0 B11R2.1 BrC1=NNC2=C1C=CC=C2 0111070064 [0,0,0,0,0,0|2,0,0]=2 1 B11R2.1 CC1=NOC2=C1C=CN=C2 7135493 [0,0,0,0,0,0|2,0,0]=2 2 B11R2.1 CN1C=CC2=C1C=CC=C2 2826786 [0,0,0,0,0,0|4,0,0]=4 3 B11R2.1 CN1CCC2=CC=CC=C21 3585918 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.1 NC1=C2C=CC=CC2=NS1 7110952728 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 NC1=NNC2=C1C=CC=C2 1218431 [0,0,0,0,0,0|2,0,0]=2 6 B11R2.1 NC1=NNC2=NC=CC=C12 7110952567 [0,0,0,0,0,0|3,0,0]=3 7 B11R2.1 O=C1CCC2=CC=CC=C12 1202552 [0,0,0,0,0,0|2,0,1]=3 8 B11R2.1 O=C1NCC2=C1C=CC=C2 2422687 [0,0,0,0,0,0|1,0,2]=3 9 B11R2.1 O=C1OCC2=C1C=CC=C2 2826988 [0,0,0,0,0,0|2,0,1]=3 10 B11R2.1 OC1=NNC2=CC=CC=C21 7020542804 [0,0,0,0,0,0|1,0,0]=1 11 B11R2.1 OC1=NOC2=CC=CC=C21 5011377 [0,0,0,0,0,0|0,0,0]=0 12 B11R2.1 ON1N=NC2=CC=CC=C21 1194818 [0,0,0,0,0,0|2,0,0]=2 13 B11R2.1 ON1N=NC2=CC=CC=C21 22430535 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.1 SC1=NN=C2C=CC=CN12 1056737 [0,0,0,0,0,0|2,1,0]=3 15 B10R2.7 C1=CC2=C(C=C1)NCC2 2826118 [1,0,0,0,0,0|2,0,1]=4 16 B10R2.7 C1=CC2=C(C=C1)OCC2 2826125 [1,0,0,0,0,0|1,0,1]=3 17 B10R2.7 C1=CC2=CN=CC=C2N1 4061043 [1,0,0,0,0,0|3,0,0]=4 18 B10R2.7 C1=CC2=NC=CN2C=C1 2817228 [1,0,0,0,0,0|3,0,0]=4 19 B10R2.7 C1=CC2=NN=CN2C=C1 6248250 [1,0,0,0,0,0|2,0,0]=3 20 B10R2.7 C1=CC2=NSN=C2C=C1 7020556981 [1,0,0,0,0,0|3,0,0]=4 21 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [1,0,0,0,0,0|2,0,1]=4 22 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [1,0,0,0,0,0|1,0,2]=4 23 B10R2.7 C1=CC=C2N=S=NC2=C1 7017520014 [1,0,0,0,0,0|3,0,0]=4 24 B10R2.7 C1=CC=C2NC=CC2=C1 2826038 [1,0,0,0,0,0|2,0,0]=3 25 B10R2.7 C1=CC=C2NC=NC2=C1 1234652 [1,0,0,0,0,0|3,0,0]=4 26 B10R2.7 C1=CC=C2NN=CC2=C1 1435639 [1,0,0,0,0,0|1,0,0]=2 27 B10R2.7 C1=CC=C2NN=NC2=C1 2030889 [1,0,0,0,0,0|2,0,0]=3 28 B10R2.7 C1=CC=C2OCOC2=C1 2826166 [1,0,0,0,0,0|2,0,0]=3 29 B10R2.7 C1=CN=C2C=CNC2=C1 4061045 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.1 N#CC1=CNC2=CC=CC=C12 7213750154 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.1 NCC1=CNC2=CC=CC=C12 7020690230 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.1 NCC1=NC=C2C=CC=CN21 1143980 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.1 NCC1=NN=C2C=CC=CN21 1056738 [0,1,0,0,0,0|3,0,0]=4 34 B12R2.1 NCC1=NN=C2C=CC=CN21 7010458 [0,1,0,0,0,0|3,0,0]=4 35 B12R2.1 O=CC1=CNC2=CC=CC=C12 1107042 [0,1,0,0,0,0|2,0,1]=4 36 B12R2.1 OCC1=CN=C2C=CC=CN12 1320846 [0,1,0,0,0,0|3,0,0]=4 37 B12R2.1 OCN1N=CC2=C1C=CC=C2 11639076 [0,1,0,0,0,0|2,0,0]=3 38 B12R2.18 CC1=C(Br)C2=CC=CC=C2N1 1361130 [0,1,0,0,0,0|3,0,0]=4 39 B12R2.18 CC1=C(I)C2=CC=CC=C2N1 1361959 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.18 CN1CC2=C(C=CC=C2)C1=O 6338564 [0,1,0,0,0,0|1,0,2]=4 41 B12R2.18 NC1CC2=CC=CC=C2C1O 2048787 [0,1,0,0,0,0|2,0,1]=4 42 B12R2.18 O=C1NC2=CC=CC=C2C1=O 2828769 [0,1,0,0,0,0|2,0,1]=4 43 B12R2.132 CC1=CC2=C(C=C1)NN=C2Br 5045003 [0,1,0,0,0,0|2,0,0]=3 44 B12R2.132 NC1=CC=C2CNC(=O)C2=C1 2212785 [0,1,0,0,0,0|1,0,2]=4 45 B12R2.132 NC1=NNC2=CC=C(Br)C=C21 3998421 [0,1,0,0,0,0|2,0,0]=3 46 B12R2.132 O=C1CCC2=CC=C(Cl)C=C12 1202555 [0,1,0,0,0,0|2,0,1]=4 47 B12R2.132 OC1CCC2=CC=C(Cl)C=C21 1202612 [0,1,0,0,0,0|2,0,1]=4 48 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 1202565 [0,1,0,0,0,0|2,0,1]=4 49 B12R2.196 O=C1CCC2=C(O)C=CC=C12 2828882 [0,1,0,0,0,0|2,0,1]=4 50 B12R2.203 ClC1=C2C(=CC=C1)NN=C2Br 7215204 [0,1,0,0,0,0|2,0,0]=3 51 B12R2.203 NC1=NNC2=CC=CC(F)=C21 2212500 [0,1,0,0,0,0|2,0,0]=3 52 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 1270739 [0,1,0,0,0,0|3,0,0]=4 53 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 3668641 [0,1,0,0,0,0|2,0,1]=4 54 B12R2.612 NC1=NNC2=C1C=CC(Br)=C2 5008415 [0,1,0,0,0,0|2,0,0]=3 55 B12R2.612 O=C1COC2=CC(O)=CC=C12 7014000096 [0,1,0,0,0,0|1,0,1]=3 56 B12R2.2028 BrC1=NC(Br)=C2C=CC=CN12 3507232 [0,1,0,0,0,0|3,0,0]=4 57 B12R2.2028 CC1=NN(C)C2=C1C=CN=C2 7135491 [0,1,0,0,0,0|3,0,0]=4 58 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 1195498 [0,1,0,0,0,0|1,0,2]=4 59 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 2828876 [0,1,0,0,0,0|2,0,1]=4 60 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 2889482 [0,1,0,0,0,0|1,0,2]=4 61 B10R1.15 CC(NO)C1=CC=CC=C1 1204024 [0,0,1,0,0,0|1,0,2]=4 62 B10R1.15 CCC(=O)C1=CC=CC=C1 1043816 [0,0,1,0,0,0|2,0,1]=4 63 B10R1.15 CNC(=O)C1=CC=CC=C1 5032223 [0,0,1,0,0,0|1,0,2]=4 64 B10R1.15 COC(=O)C1=CC=CC=C1 2132029 [0,0,1,0,0,0|2,0,1]=4 65 B10R1.15 CSC(=N)C1=CC=CC=C1 22430530 [0,0,1,0,0,0|3,0,0]=4 66 B10R1.15 C\C(=N/O)C1=CC=CC=C1 2827049 [0,0,1,0,0,0|1,0,0]=2 67 B10R1.15 C\C(=N/O)C1=NC=CC=C1 5011323 [0,0,1,0,0,0|2,0,0]=3 68 B10R1.15 NCC(=O)C1=CC=CC=C1 1042947 [0,0,1,0,0,0|2,0,1]=4 69 B10R1.15 NNC(=O)C1=CC=CC=C1 1778868 [0,0,1,0,0,0|1,0,2]=4 70 B10R1.15 N\C(=N\O)C1=CC=CC=C1 4434547 [0,0,1,0,0,0|1,0,0]=2 71 B10R1.15 O=C(CBr)C1=CC=CC=C1 2125402 [0,0,1,0,0,0|2,0,1]=4 72 B10R1.15 O=CC(=O)C1=CC=CC=C1 2826987 [0,0,1,0,0,0|1,0,2]=4 73 B10R1.15 OC(CCl)C1=CC=CC=C1 1500436 [0,0,1,0,0,0|2,0,1]=4 74 B10R1.17 BrCCOC1=CC=CC=C1 7110952510 [0,0,1,0,0,0|2,0,1]=4 75 B10R1.17 N#CCOC1=CC=CC=C1 7020402308 [0,0,1,0,0,0|2,0,1]=4 76 B10R1.17 NCCOC1=CC=CC=C1 7020330514 [0,0,1,0,0,0|2,0,1]=4 77 B10R1.17 O=C=NCC1=CC=CC=C1 1055530 [0,0,1,0,0,0|1,0,2]=4 78 B10R1.17 O=CCCC1=CC=CC=C1 1191525 [0,0,1,0,0,0|2,0,1]=4 79 B10R1.17 O=C\C=C\C1=CC=CC=C1 1778825 [0,0,1,0,0,0|2,0,1]=4 80 B10R1.17 OCCNC1=CC=CC=C1 1866520 [0,0,1,0,0,0|2,0,1]=4 81 B10R1.17 OCCOC1=CC=CC=C1 1275759 [0,0,1,0,0,0|1,0,1]=3 82 B10R1.17 SCCOC1=CC=CC=C1 1310591 [0,0,1,0,0,0|1,1,1]=4 83 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 2818083 [0,0,1,0,0,0|3,0,0]=4 84 B10R1.20 COC1=C(C#N)C=CC=C1 1778845 [0,0,1,0,0,0|2,0,1]=4 85 B10R1.20 COC1=C(C=O)C=CC=C1 1180631 [0,0,1,0,0,0|1,0,1]=3 86 B10R1.20 COC1=C(CO)C=CC=C1 1778903 [0,0,1,0,0,0|1,0,1]=3 87 B10R1.20 COC1=C(OC)C=CC=C1 2827242 [0,0,1,0,0,0|3,0,0]=4 88 B10R1.20 COC1=CC=CC=C1NN 5009392 [0,0,1,0,0,0|3,0,0]=4 89 B10R1.20 CSC1=C(CO)C=CC=C1 7020542492 [0,0,1,0,0,0|1,1,1]=4 90 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 1287341 [0,0,1,0,0,0|2,0,1]=4 91 B10R1.61 CC(=O)C1=C(O)C=CC=C1 1778867 [0,0,1,0,0,0|1,0,1]=3 92 B10R1.61 CC(=O)C1=CC=CC=C1N 2827048 [0,0,1,0,0,0|2,0,1]=4 93 B10R1.61 CC(C)C1=C(O)C=CC=C1 2827124 [0,0,1,0,0,0|2,0,1]=4 94 B10R1.61 CC1=C(C(=O)Cl)C=CC=C1 1051707 [0,0,1,0,0,0|2,0,1]=4 95 B10R1.61 CC1=C(C(=O)O)N=CC=C1 2818254 [0,0,1,0,0,0|3,0,0]=4 96 B10R1.61 CC1=C(C(N)=O)C=CC=C1 1375207 [0,0,1,0,0,0|1,0,2]=4 97 B10R1.61 CC1=CC=CC=C1C(=O)O 1901857 [0,0,1,0,0,0|2,0,0]=3 98 B10R1.61 CC1=CC=CC=C1C(N)=S 1288011 [0,0,1,0,0,0|1,1,1]=4 99 B10R1.61 N=C(N)C1=C(F)C=CC=C1 3515450 [0,0,1,0,0,0|2,0,0]=3 100 B10R1.61 NC(=O)C1=CC=CC=C1N 0125330235 [0,0,1,0,0,0|1,0,2]=4 101 B10R1.61 NC(=O)C1=CC=CC=C1O 2131902 [0,0,1,0,0,0|0,0,2]=3 102 B10R1.61 NC(=S)C1=C(Cl)C=CC=C1 7020331321 [0,0,1,0,0,0|1,1,1]=4 103 B10R1.61 NC(=S)C1=C(F)C=CC=C1 7020331314 [0,0,1,0,0,0|1,1,1]=4 104 B10R1.61 NC1=C(C(=O)O)C=CC=C1 3585810 [0,0,1,0,0,0|2,0,0]=3 105 B10R1.61 O=C(Cl)C1=CC=CC=C1Cl 1051740 [0,0,1,0,0,0|2,0,1]=4 106 B10R1.61 O=C(Cl)C1=CC=CC=C1F 1051710 [0,0,1,0,0,0|2,0,1]=4 107 B10R1.61 O=C(O)C1=C(Br)C=CC=N1 3686191 [0,0,1,0,0,0|3,0,0]=4 108 B10R1.61 O=C(O)C1=C(Cl)C=CC=C1 1902292 [0,0,1,0,0,0|2,0,0]=3 109 B10R1.61 O=C(O)C1=C(Cl)N=CC=C1 2830994 [0,0,1,0,0,0|3,0,0]=4 110 B10R1.61 O=C(O)C1=C(I)C=CC=C1 3054308 [0,0,1,0,0,0|2,0,0]=3 111 B10R1.61 O=C(O)C1=C(S)C=CC=C1 2829766 [0,0,1,0,0,0|1,1,0]=3 112 B10R1.61 O=C(O)C1=CC=CC=C1Br 7119571920 [0,0,1,0,0,0|2,0,0]=3 113 B10R1.61 O=C(O)C1=CC=CC=C1F 1901890 [0,0,1,0,0,0|2,0,0]=3 114 B10R1.61 O=C(O)C1=CC=CC=C1O 2129564 [0,0,1,0,0,0|1,0,0]=2 115 B10R1.61 O=C(O)C1=CC=CNC1=O 4059409 [0,0,1,0,0,0|2,0,1]=4 116 B10R1.61 O=[N+]([O-])C1=C(O)C=CC=C1 7211720040 [0,0,1,0,0,0|2,0,1]=4 117 B10R1.61 OB(O)C1=C(F)C=CC=C1 1586067 [0,0,1,0,0,0|3,0,0]=4 118 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [0,0,0,0,0,1|3,0,0]=4 119 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [0,0,0,0,0,1|3,0,0]=4 120 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [0,0,0,0,0,1|3,0,0]=4 121 B12R2.24 NC1=NC2=CC=CC=C2CS1 5009562 [0,0,0,0,0,1|3,0,0]=4 122 B12R2.24 NC1COC2=CC=CC=C2C1 1179713 [0,0,0,0,0,1|2,0,1]=4 123 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [0,0,0,0,0,1|2,0,1]=4 124 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [0,0,0,0,0,1|2,0,1]=4 125 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 2819843 [0,0,0,0,0,1|2,0,1]=4 126 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [0,0,0,0,0,1|2,0,1]=4 127 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [0,0,0,0,0,1|2,0,1]=4 128 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [0,0,0,0,0,1|1,0,1]=3 129 B12R2.24 O=C1COC2=CC=CN=C2N1 1121255 [0,0,0,0,0,1|2,0,1]=4 130 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [0,0,0,0,0,1|1,1,1]=4 131 B12R2.24 OC1=CC2=C(C=C1)N=CC=C2 2819404 [0,0,0,0,0,1|3,0,0]=4 132 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [0,0,0,0,0,1|2,0,0]=3 133 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [0,0,0,0,0,1|2,1,0]=4 134 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 4005684 [0,0,0,0,0,1|2,0,0]=3 135 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 2827940 [0,0,0,0,0,1|3,0,0]=4 136 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 2823586 [0,0,0,0,0,1|3,0,0]=4 137 B12R2.1081 ClC1=C2C=CC=CC2=NC=N1 2833074 [0,0,0,0,0,1|2,0,0]=3 138 B12R2.1081 ClC1=C2C=CN=CC2=CC=N1 5730887 [0,0,0,0,0,1|3,0,0]=4 139 B12R2.1081 NC1=C2C=CC=CC2=NC=N1 2212834 [0,0,0,0,0,1|2,0,0]=3 140 B12R2.1081 NC1=CC=CC2=CC=CC=C12 1507828 [0,0,0,0,0,1|3,0,0]=4 141 B12R2.1081 NC1=NC=CC2=CC=CC=C21 1055516 [0,0,0,0,0,1|2,0,0]=3 142 B12R2.1081 NC1CCOC2=C1C=CC=C2 7020610028 [0,0,0,0,0,1|2,0,1]=4 143 B12R2.1081 O=C1C=CNC2=CC=CC=C12 3644587 [0,0,0,0,0,1|2,0,1]=4 144 B12R2.1081 O=C1C=NNC2=CC=CC=C12 7020542795 [0,0,0,0,0,1|1,0,1]=3 145 B12R2.1081 O=C1CCCC2=C1C=CC=C2 1202501 [0,0,0,0,0,1|2,0,1]=4 146 B12R2.1081 O=C1CCNC2=CC=CC=C12 1366766 [0,0,0,0,0,1|2,0,1]=4 147 B12R2.1081 O=C1CCOC2=CC=CC=C12 1392616 [0,0,0,0,0,1|1,0,1]=3 148 B12R2.1081 O=C1NC=CC2=CC=CC=C12 1522001 [0,0,0,0,0,1|1,0,2]=4 149 B12R2.1081 O=C1NC=NC2=CC=CC=C12 7010010203 [0,0,0,0,0,1|1,0,2]=4 150 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 3463424 [0,0,0,0,0,1|1,0,1]=3 151 B12R2.1081 O=C1NN=NC2=CC=CC=C12 7015160142 [0,0,0,0,0,1|1,0,1]=3 152 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 2819403 [0,0,0,0,0,1|2,0,0]=3 153 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 2828333 [0,0,0,0,0,1|3,0,0]=4 154 B12R2.1081 OC1=CC=CC2=CC=CC=C12 1507830 [0,0,0,0,0,1|2,0,0]=3 155 B12R2.1081 OC1CCNC2=CC=CC=C21 3508271 [0,0,0,0,0,1|2,0,1]=4 156 B12R2.1081 OC1CCOC2=CC=CC=C21 1298907 [0,0,0,0,0,1|1,0,1]=3 157 B9R1.6 C=C(C)C1=CC=CC=C1 2826092 [1,0,1,0,0,0|2,0,0]=4 158 B9R1.6 CC(=O)C1=CC=CC=C1 1043797 [1,0,1,0,0,0|1,0,1]=4 159 B9R1.6 N=C(N)C1=CC=CC=C1 3337437 [1,0,1,0,0,0|1,0,0]=3 160 B9R1.6 NC(=O)C1=CC=CC=C1 7113222106 [1,0,1,0,0,0|0,0,2]=4 161 B9R1.6 NC(=S)C1=CC=CC=C1 1001334 [1,0,1,0,0,0|0,1,1]=4 162 B9R1.6 O=C(O)C1=CC=CC=C1 1778690 [1,0,1,0,0,0|0,0,1]=3 163 B9R1.6 O=C(O)C1=CC=CN=C1 2084332 [1,0,1,0,0,0|1,0,1]=4 164 B9R1.6 O=C(O)C1=CC=NC=C1 22430647 [1,0,1,0,0,0|1,0,1]=4 165 B9R1.6 O=C(O)C1=NC=CC=C1 1051744 [1,0,1,0,0,0|1,0,1]=4 166 B9R1.6 OB(O)C1=CC=CC=C1 971211 [1,0,1,0,0,0|1,0,0]=3 167 B9R1.8 CCOC1=CC=CC=C1 2826174 [1,0,1,0,0,0|1,0,1]=4 168 B9R1.8 O=C=NC1=CC=CC=C1 1051736 [1,0,1,0,0,0|0,0,2]=4 169 B9R1.8 O=CCC1=CC=CC=C1 1204419 [1,0,1,0,0,0|1,0,1]=4 170 B9R1.8 O=CNC1=CC=CC=C1 2826151 [1,0,1,0,0,0|0,0,2]=4 171 B9R1.8 OCCC1=CC=CC=C1 1204382 [1,0,1,0,0,0|1,0,1]=4 172 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [1,0,1,0,0,0|1,0,1]=4 173 B9R1.12 O=C\C=C\C1=CC=CO1 1901715 [1,0,1,0,0,0|2,0,0]=4 174 B9R1.15 CC1=C(C=O)C=CC=C1 1901705 [1,0,1,0,0,0|1,0,1]=4 175 B9R1.15 CCC1=C(O)C=CC=C1 2826180 [1,0,1,0,0,0|1,0,1]=4 176 B9R1.15 COC1=C(Br)C=CC=C1 1287441 [1,0,1,0,0,0|2,0,0]=4 177 B9R1.15 COC1=C(C)C=CC=C1 2826177 [1,0,1,0,0,0|1,0,1]=4 178 B9R1.15 COC1=C(Cl)C=CC=C1 2827881 [1,0,1,0,0,0|2,0,0]=4 179 B9R1.15 COC1=C(F)C=CC=C1 2826313 [1,0,1,0,0,0|2,0,0]=4 180 B9R1.15 COC1=C(N)C=CC=C1 1314580 [1,0,1,0,0,0|2,0,0]=4 181 B9R1.15 COC1=C(O)C=CC=C1 2826229 [1,0,1,0,0,0|1,0,0]=3 182 B9R1.15 N#CC1=CC=CC=C1O 2129603 [1,0,1,0,0,0|0,0,2]=4 183 B9R1.15 O=CC1=C(Cl)C=CC=C1 1901923 [1,0,1,0,0,0|1,0,1]=4 184 B9R1.15 O=CC1=C(F)C=CC=C1 1901718 [1,0,1,0,0,0|1,0,1]=4 185 B9R1.15 O=CC1=C(O)C=CC=C1 2129572 [1,0,1,0,0,0|0,0,1]=3 186 B9R1.15 O=CC1=CC=CC=C1Br 1904102 [1,0,1,0,0,0|1,0,1]=4 187 B9R1.15 OCC1=C(Cl)C=CC=C1 2048757 [1,0,1,0,0,0|1,0,1]=4 188 B9R1.15 OCC1=CC=CC=C1Br 2049225 [1,0,1,0,0,0|1,0,1]=4 189 B11R1.12 CC\C(=N\O)C1=CC=CC=C1 19767653 [0,1,1,0,0,0|1,0,0]=3 190 B11R1.16 N#C\N=C(/N)C1=CC=CC=C1 5010119 [0,1,1,0,0,0|2,0,0]=4 191 B11R1.22 CC1=CC=C(\C(N)=N\O)C=C1 2829097 [0,1,1,0,0,0|1,0,0]=3 192 B11R1.22 C\C(=N/O)C1=CC=C(F)C=C1 5012413 [0,1,1,0,0,0|1,0,0]=3 193 B11R1.22 N\C(=N\O)C1=CC=C(Br)C=C1 5012363 [0,1,1,0,0,0|1,0,0]=3 194 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 2829713 [0,1,1,0,0,0|1,0,1]=4 195 B11R1.23 N\C(=N/O)C1=CC(O)=CC=C1 2424046 [0,1,1,0,0,0|1,0,0]=3 196 B11R1.23 O=C(OO)C1=CC(Cl)=CC=C1 2845888 [0,1,1,0,0,0|1,0,1]=4 197 B11R1.36 O=C(C1=CC=CC=C1)C(O)O 12405446 [0,1,1,0,0,0|1,0,1]=4 198 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 1779303 [0,1,1,0,0,0|1,0,1]=4 199 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 2829096 [0,1,1,0,0,0|1,0,0]=3 200 B11R1.222 O=C(NO)C1=CC=CC=C1O 7119720021 [0,1,1,0,0,0|0,0,2]=4 201 B11R1.1 NC1=CC=C(OCCO)C=C1 11185964 [0,1,1,0,0,0|1,0,1]=4 202 B11R1.1 NC1=CC=C(OCCO)C=C1 2266781 [0,1,1,0,0,0|1,0,1]=4 203 B11R1.1 OCCOC1=CC=C(F)C=C1 1275765 [0,1,1,0,0,0|1,0,1]=4 204 B11R1.24 NC1=CC=CC(OCCO)=C1 7110952747 [0,1,1,0,0,0|1,0,1]=4 205 B11R1.28 NOCCOC1=CC=CC=C1 1203025 [0,1,1,0,0,0|1,0,1]=4 206 B11R1.91 C=C(C)COC1=CC=CC=C1 5914055 [0,1,1,0,0,0|2,0,0]=4 207 B11R1.91 NC(=O)COC1=CC=CC=C1 1375246 [0,1,1,0,0,0|1,0,1]=4 208 B11R1.91 NC(=S)COC1=CC=CC=C1 7020331590 [0,1,1,0,0,0|1,1,0]=4 209 B11R1.91 O=C(O)CCC1=CC=CC=C1 7020400414 [0,1,1,0,0,0|2,0,0]=4 210 B11R1.91 O=C(O)CNC1=CC=CC=C1 1142601 [0,1,1,0,0,0|2,0,0]=4 211 B11R1.91 O=C(O)COC1=CC=CC=C1 7113231893 [0,1,1,0,0,0|1,0,0]=3 212 B11R1.91 O=C(O)CSC1=CC=CC=C1 7110950354 [0,1,1,0,0,0|1,1,0]=4 213 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [0,1,1,0,0,0|2,0,0]=4 214 B11R1.37 COC1=CC=C(Br)C=C1C=O 7014792376 [0,1,1,0,0,0|1,0,1]=4 215 B11R1.41 COC1=CC=CC=C1CCO 1204389 [0,1,1,0,0,0|1,0,1]=4 216 B11R1.53 COC1=C(C(=O)O)C=CC=C1 1779305 [0,1,1,0,0,0|1,0,0]=3 217 B11R1.53 COC1=C(C(C)=O)C=CC=C1 1505978 [0,1,1,0,0,0|1,0,1]=4 218 B11R1.53 COC1=CC=CC=C1C(=O)Cl 1051716 [0,1,1,0,0,0|1,0,1]=4 219 B11R1.53 COC1=CC=CN=C1C(=O)O 22430297 [0,1,1,0,0,0|2,0,0]=4 220 B11R1.53 NNC1=CC=CC=C1C(=O)O 7020542803 [0,1,1,0,0,0|1,0,1]=4 221 B11R1.53 O=C(O)C1=C(NO)C=CC=C1 11185879 [0,1,1,0,0,0|2,0,0]=4 222 B11R1.53 O=CC1=CC=CC=C1C(=O)O 7018801964 [0,1,1,0,0,0|2,0,0]=4 223 B11R1.53 O=NC1=CC=CC=C1C(=O)O 3355188 [0,1,1,0,0,0|2,0,0]=4 224 B11R1.265 COC1=C(C=O)C(O)=CC=C1 7028975 [0,1,1,0,0,0|1,0,1]=4 225 B11R1.156 CC(=O)C1=C(O)C=CC=C1O 6849562 [0,1,1,0,0,0|1,0,1]=4 226 B11R1.156 O=C(O)C1=C(F)C=CC=C1Cl 1051751 [0,1,1,0,0,0|2,0,0]=4 227 B11R1.159 CC1=C(O)C(C(=O)O)=CC=C1 22430485 [0,1,1,0,0,0|1,0,0]=3 228 B11R1.159 NC1=C(Br)C=CC=C1C(=O)O 2215353 [0,1,1,0,0,0|2,0,0]=4 229 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl 1218749 [0,1,1,0,0,0|2,0,0]=4 230 B11R1.159 NC1=C(F)C=CC=C1C(=O)O 2215103 [0,1,1,0,0,0|2,0,0]=4 231 B11R1.159 NC1=C(N)C(C(=O)O)=CC=C1 3669272 [0,1,1,0,0,0|2,0,0]=4 232 B11R1.159 O=C(O)C1=CC=CC(Br)=C1Cl 3701420 [0,1,1,0,0,0|2,0,0]=4 233 B11R1.159 O=C(O)C1=CC=CC(Br)=C1F 5031684 [0,1,1,0,0,0|2,0,0]=4 234 B11R1.159 O=C(O)C1=CC=CC(F)=C1Br 5827095 [0,1,1,0,0,0|2,0,0]=4 235 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 3674367 [0,1,1,0,0,0|1,0,1]=4 236 B11R1.166 CC(=O)C1=C(O)C=C(F)C=C1 4670824 [0,1,1,0,0,0|1,0,1]=4 237 B11R1.166 CC(=O)C1=CC=C(O)C=C1O 1685131 [0,1,1,0,0,0|1,0,1]=4 238 B11R1.166 CC1=CC(C)=C(C(=O)O)C=C1 1506467 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 2829972 [0,1,1,0,0,0|2,0,0]=4 240 B11R1.166 NC1=CC(Cl)=C(C(=O)O)C=C1 2835821 [0,1,1,0,0,0|2,0,0]=4 241 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 2829520 [0,1,1,0,0,0|1,0,0]=3 242 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 6057319 [0,1,1,0,0,0|1,0,1]=4 243 B11R1.166 O=C(O)C1=C(O)C=C(O)C=C1 2829700 [0,1,1,0,0,0|1,0,0]=3 244 B11R1.166 O=C(O)C1=CC=C(Cl)C=C1Cl 1506213 [0,1,1,0,0,0|2,0,0]=4 245 B11R1.166 O=C(O)C1=CC=C(F)C=C1F 1902327 [0,1,1,0,0,0|2,0,0]=4 246 B11R1.167 CC(=O)C1=C(O)C=CC(C)=C1 7013941401 [0,1,1,0,0,0|1,0,1]=4 247 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 1779363 [0,1,1,0,0,0|1,0,1]=4 248 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 1881372 [0,1,1,0,0,0|1,0,1]=4 249 B11R1.167 CC(=O)C1=CC(Br)=CC=C1O 2192099 [0,1,1,0,0,0|1,0,1]=4 250 B11R1.167 CC(=O)C1=CC(O)=CC=C1O 7119860208 [0,1,1,0,0,0|1,0,1]=4 251 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 7019091163 [0,1,1,0,0,0|2,0,0]=4 252 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=C1 1312863 [0,1,1,0,0,0|2,0,0]=4 253 B11R1.167 CC1=CC=C(N)C(C(=O)O)=C1 7719100016 [0,1,1,0,0,0|2,0,0]=4 254 B11R1.167 NC(=S)C1=CC(Br)=CC=C1O 7020682353 [0,1,1,0,0,0|0,1,1]=4 255 B11R1.167 NC(=S)C1=CC(Cl)=CC=C1O 7020681857 [0,1,1,0,0,0|0,1,1]=4 256 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=C1 1220686 [0,1,1,0,0,0|2,0,0]=4 257 B11R1.167 NC1=C(C(=O)O)C=C(Cl)C=C1 7020040772 [0,1,1,0,0,0|2,0,0]=4 258 B11R1.167 NC1=CC=C(Cl)C(C(=O)O)=C1 2845077 [0,1,1,0,0,0|2,0,0]=4 259 B11R1.167 NC1=CC=C(I)C=C1C(=O)O 1232805 [0,1,1,0,0,0|2,0,0]=4 260 B11R1.167 NC1=CC=C(O)C(C(=O)O)=C1 2829513 [0,1,1,0,0,0|1,0,0]=3 261 B11R1.167 O=C(O)C1=C(F)C=CC(F)=C1 2831007 [0,1,1,0,0,0|2,0,0]=4 262 B11R1.167 O=C(O)C1=C(O)C=CC(Br)=C1 3015489 [0,1,1,0,0,0|1,0,0]=3 263 B11R1.167 O=C(O)C1=C(O)C=CC(Cl)=C1 2845887 [0,1,1,0,0,0|1,0,0]=3 264 B11R1.167 O=C(O)C1=CC(Br)=CC=C1Cl 3064193 [0,1,1,0,0,0|2,0,0]=4 265 B11R1.167 O=C(O)C1=CC(Cl)=CC=C1Cl 1312862 [0,1,1,0,0,0|2,0,0]=4 266 B11R2.10 CC1=CC2=CC=CC=C2N1 7210741752 [1,1,0,0,0,0|2,0,0]=4 267 B11R2.10 CC1=CC2=CC=CC=C2S1 3504244 [1,1,0,0,0,0|1,1,0]=4 268 B11R2.10 O=C1NC2=CC=CC=C2O1 2129121 [1,1,0,0,0,0|2,0,0]=4 269 B11R2.10 S=C1NC2=C(C=CC=C2)O1 2829241 [1,1,0,0,0,0|2,0,0]=4 270 B11R2.36 BrC1=CC2=C(C=C1)NN=C2 2963034 [1,1,0,0,0,0|1,0,0]=3 271 B11R2.36 BrC1=CC=C2C=COC2=C1 5987474 [1,1,0,0,0,0|1,0,0]=3 272 B11R2.36 BrC1=CC=C2NC=CC2=C1 1270760 [1,1,0,0,0,0|2,0,0]=4 273 B11R2.36 CC1=CC2=C(C=C1)C=NN2 5972850 [1,1,0,0,0,0|1,0,0]=3 274 B11R2.36 CC1=CC=C2C=COC2=C1 5662510 [1,1,0,0,0,0|1,0,0]=3 275 B11R2.36 CC1=CC=C2NN=CC2=C1 3488470 [1,1,0,0,0,0|1,0,0]=3 276 B11R2.36 NC1=CC2=C(C=C1)C=NN2 7020700947 [1,1,0,0,0,0|1,0,0]=3 277 B11R2.36 NC1=CC=C2C=CNC2=C1 15386187 [1,1,0,0,0,0|2,0,0]=4 278 B11R2.36 NC1=CC=C2NC=CC2=C1 2204771 [1,1,0,0,0,0|2,0,0]=4 279 B11R2.36 NC1=CC=C2NN=CC2=C1 2630848 [1,1,0,0,0,0|1,0,0]=3 280 B11R2.36 NC1=CC=C2OCOC2=C1 1507627 [1,1,0,0,0,0|2,0,0]=4 281 B11R2.36 OC1=CC=C2OC=NC2=C1 2085770 [1,1,0,0,0,0|2,0,0]=4 282 B11R2.36 OC1=CC=C2OCOC2=C1 1507629 [1,1,0,0,0,0|2,0,0]=4 283 B11R2.106 CC1=C2NN=CC2=CC=C1 5052268 [1,1,0,0,0,0|1,0,0]=3 284 B11R2.106 ClC1=C2C=NNC2=CC=C1 6850312 [1,1,0,0,0,0|1,0,0]=3 285 B11R2.106 ClC1=C2NC=CC2=CC=C1 4061562 [1,1,0,0,0,0|2,0,0]=4 286 B11R2.106 NC1=C2C=CNC2=CC=C1 15386188 [1,1,0,0,0,0|2,0,0]=4 287 B13R2.57 N#CC1=NCC2=CC=CC=C2N1 6056938 [0,1,0,0,0,1|2,0,0]=4 288 B13R2.155 CC1=CC=C2OCC(=O)NC2=C1 1258383 [0,1,0,0,0,1|1,0,1]=4 289 B13R2.155 NC1=CC2=C(C=C1)OCC(=O)N2 7020410398 [0,1,0,0,0,1|1,0,1]=4 290 B13R2.155 O=C1COC2=CC=C(Cl)C=C2N1 0128760740 [0,1,0,0,0,1|1,0,1]=4 291 B13R2.155 O=C1COC2=CC=C(O)C=C2N1 1526731 [0,1,0,0,0,1|1,0,1]=4 292 B13R2.162 NC1=C2NC(=O)COC2=CC=C1 1329496 [0,1,0,0,0,1|1,0,1]=4 293 B13R2.328 CC1=NC(O)=C2C=CC=CC2=N1 7119572490 [0,1,0,0,0,1|2,0,0]=4 294 B13R2.369 CC1OC2=C(C=CC=C2)NC1=O 7020240406 [0,1,0,0,0,1|1,0,1]=4 295 B13R2.3683 NC1=CC=C2NC(=O)COC2=C1 7020710001 [0,1,0,0,0,1|1,0,1]=4 296 B13R2.3683 O=C1COC2=CC(O)=CC=C2N1 1526735 [0,1,0,0,0,1|1,0,1]=4 297 B13R2.3683 OC1=CC2=C(C=C1)C=C(Br)C=C2 1259086 [0,1,0,0,0,1|2,0,0]=4 298 B13R2.5179 NC1=C2OCC(=O)NC2=CC=C1 1112133 [0,1,0,0,0,1|1,0,1]=4 299 B13R2.5179 OC1=CC=C2C(O)=CC=CC2=C1 22430517 [0,1,0,0,0,1|2,0,0]=4 300 B13R2.342 CC1=C2OC=CC(=O)C2=CC=C1 5899706 [0,1,0,0,0,1|1,0,1]=4 301 B13R2.342 NC1=C2C=CC=C(O)C2=CC=C1 2831464 [0,1,0,0,0,1|2,0,0]=4 302 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 1782200 [0,1,0,0,0,1|1,0,1]=4 303 B13R2.342 OC1=CC=CC2=C(O)C=CC=C12 2822755 [0,1,0,0,0,1|2,0,0]=4 304 B13R2.342 OC1CCOC2=C(Cl)C=CC=C21 1298916 [0,1,0,0,0,1|1,0,1]=4 305 B13R2.371 NC1=C2C=CC=CC2=C(N)N=N1 0111070321 [0,1,0,0,0,1|2,0,0]=4 306 B13R2.371 OC1=C2C=CC=CC2=C(O)C=C1 2822756 [0,1,0,0,0,1|2,0,0]=4 307 B13R2.1613 NNC1=NC=NC2=CC=CC=C21 7010010204 [0,1,0,0,0,1|2,0,0]=4 308 B13R2.1613 O\N=C1/CCCC2=CC=CC=C21 1392627 [0,1,0,0,0,1|2,0,0]=4 309 B13R2.4818 CC1=CN=CC2=C1C(Br)=CC=C2 4383043 [0,1,0,0,0,1|2,0,0]=4 310 B13R2.1 N#CCC1=COC2=C1C=CC=C2 3670573 [0,2,0,0,0,0|2,0,0]=4 311 B13R2.1 NCCC1=COC2=CC=CC=C12 1499599 [0,2,0,0,0,0|2,0,0]=4 312 B13R2.1 O\N=C\C1=CNC2=CC=CC=C12 975321 [0,2,0,0,0,0|2,0,0]=4 313 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 3356389 [0,2,0,0,0,0|2,0,0]=4 314 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 1572802 [0,2,0,0,0,0|1,0,0]=3 315 B13R2.5180 CC1=C2OCC(=O)C2=CC=C1O 1089794 [0,2,0,0,0,0|1,0,1]=4 316 B13R2.5180 O=C1COC2=C1C=CC(O)=C2O 1089692 [0,2,0,0,0,0|1,0,1]=4 317 B13R2.11642 CC1=C2C(=O)COC2=CC(O)=C1 1089761 [0,2,0,0,0,0|1,0,1]=4 318 B13R2.2130 NNC1=CC2=C(C=C1)C(N)=NN2 11185976 [0,2,0,0,0,0|2,0,0]=4 319 B11R2.20 C1=CC=C2C=NC=CC2=C1 2826576 [0,0,1,1,0,0|2,0,0]=4 320 B11R2.20 C1=CC=C2OCCOC2=C1 2827086 [0,0,1,1,0,0|1,0,1]=4 321 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 2829216 [0,0,1,0,0,1|1,0,1]=4 322 B11R1.86 CC1=CC=CC=C1NC(=N)N 2125462 [0,0,1,0,0,1|2,0,0]=4 323 B11R1.86 O=C(O)CC1=CC=CC=C1F 7020330565 [0,0,1,0,0,1|2,0,0]=4