0 B5R0.1 C(CBr)C(=O)O CUR-0102453 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.1 C(CCl)C(=O)O CUR-0008480 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 C(CN)C(=O)O CUR-0006907 [0,0,0,0,0,0|4,0,0]=4 4 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C(CS)C(=O)O CUR-0101651 [0,0,0,0,0,0|3,1,0]=4 6 B5R0.1 CC(=CCBr)C CUR-0059675 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(=CCCl)C CUR-0022594 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 CC(=O)COC CUR-0101516 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CC(C)CC#N CUR-0101228 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CC(C)CC=O CUR-0101502 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.1 CC(C)CCBr CUR-0002757 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CC(C)CCN CUR-0101511 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CC(C)CCO CUR-0003416 [0,0,0,0,0,0|1,0,0]=1 14 B5R0.1 CC(C)CNN CUR-0001046 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CC(C)N=C=O CUR-0101492 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.1 CC(C)N=C=S CUR-0101608 [0,0,0,0,0,0|2,1,1]=4 17 B5R0.1 CC(CCO)O CUR-0003759 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CC(COC)N CUR-0101532 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 CC(CSC)N CUR-0019523 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 CCCC(=O)C CUR-0026599 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 CCCC(=O)Cl CUR-0020308 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 CCCC(=O)O CUR-0020198 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 CCCC(C)O CUR-0023615 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CCOC(=O)C CUR-0101519 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 CN(C)CCCl CUR-0017041 [0,0,0,0,0,0|1,0,0]=1 27 B5R0.1 CN(C)CCN CUR-0101525 [0,0,0,0,0,0|1,0,0]=1 28 B5R0.1 CN(C)CCO CUR-0019188 [0,0,0,0,0,0|0,0,0]=0 29 B4R0.1 C(C(=O)N)O CUR-0113957 [1,0,0,0,0,0|3,0,0]=4 30 B4R0.1 C(C(=O)O)O CUR-0014667 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C(O)S(=O)[O-] CUR-0023303 [1,0,0,0,0,0|3,0,0]=4 32 B4R0.1 CC(=C)CCl CUR-0011941 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(=C)OC CUR-0101450 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 CC(=O)CCl CUR-0002239 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 CC(=O)CO CUR-0005016 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(C)C#N CUR-0009528 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(C)C=O CUR-0017872 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 CC(C)CBr CUR-0024115 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(C)CI CUR-0028804 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(C)CN CUR-0020747 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(C)CO CUR-0012302 [1,0,0,0,0,0|1,0,0]=2 42 B4R0.1 CC(C)NN CUR-0014509 [1,0,0,0,0,0|3,0,0]=4 43 B4R0.1 CC(CN)N CUR-0101461 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 CC(CN)O CUR-0024952 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CC(CN)S CUR-0003165 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CC(CO)O CUR-0022593 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(CS)N CUR-0021165 [1,0,0,0,0,0|2,1,0]=4 48 B4R0.1 CCC(=O)Cl CUR-0101547 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 CCC(=O)N CUR-0101453 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 CCC(=O)O CUR-0010221 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 CCC(C)Br CUR-0102085 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CCC(C)I CUR-0055396 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 CCC(C)N CUR-0001789 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CCN(C)C CUR-0101456 [1,0,0,0,0,0|0,0,0]=1 55 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 CN(C)C#N CUR-0101445 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 C\C(=N\O)\N CUR-0098903 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.2 C#CCCN CUR-0100609 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 C#CCCO CUR-0101442 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.2 C(CBr)CBr CUR-0016721 [1,0,0,0,0,0|3,0,0]=4 61 B4R0.2 C(CCl)C#N CUR-0025838 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.2 C(CCl)CBr CUR-0004377 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.2 C(CN)CBr CUR-0103678 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.2 C(CN)CCl CUR-0101958 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 C(CN)CN CUR-0101462 [1,0,0,0,0,0|3,0,0]=4 66 B4R0.2 C(CN)CO CUR-0005687 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.2 C(CO)C#N CUR-0000520 [1,0,0,0,0,0|2,0,0]=3 68 B4R0.2 C(CO)CCl CUR-0004180 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 C(CO)CO CUR-0007262 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.2 C(CO)NN CUR-0100819 [1,0,0,0,0,0|1,0,0]=2 71 B4R0.2 C(CS)CS CUR-0006323 [1,0,0,0,0,0|2,1,0]=4 72 B4R0.2 C=CCCBr CUR-0002027 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 C=CCCI CUR-0000685 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 C=CCCO CUR-0101449 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 C=CCNN CUR-0101265 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 C=CCNN CUR-0122500 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 CC#CCBr CUR-0102000 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 CCCC#N CUR-0101440 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 CCCC=O CUR-0100896 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 CCCCBr CUR-0023794 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 CCCCCl CUR-0023945 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 CCCCI CUR-0001021 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 CCCCN CUR-0017800 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 CCCCN CUR-0101317 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.2 CCCCO CUR-0016718 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.2 CCCNN CUR-0022831 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.2 CCNCC CUR-0022731 [1,0,0,0,0,0|3,0,0]=4 88 B4R0.2 CCNCC CUR-0101285 [1,0,0,0,0,0|3,0,0]=4 89 B4R0.2 CNCCI CUR-0017490 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.2 CNCCO CUR-0011813 [1,0,0,0,0,0|0,0,0]=1 91 B4R0.2 COCC#N CUR-0101446 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.2 COCCBr CUR-0009505 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.2 COCCCl CUR-0000941 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 COCCN CUR-0012344 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.2 COCCO CUR-0101466 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.2 COCOC CUR-0101465 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.2 CSCCN CUR-0101544 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.1 C(CN)C(CN)O CUR-0122282 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.1 CC(CCN)OC CUR-0122797 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 CC(CSC)NC CUR-0022342 [0,1,0,0,0,0|3,0,0]=4 101 B6R0.1 CCCC(C)C=O CUR-0101597 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.1 COC(=O)CCS CUR-0005277 [0,1,0,0,0,0|2,1,0]=4 103 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.2 CC(C)NC(C)C CUR-0028446 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 C(C(C(=O)O)N)O CUR-0101646 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 C([C@@H](C(=O)O)N)O CUR-0101109 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 CC(C)C(=NO)N CUR-0027209 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.3 CC(C)C(CN)O CUR-0027506 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.3 CCC(C(C)O)N CUR-0067426 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 CN(C)C(=O)C#C CUR-0066918 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.3 CN(C)C(=O)NN CUR-0100988 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.4 CC(=O)CCCCl CUR-0004280 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.4 CC(C)CCNN CUR-0019174 [0,1,0,0,0,0|2,0,0]=3 117 B6R0.4 CC(C)CCON CUR-0153393 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.4 CC(C)CN=C=O CUR-0095337 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.4 CC(C)NCC#C CUR-0075482 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.4 CC(C)NCCO CUR-0101633 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.4 CC(CCC#C)O CUR-0038064 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.4 CC(CCC#N)Br CUR-0049988 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.4 CCCCC(=O)C CUR-0101595 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.4 CN(C)CCC#N CUR-0021460 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.4 CN(C)CCCN CUR-0101628 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.4 CN(C)CCCO CUR-0020324 [0,1,0,0,0,0|0,0,0]=1 127 B6R0.4 CN(C)CCNN CUR-0009172 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.4 COCCC(=O)O CUR-0012995 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.5 C(CS(=O)(=O)[O-])O CUR-0102308 [0,1,0,0,0,0|3,0,0]=4 130 B6R0.5 CC(C)(C)CC=O CUR-0101596 [0,1,0,0,0,0|1,0,2]=4 131 B6R0.5 CC(C)(C)CNN CUR-0101236 [0,1,0,0,0,0|3,0,0]=4 132 B6R0.5 CC(C)(CCO)O CUR-0101415 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.5 CS(=O)(=O)CCO CUR-0101869 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.5 C[N+](C)(C)CCO CUR-0013658 [0,1,0,0,0,0|0,0,1]=2 135 B6R0.5 C[N+](C)(C)CCO CUR-0024609 [0,1,0,0,0,0|0,0,1]=2 136 B6R1.2 C1CCC(=O)C1 CUR-0027028 [0,0,0,1,0,0|3,0,0]=4 137 B6R1.2 C1CCC(C1)Br CUR-0025546 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.2 C1CCC(C1)N CUR-0006172 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.2 C1CCC(C1)O CUR-0021370 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.2 C1CNCC1O CUR-0101217 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.2 C1COCC1O CUR-0101518 [0,0,0,1,0,0|2,0,0]=3 143 B6R1.2 C1CSCC1=O CUR-0101623 [0,0,0,1,0,0|2,1,0]=4 144 B6R1.2 C1[C@H](CON1)O CUR-0120241 [0,0,0,1,0,0|3,0,0]=4 145 B6R1.2 CN1CCCC1 CUR-0101495 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.3 C1CC1CNN CUR-0028773 [0,0,0,1,0,0|3,0,0]=4 147 B6R1.3 C1CC1CON CUR-0121722 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.3 CNCC1CC1 CUR-0090189 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.8 C=C1CC1CO CUR-0163362 [0,0,0,1,0,0|1,0,1]=3 150 B6R1.9 CC1(CC1N)C CUR-0090235 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.11 CC(=O)C1CC1 CUR-0020622 [0,0,0,1,0,0|3,0,0]=4 152 B3R0.1 C#CCN CUR-0101424 [2,0,0,0,0,0|1,0,1]=4 153 B3R0.1 C#CCO CUR-0007009 [2,0,0,0,0,0|0,0,2]=4 154 B3R0.1 C(C#N)N CUR-0101408 [2,0,0,0,0,0|1,0,1]=4 155 B3R0.1 C(CBr)Br CUR-0000806 [2,0,0,0,0,0|2,0,0]=4 156 B3R0.1 C(CBr)Cl CUR-0006161 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 C(CBr)N CUR-0103516 [2,0,0,0,0,0|1,0,0]=3 158 B3R0.1 C(CBr)O CUR-0021042 [2,0,0,0,0,0|1,0,0]=3 159 B3R0.1 C(CCl)N CUR-0015629 [2,0,0,0,0,0|1,0,0]=3 160 B3R0.1 C(CCl)O CUR-0101474 [2,0,0,0,0,0|1,0,0]=3 161 B3R0.1 C(CN)N CUR-0009355 [2,0,0,0,0,0|1,0,0]=3 162 B3R0.1 C(CN)N CUR-0101207 [2,0,0,0,0,0|1,0,0]=3 163 B3R0.1 C(CN)N CUR-0101271 [2,0,0,0,0,0|1,0,0]=3 164 B3R0.1 C(CO)N CUR-0010085 [2,0,0,0,0,0|0,0,0]=2 165 B3R0.1 C(CO)O CUR-0026540 [2,0,0,0,0,0|1,0,0]=3 166 B3R0.1 C(CS)N CUR-0000633 [2,0,0,0,0,0|0,1,0]=3 167 B3R0.1 C(CS)N CUR-0101235 [2,0,0,0,0,0|0,1,0]=3 168 B3R0.1 C(CS)O CUR-0013730 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.1 C=CCN CUR-0009493 [2,0,0,0,0,0|1,0,1]=4 170 B3R0.1 C=CCO CUR-0101427 [2,0,0,0,0,0|0,0,2]=4 171 B3R0.1 CCC#N CUR-0100813 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.1 CCC=O CUR-0015273 [2,0,0,0,0,0|0,0,2]=4 173 B3R0.1 CCCBr CUR-0028377 [2,0,0,0,0,0|1,0,0]=3 174 B3R0.1 CCCI CUR-0010202 [2,0,0,0,0,0|1,0,0]=3 175 B3R0.1 CCCN CUR-0000120 [2,0,0,0,0,0|1,0,0]=3 176 B3R0.1 CCCO CUR-0017382 [2,0,0,0,0,0|0,0,0]=2 177 B3R0.1 CCCS CUR-0009615 [2,0,0,0,0,0|0,1,0]=3 178 B3R0.1 CCNN CUR-0017500 [2,0,0,0,0,0|1,0,0]=3 179 B3R0.1 CNC=O CUR-0012781 [2,0,0,0,0,0|0,0,2]=4 180 B3R0.1 CNOC CUR-0015640 [2,0,0,0,0,0|1,0,0]=3 181 B3R0.1 COCCl CUR-0028317 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 CSSC CUR-0101553 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.2 CC(=O)O CUR-0005925 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.2 CC(C)Br CUR-0027321 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.2 CC(C)Cl CUR-0022523 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.2 CC(C)I CUR-0026227 [2,0,0,0,0,0|2,0,0]=4 187 B3R0.2 CC(C)N CUR-0024558 [2,0,0,0,0,0|2,0,0]=4 188 B3R0.2 CC(C)S CUR-0012379 [2,0,0,0,0,0|1,1,0]=4 189 B3R0.2 CN(C)C CUR-0004768 [2,0,0,0,0,0|0,0,0]=2 190 B3R0.2 CP(C)C CUR-0006076 [2,0,0,0,0,0|0,1,0]=3 191 B3R0.2 C[S+](C)C CUR-0103505 [2,0,0,0,0,0|1,0,0]=3 192 B5R0.3 C(C(CO)O)O CUR-0012902 [1,1,0,0,0,0|2,0,0]=4 193 B5R0.3 CC(CO)CO CUR-0101538 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.3 CCC(=O)CC CUR-0101500 [1,1,0,0,0,0|2,0,0]=4 195 B5R0.3 CCC(C)CO CUR-0101523 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.3 CCC(C)NN CUR-0004060 [1,1,0,0,0,0|2,0,0]=4 197 B5R0.3 CCC(CC)Br CUR-0020873 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.3 CCC(CO)N CUR-0101528 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.3 COC(=O)CO CUR-0101535 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.4 CC(C)(C)OO CUR-0122293 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.4 CC(C)(CCl)O CUR-0008479 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.4 CC(C)(CO)N CUR-0101533 [1,1,0,0,0,0|1,0,0]=3 203 B5R0.4 CCC(C)(C)N CUR-0017274 [1,1,0,0,0,0|1,0,0]=3 204 B5R0.4 CCC(C)(C)O CUR-0012425 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.4 C[Si](C)(C)CCl CUR-0101843 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.5 CC(=O)N(C)C CUR-0015735 [1,1,0,0,0,0|0,0,1]=3 207 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.5 CC(C(=O)C)O CUR-0101517 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.5 CC(C(C)Br)Br CUR-0103657 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.5 CC(C)C(=O)C CUR-0101503 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.5 CC(C)C(=O)O CUR-0023620 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.5 CN(C)C(=N)N CUR-0100903 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.5 CN(C)C(=O)Cl CUR-0021018 [1,1,0,0,0,0|0,0,2]=4 214 B5R0.5 CN(C)C(=S)Cl CUR-0101854 [1,1,0,0,0,0|0,1,1]=4 215 B5R0.5 CN(C)C(=S)N CUR-0099857 [1,1,0,0,0,0|0,1,1]=4 216 B5R0.2 C#CCCCO CUR-0101486 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.2 C(C#CCO)N CUR-0090769 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.2 C(C#CCO)O CUR-0101498 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.2 C(C=CCO)O CUR-0100969 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.2 C(CC#N)CO CUR-0020823 [1,1,0,0,0,0|1,0,1]=4 221 B5R0.2 C(CCBr)CBr CUR-0026189 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.2 C(CCBr)CCl CUR-0000065 [1,1,0,0,0,0|2,0,0]=4 223 B5R0.2 C(CCCl)CO CUR-0025105 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.2 C(CCN)CN CUR-0016745 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.2 C(CCO)CO CUR-0024794 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.2 C(CCS)CN CUR-0119579 [1,1,0,0,0,0|1,1,0]=4 227 B5R0.2 C(\C=C/CO)O CUR-0101515 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.2 CC#CCCN CUR-0091824 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.2 CCCCC#N CUR-0002776 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.2 CCCCC=O CUR-0020580 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.2 CCCCCBr CUR-0020920 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.2 CCCCCI CUR-0007389 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.2 CCCCCN CUR-0101510 [1,1,0,0,0,0|2,0,0]=4 234 B5R0.2 CCCCCO CUR-0018736 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.2 CCCCNC CUR-0101509 [1,1,0,0,0,0|1,0,0]=3 236 B5R0.2 CCNCCCl CUR-0137711 [1,1,0,0,0,0|1,0,0]=3 237 B5R0.2 CCNCCO CUR-0101534 [1,1,0,0,0,0|0,0,0]=2 238 B5R0.2 CCOCCBr CUR-0026041 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.2 CCOCCO CUR-0010841 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.2 CC\C=C/CO CUR-0101504 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.2 CNCCC#C CUR-0041404 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.2 CNCCC#N CUR-0024199 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.2 CNCCCN CUR-0101524 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.2 CNCCNC CUR-0001888 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.2 CNCCOC CUR-0101531 [1,1,0,0,0,0|0,0,0]=2 246 B5R0.2 COCCC#N CUR-0101494 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.2 COCCCN CUR-0101530 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.2 COCCNN CUR-0018740 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.2 COCCOC CUR-0026380 [1,1,0,0,0,0|1,0,0]=3 250 B7R0.2 CCC(C)CC(=O)O CUR-0101758 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.2 CN(C)CC(CO)N CUR-0048488 [0,2,0,0,0,0|0,0,0]=2 252 B7R0.2 CN(C)CC(CO)N CUR-0163315 [0,2,0,0,0,0|0,0,0]=2 253 B7R0.3 CNC(=O)OCCO CUR-0053764 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.3 COCCC(=O)OC CUR-0101774 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.7 COCC(CCO)N CUR-0020087 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.7 CSCC(CCO)N CUR-0018604 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.10 C([C@H]([C@H](CO)O)O)O CUR-0163306 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.10 COC(=O)C(CO)N CUR-0010591 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.12 CCN(CC)CCBr CUR-0001629 [0,2,0,0,0,0|1,0,0]=3 261 B7R0.12 CCN(CC)CCCl CUR-0102890 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.12 CCN(CC)CCN CUR-0101764 [0,2,0,0,0,0|1,0,0]=3 263 B7R0.12 CCN(CC)CCO CUR-0014383 [0,2,0,0,0,0|0,0,0]=2 264 B7R0.12 CCN(CC)CCS CUR-0023512 [0,2,0,0,0,0|0,1,0]=3 265 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.9 CC(C)(C)CC(=O)O CUR-0101757 [0,2,0,0,0,0|1,0,1]=4 267 B7R0.16 CC(C)[C@@H](C(=O)O)N CUR-0016393 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.16 CC(C)[C@H](C(=O)O)N CUR-0101079 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.15 CN(C)C(OC)OC CUR-0022954 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.4 CC(C)OCCCN CUR-0101773 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.4 CC(C)OCCCO CUR-0010579 [0,2,0,0,0,0|1,0,0]=3 272 B7R0.4 CN(C)CC#CCN CUR-0098586 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.4 CN(C)CCN=C=O CUR-0000295 [0,2,0,0,0,0|0,0,1]=3 274 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.6 CN(C)CCN(C)C CUR-0001051 [0,2,0,0,0,0|1,0,0]=3 276 B7R0.8 CC(C)(C)OCCO CUR-0101780 [0,2,0,0,0,0|1,0,0]=3 277 B5R1.2 C1C(CO1)O CUR-0028981 [1,0,0,1,0,0|2,0,0]=4 278 B5R1.2 C1CC(=O)C1 CUR-0005686 [1,0,0,1,0,0|2,0,0]=4 279 B5R1.2 C1CC(C1)Br CUR-0102047 [1,0,0,1,0,0|2,0,0]=4 280 B5R1.2 C1CC(C1)O CUR-0029256 [1,0,0,1,0,0|2,0,0]=4 281 B5R1.3 C1C(O1)CO CUR-0011597 [1,0,0,1,0,0|2,0,0]=4 282 B5R1.3 C1CC1CBr CUR-0015213 [1,0,0,1,0,0|2,0,0]=4 283 B5R1.3 C1CC1CN CUR-0019694 [1,0,0,1,0,0|2,0,0]=4 284 B5R1.3 C1CC1CO CUR-0016442 [1,0,0,1,0,0|1,0,0]=3 285 B5R1.1 C1C=CCO1 CUR-0017724 [1,0,0,1,0,0|1,0,1]=4 286 B5R1.1 C1CCNC1 CUR-0027320 [1,0,0,1,0,0|1,0,0]=3 287 B5R1.1 C1COC=C1 CUR-0023942 [1,0,0,1,0,0|1,0,1]=4 288 B7R1.1 C1CCC(C1)CBr CUR-0005007 [0,1,0,1,0,0|2,0,0]=4 289 B7R1.1 C1CCC(C1)CN CUR-0013562 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.1 C1CCC(C1)CO CUR-0114427 [0,1,0,1,0,0|2,0,0]=4 291 B7R1.1 C1CCN(C1)C=O CUR-0050422 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.1 C1CNCC1CF CUR-0122530 [0,1,0,1,0,0|2,0,0]=4 293 B7R1.1 C1COCC1C#N CUR-0018666 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.1 C1COCC1C=O CUR-0082585 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.1 C1COCC1CBr CUR-0003563 [0,1,0,1,0,0|1,0,0]=3 296 B7R1.1 C1COCC1CI CUR-0015713 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.1 C1COCC1CN CUR-0021455 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.1 C1COCC1CO CUR-0101139 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.1 CNC1CCCC1 CUR-0011121 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.1 CNC1CCOC1 CUR-0020484 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.1 CSC1CCNC1 CUR-0121753 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.3 C1CC(COC1)N CUR-0090441 [0,1,0,1,0,0|2,0,0]=4 303 B7R1.3 C1COCC(=O)N1 CUR-0014967 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.3 C1COCCC1=O CUR-0001478 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.3 C1COCCC1O CUR-0101618 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.3 C1COCCN1N CUR-0101622 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.3 CC1CCCCN1 CUR-0101581 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.3 CC1CCCNC1 CUR-0013551 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.3 CC1CCNCC1 CUR-0000849 [0,1,0,1,0,0|2,0,0]=4 310 B7R1.3 CC1CNCCN1 CUR-0101598 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.3 CN1CCNCC1 CUR-0017087 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.3 CN1CCOCC1 CUR-0027520 [0,1,0,1,0,0|0,0,0]=2 313 B7R1.4 CN1CCCC1=O CUR-0101576 [0,1,0,1,0,0|1,0,1]=4 314 B7R1.22 C1CC1C(CN)O CUR-0022173 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.12 CC1CC1C(=O)O CUR-0100917 [0,1,0,1,0,0|1,0,1]=4 316 B7R1.20 C1CC1CC(=O)O CUR-0101588 [0,1,0,1,0,0|1,0,1]=4 317 B7R1.7 C1CC1NCCO CUR-0001656 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.7 C1CC1OCCCl CUR-0010646 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.14 CC1(CCCN1)C CUR-0020922 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.14 CC1(COCN1)C CUR-0101605 [0,1,0,1,0,0|2,0,0]=4 321 B7R2.13 C1C2C(O2)CO1 CUR-0101497 [0,0,0,2,0,0|2,0,0]=4 322 B7R2.13 C1CNC2C1C2 CUR-0015592 [0,0,0,2,0,0|2,0,0]=4