0 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.4 C(CC(=O)O)CN CUR-0010241 [0,0,0,0,0,0|1,0,0]=1 3 B6R0.4 C(CNC(=O)N)N CUR-0013187 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 C=CCCC(=O)O CUR-0101586 [0,0,0,0,0,0|0,0,2]=2 5 B6R0.4 CC(=O)CCCCl CUR-0004280 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(CCC#C)O CUR-0038064 [0,0,0,0,0,0|1,0,3]=4 7 B6R0.4 CCCCC(=O)C CUR-0101595 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.4 CCCCC(=O)Cl CUR-0101805 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.4 CCCCC(=O)O CUR-0101620 [0,0,0,0,0,0|0,0,0]=0 10 B6R0.4 CCOCC(=O)O CUR-0101637 [0,0,0,0,0,0|1,0,0]=1 11 B6R0.4 CN(C)CCCN CUR-0101628 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 CN(C)CCCO CUR-0020324 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 COCCC(=O)O CUR-0012995 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 C(C#N)C(=O)N CUR-0015106 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 C(C#N)C(=O)O CUR-0011506 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 C(CBr)C(=O)O CUR-0102453 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C(CCl)C(=O)O CUR-0008480 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 C(CN)C(=O)O CUR-0006907 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 C(CS)C(=O)O CUR-0101651 [1,0,0,0,0,0|1,0,0]=2 22 B5R0.1 CC(=O)COC CUR-0101516 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(CCO)O CUR-0003759 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 CCCC(=O)C CUR-0026599 [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CCCC(=O)Cl CUR-0020308 [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CCCC(=O)O CUR-0020198 [1,0,0,0,0,0|0,0,0]=1 27 B5R0.1 CCCC(C)O CUR-0023615 [1,0,0,0,0,0|1,0,1]=3 28 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 CCOC(=O)C CUR-0101519 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CCOC(=O)Cl CUR-0026181 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CCOC(=O)N CUR-0100824 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CNCC(=O)O CUR-0018005 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 COCC(=O)Cl CUR-0101665 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 COCC(=O)O CUR-0014449 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CSCC(=N)N CUR-0100998 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 CSCC(=O)O CUR-0025987 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 C\C=C\C(=O)O CUR-0100765 [1,0,0,0,0,0|0,0,2]=3 38 B5R0.2 C#CCCCO CUR-0101486 [1,0,0,0,0,0|0,0,3]=4 39 B5R0.2 C(CC#N)CCl CUR-0000109 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.2 C(CC#N)CO CUR-0020823 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.2 C(CCBr)CBr CUR-0026189 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 C(CCBr)CCl CUR-0000065 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.2 C(CCCl)CO CUR-0025105 [1,0,0,0,0,0|1,0,1]=3 44 B5R0.2 C(CCN)CN CUR-0016745 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 C(CCO)CO CUR-0024794 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 C(CCS)CN CUR-0119579 [1,0,0,0,0,0|1,1,1]=4 47 B5R0.2 C(CCl)N=C=O CUR-0029062 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 C=CCCCN CUR-0089890 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 CCCCC#N CUR-0002776 [1,0,0,0,0,0|1,0,1]=3 50 B5R0.2 CCCCC=O CUR-0020580 [1,0,0,0,0,0|0,0,0]=1 51 B5R0.2 CCCCCBr CUR-0020920 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.2 CCCCCI CUR-0007389 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 CCCCCN CUR-0101510 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.2 CCCCCO CUR-0018736 [1,0,0,0,0,0|0,0,1]=2 55 B5R0.2 CCCCNC CUR-0101509 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 CCCN=C=O CUR-0101493 [1,0,0,0,0,0|1,0,1]=3 57 B5R0.2 CCNCCCl CUR-0137711 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 CCNCCO CUR-0101534 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.2 CCOCCBr CUR-0026041 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 CCOCCO CUR-0010841 [1,0,0,0,0,0|1,0,1]=3 61 B5R0.2 CCO\C=C\C CUR-0101289 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.2 CC\C=C/CO CUR-0101504 [1,0,0,0,0,0|0,0,3]=4 63 B5R0.2 CNCCC#C CUR-0041404 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 CNCCC#N CUR-0024199 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 CNCCCN CUR-0101524 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 CNCCNC CUR-0001888 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.2 CNCCOC CUR-0101531 [1,0,0,0,0,0|3,0,0]=4 68 B5R0.2 COCCC#N CUR-0101494 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 COCCCN CUR-0101530 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 COCCNN CUR-0018740 [1,0,0,0,0,0|3,0,0]=4 71 B5R0.2 COCCOC CUR-0026380 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.2 CC(=O)CC(=O)OC CUR-0018522 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,1,0,0,0,0|0,0,0]=1 74 B7R0.3 CCCNC(=O)CCl CUR-0099537 [0,1,0,0,0,0|2,0,0]=3 75 B7R0.3 CCCOC(=O)CCl CUR-0101322 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.3 CCOCC(CN)O CUR-0096148 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 CNC(=O)OCCO CUR-0053764 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.3 COC(=O)CCCN CUR-0008398 [0,1,0,0,0,0|1,0,0]=2 79 B7R0.3 COC(=O)\C=C\CBr CUR-0103039 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.3 COCCC(=O)OC CUR-0101774 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.3 CO\C=C\C(=O)OC CUR-0101064 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.4 C#CCNCC(=O)O CUR-0123529 [0,1,0,0,0,0|0,0,2]=3 83 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [0,1,0,0,0,0|0,0,0]=1 84 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [0,1,0,0,0,0|0,0,0]=1 85 B7R0.4 C(CN=[N+]=[N-])C(=O)O CUR-0027706 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.4 C=CCOCC(=O)O CUR-0014777 [0,1,0,0,0,0|0,0,2]=3 87 B7R0.4 CCCCNC(=O)N CUR-0101762 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.4 CCCCOC(=O)C CUR-0026180 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.4 C\C=C\C=C/C(=O)O CUR-0101700 [0,1,0,0,0,0|0,0,3]=4 90 B7R0.4 C\C=C\C=C\C(=O)O CUR-0100842 [0,1,0,0,0,0|0,0,3]=4 91 B7R0.5 C(CO)C(C(=O)O)N CUR-0009208 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [0,1,0,0,0,0|0,0,0]=1 93 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.5 CCOC(=O)C(=O)C CUR-0021376 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.5 CCOC(=O)C(=O)Cl CUR-0102081 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 CCOC(=O)C(=O)N CUR-0013418 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,1,0,0,0,0|1,0,1]=3 99 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,1,0,0,0,0|0,0,1]=2 100 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,1,0,0,0,0|1,0,1]=3 101 B7R0.6 CC(=O)OCC(=O)Cl CUR-0102082 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.8 C(COS(=O)(=O)O)N CUR-0102160 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.8 C(CS(=O)(=O)Cl)CCl CUR-0013047 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.8 CCCCS(=O)(=O)Cl CUR-0102553 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.8 CS(=O)(=O)CCCBr CUR-0028536 [0,1,0,0,0,0|2,0,1]=4 107 B7R1.2 C1C(CNC1=O)N CUR-0087034 [0,0,0,1,0,0|3,0,0]=4 108 B7R1.2 C1CC(=O)CC1=O CUR-0010695 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.2 C1CC(=O)NC1=O CUR-0005450 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.2 C1CC(=O)OC1=O CUR-0017714 [0,0,0,1,0,0|1,0,1]=3 111 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,0,0,1,0,0|1,0,0]=2 112 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,0,0,1,0,0|0,0,0]=1 113 B7R1.2 CC1COC(=O)O1 CUR-0101613 [0,0,0,1,0,0|1,0,0]=2 114 B7R1.3 C1CC(CNC1)O CUR-0101604 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.3 C1CC=CC(=O)C1 CUR-0002304 [0,0,0,1,0,0|1,0,1]=3 116 B7R1.3 C1CCC(=O)CC1 CUR-0013382 [0,0,0,1,0,0|1,0,0]=2 117 B7R1.3 C1CCC(CC1)Br CUR-0027491 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.3 C1CCC(CC1)N CUR-0004167 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.3 C1CCC(CC1)O CUR-0020069 [0,0,0,1,0,0|1,0,1]=3 120 B7R1.3 C1CCNC(=O)C1 CUR-0002331 [0,0,0,1,0,0|1,0,0]=2 121 B7R1.3 C1CNC(=N)NC1 CUR-0096512 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.3 C1CNC(=N)OC1 CUR-0096514 [0,0,0,1,0,0|2,0,0]=3 123 B7R1.3 C1CNC(=O)CN1 CUR-0101593 [0,0,0,1,0,0|2,0,0]=3 124 B7R1.3 C1CNC(=S)NC1 CUR-0101763 [0,0,0,1,0,0|2,1,0]=4 125 B7R1.3 C1CNCCC1=O CUR-0009294 [0,0,0,1,0,0|2,0,0]=3 126 B7R1.3 C1CNCCC1=O CUR-0102475 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.3 C1CNCCC1O CUR-0021573 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.3 C1COCC(=O)N1 CUR-0014967 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.3 C1COCCC1=O CUR-0001478 [0,0,0,1,0,0|2,0,0]=3 130 B7R1.3 C1COCCC1O CUR-0101618 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 C1CSCC(=O)N1 CUR-0095816 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.3 C1CSCCC1=O CUR-0005576 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.3 CC1CCCCN1 CUR-0101581 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.7 CCOCC1CO1 CUR-0006249 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,0,0,1,0,0|0,0,0]=1 136 B7R1.14 C1CCS(=O)(=O)C1 CUR-0001027 [0,0,0,1,0,0|1,0,1]=3 137 B7R1.14 C1COS(=O)(=O)C1 CUR-0101825 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.18 C1C(CN1)C(=O)O CUR-0009104 [0,0,0,1,0,0|1,0,0]=2 139 B7R1.18 C1CC(C1)C(=O)Cl CUR-0016394 [0,0,0,1,0,0|1,0,0]=2 140 B7R1.18 C1CC(C1)C(=O)O CUR-0009068 [0,0,0,1,0,0|0,0,0]=1 141 B7R1.18 C1CNC1C(=O)O CUR-0081896 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.20 C1CC1CC(=O)O CUR-0101588 [0,0,0,1,0,0|0,0,0]=1 143 B4R0.1 C#CC(=O)O CUR-0101441 [2,0,0,0,0,0|0,0,2]=4 144 B4R0.1 C(=O)C(=O)O CUR-0021308 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.1 C(C(=O)Br)Br CUR-0006369 [2,0,0,0,0,0|2,0,0]=4 146 B4R0.1 C(C(=O)Cl)Cl CUR-0004550 [2,0,0,0,0,0|2,0,0]=4 147 B4R0.1 C(C(=O)N)Br CUR-0014813 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 C(C(=O)N)Cl CUR-0007516 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 C(C(=O)N)N CUR-0101687 [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 C(C(=O)N)O CUR-0113957 [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 C(C(=O)O)Br CUR-0100788 [2,0,0,0,0,0|1,0,0]=3 152 B4R0.1 C(C(=O)O)Cl CUR-0003311 [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 C(C(=O)O)I CUR-0003176 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 C(C(=O)O)N CUR-0014574 [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 C(C(=O)O)N CUR-0101231 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 C(C(=O)O)O CUR-0014667 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 C(C(=O)O)S CUR-0101545 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.1 C=CC(=O)O CUR-0028045 [2,0,0,0,0,0|0,0,2]=4 159 B4R0.1 CC(=O)CCl CUR-0002239 [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 CC(=O)CO CUR-0005016 [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 CCC(=O)Cl CUR-0101547 [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 CCC(=O)N CUR-0101453 [2,0,0,0,0,0|1,0,0]=3 163 B4R0.1 CCC(=O)O CUR-0010221 [2,0,0,0,0,0|0,0,0]=2 164 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 CNC(=O)N CUR-0025342 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 COC(=O)Cl CUR-0019109 [2,0,0,0,0,0|2,0,0]=4 167 B4R0.2 C#CCCO CUR-0101442 [2,0,0,0,0,0|0,0,2]=4 168 B4R0.2 C(CBr)CBr CUR-0016721 [2,0,0,0,0,0|2,0,0]=4 169 B4R0.2 C(CCl)CBr CUR-0004377 [2,0,0,0,0,0|2,0,0]=4 170 B4R0.2 C(CN)CBr CUR-0103678 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.2 C(CN)CCl CUR-0101958 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.2 C(CN)CN CUR-0101462 [2,0,0,0,0,0|2,0,0]=4 173 B4R0.2 C(CN)CO CUR-0005687 [2,0,0,0,0,0|1,0,0]=3 174 B4R0.2 C(CO)C#N CUR-0000520 [2,0,0,0,0,0|1,0,1]=4 175 B4R0.2 C(CO)CCl CUR-0004180 [2,0,0,0,0,0|1,0,0]=3 176 B4R0.2 C(CO)CO CUR-0007262 [2,0,0,0,0,0|1,0,0]=3 177 B4R0.2 C(CO)NN CUR-0100819 [2,0,0,0,0,0|2,0,0]=4 178 B4R0.2 C(CS)CS CUR-0006323 [2,0,0,0,0,0|1,1,0]=4 179 B4R0.2 C=CCCBr CUR-0002027 [2,0,0,0,0,0|1,0,1]=4 180 B4R0.2 C=CCCI CUR-0000685 [2,0,0,0,0,0|1,0,1]=4 181 B4R0.2 C=CCCO CUR-0101449 [2,0,0,0,0,0|0,0,2]=4 182 B4R0.2 CCCC#N CUR-0101440 [2,0,0,0,0,0|1,0,1]=4 183 B4R0.2 CCCC=O CUR-0100896 [2,0,0,0,0,0|0,0,0]=2 184 B4R0.2 CCCCBr CUR-0023794 [2,0,0,0,0,0|1,0,0]=3 185 B4R0.2 CCCCCl CUR-0023945 [2,0,0,0,0,0|1,0,0]=3 186 B4R0.2 CCCCI CUR-0001021 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.2 CCCCN CUR-0017800 [2,0,0,0,0,0|1,0,0]=3 188 B4R0.2 CCCCN CUR-0101317 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.2 CCCCO CUR-0016718 [2,0,0,0,0,0|0,0,0]=2 190 B4R0.2 CCCNN CUR-0022831 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.2 CCN=C=O CUR-0101447 [2,0,0,0,0,0|1,0,1]=4 192 B4R0.2 CCNCC CUR-0022731 [2,0,0,0,0,0|1,0,1]=4 193 B4R0.2 CCNCC CUR-0101285 [2,0,0,0,0,0|1,0,1]=4 194 B4R0.2 CCOC=C CUR-0100764 [2,0,0,0,0,0|1,0,1]=4 195 B4R0.2 CCOC=O CUR-0010493 [2,0,0,0,0,0|1,0,0]=3 196 B4R0.2 CNCCI CUR-0017490 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.2 CNCCO CUR-0011813 [2,0,0,0,0,0|1,0,0]=3 198 B4R0.2 COCCBr CUR-0009505 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.2 COCCCl CUR-0000941 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.2 COCCN CUR-0012344 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.2 COCCO CUR-0101466 [2,0,0,0,0,0|1,0,0]=3 202 B4R0.2 CSCCN CUR-0101544 [2,0,0,0,0,0|2,0,0]=4 203 B4R0.2 C\C=C\C=O CUR-0001472 [2,0,0,0,0,0|0,0,2]=4 204 B6R0.1 CCC(=O)OCC CUR-0101621 [1,1,0,0,0,0|2,0,0]=4 205 B6R0.1 CCCC(C)C=O CUR-0101597 [1,1,0,0,0,0|1,0,1]=4 206 B6R0.1 CCNC(=O)C#C CUR-0067040 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.1 CCNC(=O)CCl CUR-0099539 [1,1,0,0,0,0|2,0,0]=4 208 B6R0.1 CCOC(=O)C#C CUR-0101411 [1,1,0,0,0,0|2,0,0]=4 209 B6R0.1 CCOC(=O)C#N CUR-0012085 [1,1,0,0,0,0|2,0,0]=4 210 B6R0.1 CCOC(=O)C=C CUR-0027721 [1,1,0,0,0,0|2,0,0]=4 211 B6R0.1 CCOC(=O)C=O CUR-0101612 [1,1,0,0,0,0|1,0,1]=4 212 B6R0.1 CCOC(=O)CBr CUR-0001682 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.1 CCOC(=O)CCl CUR-0015757 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.1 CCOC(=O)CF CUR-0101650 [1,1,0,0,0,0|2,0,0]=4 215 B6R0.1 CCOC(=O)CN CUR-0024509 [1,1,0,0,0,0|2,0,0]=4 216 B6R0.1 CCOC(=O)CO CUR-0101638 [1,1,0,0,0,0|1,0,0]=3 217 B6R0.1 CNCC(=O)OC CUR-0102132 [1,1,0,0,0,0|1,0,0]=3 218 B6R0.1 COC(=O)CC#N CUR-0022414 [1,1,0,0,0,0|1,0,1]=4 219 B6R0.1 COC(=O)CCS CUR-0005277 [1,1,0,0,0,0|1,0,0]=3 220 B6R0.1 COCC(=O)OC CUR-0101636 [1,1,0,0,0,0|1,0,0]=3 221 B6R0.1 C\C=C\C(=O)OC CUR-0101585 [1,1,0,0,0,0|0,0,2]=4 222 B6R0.2 C(C(=O)O)C(=O)O CUR-0011839 [1,1,0,0,0,0|1,0,1]=4 223 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [1,1,0,0,0,0|0,0,2]=4 224 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [1,1,0,0,0,0|1,0,1]=4 225 B6R0.2 CC(=O)CC(=O)N CUR-0101600 [1,1,0,0,0,0|1,0,1]=4 226 B6R0.2 CC(C)CC(=O)C CUR-0017562 [1,1,0,0,0,0|1,0,0]=3 227 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [1,1,0,0,0,0|1,0,0]=3 228 B6R0.2 CC(C)CC(=O)O CUR-0017645 [1,1,0,0,0,0|0,0,0]=2 229 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [1,1,0,0,0,0|2,0,0]=4 230 B6R0.2 CC(OC(=O)Cl)Cl CUR-0007306 [1,1,0,0,0,0|2,0,0]=4 231 B6R0.3 C(C(C(=O)O)Br)Br CUR-0100855 [1,1,0,0,0,0|1,0,0]=3 232 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.3 C(C(C(=O)O)N)S CUR-0101261 [1,1,0,0,0,0|1,0,0]=3 234 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [1,1,0,0,0,0|1,0,0]=3 235 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0004971 [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 C([C@@H](C(=O)O)N)S CUR-0101810 [1,1,0,0,0,0|1,0,0]=3 237 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [1,1,0,0,0,0|1,0,0]=3 238 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [1,1,0,0,0,0|0,0,0]=2 239 B6R0.3 CCC(C(=O)O)N CUR-0010659 [1,1,0,0,0,0|0,0,0]=2 240 B6R0.3 CCC(C(C)O)N CUR-0067426 [1,1,0,0,0,0|1,0,1]=4 241 B6R0.3 CCC(C)C(=O)O CUR-0101619 [1,1,0,0,0,0|0,0,0]=2 242 B6R0.5 C(CS(=O)(=O)O)N CUR-0006763 [1,1,0,0,0,0|2,0,0]=4 243 B6R0.5 CCCS(=O)(=O)Cl CUR-0006923 [1,1,0,0,0,0|1,0,1]=4 244 B6R0.6 C(CC=O)CC=O CUR-0101590 [1,1,0,0,0,0|0,0,1]=3 245 B6R0.6 C(CCBr)CCBr CUR-0024921 [1,1,0,0,0,0|1,0,1]=4 246 B6R0.6 C(CCCl)CC#N CUR-0016906 [1,1,0,0,0,0|1,0,1]=4 247 B6R0.6 C(CCCl)CCBr CUR-0005784 [1,1,0,0,0,0|1,0,1]=4 248 B6R0.6 C(CCO)CCO CUR-0010266 [1,1,0,0,0,0|0,0,1]=3 249 B6R0.6 C(CNCCO)N CUR-0101642 [1,1,0,0,0,0|1,0,1]=4 250 B6R0.6 C(CO)NCCO CUR-0020204 [1,1,0,0,0,0|1,0,1]=4 251 B6R0.6 C(COCCO)N CUR-0101647 [1,1,0,0,0,0|1,0,1]=4 252 B6R0.6 C(COCCO)O CUR-0012642 [1,1,0,0,0,0|1,0,1]=4 253 B6R0.6 C(CSCCO)O CUR-0101840 [1,1,0,0,0,0|1,0,1]=4 254 B6R0.6 CCCCCCBr CUR-0023541 [1,1,0,0,0,0|1,0,1]=4 255 B6R0.6 CCCCCCC CUR-0101599 [1,1,0,0,0,0|1,0,1]=4 256 B6R0.6 CCCCCCI CUR-0008970 [1,1,0,0,0,0|1,0,1]=4 257 B6R0.6 CCCCCCN CUR-0100774 [1,1,0,0,0,0|1,0,1]=4 258 B6R0.6 CCCCCCO CUR-0025713 [1,1,0,0,0,0|0,0,1]=3 259 B6R0.6 CCCCNCC CUR-0101609 [1,1,0,0,0,0|1,0,1]=4 260 B6R0.6 CCCCOC=C CUR-0002040 [1,1,0,0,0,0|1,0,0]=3 261 B6R0.6 CCCNCCC CUR-0008343 [1,1,0,0,0,0|1,0,1]=4 262 B6R0.6 CCNCCC#N CUR-0021027 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.6 CCOCCCN CUR-0101632 [1,1,0,0,0,0|1,0,1]=4 264 B6R0.6 CC\C=C\CCO CUR-0007913 [1,1,0,0,0,0|0,0,2]=4 265 B6R0.6 CNCCCC#C CUR-0122249 [1,1,0,0,0,0|1,0,1]=4 266 B6R0.6 CNCCCCN CUR-0156103 [1,1,0,0,0,0|1,0,1]=4 267 B6R0.6 COCCN=C=O CUR-0101602 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N CUR-0122501 [0,2,0,0,0,0|0,0,0]=2 269 B8R0.5 CC(CC(CCO)O)O CUR-0003071 [0,2,0,0,0,0|1,0,1]=4 270 B8R0.5 CCOC(=O)CC(=O)C CUR-0003002 [0,2,0,0,0,0|1,0,1]=4 271 B8R0.5 CCOC(=O)CC(=O)O CUR-0100749 [0,2,0,0,0,0|0,0,1]=3 272 B8R0.5 CCOC(=O)CC(=O)[O-] CUR-0102852 [0,2,0,0,0,0|0,0,2]=4 273 B8R0.16 CC(=O)CC(OC)OC CUR-0004159 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.16 CCC(CC)CC(=O)O CUR-0002088 [0,2,0,0,0,0|0,0,0]=2 275 B8R0.19 CCC(=O)CC(=O)OC CUR-0009634 [0,2,0,0,0,0|0,0,1]=3 276 B8R0.19 COC(=O)CC(=O)CCl CUR-0006240 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.19 COC(=O)CC(=O)OC CUR-0100775 [0,2,0,0,0,0|1,0,1]=4 278 B8R0.23 C(C(C(=O)O)N)C(=O)O CUR-0025971 [0,2,0,0,0,0|1,0,1]=4 279 B8R0.23 C(C(C(=O)O)O)C(=O)O CUR-0102024 [0,2,0,0,0,0|1,0,1]=4 280 B8R0.23 C(C(C(=O)O)S)C(=O)O CUR-0102354 [0,2,0,0,0,0|1,0,1]=4 281 B8R0.23 C([C@@H](C(=O)O)N)C(=O)N CUR-0101987 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.23 C([C@@H](C(=O)O)N)C(=O)O CUR-0015472 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.23 C([C@H](C(=O)O)N)C(=O)O CUR-0102002 [0,2,0,0,0,0|1,0,1]=4 284 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,2,0,0,0,0|0,0,0]=2 285 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,2,0,0,0,0|0,0,0]=2 286 B8R0.1 CCCCC(=O)OCC CUR-0101964 [0,2,0,0,0,0|0,0,0]=2 287 B8R0.1 CCOC(=O)CCCBr CUR-0018304 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.1 CCOC(=O)CCCCl CUR-0009890 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.6 COCCNC(=O)CCl CUR-0099538 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.6 COCCNC(=O)CN CUR-0026714 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [0,2,0,0,0,0|0,0,0]=2 292 B8R0.8 CCCCC(C(=O)O)Br CUR-0103355 [0,2,0,0,0,0|0,0,0]=2 293 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [0,2,0,0,0,0|0,0,0]=2 294 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [0,2,0,0,0,0|0,0,0]=2 295 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [0,2,0,0,0,0|0,0,0]=2 296 B8R0.9 C(C(=O)NCC(=O)O)N CUR-0013722 [0,2,0,0,0,0|1,0,1]=4 297 B8R0.9 COC(=O)CCC(=O)Cl CUR-0001082 [0,2,0,0,0,0|1,0,1]=4 298 B8R0.9 COC(=O)CCC(=O)O CUR-0027389 [0,2,0,0,0,0|0,0,1]=3 299 B8R0.7 C(CCC(=O)O)CCBr CUR-0101245 [0,2,0,0,0,0|0,0,0]=2 300 B8R0.7 C(CCC(=O)O)CCN CUR-0025350 [0,2,0,0,0,0|0,0,0]=2 301 B8R0.7 C(CCC(=O)O)CCN CUR-0101191 [0,2,0,0,0,0|0,0,0]=2 302 B8R0.7 C(CCC(=O)[O-])CCN CUR-0024211 [0,2,0,0,0,0|0,0,1]=3 303 B8R0.7 C(CCNC(=O)N)CN CUR-0085699 [0,2,0,0,0,0|1,0,0]=3 304 B8R0.7 C(CNCC(=O)O)C#N CUR-0008959 [0,2,0,0,0,0|0,0,1]=3 305 B8R0.7 CC(=O)OCCCCCl CUR-0102385 [0,2,0,0,0,0|1,0,0]=3 306 B8R0.7 CCCCCCC(=O)O CUR-0013258 [0,2,0,0,0,0|0,0,0]=2 307 B8R0.21 C(CCI)CS(=O)(=O)[O-] CUR-0100095 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.28 C(C(=O)O)NCC(=O)O CUR-0102003 [0,2,0,0,0,0|1,0,1]=4 309 B8R0.28 C(C(=O)O)SCC(=O)O CUR-0008007 [0,2,0,0,0,0|1,0,1]=4 310 B8R0.28 C(CC(=O)O)CC(=O)O CUR-0012316 [0,2,0,0,0,0|0,0,1]=3 311 B8R0.28 CC(CNCC(C)O)O CUR-0102020 [0,2,0,0,0,0|1,0,1]=4 312 B8R0.12 CC(C)(CCO)C(=O)[O-] CUR-0165398 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.29 C(CC(F)(F)F)C(=O)O CUR-0102178 [0,2,0,0,0,0|1,0,0]=3 314 B8R0.29 CS(=O)(=O)NCC(=O)O CUR-0027746 [0,2,0,0,0,0|2,0,0]=4 315 B6R1.2 C1CC(=O)C=C1 CUR-0001940 [1,0,0,1,0,0|1,0,1]=4 316 B6R1.2 C1CC(=O)NC1 CUR-0017206 [1,0,0,1,0,0|1,0,0]=3 317 B6R1.2 C1CC(=O)OC1 CUR-0101496 [1,0,0,1,0,0|0,0,0]=2 318 B6R1.2 C1CCC(=O)C1 CUR-0027028 [1,0,0,1,0,0|1,0,0]=3 319 B6R1.2 C1CCC(C1)O CUR-0021370 [1,0,0,1,0,0|1,0,1]=4 320 B6R1.2 C1CNC(=O)N1 CUR-0017995 [1,0,0,1,0,0|2,0,0]=4 321 B6R1.2 C1CNC(=O)N1 CUR-0101499 [1,0,0,1,0,0|2,0,0]=4 322 B6R1.2 C1COC(=O)N1 CUR-0101507 [1,0,0,1,0,0|1,0,0]=3 323 B6R1.2 C1CSCC1=O CUR-0101623 [1,0,0,1,0,0|2,0,0]=4 324 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [1,0,0,1,0,0|1,0,0]=3 325 B6R1.11 C1CC1C(=O)O CUR-0027058 [1,0,0,1,0,0|0,0,0]=2 326 B6R1.11 CC(=O)C1CC1 CUR-0020622 [1,0,0,1,0,0|1,0,0]=3 327 B6R1.1 C1CC=COC1 CUR-0027513 [1,0,0,1,0,0|0,0,1]=3 328 B6R1.1 C1CCC=CC1 CUR-0022869 [1,0,0,1,0,0|1,0,0]=3 329 B6R1.1 C1COCCN1 CUR-0027011 [1,0,0,1,0,0|1,0,1]=4 330 B6R1.4 CC1CCC1N CUR-0163343 [1,0,0,1,0,0|1,0,1]=4 331 B6R1.4 CC1CCC1O CUR-0090358 [1,0,0,1,0,0|0,0,1]=3 332 B6R1.6 C1CC(C1)CBr CUR-0003993 [1,0,0,1,0,0|1,0,1]=4 333 B6R1.6 C1CC(C1)CO CUR-0022828 [1,0,0,1,0,0|0,0,1]=3 334 B6R1.6 C1CC(C1)NN CUR-0100630 [1,0,0,1,0,0|2,0,0]=4 335 B6R1.6 CNC1CCC1 CUR-0010771 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.1 C1C(CNC1=O)CBr CUR-0022348 [0,1,0,1,0,0|2,0,0]=4 337 B8R1.1 C1C(CNC1=O)CN CUR-0046714 [0,1,0,1,0,0|2,0,0]=4 338 B8R1.1 C1C(CNC1=O)CO CUR-0098527 [0,1,0,1,0,0|2,0,0]=4 339 B8R1.1 C1CC(=O)NC1CN CUR-0094491 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.1 C1CC(=O)NC1CO CUR-0028114 [0,1,0,1,0,0|1,0,0]=3 341 B8R1.1 CNC1CC(=O)NC1 CUR-0011593 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [0,1,0,1,0,0|1,0,1]=4 343 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [0,1,0,1,0,0|0,0,1]=3 344 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [0,1,0,1,0,0|1,0,0]=3 345 B8R1.4 CC1CCCC(C1)O CUR-0017679 [0,1,0,1,0,0|1,0,1]=4 346 B8R1.4 CC1CNCC(O1)C CUR-0023957 [0,1,0,1,0,0|1,0,1]=4 347 B8R1.4 C[C@@H]1CNC[C@@H](O1)C CUR-0101741 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.18 CC1CC(C(=O)O1)Br CUR-0020365 [0,1,0,1,0,0|0,0,0]=2 349 B8R1.40 C1CC1NC(=O)CCl CUR-0019155 [0,1,0,1,0,0|2,0,0]=4 350 B8R1.51 C1CS(=O)(=O)CC1Br CUR-0059673 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.51 C1CS(=O)(=O)CC1Cl CUR-0096162 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.51 C1CS(=O)(=O)CC1N CUR-0011613 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.51 C1CS(=O)(=O)CC1N CUR-0100592 [0,1,0,1,0,0|1,0,1]=4 354 B8R1.51 C1CS(=O)(=O)CC1O CUR-0005932 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.51 C1CS(=O)(=O)CC1S CUR-0034252 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.2 C1CC(=COC1)C=O CUR-0100474 [0,1,0,1,0,0|2,0,0]=4 357 B8R1.2 C1CCC(=NO)CC1 CUR-0008698 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.2 C1CCC(CC1)C=O CUR-0101704 [0,1,0,1,0,0|1,0,1]=4 359 B8R1.2 C1CCN(CC1)C=O CUR-0012773 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.2 C1CCOC(C1)CO CUR-0101759 [0,1,0,1,0,0|0,0,2]=4 361 B8R1.2 C1CSCCC1=NO CUR-0009442 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.3 C1CC(=O)NCC1N CUR-0023298 [0,1,0,1,0,0|1,0,0]=3 363 B8R1.3 C1CC(=O)NCC1N CUR-0094615 [0,1,0,1,0,0|1,0,0]=3 364 B8R1.3 C1[C@@H](CC[C@H](C1)O)N CUR-0101742 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.3 C=C1CCC(CC1)N CUR-0123168 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.3 CC1CCC(=O)CC1 CUR-0016613 [0,1,0,1,0,0|1,0,0]=3 367 B8R1.3 CC1CCC(CC1)O CUR-0005881 [0,1,0,1,0,0|1,0,1]=4 368 B8R1.3 CN1CCC(=O)CC1 CUR-0101707 [0,1,0,1,0,0|2,0,0]=4 369 B8R1.5 C1CC(C(=O)NC1)Br CUR-0014307 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.5 C1CC(C(=O)OC1)Br CUR-0008409 [0,1,0,1,0,0|0,0,0]=2 371 B8R1.5 C1CCC(=O)C(C1)Cl CUR-0101998 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.5 CC1C(=O)NCCN1 CUR-0001671 [0,1,0,1,0,0|2,0,0]=4 373 B8R1.5 CC1CCCCC1=O CUR-0101703 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.5 CN1CCNCC1=O CUR-0091495 [0,1,0,1,0,0|2,0,0]=4 375 B8R1.22 C1CC(=O)CCNC1 CUR-0099157 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.22 C1CCC(=O)NCC1 CUR-0022015 [0,1,0,1,0,0|1,0,0]=3 377 B8R1.22 C1CCC(=O)OCC1 CUR-0101418 [0,1,0,1,0,0|0,0,0]=2 378 B8R1.22 C1CCCC(=O)CC1 CUR-0004176 [0,1,0,1,0,0|1,0,0]=3 379 B8R1.22 C1CNCCNC1=O CUR-0003886 [0,1,0,1,0,0|1,0,0]=3 380 B8R1.38 C1CC(C1)C(=O)CN CUR-0153392 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.50 C1CC(=O)N(C1=O)O CUR-0010898 [0,1,0,1,0,0|1,0,1]=4 382 B8R1.50 CN1CCC(C1=O)O CUR-0013744 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.52 C1CCC(C1)(CN)O CUR-0010228 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [0,1,0,1,0,0|0,0,1]=3 385 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [0,1,0,1,0,0|0,0,0]=2 386 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [0,1,0,1,0,0|0,0,0]=2 387 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [0,1,0,1,0,0|0,0,0]=2 388 B8R1.7 C1CCN(C1)C(=N)N CUR-0006505 [0,1,0,1,0,0|2,0,0]=4 389 B8R1.7 C1CNCC1C(=O)N CUR-0028604 [0,1,0,1,0,0|1,0,0]=3 390 B8R1.7 C1COCC1C(=N)N CUR-0165397 [0,1,0,1,0,0|2,0,0]=4 391 B8R1.7 C1COCC1C(=O)O CUR-0024198 [0,1,0,1,0,0|0,0,0]=2 392 B8R1.7 C1CSC(S1)C(=O)O CUR-0011824 [0,1,0,1,0,0|1,0,0]=3 393 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [0,1,0,1,0,0|0,0,0]=2 394 B8R1.7 C1C[C@H](NC1)C(=O)N CUR-0101723 [0,1,0,1,0,0|1,0,0]=3 395 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [0,1,0,1,0,0|0,0,0]=2 396 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [0,1,0,1,0,0|1,0,0]=3 397 B8R1.23 C1C(CC1=O)C(=O)O CUR-0097339 [0,1,0,1,0,0|0,0,1]=3 398 B8R1.54 C1CC1C(C(=O)N)N CUR-0101299 [0,1,0,1,0,0|1,0,0]=3 399 B8R1.78 C1CC(C1)(C(=O)N)N CUR-0011550 [0,1,0,1,0,0|1,0,0]=3 400 B8R2.25 C1CCC2C(C1)O2 CUR-0009735 [0,0,0,2,0,0|1,0,1]=4