)C=CC=C1 MC40007 [0,1,0,0,0,1|2,0,0]=4 231 B11R1.86 CC1=C(CC(=O)O)C=CC=C1 CS21083 [0,1,0,0,0,1|2,0,0]=4 232 B11R1.86 NC1=C(CC(=O)O)C=CC=C1 CS20995 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.86 NC1=C(CC(=O)O)C=NC=C1 MC111253 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 CS20809 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.86 O=C(O)CC1=C(Cl)C=CC=C1 CS20826 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 MC429403 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.86 O=C(O)CC1=C(I)C=CC=C1 CS20849 [0,1,0,0,0,1|2,0,0]=4 238 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 CS20941 [0,1,0,0,0,1|2,0,0]=4 239 B11R1.86 O=C(O)CC1=CC=CN=C1F MC429275 [0,1,0,0,0,1|2,0,0]=4 240 B11R1.86 O=C(O)CC1=CC=CNC1=O MC430201 [0,1,0,0,0,1|2,0,0]=4 241 B11R1.86 O=C(O)CC1=NC=CC=C1Cl CS19561 [0,1,0,0,0,1|2,0,0]=4 242 B11R1.86 O=C(O)CC1=NC=CC=C1F MC431700 [0,1,0,0,0,1|2,0,0]=4 243 B11R1.86 O=C(O)CC1=NC=CC=C1F MC432211 [0,1,0,0,0,1|2,0,0]=4 244 B11R1.86 O=C(O)CC1=NC=CN=C1Cl MC104770 [0,1,0,0,0,1|2,0,0]=4 245 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,1,0,0,0,1|1,0,0]=3 246 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [0,1,0,0,0,1|2,0,0]=4 247 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,1,0,0,0,1|2,0,0]=4 248 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,1,0,0,0,1|2,0,0]=4 249 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 MC20703 [0,1,0,0,0,1|2,0,0]=4 250 B11R1.157 CC(=O)NC1=NC=CC(Br)=C1 CS16776 [0,1,0,0,0,1|2,0,0]=4 251 B11R1.157 CC(=O)NC1=NC=CC(Cl)=C1 CS11715 [0,1,0,0,0,1|2,0,0]=4 252 B11R1.157 CC(=O)NC1=NC=NC(N)=C1 MC115540 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,1,0,0,0,1|2,0,0]=4 254 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,1,0,0,0,1|2,0,0]=4 255 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,1,0,0,0,1|2,0,0]=4 256 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 MC431740 [0,1,0,0,0,1|2,0,0]=4 257 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 CS21911 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 CS10775 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 CS21923 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 MC40173 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 MC431564 [0,1,0,0,0,1|2,0,0]=4 264 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 MC430121 [0,1,0,0,0,1|2,0,0]=4 265 B11R1.157 O=C(O)CC1=CC(I)=CC=C1 CS20851 [0,1,0,0,0,1|2,0,0]=4 266 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 CS20944 [0,1,0,0,0,1|2,0,0]=4 267 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 CS12801 [0,1,0,0,0,1|2,0,0]=4 268 B11R1.157 O=C(O)CC1=NC(Cl)=CN=C1 CS12495 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.35 NC(CC1=CC=CO1)C(=O)O CS13507 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.35 NC(CC1=CC=CS1)C(=O)O CS20416 [0,1,0,0,0,1|1,1,0]=4 271 B11R1.35 NC(Cc1cccs1)C(=O)O MC438193 [0,1,0,0,0,1|1,1,0]=4 272 B11R1.35 NC(Cc1cccs1)C(=O)O MC438194 [0,1,0,0,0,1|1,1,0]=4 273 B11R1.31 COC(=O)C(N)N1C=CC=N1 MC435566 [0,2,0,0,0,0|2,0,0]=4 274 B11R1.31 COC(=O)C(N)N1C=CC=N1 MC435567 [0,2,0,0,0,0|2,0,0]=4 275 B11R1.30 CCOC(=O)CC1=NC=CS1 CS13253 [0,2,0,0,0,0|1,1,0]=4 276 B11R1.39 COC(=O)CC1=NC(Cl)=CS1 MC105142 [0,2,0,0,0,0|1,1,0]=4 277 B11R1.39 COC(=O)CC1=NC=C(Cl)S1 MC105132 [0,2,0,0,0,0|1,1,0]=4 278 B11R1.39 COC(=O)CC1=NNC(C)=C1 MC429556 [0,2,0,0,0,0|2,0,0]=4 279 B11R1.39 COC(=O)CN1C=C(Br)C=N1 CS16222 [0,2,0,0,0,0|2,0,0]=4 280 B11R1.39 COC(=O)CN1C=C(N)C=N1 MC425275 [0,2,0,0,0,0|2,0,0]=4 281 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [0,0,1,1,0,0|1,0,1]=4 282 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [0,0,1,1,0,0|1,0,1]=4 283 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [0,0,1,1,0,0|1,0,1]=4 284 B11R2.10 CC1=CC2=CC=CC=C2C1 CS11052 [0,0,0,1,0,1|2,0,0]=4 285 B11R2.10 O=C1CC2=C(C=CC=C2)O1 MC20944 [0,0,0,1,0,1|2,0,0]=4 286 B11R2.10 O=C1CC2=C(N=CN=C2)N1 MC101998 [0,0,0,1,0,1|2,0,0]=4 287 B11R2.10 O=C1CC2=CC=CC=C2C1 CS16080 [0,0,0,1,0,1|1,0,0]=3 288 B11R2.10 O=C1CC2=CC=CC=C2N1 CS15184 [0,0,0,1,0,1|2,0,0]=4 289 B11R2.10 O=C1CC2=CC=NC=C2N1 MC100071 [0,0,0,1,0,1|2,0,0]=4 290 B11R2.10 O=C1CC2=NC=CC=C2O1 MC106428 [0,0,0,1,0,1|2,0,0]=4 291 B11R2.10 O=C1CN2C=CC=CC2=N1 MC427358 [0,0,0,1,0,1|2,0,0]=4 292 B11R2.36 CC1=CC2=C(C=C1)OC=C2 MC441161 [0,0,0,1,0,1|1,0,1]=4 293 B11R2.36 O=C1CCC2=C(C1)SC=N2 MC103261 [0,0,0,1,0,1|2,0,0]=4 294 B11R2.36 O=C1CCC2=C(C=NN2)C1 MC116171 [0,0,0,1,0,1|2,0,0]=4 295 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,1|1,0,1]=4 296 B9R1.8 CNCC1=CC=CC=C1 MC10559 [1,0,0,0,0,1|2,0,0]=4 297 B9R1.8 CNCC1=CC=CC=C1 MC20323 [1,0,0,0,0,1|2,0,0]=4 298 B9R1.8 CNCC1=CC=CC=C1 MC21006 [1,0,0,0,0,1|2,0,0]=4 299 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,1|2,0,0]=4 300 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,1|2,0,0]=4 301 B9R1.8 O=CCC1=CC=CN=C1 MC106360 [1,0,0,0,0,1|1,0,0]=3 302 B9R1.8 O=CCC1=CC=NC=C1 MC106357 [1,0,0,0,0,1|1,0,0]=3 303 B9R1.8 O=CCC1=NC=CC=N1 MC105911 [1,0,0,0,0,1|1,0,0]=3 304 B9R1.8 O=CNC1=CC=CC=C1 MC40924 [1,0,0,0,0,1|2,0,0]=4 305 B9R1.8 O=COC1=CC=CC=C1 MC40136 [1,0,0,0,0,1|2,0,0]=4 306 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,0,2|1,0,0]=3 307 B11R1.91 CC(=O)NCC1=CN=CN=C1 MC105786 [0,0,0,0,0,2|2,0,0]=4 308 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,0,2|1,0,0]=3 309 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,0,2|2,0,0]=4 310 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,0,2|2,0,0]=4 311 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425129 [0,0,0,0,0,2|2,0,0]=4 312 B11R1.91 O=C(O)CNC1=CC=NC=C1 MC425915 [0,0,0,0,0,2|2,0,0]=4 313 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,0,2|2,0,0]=4 314 B11R1.91 O=C(O)COC1=CC=NC=C1 MC443726 [0,0,0,0,0,2|2,0,0]=4 315 B11R1.172 O=C(O)CCCC1=CC=CS1 MC443875 [0,0,0,0,0,2|1,1,0]=4