0 B10R1.172 COc1cc(ccn1)CN CUR-0018339 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.172 COc1cccc(c1)C=O CUR-0014351 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.172 COc1cccc(c1)CCl CUR-0008259 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.172 COc1cccc(c1)CN CUR-0102097 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.172 COc1cccc(c1)OC CUR-0102111 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.172 COc1cccc(n1)CN CUR-0021080 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.172 COc1cccc(n1)OC CUR-0101031 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.172 CSc1cccc(c1)C#C CUR-0042954 [0,0,0,0,0,0|1,1,1]=3 8 B10R1.172 c1cc(cc(c1)C#N)C=O CUR-0101972 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.172 c1cc(cc(c1)C#N)CCl CUR-0004921 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.2 COc1cccc(c1)N CUR-0007825 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.2 COc1cccc(c1)O CUR-0013270 [1,0,0,0,0,0|0,0,0]=1 12 B9R1.2 COc1ccnc(c1)N CUR-0096839 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 COc1ccnc(n1)Cl CUR-0029215 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 CSc1cccc(c1)N CUR-0102130 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.2 Cc1cccc(c1)C#N CUR-0101768 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.2 Cc1cccc(c1)C=O CUR-0023642 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 Cc1cccc(c1)CCl CUR-0102150 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.2 Cc1cccc(c1)NN CUR-0102590 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.2 Cc1cccc(n1)C=O CUR-0101809 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.2 c1cc(cc(c1)Br)C=O CUR-0001107 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.2 c1cc(cc(c1)Br)CBr CUR-0103920 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 c1cc(cc(c1)Br)CN CUR-0101379 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 c1cc(cc(c1)Br)NN CUR-0108824 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 c1cc(cc(c1)Cl)C#N CUR-0100956 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 c1cc(cc(c1)Cl)C=O CUR-0022345 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 c1cc(cc(c1)Cl)CBr CUR-0103527 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 c1cc(cc(c1)Cl)CCl CUR-0102628 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.2 c1cc(cc(c1)Cl)NN CUR-0101095 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.2 c1cc(cc(c1)F)C#N CUR-0101808 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 c1cc(cc(c1)F)C=O CUR-0022907 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.2 c1cc(cc(c1)F)CBr CUR-0100972 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.2 c1cc(cc(c1)F)CCl CUR-0009113 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.2 c1cc(cc(c1)N)C#N CUR-0101777 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 c1cc(cc(c1)N)CO CUR-0101851 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.2 c1cc(cc(c1)O)C#N CUR-0100957 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.2 c1cc(cc(c1)O)C=O CUR-0101822 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.2 c1cc(cc(c1)O)CO CUR-0101863 [1,0,0,0,0,0|2,0,0]=3 38 B11R1.9 COc1cc(cc(c1)OC)N CUR-0009372 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.9 COc1cc(cc(c1)OC)O CUR-0102489 [0,1,0,0,0,0|0,0,0]=1 40 B11R1.9 COc1cc(nc(n1)Cl)OC CUR-0102963 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.9 COc1nc(nc(n1)Cl)OC CUR-0004755 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.189 CCOc1cc(ccn1)CN CUR-0098632 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.189 CNCc1cccc(n1)OC CUR-0006768 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.189 COc1cccc(c1)CCN CUR-0102410 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.189 COc1cccc(c1)CNN CUR-0120499 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.189 COc1cccc(c1)N=C=O CUR-0102328 [0,1,0,0,0,0|1,0,1]=3 47 B11R1.266 CC(=O)c1cccc(c1)OC CUR-0026713 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.266 CN(C)c1cccc(c1)N=O CUR-0016595 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.266 COc1cc(ccn1)C(=O)O CUR-0009205 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.266 COc1cccc(c1)C(=O)O CUR-0021267 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.266 COc1ccnc(c1)C(=O)O CUR-0096749 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.266 CSc1cccc(c1)C(=O)O CUR-0075606 [0,1,0,0,0,0|2,1,0]=4 53 B11R1.267 COc1cccc(c1Cl)C=O CUR-0102866 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.267 COc1cccc(c1O)C=O CUR-0102429 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.280 COc1cc(ccc1O)C#N CUR-0102326 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.280 COc1cc(ccc1O)C=O CUR-0004967 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.280 COc1cc(ccc1O)CO CUR-0102490 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.280 COc1ccc(c(c1)C=O)O CUR-0102424 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.280 COc1ccc(c(c1)OC)Br CUR-0103665 [0,1,0,0,0,0|0,0,0]=1 60 B11R1.280 COc1ccc(c(c1)OC)N CUR-0028883 [0,1,0,0,0,0|0,0,0]=1 61 B9R1.14 COc1cscc1OC CUR-0102233 [0,0,0,0,1,0|1,0,0]=2 62 B9R1.21 COC1C=CC(O1)OC CUR-0002732 [0,0,0,0,1,0|1,0,2]=4 63 B8R1.2 C#Cc1ccccc1 CUR-0028923 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.2 C=Cc1ccccc1 CUR-0016228 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.2 CCc1ccccc1 CUR-0101653 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 CNc1ccccc1 CUR-0101656 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 COc1ccccc1 CUR-0026843 [2,0,0,0,0,0|0,0,0]=2 68 B8R1.2 COc1ccncc1 CUR-0101402 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 CSc1ccccc1 CUR-0101870 [2,0,0,0,0,0|0,1,0]=3 70 B8R1.2 c1ccc(cc1)C#N CUR-0014272 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.2 c1ccc(cc1)C=O CUR-0027632 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 c1ccc(cc1)CBr CUR-0024935 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 c1ccc(cc1)CCl CUR-0014141 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.2 c1ccc(cc1)CN CUR-0009810 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.2 c1ccc(cc1)CN CUR-0101294 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.2 c1ccc(cc1)CO CUR-0002024 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.2 c1ccc(cc1)CS CUR-0005953 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 c1ccc(cc1)NN CUR-0008900 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 c1ccc(cc1)NN CUR-0101278 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.4 Cc1cc(cnc1)C CUR-0008137 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.4 Cc1cc(ncn1)O CUR-0099849 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.4 Cc1cc[nH]c(=O)c1 CUR-0008898 [2,0,0,0,0,0|1,0,1]=4 83 B8R1.4 Cc1cccc(c1)Br CUR-0102875 [2,0,0,0,0,0|1,0,0]=3 84 B8R1.4 Cc1cccc(c1)C CUR-0101652 [2,0,0,0,0,0|0,0,0]=2 85 B8R1.4 Cc1cccc(c1)F CUR-0014428 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.4 Cc1cccc(c1)N CUR-0014144 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.4 Cc1cccc(c1)O CUR-0101657 [2,0,0,0,0,0|0,0,0]=2 88 B8R1.4 Cc1cccc(n1)Br CUR-0003302 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.4 Cc1cccc(n1)C CUR-0022045 [2,0,0,0,0,0|1,0,0]=3 90 B8R1.4 Cc1cccc(n1)Cl CUR-0018003 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.4 Cc1cccc(n1)N CUR-0101660 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.4 Cc1ccnc(c1)Cl CUR-0101908 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.4 Cc1ccnc(c1)N CUR-0014373 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.4 Cc1ccnc(n1)C CUR-0100900 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.4 Cc1nccc(n1)O CUR-0009692 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.4 c1c(ncnc1O)O CUR-0002163 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.4 c1cc(cc(c1)Br)N CUR-0022156 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.4 c1cc(cc(c1)Br)O CUR-0102910 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.4 c1cc(cc(c1)Cl)Cl CUR-0102294 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.4 c1cc(cc(c1)Cl)F CUR-0009433 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.4 c1cc(cc(c1)Cl)N CUR-0026020 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.4 c1cc(cc(c1)Cl)O CUR-0101935 [2,0,0,0,0,0|1,0,0]=3 103 B8R1.4 c1cc(cc(c1)F)F CUR-0101717 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.4 c1cc(cc(c1)F)N CUR-0028229 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.4 c1cc(cc(c1)F)O CUR-0101699 [2,0,0,0,0,0|1,0,0]=3 106 B8R1.4 c1cc(cc(c1)N)N CUR-0027756 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.4 c1cc(cc(c1)O)N CUR-0011750 [2,0,0,0,0,0|1,0,0]=3 108 B8R1.4 c1cc(cc(c1)O)O CUR-0006751 [2,0,0,0,0,0|0,0,0]=2 109 B8R1.4 c1cnc(cc1O)N CUR-0064821 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.2 COc1cncc(c1N)Br CUR-0155201 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.2 Cc1cccc(c1C)NN CUR-0029814 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.2 Cc1cccc(c1C)NN CUR-0103274 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.8 Cc1cc(cc(=O)o1)OC CUR-0123125 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.8 Cc1cc(cc(c1)C=O)C CUR-0001836 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.10 CCNc1cccc(c1)C CUR-0102062 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.10 Cc1cccc(c1)CNN CUR-0098840 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.10 Cc1cccc(c1)N=C=O CUR-0102009 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.30 COc1c(ccc(n1)I)O CUR-0133095 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.30 COc1cc(ccc1F)N CUR-0102161 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.30 Cc1ccc(c(c1)CCl)C CUR-0021268 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.30 Cc1ccc(c(c1)NN)C CUR-0013166 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.30 Cc1ccc(c(c1)OC)O CUR-0102107 [1,1,0,0,0,0|0,0,0]=2 123 B10R1.113 B(c1cccc(c1)C)(O)O CUR-0002330 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.113 CC(=O)c1cccc(c1)Br CUR-0103428 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.113 CC(=O)c1cccc(c1)F CUR-0018015 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.113 CC(=O)c1cccc(c1)N CUR-0010147 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.113 CC(c1cccc(c1)F)Br CUR-0010897 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.113 CC(c1cccc(c1)N)O CUR-0075600 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.113 CN(C)c1cccc(c1)O CUR-0019306 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.113 Cc1cccc(c1)C(=O)O CUR-0015235 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] CUR-0102088 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.113 c1cc(cc(c1)O)C(=N)N CUR-0100936 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.113 c1cc(cc(c1)O)C(=O)O CUR-0025257 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] CUR-0003766 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.176 Cc1cc(ccc1Br)OC CUR-0103458 [1,1,0,0,0,0|0,0,0]=2 136 B10R1.176 Cc1cc(ccc1N)OC CUR-0018538 [1,1,0,0,0,0|0,0,0]=2 137 B10R1.176 Cc1ccc(cc1C)NN CUR-0102908 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.176 c1cc(c(cc1C#N)O)O CUR-0102048 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.176 c1cc(c(cc1C=O)O)O CUR-0000191 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.176 c1cc(c(cc1CN)O)O CUR-0097164 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.58 COc1cc(cc(c1)OC)C=O CUR-0102777 [0,2,0,0,0,0|0,0,0]=2 142 B12R1.58 COc1cc(cc(c1)OC)CCl CUR-0030812 [0,2,0,0,0,0|0,0,0]=2 143 B12R1.235 COc1cc(nc(c1N)OC)Br CUR-0155200 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.270 CCOc1cc(ccc1O)C=O CUR-0102785 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.280 CCOc1cccc(c1O)C=O CUR-0102781 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.286 C\C=C\c1ccc(c(c1)OC)O CUR-0101080 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.382 COc1cccc(c1)C#CCN CUR-0163354 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.382 c1cc(cc(c1)OCCBr)C#N CUR-0000453 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.435 COC(=O)c1cccc(c1)CBr CUR-0103790 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.435 COc1cccc(c1)C(=O)NN CUR-0029616 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.438 COc1cccc(c1)CC(=O)O CUR-0023675 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.438 COc1cccc(c1)NC(=N)N CUR-0040677 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.56 CC(=O)c1ccc(c(c1)OC)O CUR-0102780 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] CUR-0007734 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.436 COc1cccc(c1)S(=O)(=O)Cl CUR-0103547 [0,2,0,0,0,0|1,1,0]=4 156 B12R1.440 CC(=O)c1cccc(c1O)OC CUR-0123448 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.453 COc1ccc(c(c1)C(=O)O)Br CUR-0103806 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.453 COc1ccc(c(c1)C(=O)O)F CUR-0023023 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N CUR-0102819 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.1879 COc1cccc(c1OC)C=O CUR-0102774 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.1879 COc1cccc(c1OC)OC CUR-0102822 [0,2,0,0,0,0|0,0,0]=2 162 B12R1.78 COc1ccc(c(c1)C=O)OC CUR-0102773 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.78 COc1ccc(c(c1)OC)C=O CUR-0006753 [0,2,0,0,0,0|0,0,0]=2 164 B12R1.78 COc1ccc(c(c1)OC)CN CUR-0019994 [0,2,0,0,0,0|0,0,0]=2 165 B12R1.78 COc1ccc(cc1OC)C#N CUR-0102691 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.78 COc1ccc(cc1OC)C=O CUR-0102787 [0,2,0,0,0,0|2,0,0]=4 167 B12R1.78 COc1ccc(cc1OC)CO CUR-0102821 [0,2,0,0,0,0|2,0,0]=4 168 B10R2.7 c1c2c(cs1)OCCO2 CUR-0102194 [0,0,0,1,1,0|1,0,0]=3 169 B12R2.44 c1cc2c(cc1C#N)OCO2 CUR-0102295 [0,1,0,1,0,0|2,0,0]=4 170 B12R2.44 c1cc2c(cc1CN)OCO2 CUR-0102396 [0,1,0,1,0,0|2,0,0]=4 171 B12R2.44 c1cc2c(cc1CO)OCO2 CUR-0102427 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.315 COc1cccc2c1CCN2 CUR-0122910 [0,1,0,1,0,0|1,0,0]=3 173 B8R1.1 CCc1ccc(s1)C CUR-0101897 [1,0,0,0,1,0|2,0,0]=4 174 B10R1.3 CNc1ccc(cc1)NC CUR-0101288 [0,0,0,0,1,1|2,0,0]=4 175 B10R1.3 COc1ccc(cc1)C#N CUR-0102006 [0,0,0,0,1,1|2,0,0]=4 176 B10R1.3 COc1ccc(cc1)C=O CUR-0100790 [0,0,0,0,1,1|2,0,0]=4 177 B10R1.3 COc1ccc(cc1)CCl CUR-0102548 [0,0,0,0,1,1|2,0,0]=4 178 B10R1.3 COc1ccc(cc1)CN CUR-0102099 [0,0,0,0,1,1|2,0,0]=4 179 B10R1.3 COc1ccc(cc1)CO CUR-0102114 [0,0,0,0,1,1|2,0,0]=4 180 B10R1.3 COc1ccc(cc1)NN CUR-0025100 [0,0,0,0,1,1|2,0,0]=4 181 B10R1.3 COc1ccc(cc1)OC CUR-0102112 [0,0,0,0,1,1|0,0,0]=2 182 B10R1.3 COc1ccc(cn1)CN CUR-0022526 [0,0,0,0,1,1|2,0,0]=4 183 B10R1.3 COc1ccc(cn1)CN CUR-0100671 [0,0,0,0,1,1|2,0,0]=4