0 B8R1.1 CCc1ccc(s1)C CUR-0101897 [0,0,0,0,0,0|1,1,0]=2 1 B8R1.1 CCc1nnc(o1)N CUR-0099277 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.1 Cc1ccc(o1)C=O CUR-0005618 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 Cc1ccc(s1)C=O CUR-0101894 [0,0,0,0,0,0|2,1,0]=3 4 B8R1.1 Cc1csc(n1)CN CUR-0013862 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 Cc1nc(cs1)CBr CUR-0153526 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 Cc1nc(cs1)CCl CUR-0015710 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 Cc1nc(cs1)CCl CUR-0102304 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 Cc1nnc(o1)CCl CUR-0025144 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.1 Cc1nnc(o1)CN CUR-0083371 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.1 Cn1ccc(n1)C=O CUR-0029180 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.1 c1cc(oc1C#N)Br CUR-0011234 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.1 c1cc(oc1C#N)I CUR-0134322 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.1 c1cc(oc1C=O)Br CUR-0102965 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.1 c1cc(sc1C=O)Br CUR-0103280 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.1 c1cc(sc1C=O)Cl CUR-0102289 [0,0,0,0,0,0|3,1,0]=4 16 B8R1.1 c1cc(sc1CCl)Cl CUR-0004445 [0,0,0,0,0,0|3,1,0]=4 17 B7R1.1 CCc1[nH]ccn1 CUR-0101562 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 CCc1cccs1 CUR-0101705 [1,0,0,0,0,0|1,1,0]=3 19 B7R1.1 c1c(ocn1)CN CUR-0161748 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.1 c1cc([nH]c1)C=O CUR-0101556 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.1 c1cc(oc1)C#N CUR-0101548 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 c1cc(oc1)C=O CUR-0027369 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 c1cc(oc1)CN CUR-0006239 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.1 c1cc(oc1)CO CUR-0018391 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.1 c1cc(oc1)CS CUR-0101724 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.1 c1cc(sc1)C#N CUR-0101678 [1,0,0,0,0,0|2,1,0]=4 27 B7R1.1 c1cc(sc1)C=O CUR-0025426 [1,0,0,0,0,0|2,1,0]=4 28 B7R1.1 c1cc(sc1)CN CUR-0000390 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.1 c1cc(sc1)CO CUR-0023830 [1,0,0,0,0,0|2,1,0]=4 30 B7R1.1 c1cnoc1CN CUR-0084598 [1,0,0,0,0,0|3,0,0]=4 31 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [1,0,0,0,0,0|2,1,0]=4 32 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [1,0,0,0,0,0|1,1,0]=3 33 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.2 Cc1cc(on1)C CUR-0101566 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.2 Cc1ccc(o1)C CUR-0101561 [1,0,0,0,0,0|0,0,0]=1 36 B7R1.2 Cc1ccc(s1)C CUR-0012643 [1,0,0,0,0,0|0,1,0]=2 37 B7R1.2 Cc1cnc(s1)N CUR-0101725 [1,0,0,0,0,0|2,1,0]=4 38 B7R1.2 Cc1coc(n1)N CUR-0010957 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.2 Cc1csc(n1)Br CUR-0099044 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.2 Cc1csc(n1)N CUR-0099540 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.2 Cc1csc(n1)S CUR-0101982 [1,0,0,0,0,0|2,0,0]=3 42 B7R1.2 Cc1nnc(s1)S CUR-0099950 [1,0,0,0,0,0|2,1,0]=4 43 B9R1.7 CCCc1[nH]cc(n1)C CUR-0098579 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.7 CSCc1nnc(o1)N CUR-0099278 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.7 Cc1ccc(o1)CNC CUR-0101277 [0,1,0,0,0,0|1,0,0]=2 46 B9R1.7 Cc1csc(n1)CCN CUR-0098677 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.7 Cc1nnc(o1)CNC CUR-0043805 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.21 COC1C=CC(O1)OC CUR-0002732 [0,1,0,0,0,0|0,1,2]=4 49 B9R1.21 c1cc(oc1CN)CO CUR-0013378 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.21 c1cc(oc1CO)C=O CUR-0101881 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.21 c1cc(sc1CBr)C#N CUR-0098371 [0,1,0,0,0,0|2,1,0]=4 52 B9R1.21 c1cc(sc1CN)C#N CUR-0098558 [0,1,0,0,0,0|2,1,0]=4 53 B9R1.23 Cc1c(oc(n1)CCl)C CUR-0001674 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.35 CC(=O)c1ccc(s1)Br CUR-0103517 [0,1,0,0,0,0|2,1,0]=4 55 B9R1.35 CC(=O)c1ccc(s1)Cl CUR-0102625 [0,1,0,0,0,0|2,1,0]=4 56 B9R1.35 Cc1ccc(o1)C(=O)C CUR-0101867 [0,1,0,0,0,0|1,0,0]=2 57 B9R1.35 Cc1ccc(s1)C(=O)O CUR-0102192 [0,1,0,0,0,0|2,1,0]=4 58 B9R1.35 Cc1nnc(o1)C(C)Cl CUR-0003191 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.35 c1cc(oc1C(=O)O)Br CUR-0011302 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.3 CO\C=C\C(=O)OC CUR-0101064 [0,0,1,0,0,0|1,1,1]=4 61 B7R0.4 C\C=C\C=C/C(=O)O CUR-0101700 [0,0,1,0,0,0|2,0,0]=3 62 B7R0.4 C\C=C\C=C\C(=O)O CUR-0100842 [0,0,1,0,0,0|2,0,0]=3 63 B9R1.1 CCc1ccc(cc1)N CUR-0101815 [0,0,0,0,0,1|3,0,0]=4 64 B9R1.1 CCc1ccc(cc1)O CUR-0101831 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.1 CCc1ccc(nc1)C CUR-0101818 [0,0,0,0,0,1|2,0,0]=3 66 B9R1.1 CNc1ccc(cc1)O CUR-0022262 [0,0,0,0,0,1|3,0,0]=4 67 B9R1.1 CNc1ccc(cc1)O CUR-0101222 [0,0,0,0,0,1|3,0,0]=4 68 B9R1.1 COc1ccc(cc1)Cl CUR-0048268 [0,0,0,0,0,1|2,1,0]=4 69 B9R1.1 COc1ccc(cc1)F CUR-0101887 [0,0,0,0,0,1|2,1,0]=4 70 B9R1.1 COc1ccc(cc1)I CUR-0103822 [0,0,0,0,0,1|2,1,0]=4 71 B9R1.1 COc1ccc(cc1)N CUR-0100837 [0,0,0,0,0,1|2,1,0]=4 72 B9R1.1 COc1ccc(cc1)O CUR-0028796 [0,0,0,0,0,1|2,1,0]=4 73 B9R1.1 COc1ccc(cc1)S CUR-0102143 [0,0,0,0,0,1|2,1,0]=4 74 B9R1.1 COc1ccc(cn1)N CUR-0003326 [0,0,0,0,0,1|2,1,0]=4 75 B9R1.1 CSc1ccc(cc1)N CUR-0102131 [0,0,0,0,0,1|2,0,0]=3 76 B9R1.1 Cc1ccc(cc1)C#N CUR-0014965 [0,0,0,0,0,1|3,0,0]=4 77 B9R1.1 Cc1ccc(cc1)C=C CUR-0101785 [0,0,0,0,0,1|2,0,1]=4 78 B9R1.1 Cc1ccc(cc1)C=O CUR-0006736 [0,0,0,0,0,1|3,0,0]=4 79 B9R1.1 Cc1ccc(cc1)CCl CUR-0102151 [0,0,0,0,0,1|3,0,0]=4 80 B9R1.1 Cc1ccc(cc1)CN CUR-0101819 [0,0,0,0,0,1|3,0,0]=4 81 B9R1.1 Cc1ccc(cc1)NN CUR-0013436 [0,0,0,0,0,1|3,0,0]=4 82 B9R1.1 Cc1ccc(cc1)NN CUR-0101391 [0,0,0,0,0,1|3,0,0]=4 83 B9R1.1 Cc1ccc(cc1)NN CUR-0102589 [0,0,0,0,0,1|3,0,0]=4 84 B9R1.1 Cc1ccc(cc1)OC CUR-0101834 [0,0,0,0,0,1|1,1,0]=3 85 B9R1.2 COc1cccc(c1)N CUR-0007825 [0,0,0,0,0,1|2,1,0]=4 86 B9R1.2 COc1cccc(c1)O CUR-0013270 [0,0,0,0,0,1|2,1,0]=4 87 B9R1.2 COc1ccnc(c1)N CUR-0096839 [0,0,0,0,0,1|2,1,0]=4 88 B9R1.2 COc1ccnc(n1)Cl CUR-0029215 [0,0,0,0,0,1|2,1,0]=4 89 B9R1.2 CSc1[nH]c(=O)cnn1 CUR-0096476 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.2 CSc1cccc(c1)N CUR-0102130 [0,0,0,0,0,1|2,0,0]=3 91 B9R1.2 Cc1cccc(c1)C#N CUR-0101768 [0,0,0,0,0,1|3,0,0]=4 92 B9R1.2 Cc1cccc(c1)C=O CUR-0023642 [0,0,0,0,0,1|3,0,0]=4 93 B9R1.2 Cc1cccc(c1)CCl CUR-0102150 [0,0,0,0,0,1|3,0,0]=4 94 B9R1.2 Cc1cccc(c1)NN CUR-0102590 [0,0,0,0,0,1|3,0,0]=4 95 B9R1.2 Cc1cccc(n1)C=O CUR-0101809 [0,0,0,0,0,1|3,0,0]=4 96 B9R1.2 Cc1nccc(n1)CN CUR-0028918 [0,0,0,0,0,1|3,0,0]=4 97 B6R0.1 CCOC(=O)C=C CUR-0027721 [1,0,1,0,0,0|0,1,1]=4 98 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [1,0,1,0,0,0|0,1,1]=4 99 B6R0.9 COC(C=C)OC CUR-0011769 [1,0,1,0,0,0|0,1,1]=4 100 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [2,0,0,0,0,0|2,0,0]=4 101 B6R1.2 Cc1cc[nH]n1 CUR-0101477 [2,0,0,0,0,0|2,0,0]=4 102 B6R1.2 Cc1ccco1 CUR-0026171 [2,0,0,0,0,0|0,0,0]=2 103 B6R1.2 Cc1cccs1 CUR-0101571 [2,0,0,0,0,0|0,1,0]=3 104 B6R1.2 Cc1ccno1 CUR-0100786 [2,0,0,0,0,0|1,0,0]=3 105 B6R1.2 Cc1ccsc1 CUR-0006917 [2,0,0,0,0,0|2,0,0]=4 106 B6R1.2 Cc1cscn1 CUR-0101579 [2,0,0,0,0,0|2,0,0]=4 107 B6R1.2 Cn1cccc1 CUR-0101475 [2,0,0,0,0,0|2,0,0]=4 108 B6R1.2 Cn1cccn1 CUR-0023331 [2,0,0,0,0,0|2,0,0]=4 109 B6R1.2 c1cc(sc1)Br CUR-0102679 [2,0,0,0,0,0|1,1,0]=4 110 B6R1.2 c1cc(sc1)Cl CUR-0013952 [2,0,0,0,0,0|1,1,0]=4 111 B6R1.2 c1cc(sc1)I CUR-0103583 [2,0,0,0,0,0|1,1,0]=4 112 B6R1.2 c1cnc([nH]1)S CUR-0010371 [2,0,0,0,0,0|2,0,0]=4 113 B6R1.2 c1coc(=S)[nH]1 CUR-0096935 [2,0,0,0,0,0|1,0,1]=4 114 B6R1.2 c1coc(n1)N CUR-0003564 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.7 B(c1ccco1)(O)O CUR-0101693 [1,1,0,0,0,0|2,0,0]=4 116 B8R1.7 CC(=O)c1ccc[nH]1 CUR-0101124 [1,1,0,0,0,0|2,0,0]=4 117 B8R1.7 CC(=O)c1ccco1 CUR-0101070 [1,1,0,0,0,0|1,0,0]=3 118 B8R1.7 CC(=O)c1cccs1 CUR-0101065 [1,1,0,0,0,0|1,1,0]=4 119 B8R1.7 C[C@@H](c1cnco1)N CUR-0153543 [1,1,0,0,0,0|2,0,0]=4 120 B8R1.7 c1cc(oc1)C(=N)N CUR-0101053 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.7 c1cc(oc1)C(=O)Cl CUR-0101970 [1,1,0,0,0,0|2,0,0]=4 122 B8R1.7 c1cc(oc1)C(=O)O CUR-0018564 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.8 CNCc1ccco1 CUR-0097176 [1,1,0,0,0,0|1,0,0]=3 124 B8R1.8 c1cc(sc1)CCCl CUR-0025864 [1,1,0,0,0,0|1,1,0]=4 125 B8R1.8 c1cc(sc1)CCN CUR-0024737 [1,1,0,0,0,0|1,1,0]=4 126 B8R1.8 c1cc(sc1)CCO CUR-0101927 [1,1,0,0,0,0|1,1,0]=4 127 B8R1.18 CC1=CC(=O)OC1=O CUR-0008099 [1,1,0,0,0,0|1,1,0]=4 128 B8R1.18 Cc1cc(n(n1)C)N CUR-0099145 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.50 Cc1ccc(n1N)C CUR-0063890 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.3 CNc1ccc(cc1)NC CUR-0101288 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.3 COc1ccc(cc1)CCl CUR-0102548 [0,1,0,0,0,1|1,1,0]=4 132 B10R1.3 COc1ccc(cc1)CN CUR-0102099 [0,1,0,0,0,1|1,1,0]=4 133 B10R1.3 COc1ccc(cc1)CO CUR-0102114 [0,1,0,0,0,1|1,1,0]=4 134 B10R1.3 COc1ccc(cc1)OC CUR-0102112 [0,1,0,0,0,1|1,1,0]=4 135 B10R1.3 COc1ccc(cn1)CN CUR-0022526 [0,1,0,0,0,1|1,1,0]=4 136 B10R1.3 COc1ccc(cn1)CN CUR-0100671 [0,1,0,0,0,1|1,1,0]=4 137 B10R1.3 CSc1ccc(cc1)C=O CUR-0102441 [0,1,0,0,0,1|1,0,1]=4 138 B10R1.13 Cc1ccc(cc1)C(=O)C CUR-0102036 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.13 Cc1ccc(cc1)C(C)C CUR-0017683 [0,1,0,0,0,1|2,0,0]=4 140 B10R1.25 Cc1ccc(c(c1)N)OC CUR-0102102 [0,1,0,0,0,1|1,1,0]=4 141 B10R1.176 Cc1c(=O)[nH]c(nn1)SC CUR-0096477 [0,1,0,0,0,1|2,0,0]=4 142 B10R1.8 Cc1cc(cc(=O)o1)OC CUR-0123125 [0,1,0,0,0,1|1,1,0]=4 143 B10R1.8 Cc1cc(nc(n1)NC)Cl CUR-0074513 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.8 Cc1cc(nc(n1)SC)O CUR-0095498 [0,1,0,0,0,1|1,0,0]=3 145 B10R1.10 CCNc1cccc(c1)C CUR-0102062 [0,1,0,0,0,1|2,0,0]=4 146 B10R1.30 Cc1ccc(c(c1)OC)O CUR-0102107 [0,1,0,0,0,1|1,1,0]=4 147 B10R1.172 COc1cc(ccn1)CN CUR-0018339 [0,1,0,0,0,1|1,1,0]=4 148 B10R1.172 COc1cccc(c1)CCl CUR-0008259 [0,1,0,0,0,1|1,1,0]=4 149 B10R1.172 COc1cccc(c1)CN CUR-0102097 [0,1,0,0,0,1|1,1,0]=4 150 B10R1.172 COc1cccc(c1)OC CUR-0102111 [0,1,0,0,0,1|1,1,0]=4 151 B10R1.172 COc1cccc(n1)CN CUR-0021080 [0,1,0,0,0,1|1,1,0]=4 152 B10R1.172 COc1cccc(n1)OC CUR-0101031 [0,1,0,0,0,1|1,1,0]=4 153 B10R1.172 CSc1cccc(c1)C#C CUR-0042954 [0,1,0,0,0,1|1,0,1]=4 154 B10R1.31 CCc1ccc(o1)C(=O)O CUR-0010824 [0,2,0,0,0,0|1,0,1]=4 155 B10R1.31 CN(C)c1ccc(o1)C=O CUR-0038883 [0,2,0,0,0,0|1,0,1]=4 156 B10R1.58 Cc1c(cc(o1)C(=O)O)Br CUR-0060278 [0,2,0,0,0,0|2,0,0]=4 157 B8R1.2 CSc1ccccc1 CUR-0101870 [0,0,1,1,0,0|1,0,1]=4 158 B8R1.3 Cc1ccc(cc1)C CUR-0100820 [0,0,1,1,0,0|2,0,0]=4 159 B8R1.3 Cc1ccc(cc1)O CUR-0101071 [0,0,1,1,0,0|1,0,1]=4 160 B8R1.3 Cc1ccc(cn1)O CUR-0101672 [0,0,1,1,0,0|2,0,0]=4 161 B8R1.5 Cc1c(cccn1)O CUR-0101673 [0,0,1,1,0,0|2,0,0]=4 162 B8R1.5 Cc1ccccc1O CUR-0027741 [0,0,1,1,0,0|1,0,1]=4 163 B6R0.3 CC(=C)C(=O)OC CUR-0012718 [0,0,1,0,1,0|1,1,0]=4