0 B10R1.18 C=C(Cc1ccccc1)Br DA-32140 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=N)Nc1ccccc1 DA-44930 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 c1c(cncn1)CCO DA-40983 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 c1ccc(cc1)CNN DA-35038 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.20 CC(=O)Nc1ccc(=O)[nH]c1 DA-42482 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.20 CC(=O)Nc1ccc(cn1)Cl DA-42408 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.20 c1cc(ncc1CC(=O)N)Cl DA-27982 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.20 c1cc(ncc1I)CC(=O)O DA-37279 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.36 c1ccnc(c1)C(C(=O)O)Br DA-26910 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.40 c1cc(cnc1)CC(=O)NN DA-27595 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.86 CC(=C)Cc1ccccc1O DA-28587 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.86 CC(=O)Oc1cnccc1I DA-24380 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.86 CC(C)Cc1ccccc1N DA-26081 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.86 Cc1ccccc1NC(=N)C DA-42654 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.157 CC(=O)Cc1cc(ccn1)Cl DA-40659 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.157 CC(=O)Nc1cc(ccn1)Br DA-48278 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.157 CC(C)Cc1cccc(c1)O DA-25332 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.157 CN(C)Cc1cccc(c1)I DA-32026 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.157 CN(C)Cc1cccc(c1)O DA-24518 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.509 CS(=O)(=O)Cc1cccnc1 DA-24509 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.509 CS(=O)(=O)Cc1ccncc1 DA-21765 [0,1,0,0,0,0|2,0,1]=4 21 B11R2.10 c1cc2c(nc1)sc(=O)o2 DA-30242 [0,0,0,1,0,0|2,0,0]=3 22 B11R2.10 c1cncc2c1[nH]c(=O)o2 DA-41700 [0,0,0,1,0,0|2,0,0]=3 23 B11R2.10 c1cncc2c1oc(=O)[nH]2 DA-42001 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.6 C1CC(=CC=C1)C(=O)N DA-30288 [0,0,0,0,1,0|1,0,2]=4 25 B9R1.13 c1c(nn[nH]1)CC(=O)O DA-40211 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.13 c1c[nH]nc1CC(=O)O DA-29345 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.13 c1c[nH]nc1CC(=O)O DA-47554 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 CC(=CCc1ccccc1)C DA-32020 [0,0,0,0,0,1|2,0,0]=3 29 B11R1.91 CC(=O)CCc1ccncc1 DA-22457 [0,0,0,0,0,1|2,0,0]=3 30 B11R1.91 c1c(cncn1)C=CC(=O)O DA-25070 [0,0,0,0,0,1|2,0,1]=4 31 B11R1.91 c1cc(cnc1)OCC(=O)N DA-40394 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.91 c1ccc(cc1)CNC(=O)Cl DA-35039 [0,0,0,0,0,1|1,0,0]=2 33 B11R1.91 c1cnc(cn1)CCC(=O)O DA-41743 [0,0,0,0,0,1|2,0,0]=3 34 B11R1.91 c1cnccc1C#CC(=O)O DA-25115 [0,0,0,0,0,1|1,0,1]=3 35 B10R1.1 C#CCc1ccc(cc1)F DA-29379 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.1 Cc1ccc(nc1)CCO DA-37120 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.1 c1cc(ccc1CCCl)I DA-31416 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.1 c1cc(ncc1Br)NC=O DA-45228 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.4 C=CCc1ccccc1Br DA-29692 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.4 c1cc(c(nc1)Br)CC=O DA-26888 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.4 c1ccc(c(c1)CCCl)F DA-31423 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.10 C=CCc1cccc(c1)Br DA-29840 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.10 C=CCc1cccc(c1)O DA-24348 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.10 CCCc1cccc(c1)Br DA-29653 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.10 Cc1cccc(c1)CCO DA-23326 [1,1,0,0,0,0|0,0,1]=3 46 B10R1.10 Cc1cccc(n1)CCO DA-36020 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.10 c1cc(cc(c1)Cl)CCBr DA-41786 [1,1,0,0,0,0|1,0,1]=4 48 B10R1.10 c1cc(cc(c1)Cl)CCCl DA-29568 [1,1,0,0,0,0|1,0,1]=4 49 B10R1.10 c1cc(cc(c1)Cl)CCO DA-23731 [1,1,0,0,0,0|0,0,1]=3 50 B10R1.10 c1cc(cc(c1)I)CCO DA-23505 [1,1,0,0,0,0|0,0,1]=3 51 B10R1.15 CC(c1ccccc1)ON DA-42022 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.17 C#CCNc1ccccc1 DA-44583 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.17 c1ccc(cc1)C=CCCl DA-32036 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.13 CC(=O)c1ccc(cn1)N DA-30880 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.13 CS(=O)c1ccc(cc1)N DA-22158 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.13 Cc1ccc(cc1)S(=O)C DA-31695 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.61 CC(=O)c1cnccc1Br DA-31034 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.61 CS(=O)c1ccccc1N DA-27649 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.61 Cc1ccccc1C(=C)I DA-31748 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.61 Cc1cccnc1C(=O)Cl DA-23313 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.61 c1c(c(cnn1)O)C(=O)O DA-37308 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.61 c1cc(c(=O)oc1)C(=O)Cl DA-25732 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.61 c1cc(c(=O)oc1)C(=O)O DA-25731 [0,1,0,0,1,0|1,0,0]=3 64 B10R1.113 Cc1cc(ccn1)C(=O)Cl DA-25798 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.113 Cc1ccnc(c1)C(=O)Cl DA-39066 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.113 c1c(cnnc1Cl)C(=O)O DA-36205 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.113 c1cc([nH]c(=O)c1)C(=O)Cl DA-30155 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.113 c1cnc(cc1Br)C(=O)Cl DA-39794 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.113 c1cnc(cc1C(=O)Cl)Br DA-26745 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.113 c1cnc(nc1C(=O)O)Cl DA-44173 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.113 c1coc(cc1=O)C(=O)O DA-39015 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.27 COC(=O)Cc1cc[nH]n1 DA-29344 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.27 c1cc(sc1)CC(=O)NN DA-27570 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.54 c1cc(sc1CC(=O)O)Cl DA-37545 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.54 c1cc(sc1CC(=O)O)I DA-37278 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.64 Cc1c(con1)CC(=O)O DA-23358 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.64 Cc1c(scn1)CC(=O)O DA-28115 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.281 c1cc(sc1)CS(=O)(=O)O DA-25629 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.281 c1cscc1CS(=O)(=O)O DA-23203 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.21 CC(=O)CCc1ccc(cc1)Cl DA-22547 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.21 CC(=O)NCc1ccc(cc1)Br DA-40688 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.21 c1cc(ncc1CCC(=O)O)Br DA-25063 [0,1,0,0,0,1|1,0,0]=3 83 B12R1.21 c1cc(ncc1N)CCC(=O)O DA-38033 [0,1,0,0,0,1|1,0,0]=3 84 B12R1.27 CC(CO)OCc1ccccc1 DA-28973 [0,1,0,0,0,1|1,0,1]=4 85 B12R1.27 COC(=O)C#Cc1ccccc1 DA-32659 [0,1,0,0,0,1|0,0,1]=3 86 B12R1.27 COC(=O)C#Cc1ccccn1 DA-41551 [0,1,0,0,0,1|1,0,1]=4 87 B12R1.27 COC(=O)C#Cc1cccnc1 DA-32865 [0,1,0,0,0,1|1,0,1]=4 88 B12R1.27 COC(=O)CCc1ccnnc1 DA-38976 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.27 COC(=O)CCc1cncnc1 DA-37014 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.27 COC(CCc1ccccc1)Cl DA-32035 [0,1,0,0,0,1|1,0,1]=4 91 B12R1.27 c1ccc(cc1)CCC(CN)O DA-29820 [0,1,0,0,0,1|1,0,1]=4 92 B12R1.43 CC(=O)C(Cc1ccccc1)Br DA-24004 [0,1,0,0,0,1|1,0,0]=3 93 B12R1.43 CN(Cc1ccccn1)C(=O)Cl DA-44544 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.43 c1ccc(cc1)CC(C(=O)O)Br DA-28947 [0,1,0,0,0,1|0,0,0]=2 95 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O DA-25737 [0,1,0,0,0,1|1,0,1]=4 96 B12R1.43 c1cnccc1\C=C(\C(=O)O)/O DA-31830 [0,1,0,0,0,1|1,0,1]=4 97 B12R1.107 CC(c1ccccc1)NC(=S)C DA-41803 [0,1,0,0,0,1|1,1,0]=4 98 B12R1.107 CS(=O)CC(=O)c1ccccc1 DA-27650 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.125 CC(=C)COc1ccccc1Br DA-29705 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.125 CC(=C)COc1ccccc1I DA-29304 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)Cl DA-26398 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.125 c1ccc(c(c1)CCC(=O)Cl)O DA-26114 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.226 CC(=O)CCc1cccc(=O)[nH]1 DA-48305 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.226 CC(=O)NCc1cccc(c1)Br DA-42742 [0,1,0,0,0,1|1,0,0]=3 105 B12R1.226 CC(=O)NCc1cccc(c1)N DA-43479 [0,1,0,0,0,1|1,0,0]=3 106 B12R1.226 c1cc(cc(c1)O)CCC(=O)Cl DA-23552 [0,1,0,0,0,1|1,0,0]=3 107 B12R1.226 c1cc(nc(c1)Br)CCC(=O)O DA-36467 [0,1,0,0,0,1|1,0,0]=3 108 B12R1.226 c1cc(nc(c1)N)CCC(=O)O DA-36603 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.4 B(Cc1ccc(cc1)CO)(O)O DA-31989 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.4 CC(=C)Cc1ccc(cc1)SC DA-31347 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.19 Cc1cc(ccc1Cl)CC(=O)O DA-39637 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.19 Cc1cc(ccc1N)CC(=O)O DA-21426 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)N DA-21355 [0,2,0,0,0,0|0,0,0]=2 114 B12R1.20 CC(c1ccc(cc1)N)C(=O)O DA-28321 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.20 CC(c1ccc(cc1)O)C(=O)O DA-28162 [0,2,0,0,0,0|0,0,0]=2 116 B12R1.20 c1cc(ccc1C(=O)C(=O)O)Br DA-28287 [0,2,0,0,0,0|0,0,1]=3 117 B12R1.49 CNC(=O)Cc1ccc(cc1)N DA-21370 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.49 COC(=O)Nc1ccc(cc1)N DA-32505 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.49 COC(=O)Nc1ccc(cn1)Br DA-32345 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.106 CC(C)(Cc1ccc(cc1)Br)O DA-31056 [0,2,0,0,0,0|1,0,1]=4 121 B12R1.106 CS(=O)(=O)Cc1ccc(cc1)N DA-21767 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.106 c1cc(ccc1CS(=O)(=O)N)N DA-21392 [0,2,0,0,0,0|1,0,1]=4 123 B12R1.233 CC(=O)Nc1ccc(cc1Cl)O DA-21511 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.233 Cc1cc(ccc1CC(=O)O)Br DA-39918 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.233 Cc1cc(ccc1NC(=O)C)F DA-42796 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.233 c1c(c(=O)[nH]c(=S)[nH]1)CC(=O)O DA-30403 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.34 c1ccc(cc1)C(=O)C(=O)CBr DA-24072 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.225 CC(c1cccc(c1)Br)C(=O)O DA-28483 [0,2,0,0,0,0|0,0,0]=2 129 B12R1.225 CC(c1cccc(c1)N)C(=O)O DA-28495 [0,2,0,0,0,0|0,0,0]=2 130 B12R1.225 c1cc(cc(c1)Br)C(C(=O)O)Br DA-26911 [0,2,0,0,0,0|0,0,0]=2 131 B12R1.253 CC(c1ccccn1)(C(=O)O)F DA-47504 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.32 CCOC(=O)Cc1cccnn1 DA-23240 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.32 CCOC(=O)Cc1ccncn1 DA-46815 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.32 CNCC(Cc1ccccc1)O DA-30606 [0,2,0,0,0,0|1,0,1]=4 135 B12R1.50 COC(=O)Cc1cccc(c1)I DA-33226 [0,2,0,0,0,0|0,0,0]=2 136 B12R1.50 COC(=O)Nc1cc(cnc1)Br DA-32344 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.50 COC(=O)Nc1cccc(c1)N DA-32730 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.194 CNS(=O)(=O)Cc1ccccc1 DA-43391 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.371 COC(=O)Nc1ccccc1Cl DA-43303 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.127 Cc1ccc(c(c1)CC(=O)N)Cl DA-32118 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.151 CC(C)(Cc1ccccc1Cl)O DA-31413 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.151 CS(=O)(=O)Cc1ccccc1Br DA-29687 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.224 Cn1c(cccc1=O)CC(=O)O DA-30161 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.224 c1c[nH]c(=O)c(c1CC(=O)O)N DA-24342 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.101 Cc1cc(cc(c1)NC(=O)C)N DA-45705 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.119 CS(=O)(=O)Cc1cccc(c1)N DA-24510 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.438 CC(=C)Cc1cccc(c1)SC DA-31348 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.438 CC(Cc1cccc(c1)OC)O DA-31166 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.438 COc1cccc(n1)CC(=O)O DA-36079 [0,2,0,0,0,0|1,0,0]=3 150 B12R1.438 c1cc(cc(c1)C=O)CC(=O)O DA-23591 [0,2,0,0,0,0|0,0,0]=2 151 B10R2.6 c1cc(cnc1)C2CO2 DA-25327 [1,0,0,1,0,0|1,0,1]=4 152 B10R2.6 c1ccnc(c1)C2CO2 DA-28571 [1,0,0,1,0,0|1,0,1]=4 153 B12R2.22 c1ccc(cc1)N2CC(C2)O DA-29105 [0,0,0,1,0,1|1,0,1]=4 154 B12R2.24 c1ccc2c(c1)CC(=O)CS2 DA-26187 [0,0,0,1,0,1|1,0,0]=3 155 B12R2.24 c1ccc2c(c1)CN=C(N2)N DA-30227 [0,0,0,1,0,1|2,0,0]=4 156 B12R2.606 C1C(=O)N=C2N1C=C(C=C2)Br DA-36401 [0,1,0,1,0,0|2,0,0]=4 157 B12R2.606 CC1Cc2cc(ccc2O1)N DA-27553 [0,1,0,1,0,0|1,0,1]=4 158 B12R2.606 Cc1cc2cc(ccc2o1)Cl DA-37556 [0,1,0,1,0,0|1,0,1]=4 159 B12R2.606 Cc1ccc2c(c1)oc(n2)N DA-36025 [0,1,0,1,0,0|2,0,0]=4 160 B12R2.606 c1c(cnc2c1CC(=O)N2)N DA-38070 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 DA-48500 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.606 c1cc(nc2c1NC(=O)C2)Br DA-37934 [0,1,0,1,0,0|2,0,0]=4 163 B12R2.606 c1cc2c(cc1Cl)oc(n2)Br DA-46671 [0,1,0,1,0,0|2,0,0]=4 164 B12R2.606 c1cc2c(cc1I)oc(=O)[nH]2 DA-36111 [0,1,0,1,0,0|1,0,0]=3 165 B12R2.18 c1ccc2c(c1)C(=O)C(=O)O2 DA-27457 [0,1,0,1,0,0|0,0,1]=3 166 B12R2.202 c1c2c(c(cn1)Cl)[nH]c(=O)o2 DA-35669 [0,1,0,1,0,0|2,0,0]=4 167 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 DA-35630 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.8 C=CCc1cccs1 DA-28564 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.7 C1=CC(=C(Cl)Cl)C=C1 DA-36722 [0,0,0,0,2,0|2,0,0]=4 170 B12R1.252 c1ccc(cc1)C=CCC(=N)N DA-38990 [0,0,0,0,0,2|2,0,0]=4