0 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,0,0,0,0,0|1,1,2]=4 1 B12R2.612 Brc1ccc2c(c1)cnn2C PI-34948 [0,0,0,0,0,0|3,1,0]=4 2 B12R2.612 Brc1ccc2c(c1)onc2Cl PI-39037 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,0,0,0,0,0|2,1,1]=4 4 B12R2.612 C1=CC(=NC2=C1C(=CN2)Br)Cl PI-35902 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,0,0,0,0,0|2,1,1]=4 7 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,0,0,0,0,0|2,0,2]=4 9 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.612 C1C2=C(C=CC(=N2)Cl)C(=O)N1 PI-48341 [0,0,0,0,0,0|2,0,2]=4 11 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,0,0,0,0,0|2,1,1]=4 12 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,0,0,0,0,0|2,1,1]=4 13 B12R2.612 CC1=C2C=CC(=CC2=NN1)N PI-45010 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.612 CN1C2=C(C=C(C=C2)I)C=N1 PI-34951 [0,0,0,0,0,0|3,1,0]=4 15 B12R2.612 CN1C2=C(C=C(C=C2)N)C=N1 PI-34947 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.612 ClC1=NNC2=C1C=CC(Br)=C2 PI-46682 [0,0,0,0,0,0|2,1,0]=3 17 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,0,0,0,0,0|2,0,1]=3 18 B12R2.612 FC1=CC2=C(C=C1)C(Br)=NN2 PI-46756 [0,0,0,0,0,0|2,1,0]=3 19 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,0,0,0,0,0|3,0,1]=4 21 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,0,0,0,0,0|2,0,2]=4 22 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,0,0,0,0,0|2,0,1]=3 23 B12R2.612 OC1=CC2=C(N(C)N=C2)C=C1 PI-46693 [0,0,0,0,0,0|4,0,0]=4 24 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,0,0,0,0,0|3,0,1]=4 25 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [1,0,0,0,0,0|3,0,0]=4 26 B11R2.1 BrC1=NNC2=C1C=CN=C2 PI-46689 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.1 C1=CC2=NN=C(N2C=C1)Br PI-44880 [1,0,0,0,0,0|3,0,0]=4 29 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [1,0,0,0,0,0|2,0,0]=3 31 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [1,0,0,0,0,0|2,1,0]=4 32 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,0,0,0|1,1,0]=3 33 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [1,0,0,0,0,0|1,0,0]=2 34 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [1,0,0,0,0,0|1,1,0]=3 35 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [1,0,0,0,0,0|0,1,2]=4 36 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [1,0,0,0,0,0|1,0,1]=3 38 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [1,0,0,0,0,0|1,0,1]=3 39 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [1,0,0,0,0,0|2,0,1]=4 40 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [1,0,0,0,0,0|2,1,0]=4 41 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,0,0,0|3,0,0]=4 43 B11R2.1 ClC1=NN=C2C=CC=CN21 PI-46802 [1,0,0,0,0,0|3,0,0]=4 44 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [1,0,0,0,0,0|1,0,0]=2 45 B11R2.1 NC1=NSC2=NC=CC=C21 PI-46733 [1,0,0,0,0,0|2,1,0]=4 46 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [1,0,0,0,0,0|1,1,1]=4 47 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [1,0,0,0,0,0|2,0,1]=4 48 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [1,0,0,0,0,0|1,1,1]=4 49 B11R2.1 On1nnc2ccccc12 PI-15275 [1,0,0,0,0,0|2,0,0]=3 50 B11R2.1 On1nnc2ccccc12 PI-15359 [1,0,0,0,0,0|2,0,0]=3 51 B11R2.36 BrC1=CC2=C(C=CS2)C=C1 PI-39747 [1,0,0,0,0,0|1,2,0]=4 52 B11R2.36 Brc1ccc2c(c1)[nH]cc2 PI-10006 [1,0,0,0,0,0|2,1,0]=4 53 B11R2.36 C1=CC(=CC2=C1C=CN2)F PI-10018 [1,0,0,0,0,0|2,1,0]=4 54 B11R2.36 C1=CC(=CC2=C1C=CN2)N PI-16826 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.36 C1=CC2=C(C=C1Br)C=NN2 PI-34641 [1,0,0,0,0,0|2,1,0]=4 56 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 PI-33950 [1,0,0,0,0,0|1,1,0]=3 57 B11R2.36 C1=CC2=C(C=C1Cl)C=NN2 PI-34938 [1,0,0,0,0,0|2,0,0]=3 58 B11R2.36 C1=CC2=C(C=C1Cl)N=CO2 PI-12027 [1,0,0,0,0,0|3,0,0]=4 59 B11R2.36 C1=CC2=C(C=C1Cl)N=CS2 PI-45363 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.36 C1=CC2=C(C=C1Cl)NN=C2 PI-34962 [1,0,0,0,0,0|1,0,0]=2 61 B11R2.36 C1=CC2=C(C=C1F)C=NN2 PI-34939 [1,0,0,0,0,0|2,1,0]=4 62 B11R2.36 C1=CC2=C(C=C1F)NN=C2 PI-34959 [1,0,0,0,0,0|1,1,0]=3 63 B11R2.36 C1=CC2=C(C=C1N)C=NN2 PI-17683 [1,0,0,0,0,0|3,0,0]=4 64 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [1,0,0,0,0,0|3,0,0]=4 65 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [1,0,0,0,0,0|2,0,0]=3 66 B11R2.36 C1=CC2=C(C=CS2)C=C1Cl PI-14313 [1,0,0,0,0,0|3,0,0]=4 67 B11R2.36 C1CNC2=C1C=C(C=C2)Cl PI-11098 [1,0,0,0,0,0|3,0,0]=4 68 B11R2.36 C1OC2=C(O1)C=C(C=C2)Cl PI-30880 [1,0,0,0,0,0|2,0,0]=3 69 B11R2.36 C1OC2=C(O1)C=C(C=C2)N PI-12185 [1,0,0,0,0,0|3,0,0]=4 70 B11R2.36 CC1=CC=C2[NH]N=CC2=C1 PI-41809 [1,0,0,0,0,0|3,0,0]=4 71 B11R2.36 Cc1ccc2c(c1)[nH]cc2 PI-16265 [1,0,0,0,0,0|3,0,0]=4 72 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 PI-20431 [1,0,0,0,0,0|2,0,0]=3 73 B11R2.36 ClC1=CC2=C(NN=C2)C=N1 PI-46697 [1,0,0,0,0,0|3,0,0]=4 74 B11R2.36 ClC1=CC2=NSN=C2C=C1 PI-11637 [1,0,0,0,0,0|3,0,0]=4 75 B11R2.36 ClC1=CC=C2[NH]N=CC2=N1 PI-42635 [1,0,0,0,0,0|3,0,0]=4 76 B11R2.36 Clc1ccc2CCNc2c1 PI-36115 [1,0,0,0,0,0|2,0,1]=4 77 B11R2.36 Clc1ccc2c(c1)cc[nH]2 PI-10008 [1,0,0,0,0,0|3,0,0]=4 78 B11R2.36 Clc1ncc2c(c1)[nH]cc2 PI-36950 [1,0,0,0,0,0|3,0,0]=4 79 B11R2.36 Clc1ncc2c(c1)[nH]nc2 PI-39108 [1,0,0,0,0,0|2,0,0]=3 80 B11R2.36 IC1=CC=C2[NH]N=CC2=C1 PI-34940 [1,0,0,0,0,0|2,1,0]=4 81 B11R2.36 Ic1ccc2c(c1)[nH]nc2 PI-34958 [1,0,0,0,0,0|1,1,0]=3 82 B11R2.36 Nc1ccc2c(c1)[nH]nc2 PI-34961 [1,0,0,0,0,0|2,0,0]=3 83 B11R2.36 Oc1ccc2c(c1)OCO2 PI-15354 [1,0,0,0,0,0|3,0,0]=4 84 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [1,0,0,0,0,0|3,0,0]=4 85 B11R2.36 SC1=CC=C2OCOC2=C1 PI-42647 [1,0,0,0,0,0|3,0,0]=4 86 B13R2.5180 C1C(=O)C2=C(O1)C(=C(C=C2)O)O PI-26814 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O PI-16083 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [0,1,0,0,0,0|2,0,1]=4 89 B13R2.5190 O=C1C(C)CC2=C1C=CC(Cl)=C2 PI-40270 [0,1,0,0,0,0|2,0,1]=4 90 B13R2.11634 CC1=CC2=C(C=C1Cl)C(Cl)=NN2 PI-46696 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.22 BrCC(=O)c1ccc(cc1)Cl PI-12174 [0,0,1,0,0,0|2,0,1]=4 92 B11R1.22 C1=CC(=CC=C1C(=NO)N)Br PI-14454 [0,0,1,0,0,0|1,1,0]=3 93 B11R1.22 C1=CC(=CC=C1C(=NO)N)Cl PI-30654 [0,0,1,0,0,0|1,0,0]=2 94 B11R1.22 C1=CC(=CC=C1C(=NO)N)F PI-23442 [0,0,1,0,0,0|1,1,0]=3 95 B11R1.22 C1=CC(=CC=C1C(=O)C=O)Cl PI-33167 [0,0,1,0,0,0|1,0,2]=4 96 B11R1.22 C1=CC(=CC=C1C(=O)CF)Cl PI-30480 [0,0,1,0,0,0|2,0,1]=4 97 B11R1.22 C1=CC(=CC=C1C(=O)CN)Cl PI-16147 [0,0,1,0,0,0|2,0,1]=4 98 B11R1.22 C1=CC(=CC=C1C(=O)CO)Br PI-30487 [0,0,1,0,0,0|1,1,1]=4 99 B11R1.22 C1=CC(=CC=C1C(=O)CO)Cl PI-30418 [0,0,1,0,0,0|1,0,1]=3 100 B11R1.22 C1=CC(=CC=C1C(=O)CO)F PI-30583 [0,0,1,0,0,0|1,1,1]=4 101 B11R1.22 CC1=CC=C(C=C1)C(=NO)N PI-30254 [0,0,1,0,0,0|2,0,0]=3 102 B11R1.22 COC(=O)c1ccc(Cl)cc1 PI-30070 [0,0,1,0,0,0|2,0,1]=4 103 B11R1.22 NNC(=O)c1ccc(cc1)Cl PI-23138 [0,0,1,0,0,0|1,0,2]=4 104 B11R1.22 O=C(C#N)C1=CC=C(Cl)C=C1 PI-40041 [0,0,1,0,0,0|2,0,1]=4 105 B11R1.24 C1=CC(=CC(=C1)Cl)C#CCO PI-20217 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.24 C1=CC(=CC(=C1)Cl)CN=C=S PI-23617 [0,0,1,0,0,0|1,1,1]=4 107 B11R1.24 C1=CC(=CC(=C1)Cl)\C=C\C=O PI-46546 [0,0,1,0,0,0|2,0,1]=4 108 B11R1.37 COc1cc(F)ccc1C=O PI-38318 [0,0,1,0,0,0|1,1,1]=4 109 B11R1.37 COc1cc(O)ccc1C=O PI-11990 [0,0,1,0,0,0|2,0,1]=4 110 B11R1.166 B(C1=C(C=C(C=C1)Cl)C)(O)O PI-19305 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,0,1,0,0,0|2,1,0]=4 112 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,0,1,0,0,0|2,1,0]=4 113 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,0,1,0,0,0|2,1,0]=4 114 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,0,1,0,0,0|1,1,0]=3 115 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,0,1,0,0,0|1,0,2]=4 116 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,0,1,0,0,0|2,0,1]=4 117 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,0,1,0,0,0|1,0,2]=4 118 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,0,1,0,0,0|1,0,0]=2 119 B11R1.166 C1=CC(=C(C=C1Cl)O)[N+](=O)[O-] PI-37794 [0,0,1,0,0,0|2,0,1]=4 120 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,0,1,0,0,0|2,1,0]=4 121 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,0,1,0,0,0|2,1,0]=4 122 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,0,1,0,0,0|2,1,0]=4 123 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,0,1,0,0,0|3,0,0]=4 124 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,0,1,0,0,0|3,0,0]=4 126 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,0,1,0,0,0|2,1,0]=4 127 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,0,1,0,0,0|1,1,1]=4 128 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,0,1,0,0,0|2,0,1]=4 129 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,0,1,0,0,0|2,0,1]=4 130 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,0,1,0,0,0|1,0,1]=3 131 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,0,1,0,0,0|2,0,1]=4 132 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,0,1,0,0,0|1,1,1]=4 133 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,0,1,0,0,0|2,1,0]=4 134 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,0,1,0,0,0|1,0,2]=4 135 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,0,1,0,0,0|3,0,0]=4 136 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,0,1,0,0,0|3,0,0]=4 137 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,0,1,0,0,0|2,0,0]=3 138 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,0,1,0,0,0|3,0,0]=4 139 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,0,1,0,0,0|3,0,0]=4 140 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,0,1,0,0,0|2,0,1]=4 141 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,0,1,0,0,0|3,0,0]=4 142 B11R1.166 Clc1ccc(B(O)O)c(F)c1 PI-25209 [0,0,1,0,0,0|3,0,0]=4 143 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,0,1,0,0,0|2,0,0]=3 144 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,0,1,0,0,0|2,0,0]=3 145 B11R1.166 Clc1ccc(C(=S)N)c(Cl)c1 PI-30416 [0,0,1,0,0,0|1,1,1]=4 146 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,0,1,0,0,0|2,0,0]=3 147 B11R1.166 Clc1ccc(c(c1)Cl)B(O)O PI-11579 [0,0,1,0,0,0|3,0,0]=4 148 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,0,1,0,0,0|3,0,0]=4 149 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,0,1,0,0,0|2,1,0]=4 150 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,0,1,0,0,0|2,1,0]=4 151 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,0,1,0,0,0|1,1,0]=3 152 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,0,1,0,0,0|2,1,0]=4 153 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,0,1,0,0,0|1,1,1]=4 154 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,0,1,0,0,0|3,0,0]=4 155 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,0,1,0,0,0|2,1,0]=4 156 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,0,1,0,0,0|3,0,0]=4 157 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,0,1,0,0,0|2,0,1]=4 158 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,0,1,0,0,0|3,0,0]=4 159 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,0,1,0,0,0|1,0,2]=4 160 B13R2.3683 Brc1ccc2c(c1)cnc(n2)Cl PI-34844 [0,0,0,0,0,1|2,1,0]=4 161 B13R2.3683 Brc1ccc2c(c1)cnc(n2)N PI-34644 [0,0,0,0,0,1|2,1,0]=4 162 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [0,0,0,0,0,1|2,0,0]=3 163 B13R2.3683 CC1=NC2=C(C=C1)C=C(C=C2)Cl PI-29974 [0,0,0,0,0,1|3,0,0]=4 164 B13R2.3683 Clc1ccc2c(c1)ccc(c2)Cl PI-16536 [0,0,0,0,0,1|3,0,0]=4 165 B13R2.3683 Clc1ccc2c(c1)ncc(n2)Cl PI-11765 [0,0,0,0,0,1|3,0,0]=4 166 B13R2.3683 O=C1COc2c(N1)ccc(c2)F PI-39020 [0,0,0,0,0,1|1,1,1]=4 167 B13R2.3683 Oc1ccc2c(c1)ccc(n2)Cl PI-39000 [0,0,0,0,0,1|3,0,0]=4 168 B13R2.3683 Oc1ccc2c(c1)ccc(n2)O PI-38999 [0,0,0,0,0,1|3,0,0]=4 169 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [0,0,0,0,0,1|2,1,0]=4 170 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [0,0,0,0,0,1|3,0,0]=4 171 B13R2.5179 BrC1=CC=C2C(=C1)OCCC2=O PI-32698 [0,0,0,0,0,1|1,1,1]=4 172 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)N PI-39738 [0,0,0,0,0,1|2,1,0]=4 173 B13R2.5179 BrC1=CC=C2C(=O)C=COC2=C1 PI-41814 [0,0,0,0,0,1|1,1,1]=4 174 B13R2.5179 Brc1ccc2c(Cl)ncnc2c1 PI-36126 [0,0,0,0,0,1|2,1,0]=4 175 B13R2.5179 Brc1ccc2c(c1)cn[nH]c2=O PI-36953 [0,0,0,0,0,1|1,1,1]=4 176 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [0,0,0,0,0,1|3,0,0]=4 177 B13R2.5179 C1C2=C(C=CC(=C2)Br)C(=O)CO1 PI-32719 [0,0,0,0,0,1|1,1,1]=4 178 B13R2.5179 C1CC2=C(C=CC(=C2)Cl)C(=O)C1 PI-32677 [0,0,0,0,0,1|2,0,1]=4 179 B13R2.5179 C1COC2=C(C1=O)C=CC(=C2)F PI-32696 [0,0,0,0,0,1|1,1,1]=4 180 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [0,0,0,0,0,1|3,0,0]=4 181 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [0,0,0,0,0,1|3,0,0]=4 182 B13R2.5179 Clc1ccc2c(c1)OCCC2=O PI-32697 [0,0,0,0,0,1|1,0,1]=3 183 B13R2.5179 Clc1ccc2c(c1)nccc2Cl PI-16432 [0,0,0,0,0,1|3,0,0]=4 184 B13R2.5179 Clc1ccc2c(c1)nccc2O PI-32129 [0,0,0,0,0,1|2,0,0]=3 185 B13R2.5179 Clc1ccc2c(ncnc2Cl)c1 PI-36120 [0,0,0,0,0,1|2,0,0]=3 186 B13R2.5179 Fc1ccc2c(Cl)ncnc2c1 PI-36119 [0,0,0,0,0,1|2,1,0]=4 187 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=N1 PI-46815 [0,0,0,0,0,1|2,1,0]=4 188 B13R2.5179 Nc1ccc2c(O)cccc2c1 PI-18377 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.1 C1=CC(=CC=C1C=NO)Cl PI-27545 [1,0,1,0,0,0|0,0,0]=2 190 B10R1.1 C1=CC(=CC=C1C=NO)F PI-23440 [1,0,1,0,0,0|0,1,0]=3 191 B10R1.1 C1=CC(=CC=C1CCO)Cl PI-46018 [1,0,1,0,0,0|1,0,1]=4 192 B10R1.13 B(C1=CC=C(C=C1)N)(O)O PI-25845 [1,0,1,0,0,0|2,0,0]=4 193 B10R1.13 B(C1=CC=C(C=C1)O)(O)O PI-25808 [1,0,1,0,0,0|2,0,0]=4 194 B10R1.13 B(C1=CC=C(C=C1)S)(O)O PI-33001 [1,0,1,0,0,0|2,0,0]=4 195 B10R1.13 Brc1ccc(cc1)B(O)O PI-25661 [1,0,1,0,0,0|1,1,0]=4 196 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,0,1,0,0,0|0,1,1]=4 197 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,0,1,0,0,0|1,1,0]=4 198 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,0,1,0,0,0|1,0,0]=3 199 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,0,1,0,0,0|1,0,0]=3 200 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,0,1,0,0,0|2,0,0]=4 201 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,0,1,0,0,0|2,0,0]=4 202 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,0,1,0,0,0|0,0,2]=4 203 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,0,1,0,0,0|0,1,1]=4 204 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,0,1,0,0,0|1,0,1]=4 205 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,0,1,0,0,0|1,0,1]=4 206 B10R1.13 CC(c1ccc(cc1)Cl)O PI-11234 [1,0,1,0,0,0|1,0,1]=4 207 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,0,1,0,0,0|2,0,0]=4 208 B10R1.13 C[C@@H](c1ccc(cc1)Cl)O PI-36982 [1,0,1,0,0,0|1,0,1]=4 209 B10R1.13 C[C@H](c1ccc(cc1)Cl)O PI-36954 [1,0,1,0,0,0|1,0,1]=4 210 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,0,1,0,0,0|1,0,1]=4 211 B10R1.13 Clc1ccc(cc1)B(O)O PI-10311 [1,0,1,0,0,0|1,0,0]=3 212 B10R1.13 Clc1ccc(cn1)B(O)O PI-25579 [1,0,1,0,0,0|2,0,0]=4 213 B10R1.13 Fc1ccc(cc1)B(O)O PI-31092 [1,0,1,0,0,0|1,1,0]=4 214 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,0,1,0,0,0|0,1,1]=4 215 B10R1.13 IC1=CC=C(B(O)O)C=C1 PI-33000 [1,0,1,0,0,0|1,1,0]=4 216 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,0,1,0,0,0|1,0,0]=3 217 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,0,1,0,0,0|0,1,1]=4 218 B10R1.13 Nc1ccc(cc1)B(O)O PI-31529 [1,0,1,0,0,0|2,0,0]=4 219 B10R1.13 OB(c1ccc(cc1)C)O PI-35795 [1,0,1,0,0,0|2,0,0]=4 220 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,0,1,0,0,0|2,0,0]=4 221 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [1,0,1,0,0,0|2,0,0]=4 222 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,0,1,0,0,0|0,0,2]=4 223 B10R1.15 C1=CC=C(C=C1)C(CO)O PI-19178 [1,0,1,0,0,0|1,0,1]=4 224 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,0,1,0,0,0|1,0,0]=3 225 B10R1.15 OC(C1=CC=CC=C1)CO PI-39570 [1,0,1,0,0,0|1,0,1]=4 226 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,0,1,0,0,0|1,0,1]=4 227 B10R1.15 OC[C@H](c1ccccc1)O PI-17035 [1,0,1,0,0,0|1,0,1]=4 228 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,0,1,0,0,0|1,0,0]=3 229 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,0,1,0,0,0|1,0,0]=3 230 B10R1.10 C1=CC(=CC(=C1)Br)C=NO PI-27659 [1,0,1,0,0,0|1,1,0]=4 231 B10R1.10 C1=CC(=CC(=C1)Cl)C=NO PI-27977 [1,0,1,0,0,0|1,0,0]=3 232 B10R1.10 OCCc1cccc(c1)Cl PI-38594 [1,0,1,0,0,0|1,0,1]=4 233 B10R1.17 C=CCOc1ccccc1 PI-36466 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [1,0,1,0,0,0|1,0,1]=4 235 B10R1.25 C1=CC(=C(C=C1Cl)F)CO PI-40484 [1,0,1,0,0,0|1,0,1]=4 236 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,0,1,0,0,0|0,1,1]=4 237 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,0,1,0,0,0|1,0,1]=4 238 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,0,1,0,0,0|0,0,1]=3 239 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,0,1,0,0,0|1,0,1]=4 240 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,0,1,0,0,0|1,0,1]=4 241 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [1,0,1,0,0,0|1,0,1]=4 242 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,0,1,0,0,0|1,0,1]=4 243 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,0,1,0,0,0|0,1,1]=4 244 B10R1.25 OCc1ccc(Cl)cc1Cl PI-12129 [1,0,1,0,0,0|1,0,1]=4 245 B10R1.30 BrC1=C(C=C(C=C1)Cl)OC PI-41885 [1,0,1,0,0,0|2,0,0]=4 246 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [1,0,1,0,0,0|1,0,1]=4 247 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [1,0,1,0,0,0|2,0,0]=4 248 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,0,1,0,0,0|2,0,0]=4 249 B10R1.30 CC1=C(C=C(C=C1)Cl)OC PI-10564 [1,0,1,0,0,0|1,0,1]=4 250 B10R1.30 COC1=C(C=CC(=C1)Cl)Cl PI-21000 [1,0,1,0,0,0|2,0,0]=4 251 B10R1.30 COC1=C(C=CC(=C1)Cl)N PI-11332 [1,0,1,0,0,0|2,0,0]=4 252 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,0,1,0,0,0|1,1,0]=4 253 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [1,0,1,0,0,0|2,0,0]=4 254 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [1,0,1,0,0,0|1,1,0]=4 255 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [1,0,1,0,0,0|0,1,1]=4 256 B10R1.61 OB(c1ccccc1O)O PI-37992 [1,0,1,0,0,0|2,0,0]=4 257 B10R1.61 OC(=O)c1ccccc1F PI-16976 [1,0,1,0,0,0|2,0,0]=4 258 B10R1.61 OC(=O)c1cccnc1O PI-16700 [1,0,1,0,0,0|2,0,0]=4 259 B10R1.61 OC(=O)c1ccncc1O PI-28020 [1,0,1,0,0,0|2,0,0]=4 260 B10R1.61 OC(=O)c1ncccc1O PI-16553 [1,0,1,0,0,0|2,0,0]=4 261 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [2,0,0,0,0,0|2,0,0]=4 262 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [2,0,0,0,0,0|2,0,0]=4 263 B10R2.7 C1=CN=CC2=C1C=NN2 PI-50033 [2,0,0,0,0,0|2,0,0]=4 264 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [2,0,0,0,0,0|1,0,1]=4 265 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [2,0,0,0,0,0|2,0,0]=4 266 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [2,0,0,0,0,0|1,0,0]=3 267 B10R2.7 c1ccc2ccsc2c1 PI-14247 [2,0,0,0,0,0|1,1,0]=4 268 B10R2.7 c1ccc2cncn2c1 PI-36857 [2,0,0,0,0,0|2,0,0]=4 269 B12R1.16 C1=CC(=CC=C1C(=O)N=C=S)Cl PI-23161 [0,1,1,0,0,0|0,1,1]=4 270 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl PI-11218 [0,1,1,0,0,0|1,0,1]=4 271 B12R1.367 CC1=C(C=C(C=C1)C(=NO)N)F PI-23734 [0,1,1,0,0,0|2,0,0]=4 272 B12R1.367 O\N=C(/N)\c1ccc(F)c(Br)c1 PI-21435 [0,1,1,0,0,0|1,1,0]=4 273 B12R1.1703 C1=CC(=C(C=C1Cl)O)C(=O)NO PI-30783 [0,1,1,0,0,0|0,0,2]=4 274 B12R1.1703 C1=CC(=C(C=C1O)F)C(=NO)N PI-36321 [0,1,1,0,0,0|2,0,0]=4 275 B12R1.1703 CC(=NO)C1=C(C=C(C=C1)Cl)Cl PI-20999 [0,1,1,0,0,0|1,0,0]=3 276 B12R1.226 C1=CC(=CC(=C1)Cl)C=CC(=O)O PI-11920 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.226 C1=CC(=CC(=C1)Cl)OCC(=O)O PI-50533 [0,1,1,0,0,0|1,0,0]=3 278 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [0,1,1,0,0,0|2,0,0]=4 279 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,1,1,0,0,0|2,0,0]=4 280 B12R1.57 COc1cc(Cl)ccc1B(O)O PI-25827 [0,1,1,0,0,0|2,0,0]=4 281 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,1,1,0,0,0|1,0,0]=3 282 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [0,1,1,0,0,0|2,0,0]=4 287 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O PI-27783 [0,1,1,0,0,0|2,0,0]=4 289 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl PI-31210 [0,1,1,0,0,0|2,0,0]=4 290 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O PI-19639 [0,1,1,0,0,0|2,0,0]=4 291 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O PI-37375 [0,1,1,0,0,0|2,0,0]=4 292 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [1,1,0,0,0,0|1,0,0]=3 293 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [1,1,0,0,0,0|0,0,0]=2 294 B12R2.1 C1CC(=NO)C2=CC=CC=C21 PI-16549 [1,1,0,0,0,0|2,0,0]=4 295 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [1,1,0,0,0,0|1,0,1]=4 296 B12R2.1 OCc1c[nH]c2c1cccc2 PI-16182 [1,1,0,0,0,0|2,0,0]=4 297 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [1,1,0,0,0,0|1,0,1]=4 298 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [1,1,0,0,0,0|2,0,0]=4 299 B12R2.132 ClC1=CC2=C(NN=C2Br)C=C1 PI-46753 [1,1,0,0,0,0|2,0,0]=4 300 B12R2.132 ClC1=NNC2=C1C=C(Br)C=C2 PI-46782 [1,1,0,0,0,0|2,0,0]=4 301 B12R2.132 Clc1ccc2nnn(O)c2c1 PI-17754 [1,1,0,0,0,0|2,0,0]=4 302 B12R2.132 FC1=CC2=C(NN=C2Br)C=C1 PI-46755 [1,1,0,0,0,0|2,0,0]=4 303 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [1,1,0,0,0,0|1,0,1]=4 304 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [1,1,0,0,0,0|1,0,1]=4 305 B12R2.203 C1=CC2=C(C(=C1)Cl)C(=O)NO2 PI-34869 [1,1,0,0,0,0|0,0,2]=4 306 B12R2.203 C1=CC2=C(C(=C1)I)C(=NN2)N PI-45020 [1,1,0,0,0,0|2,0,0]=4 307 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [1,1,0,0,0,0|1,0,1]=4 308 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [1,1,0,0,0,0|2,0,0]=4 309 B12R2.44 C1=CC2=C(C=C1C=O)NN=C2 PI-45198 [1,1,0,0,0,0|2,0,0]=4 310 B12R2.44 C1OC2=C(O1)C=C(C=C2)CCl PI-32417 [1,1,0,0,0,0|2,0,0]=4 311 B12R2.44 N#CC1=CC=C2C=COC2=C1 PI-41459 [1,1,0,0,0,0|2,0,0]=4 312 B12R2.100 Brc1cc2cc[nH]c2cc1Cl PI-36785 [1,1,0,0,0,0|2,0,0]=4 313 B12R2.100 C1=C2C=NNC2=CC(=C1Cl)Br PI-45184 [1,1,0,0,0,0|1,1,0]=4 314 B12R2.100 C1=C2C=NNC2=CC(=C1F)Br PI-45077 [1,1,0,0,0,0|1,1,0]=4 315 B12R2.100 C1=C2C=NNC2=CC(=C1F)Cl PI-45185 [1,1,0,0,0,0|1,0,0]=3 316 B12R2.100 C1=CNC2=CC(=C(C=C21)F)Cl PI-20090 [1,1,0,0,0,0|2,0,0]=4 317 B12R2.246 C1=C(C=C2C(=C1Br)C=NN2)F PI-45207 [1,1,0,0,0,0|1,1,0]=4 318 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)Cl PI-45211 [1,1,0,0,0,0|1,0,0]=3 319 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-44585 [1,1,0,0,0,0|1,1,0]=4 320 B12R2.246 C1=C(C=C2C(=C1F)C=NN2)F PI-45182 [1,1,0,0,0,0|1,1,0]=4 321 B12R2.606 C1=CC2=C(C=C1Cl)OC(=O)N2 PI-12045 [1,1,0,0,0,0|2,0,0]=4 322 B12R2.606 C1=CC2=C(C=C1Cl)OC(=S)N2 PI-12043 [1,1,0,0,0,0|2,0,0]=4 323 B12R2.606 CN1C=C2C=CC(=CC2=N1)Cl PI-34966 [1,1,0,0,0,0|1,0,1]=4 324 B12R2.606 Clc1ccc2nc(Cl)oc2c1 PI-10542 [1,1,0,0,0,0|2,0,0]=4 325 B14R2.8235 C1=CC2=C(C=C1Cl)C(=NC(=N2)Cl)Cl PI-48310 [0,1,0,0,0,1|2,0,0]=4 326 B14R2.8235 Fc1ccc2nc(O)nc(O)c2c1 PI-36227 [0,1,0,0,0,1|1,1,0]=4 327 B14R2.8239 OC1=NC2=CC(Cl)=C(Cl)C=C2N=C1 PI-42650 [0,1,0,0,0,1|2,0,0]=4 328 B14R2.29365 Brc1ccc2c(c1)nc(O)nc2O PI-36147 [0,1,0,0,0,1|1,1,0]=4 329 B14R2.29365 Clc1ccc2c(c1)nc(Cl)nc2Cl PI-36142 [0,1,0,0,0,1|2,0,0]=4 330 B14R2.300 C1=CC2=C(C=C1Br)NN=C2C(=O)O PI-45192 [0,2,0,0,0,0|1,1,0]=4 331 B14R2.300 Clc1ccc2c([nH]cc2C(=O)O)c1 PI-36183 [0,2,0,0,0,0|2,0,0]=4 332 B14R2.300 Clc1ccc2c([nH]nc2C(=O)O)c1 PI-36181 [0,2,0,0,0,0|1,0,0]=3 333 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [0,0,1,1,0,0|2,0,0]=4 334 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,0,1,0|1,0,1]=4 335 B12R1.49 O\N=C(\N)/Cc1ccc(Br)cc1 PI-22267 [0,0,1,0,0,1|1,1,0]=4 336 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,0,1,0,0,1|2,0,0]=4 337 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,0,1,0,0,1|2,0,0]=4