0 B7R0.7 CCCC(=O)OCC CUR-0005973 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.7 CCNC(=S)NCC CUR-0101996 [0,0,0,0,0,0|3,1,0]=4 2 B7R0.7 CCOC(=O)C=[N+]=[N-] CUR-0018665 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.7 CCOC(=O)CC#N CUR-0025194 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 CCOC(=O)CCBr CUR-0103086 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCOC(=O)CCCl CUR-0017965 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.7 CCOC(=O)CNN CUR-0022001 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 CCOC(=O)C[N+]#[C-] CUR-0023815 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.7 CCOC(=O)OCC CUR-0003960 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.7 CCOC(C)OCC CUR-0008227 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.7 CCOP(=O)OCC CUR-0027645 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.7 CSCC(CCO)N CUR-0018604 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CC(CSC)NC CUR-0022342 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCC(=O)OCC CUR-0101621 [1,0,0,0,0,0|0,0,0]=1 14 B6R0.1 CCNC(=O)C#C CUR-0067040 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCNC(=O)CCl CUR-0099539 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCOC(=O)C#C CUR-0101411 [1,0,0,0,0,0|0,0,2]=3 17 B6R0.1 CCOC(=O)C#N CUR-0012085 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 CCOC(=O)C=C CUR-0027721 [1,0,0,0,0,0|0,0,2]=3 19 B6R0.1 CCOC(=O)C=O CUR-0101612 [1,0,0,0,0,0|0,1,1]=3 20 B6R0.1 CCOC(=O)CBr CUR-0001682 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.1 CCOC(=O)CCl CUR-0015757 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 CCOC(=O)CF CUR-0101650 [1,0,0,0,0,0|1,0,0]=2 23 B6R0.1 CCOC(=O)CN CUR-0024509 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.1 CCOC(=O)CO CUR-0101638 [1,0,0,0,0,0|0,1,0]=2 25 B6R0.1 CNC(=O)CC#N CUR-0098025 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.1 CNCC(=O)OC CUR-0102132 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.1 COC(=N)CC#N CUR-0101103 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.1 COC(=O)CC#N CUR-0022414 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.1 COC(=O)CCS CUR-0005277 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 COCC(=O)OC CUR-0101636 [1,0,0,0,0,0|0,1,0]=2 31 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.6 CCCCCCC CUR-0101599 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 CCCCNCC CUR-0101609 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCCNCCC CUR-0008343 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.6 CCOCCCN CUR-0101632 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.6 CCO\C=C\C#N CUR-0101565 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 CC\C=C\CCO CUR-0007913 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.1 CCCCC(=O)OCC CUR-0101964 [0,1,0,0,0,0|1,0,0]=2 39 B8R0.1 CCOC(=O)CCCBr CUR-0018304 [0,1,0,0,0,0|1,0,0]=2 40 B8R0.1 CCOC(=O)CCCCl CUR-0009890 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.1 CCOC(=O)\C=C\CBr CUR-0103318 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.1 CCOC(=O)\C=C\CN CUR-0163363 [0,1,0,0,0,0|1,0,1]=3 43 B8R0.3 CCC(C(=O)OCC)Br CUR-0103357 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.3 CCOC(=O)C(=O)CBr CUR-0010421 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.3 CCOC(=O)C(=O)NC CUR-0033950 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.3 CCOC(=O)C(CBr)Br CUR-0103955 [0,1,0,0,0,0|2,0,0]=3 47 B8R0.5 CCOC(=O)C=C(C)C CUR-0057497 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.5 CCOC(=O)CC(=O)C CUR-0003002 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.5 CCOC(=O)CC(=O)O CUR-0100749 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.5 CCOC(=O)CC(=O)[O-] CUR-0102852 [0,1,0,0,0,0|2,0,0]=3 51 B8R0.5 CCOC(=O)CC(C)C CUR-0101017 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.5 CCOC(=O)CC(C)N CUR-0017477 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.5 CCOC(=O)C[N+](=O)[O-] CUR-0102001 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.5 CCOC(=O)C[S+](C)C CUR-0022340 [0,1,0,0,0,0|0,0,1]=2 55 B8R0.5 CCOC(=O)\C=C(/C)\N CUR-0101944 [0,1,0,0,0,0|1,0,1]=3 56 B8R0.5 CCOC(=O)\C=C(\C)/[O-] CUR-0102419 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.30 CCOS(=O)(=O)OCC CUR-0007146 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [0,0,0,1,0,0|2,0,0]=3 61 B8R1.4 CC1CNCC(O1)C CUR-0023957 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.4 C[C@@H]1CNC[C@@H](O1)C CUR-0101741 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.8 CNCC1CCCO1 CUR-0000545 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.11 C1CC(=O)N(C1)CCl CUR-0095842 [0,0,0,1,0,0|3,0,0]=4 65 B8R1.11 CNC1CCNC1=O CUR-0087614 [0,0,0,1,0,0|2,0,0]=3 66 B8R1.11 CSC1CCCC1N CUR-0019849 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.22 C1CC(=O)CCNC1 CUR-0099157 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.22 C1CCC(=O)NCC1 CUR-0022015 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.22 C1CCC(=O)OCC1 CUR-0101418 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.22 C1CCCC(=O)CC1 CUR-0004176 [0,0,0,1,0,0|2,0,0]=3 71 B8R1.22 C1CNCCNC1=O CUR-0003886 [0,0,0,1,0,0|3,0,0]=4 72 B5R0.1 C(C#N)C(=O)O CUR-0011506 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.1 C(CBr)C(=O)O CUR-0102453 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 C(CCl)C(=O)O CUR-0008480 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 C(CN)C(=O)O CUR-0006907 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 C(CS)C(=O)O CUR-0101651 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 CC(=O)COC CUR-0101516 [2,0,0,0,0,0|0,1,0]=3 78 B5R0.1 CC(=O)OC=C CUR-0001318 [2,0,0,0,0,0|0,0,2]=4 79 B5R0.1 CC(CSC)N CUR-0019523 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.1 CCCC(=O)C CUR-0026599 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.1 CCCC(=O)Cl CUR-0020308 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.1 CCCC(=O)O CUR-0020198 [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 CCOC(=O)C CUR-0101519 [2,0,0,0,0,0|0,0,0]=2 84 B5R0.1 CCOC(=O)Cl CUR-0026181 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.1 CCOC(=O)N CUR-0100824 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 CNCC(=O)O CUR-0018005 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 COCC(=O)Cl CUR-0101665 [2,0,0,0,0,0|1,1,0]=4 88 B5R0.1 COCC(=O)O CUR-0014449 [2,0,0,0,0,0|0,1,0]=3 89 B5R0.1 CSCC(=N)N CUR-0100998 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.1 CSCC(=O)O CUR-0025987 [2,0,0,0,0,0|0,0,0]=2 91 B5R0.1 C\C=C\C(=O)O CUR-0100765 [2,0,0,0,0,0|1,0,1]=4 92 B5R0.2 CCCCNC CUR-0101509 [2,0,0,0,0,0|1,0,1]=4 93 B5R0.2 CCOCCBr CUR-0026041 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.2 CCOCCO CUR-0010841 [2,0,0,0,0,0|0,1,1]=4 95 B5R0.2 CCO\C=C\C CUR-0101289 [2,0,0,0,0,0|0,0,1]=3 96 B5R0.2 CC\C=C/CO CUR-0101504 [2,0,0,0,0,0|1,1,0]=4 97 B5R0.2 CNCCOC CUR-0101531 [2,0,0,0,0,0|1,0,1]=4 98 B5R0.2 COCCOC CUR-0026380 [2,0,0,0,0,0|0,1,1]=4 99 B5R0.3 C(C(=O)CCl)Cl CUR-0101901 [2,0,0,0,0,0|2,0,0]=4 100 B5R0.3 CCC(=O)CC CUR-0101500 [2,0,0,0,0,0|0,0,0]=2 101 B5R0.3 CCC(CC)Br CUR-0020873 [2,0,0,0,0,0|1,0,1]=4 102 B5R0.3 CNC(=O)CCl CUR-0099536 [2,0,0,0,0,0|2,0,0]=4 103 B5R0.3 CNC(=O)NC CUR-0101521 [2,0,0,0,0,0|2,0,0]=4 104 B5R0.3 COC(=N)CCl CUR-0101034 [2,0,0,0,0,0|2,0,0]=4 105 B5R0.3 COC(=O)C#C CUR-0008050 [2,0,0,0,0,0|0,0,2]=4 106 B5R0.3 COC(=O)C=C CUR-0018588 [2,0,0,0,0,0|0,0,2]=4 107 B5R0.3 COC(=O)CBr CUR-0102451 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.3 COC(=O)CCl CUR-0019510 [2,0,0,0,0,0|1,0,0]=3 109 B5R0.3 COC(=O)CN CUR-0016914 [2,0,0,0,0,0|1,0,0]=3 110 B5R0.3 COC(=O)CO CUR-0101535 [2,0,0,0,0,0|0,1,0]=3 111 B5R0.3 COC(=O)CS CUR-0014981 [2,0,0,0,0,0|0,0,0]=2 112 B5R0.3 COC(=O)NN CUR-0100906 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.3 COC(=O)OC CUR-0101536 [2,0,0,0,0,0|0,1,0]=3 114 B5R0.3 COP(=O)OC CUR-0016444 [2,0,0,0,0,0|1,1,0]=4 115 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.2 CC(C)OC(=O)CCl CUR-0013704 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.3 CCCNC(=O)CCl CUR-0099537 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.3 CCCOC(=O)CCl CUR-0101322 [1,1,0,0,0,0|1,0,0]=3 119 B7R0.3 CNC(=O)OCCO CUR-0053764 [1,1,0,0,0,0|1,0,0]=3 120 B7R0.3 COC(=O)CCCN CUR-0008398 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.3 COC(=O)\C=C\CBr CUR-0103039 [1,1,0,0,0,0|1,0,1]=4 122 B7R0.3 COCCC(=O)OC CUR-0101774 [1,1,0,0,0,0|0,1,0]=3 123 B7R0.3 CO\C=C\C(=O)OC CUR-0101064 [1,1,0,0,0,0|0,1,1]=4 124 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [1,1,0,0,0,0|0,0,1]=3 125 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [1,1,0,0,0,0|0,1,1]=4 126 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [1,1,0,0,0,0|0,1,1]=4 127 B7R0.5 CCOC(=O)C(=S)N CUR-0029192 [1,1,0,0,0,0|0,0,2]=4 128 B7R0.5 CCOC(=O)C(C)Br CUR-0103087 [1,1,0,0,0,0|0,0,0]=2 129 B7R0.5 CCOC(=O)C(F)F CUR-0007059 [1,1,0,0,0,0|1,0,0]=3 130 B7R0.10 COC(=O)C(=O)OC CUR-0027911 [1,1,0,0,0,0|0,1,1]=4 131 B7R0.10 COC(=O)C(CO)N CUR-0010591 [1,1,0,0,0,0|2,0,0]=4 132 B9R0.4 CC(=O)CC(=O)OCC=C CUR-0102186 [0,2,0,0,0,0|1,0,1]=4 133 B9R0.5 CCCCOC(=O)CCS CUR-0102668 [0,2,0,0,0,0|2,0,0]=4 134 B9R0.5 CCO\C=C\C(=O)OCC CUR-0102229 [0,2,0,0,0,0|0,1,1]=4 135 B9R0.18 C(CC(=O)CCCCl)CCl CUR-0009578 [0,2,0,0,0,0|2,0,0]=4 136 B9R0.34 CCC(=O)CC(=O)OCC CUR-0101401 [0,2,0,0,0,0|1,0,0]=3 137 B9R0.34 CCCC(=O)CC(=O)OC CUR-0101393 [0,2,0,0,0,0|1,1,0]=4 138 B9R0.34 CCOC(=O)CC(=O)CCl CUR-0025786 [0,2,0,0,0,0|1,0,0]=3 139 B9R0.35 CCOC(=O)C(=O)OCC CUR-0007606 [0,2,0,0,0,0|0,1,1]=4 140 B9R0.48 CCOC(=O)CCC(=O)C CUR-0102227 [0,2,0,0,0,0|1,0,0]=3 141 B9R0.48 CCOC(=O)CCC(=O)Cl CUR-0015518 [0,2,0,0,0,0|1,0,1]=4 142 B9R0.6 CCOC(=O)C(C(=O)C)Cl CUR-0102734 [0,2,0,0,0,0|1,0,0]=3 143 B9R0.6 CCOC(=O)C(C)C(=O)C CUR-0101061 [0,2,0,0,0,0|1,0,0]=3 144 B9R0.44 CC(C)(C)OC(=O)CC#N CUR-0013031 [0,2,0,0,0,0|2,0,0]=4 145 B9R0.44 CC(C)(C)OC(=O)NOC CUR-0101186 [0,2,0,0,0,0|1,1,0]=4 146 B9R0.44 CCNC(=O)OC(C)(C)C CUR-0100437 [0,2,0,0,0,0|2,0,0]=4 147 B7R1.1 CCC1=NCCO1 CUR-0101578 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.1 COC1=NCCC1 CUR-0119549 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.1 CSC1=NCCN1 CUR-0098382 [1,0,0,1,0,0|2,0,0]=4 150 B7R1.2 C1C(=O)COC1=O CUR-0100913 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [1,0,0,1,0,0|1,0,1]=4 153 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [1,0,0,1,0,0|0,0,0]=2 155 B7R1.2 CC1COC(=O)O1 CUR-0101613 [1,0,0,1,0,0|0,1,0]=3 156 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.3 C1CCC(=O)CC1 CUR-0013382 [1,0,0,1,0,0|1,0,0]=3 158 B7R1.3 C1CCNC(=O)C1 CUR-0002331 [1,0,0,1,0,0|1,0,0]=3 159 B7R1.3 C1CNC(=N)OC1 CUR-0096514 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 C1CNC(=O)CN1 CUR-0101593 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 C1CNCCC1=O CUR-0009294 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.3 C1CNCCC1=O CUR-0102475 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 C1COCC(=O)N1 CUR-0014967 [1,0,0,1,0,0|1,1,0]=4 164 B7R1.3 C1COCCC1=O CUR-0001478 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.3 C1CSCC(=O)N1 CUR-0095816 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.3 C1CSCCC1=O CUR-0005576 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.4 C1CNC(=O)C1Br CUR-0004832 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.4 C1COC(=O)C1Br CUR-0012154 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.4 C1CSC(=O)C1N CUR-0025625 [1,0,0,1,0,0|1,1,0]=4 170 B7R1.4 CN1CCCC1=O CUR-0101576 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.22 C1CC1C(=O)CBr CUR-0027626 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.22 COC(=O)C1CC1 CUR-0101589 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.7 CCOCC1CO1 CUR-0006249 [1,0,0,1,0,0|0,1,1]=4 174 B7R1.24 C1CNCCOC1 CUR-0101276 [1,0,0,1,0,0|1,0,1]=4 175 B9R1.15 COC1C(=O)CCCO1 CUR-0028339 [0,1,0,1,0,0|1,1,0]=4 176 B9R1.33 C1CC(=O)N(C1)CCBr CUR-0013499 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.50 C1CCCC(=O)CCC1 CUR-0101896 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.100 C1CC1C(=O)NCCN CUR-0007911 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.100 C1CC1C(=O)NCCN CUR-0100619 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.5 C1CCNC(=O)C(C1)Br CUR-0028325 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.5 CN1CCCCCC1=O CUR-0100979 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.132 CNC1CCN(C1=O)C CUR-0015396 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.41 CC(=O)C1CCCC1=O CUR-0009408 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.41 CC(=O)C1CCOC1=O CUR-0101917 [0,1,0,1,0,0|1,0,0]=3 185 B9R2.39 C1C2CNC1C(=O)O2 CUR-0097987 [0,0,0,2,0,0|1,0,0]=3 186 B9R2.87 C1CC1C(=O)C2CC2 CUR-0101683 [0,0,0,2,0,0|2,0,0]=4