0 B6R0.2 C(C(=O)N)C(=O)N CUR-0021261 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.2 C(C(=O)N)C(=S)N CUR-0096493 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CC(=O)NC(=S)N CUR-0002878 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(=O)COC CUR-0101516 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CC(=O)OC=C CUR-0001318 [1,0,0,0,0,0|0,0,0]=1 14 B5R0.1 CC(C)CC=O CUR-0101502 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 CCCC(=O)C CUR-0026599 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCCC(=O)O CUR-0020198 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(=O)C CUR-0101519 [1,0,0,0,0,0|0,0,1]=2 19 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CCOC(=O)N CUR-0100824 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CNCC(=O)O CUR-0018005 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 COCC(=O)Cl CUR-0101665 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 COCC(=O)O CUR-0014449 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 CSCC(=O)O CUR-0025987 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,0,0,0,0,0|2,0,0]=3 26 B7R0.2 C(C(=O)NC(=O)N)Cl CUR-0099170 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.2 CC(C)OC(=O)CCl CUR-0013704 [0,1,0,0,0,0|0,0,2]=3 29 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.9 CC(=O)OC(C)(C)C CUR-0001433 [0,1,0,0,0,0|0,0,2]=3 31 B7R0.9 CC(C)(C)OC(=O)N CUR-0100962 [0,1,0,0,0,0|1,0,2]=4 32 B7R0.16 CC(=O)C(C(=O)C)Cl CUR-0004455 [0,1,0,0,0,0|2,0,0]=3 33 B7R0.16 CC(C(=O)C)C(=O)C CUR-0101719 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.2 C1=CC(=O)NC1=O CUR-0011255 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.2 C1=CC(=O)OC1=O CUR-0023802 [0,0,0,1,0,0|1,0,1]=3 36 B7R1.2 C1C(=N)NC(=O)S1 CUR-0096040 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.2 C1C(=O)CNC1=O CUR-0122247 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.2 C1C(=O)COC1=O CUR-0100913 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.2 C1C(=O)NC(=O)N1 CUR-0101582 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.2 C1C(=O)NC(=S)S1 CUR-0102016 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [0,0,0,1,0,0|1,0,0]=2 44 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,0,0,1,0,0|1,0,2]=4 45 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,0,0,1,0,0|0,0,2]=3 46 B7R1.2 CC1COC(=O)O1 CUR-0101613 [0,0,0,1,0,0|1,0,2]=4 47 B7R1.2 Cc1cc(=O)[nH][nH]1 CUR-0101081 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.2 Cc1cc(n[nH]1)C CUR-0012171 [0,0,0,1,0,0|3,0,0]=4 49 B7R1.2 Cc1cc(on1)C CUR-0101566 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.2 Cc1ccc(o1)C CUR-0101561 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.2 Cc1ccc(s1)C CUR-0012643 [0,0,0,1,0,0|1,1,0]=3 52 B7R1.2 Cc1cnc(s1)N CUR-0101725 [0,0,0,1,0,0|2,1,0]=4 53 B7R1.2 Cc1coc(n1)N CUR-0010957 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.2 Cc1csc(n1)Br CUR-0099044 [0,0,0,1,0,0|2,1,0]=4 55 B7R1.2 Cc1csc(n1)N CUR-0099540 [0,0,0,1,0,0|2,1,0]=4 56 B7R1.2 Cc1csc(n1)S CUR-0101982 [0,0,0,1,0,0|2,1,0]=4 57 B5R0.5 C(=O)(C(=O)Cl)Cl CUR-0022479 [0,0,0,0,1,0|3,0,0]=4 58 B5R0.5 C(=O)(C(=O)N)N CUR-0013129 [0,0,0,0,1,0|3,0,0]=4 59 B5R0.5 C(=O)(C(=O)O)O CUR-0022161 [0,0,0,0,1,0|3,0,0]=4 60 B5R0.5 C(=O)(C(=O)O)O CUR-0100644 [0,0,0,0,1,0|3,0,0]=4 61 B5R0.5 CC(=O)C(=O)C CUR-0014415 [0,0,0,0,1,0|1,0,0]=2 62 B5R0.5 CC(=O)C(=O)O CUR-0101513 [0,0,0,0,1,0|2,0,0]=3 63 B5R0.5 CC(=O)N(C)C CUR-0015735 [0,0,0,0,1,0|1,0,1]=3 64 B5R0.5 CC(C(=O)Br)Br CUR-0103656 [0,0,0,0,1,0|2,0,1]=4 65 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [0,0,0,0,1,0|1,0,1]=3 66 B5R0.5 CC(C(=O)C)O CUR-0101517 [0,0,0,0,1,0|1,0,1]=3 67 B5R0.5 CC(C(=O)Cl)Cl CUR-0025103 [0,0,0,0,1,0|2,0,1]=4 68 B5R0.5 CC(C(=O)O)Cl CUR-0027467 [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 CC(C(=O)O)N CUR-0005753 [0,0,0,0,1,0|2,0,1]=4 70 B5R0.5 CC(C(=O)O)O CUR-0100772 [0,0,0,0,1,0|2,0,1]=4 71 B5R0.5 CC(C(=O)O)S CUR-0001712 [0,0,0,0,1,0|2,0,1]=4 72 B5R0.5 CC(C)C(=O)C CUR-0101503 [0,0,0,0,1,0|0,0,2]=3 73 B5R0.5 CC(C)C(=O)Cl CUR-0101654 [0,0,0,0,1,0|1,0,2]=4 74 B5R0.5 CC(C)C(=O)O CUR-0023620 [0,0,0,0,1,0|1,0,2]=4 75 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 C[C@@H](C(=O)N)N CUR-0101872 [0,0,0,0,1,0|2,0,1]=4 77 B5R0.5 C[C@@H](C(=O)O)N CUR-0101526 [0,0,0,0,1,0|2,0,1]=4 78 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,0,0,0,0,1|2,0,0]=3 79 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,0,0,0,0,1|3,0,0]=4 80 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,0,0,0,0,1|3,0,0]=4 81 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [0,0,0,0,0,1|2,0,0]=3 82 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,0,0,0,0,1|1,0,2]=4 83 B4R0.1 C(=O)C(=O)O CUR-0021308 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 C=CC(=O)Cl CUR-0101542 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 C=CC(=O)N CUR-0007166 [2,0,0,0,0,0|1,0,0]=3 86 B4R0.1 C=CC(=O)O CUR-0028045 [2,0,0,0,0,0|1,0,0]=3 87 B4R0.1 CC(=C)C=O CUR-0101443 [2,0,0,0,0,0|0,0,0]=2 88 B4R0.1 CC(=C)CCl CUR-0011941 [2,0,0,0,0,0|1,0,1]=4 89 B4R0.1 CC(=C)OC CUR-0101450 [2,0,0,0,0,0|0,0,0]=2 90 B4R0.1 CC(=O)C=C CUR-0013098 [2,0,0,0,0,0|0,0,0]=2 91 B4R0.1 CC(=O)C=O CUR-0101448 [2,0,0,0,0,0|1,0,0]=3 92 B4R0.1 CC(=O)CCl CUR-0002239 [2,0,0,0,0,0|1,0,1]=4 93 B4R0.1 CC(=O)CO CUR-0005016 [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 CC(C)C=O CUR-0017872 [2,0,0,0,0,0|0,0,2]=4 95 B4R0.1 CCC(=O)Cl CUR-0101547 [2,0,0,0,0,0|1,0,1]=4 96 B4R0.1 CCC(=O)N CUR-0101453 [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 CCC(=O)O CUR-0010221 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 CNC(=O)N CUR-0025342 [2,0,0,0,0,0|2,0,0]=4 99 B4R0.1 COC(=N)N CUR-0101458 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.1 COC(=O)Cl CUR-0019109 [2,0,0,0,0,0|1,0,0]=3 101 B4R0.2 CCCC=O CUR-0100896 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CCOC=C CUR-0100764 [2,0,0,0,0,0|0,0,1]=3 103 B4R0.2 CCOC=O CUR-0010493 [2,0,0,0,0,0|0,0,1]=3 104 B4R0.2 C\C=C\C=O CUR-0001472 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.1 CCC(=O)OCC CUR-0101621 [1,1,0,0,0,0|0,0,1]=3 106 B6R0.1 CCNC(=O)CCl CUR-0099539 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.1 CCOC(=O)C#C CUR-0101411 [1,1,0,0,0,0|0,0,2]=4 108 B6R0.1 CCOC(=O)C#N CUR-0012085 [1,1,0,0,0,0|0,0,2]=4 109 B6R0.1 CCOC(=O)C=C CUR-0027721 [1,1,0,0,0,0|0,0,2]=4 110 B6R0.1 CCOC(=O)C=O CUR-0101612 [1,1,0,0,0,0|0,0,2]=4 111 B6R0.1 CCOC(=O)CBr CUR-0001682 [1,1,0,0,0,0|0,0,1]=3 112 B6R0.1 CCOC(=O)CCl CUR-0015757 [1,1,0,0,0,0|0,0,1]=3 113 B6R0.1 CCOC(=O)CF CUR-0101650 [1,1,0,0,0,0|0,0,1]=3 114 B6R0.1 CCOC(=O)CN CUR-0024509 [1,1,0,0,0,0|0,0,1]=3 115 B6R0.1 CCOC(=O)CO CUR-0101638 [1,1,0,0,0,0|0,0,1]=3 116 B6R0.1 CNCC(=O)OC CUR-0102132 [1,1,0,0,0,0|2,0,0]=4 117 B6R0.1 COCC(=O)OC CUR-0101636 [1,1,0,0,0,0|2,0,0]=4 118 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [1,1,0,0,0,0|1,0,0]=3 119 B6R0.3 CC(=C)C(=O)OC CUR-0012718 [1,1,0,0,0,0|2,0,0]=4 120 B6R0.3 CC(=O)C(=O)OC CUR-0100866 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.4 C=CCCC(=O)O CUR-0101586 [1,1,0,0,0,0|2,0,0]=4 122 B6R0.4 CC(=O)CCCCl CUR-0004280 [1,1,0,0,0,0|1,0,1]=4 123 B6R0.4 CCCCC(=O)C CUR-0101595 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.4 CCOCC(=O)O CUR-0101637 [1,1,0,0,0,0|1,0,1]=4 125 B6R0.7 CC(=O)C(C)(C)C CUR-0101594 [0,1,0,0,1,0|0,0,2]=4 126 B8R0.23 CC(C(=O)C)NC(=O)C CUR-0101122 [0,1,0,0,0,1|2,0,0]=4 127 B8R0.5 CCOC(=O)C=C(C)C CUR-0057497 [0,2,0,0,0,0|1,0,1]=4 128 B8R0.5 CCOC(=O)CC(=O)C CUR-0003002 [0,2,0,0,0,0|2,0,0]=4 129 B8R0.5 CCOC(=O)\C=C(/C)\N CUR-0101944 [0,2,0,0,0,0|2,0,0]=4 130 B8R0.5 CCOC(=O)\C=C(\C)/[O-] CUR-0102419 [0,2,0,0,0,0|2,0,0]=4 131 B8R0.19 C(C(=O)OC(=O)CCl)Cl CUR-0102874 [0,2,0,0,0,0|1,0,0]=3 132 B8R0.19 CCC(=O)CC(=O)OC CUR-0009634 [0,2,0,0,0,0|2,0,0]=4 133 B8R0.19 CCC(=O)OC(=O)CC CUR-0101961 [0,2,0,0,0,0|1,0,0]=3 134 B8R0.19 COC(=O)CC(=O)CCl CUR-0006240 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.19 COC(=O)CC(=O)OC CUR-0100775 [0,2,0,0,0,0|2,0,0]=4 136 B8R0.24 CC(C)(C)OC(=O)CCl CUR-0003566 [0,2,0,0,0,0|0,0,2]=4 137 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [1,0,0,1,0,0|1,0,0]=3 138 B6R1.2 C1CC(=O)NC1 CUR-0017206 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.2 C1CC(=O)OC1 CUR-0101496 [1,0,0,1,0,0|0,0,1]=3 140 B6R1.2 C1CCC(=O)C1 CUR-0027028 [1,0,0,1,0,0|1,0,1]=4 141 B6R1.2 C1COC(=O)N1 CUR-0101507 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.2 C1CSCC1=O CUR-0101623 [1,0,0,1,0,0|2,0,0]=4 143 B6R1.2 Cc1[nH]ccn1 CUR-0003878 [1,0,0,1,0,0|2,0,0]=4 144 B6R1.2 Cc1ccco1 CUR-0026171 [1,0,0,1,0,0|0,0,1]=3 145 B6R1.2 Cc1cccs1 CUR-0101571 [1,0,0,1,0,0|0,1,1]=4 146 B6R1.2 Cc1ccno1 CUR-0100786 [1,0,0,1,0,0|1,0,1]=4 147 B6R1.2 Cc1ccsc1 CUR-0006917 [1,0,0,1,0,0|1,1,0]=4 148 B6R1.2 Cc1cscn1 CUR-0101579 [1,0,0,1,0,0|1,1,0]=4 149 B6R1.2 c1coc(=S)[nH]1 CUR-0096935 [1,0,0,1,0,0|1,1,0]=4 150 B6R1.2 c1coc(n1)N CUR-0003564 [1,0,0,1,0,0|2,0,0]=4 151 B6R1.11 CC(=O)C1CC1 CUR-0020622 [1,0,0,1,0,0|1,0,1]=4 152 B8R1.3 Cc1ccc(=O)[nH]n1 CUR-0021706 [0,0,0,1,0,1|1,0,1]=4 153 B8R1.3 Cc1ccc(cc1)C CUR-0100820 [0,0,0,1,0,1|2,0,0]=4 154 B8R1.3 Cc1cnc(cn1)C CUR-0024462 [0,0,0,1,0,1|2,0,0]=4 155 B8R1.1 CCc1ccc(s1)C CUR-0101897 [0,1,0,1,0,0|1,1,0]=4 156 B8R1.1 Cc1ccc(o1)C=O CUR-0005618 [0,1,0,1,0,0|0,0,1]=3 157 B8R1.1 Cc1ccc(s1)C=O CUR-0101894 [0,1,0,1,0,0|0,1,1]=4 158 B8R1.1 Cc1csc(n1)CN CUR-0013862 [0,1,0,1,0,0|1,1,0]=4 159 B8R1.1 Cc1nc(cs1)CBr CUR-0153526 [0,1,0,1,0,0|1,1,0]=4 160 B8R1.1 Cc1nc(cs1)CCl CUR-0015710 [0,1,0,1,0,0|1,1,0]=4 161 B8R1.1 Cc1nc(cs1)CCl CUR-0102304 [0,1,0,1,0,0|1,1,0]=4 162 B8R1.1 Cc1nnc(o1)CCl CUR-0025144 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.1 Cc1nnc(o1)CN CUR-0083371 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.1 c1cc(oc1C=O)Br CUR-0102965 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.4 C1C(=O)NC(=O)CO1 CUR-0123188 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.4 Cc1cc(cnc1)C CUR-0008137 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.4 Cc1cc[nH]c(=O)c1 CUR-0008898 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.4 Cc1cccc(c1)C CUR-0101652 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.4 Cc1cccc(n1)C CUR-0022045 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.4 Cc1ccnc(n1)C CUR-0100900 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.18 C=C1CC(=O)OC1=O CUR-0101696 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.18 CC1=CC(=O)OC1=O CUR-0008099 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.18 CC1CC(C(=O)O1)Br CUR-0020365 [0,1,0,1,0,0|0,0,2]=4 176 B8R1.18 CN1CC(=O)CC1=O CUR-0055835 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.18 CN1CC(=O)NC1=N CUR-0007004 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.50 C1CC(=O)N(C1=O)Br CUR-0027333 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.50 C1CC(=O)N(C1=O)Cl CUR-0024886 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.50 C1CC(=O)N(C1=O)I CUR-0103727 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.50 C1CC(=O)N(C1=O)O CUR-0010898 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.50 Cc1ccc(n1N)C CUR-0063890 [0,1,0,1,0,0|2,0,0]=4