0 B5R0.1 C(C(F)F)NN CUR-0027696 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 C(CBr)C(=O)O CUR-0102453 [0,0,0,0,0,0|2,1,1]=4 2 B5R0.1 C(CCl)C(=O)Cl CUR-0009101 [0,0,0,0,0,0|2,1,1]=4 3 B5R0.1 C(CCl)C(=O)O CUR-0008480 [0,0,0,0,0,0|2,1,1]=4 4 B5R0.1 C(CN)C(=O)O CUR-0006907 [0,0,0,0,0,0|2,1,1]=4 5 B5R0.1 C(CN)C(=O)[O-] CUR-0101293 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.1 C(CS)C(=O)O CUR-0101651 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.1 CC(=CCBr)C CUR-0059675 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CC(=CCCl)C CUR-0022594 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CC(=O)COC CUR-0101516 [0,0,0,0,0,0|1,1,1]=3 10 B5R0.1 CC(C)CC#N CUR-0101228 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(C)CC=O CUR-0101502 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(C)CCBr CUR-0002757 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CC(C)CCN CUR-0101511 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 CC(C)CCO CUR-0003416 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 CC(C)CNN CUR-0001046 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.1 CC(C)N=C=O CUR-0101492 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 CC(C)N=C=S CUR-0101608 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 CC(CCO)O CUR-0003759 [0,0,0,0,0,0|1,1,0]=2 19 B5R0.1 CC(COC)N CUR-0101532 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 CC(CSC)N CUR-0019523 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 CCCC(=O)C CUR-0026599 [0,0,0,0,0,0|0,1,1]=2 22 B5R0.1 CCCC(=O)Cl CUR-0020308 [0,0,0,0,0,0|1,1,1]=3 23 B5R0.1 CCCC(=O)O CUR-0020198 [0,0,0,0,0,0|1,1,1]=3 24 B5R0.1 CCCC(C)O CUR-0023615 [0,0,0,0,0,0|0,1,0]=1 25 B5R0.1 CCC[N+](=O)[O-] CUR-0101527 [0,0,0,0,0,0|2,1,0]=3 26 B5R0.1 CCOC(=O)C CUR-0101519 [0,0,0,0,0,0|1,1,1]=3 27 B5R0.1 CCOC(=O)Cl CUR-0026181 [0,0,0,0,0,0|2,1,1]=4 28 B5R0.1 CCOC(=O)N CUR-0100824 [0,0,0,0,0,0|2,1,1]=4 29 B5R0.1 CN(C)CCCl CUR-0017041 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 CN(C)CCN CUR-0101525 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 CN(C)CCO CUR-0019188 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CNCC(=O)O CUR-0018005 [0,0,0,0,0,0|2,1,1]=4 33 B5R0.1 COCC(=O)Cl CUR-0101665 [0,0,0,0,0,0|2,1,1]=4 34 B5R0.1 COCC(=O)O CUR-0014449 [0,0,0,0,0,0|2,1,1]=4 35 B5R0.1 CSCC(=N)N CUR-0100998 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CSCC(=O)O CUR-0025987 [0,0,0,0,0,0|2,1,1]=4 37 B4R0.1 C(C(Cl)Cl)Cl CUR-0102022 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 C(C(Cl)Cl)N CUR-0101208 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 CC(=C)CCl CUR-0011941 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(=C)OC CUR-0101450 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(=O)CCl CUR-0002239 [1,0,0,0,0,0|1,1,1]=4 42 B4R0.1 CC(=O)CO CUR-0005016 [1,0,0,0,0,0|1,1,1]=4 43 B4R0.1 CC(C#C)N CUR-0083146 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 CC(C#C)O CUR-0101444 [1,0,0,0,0,0|0,1,2]=4 45 B4R0.1 CC(C#N)Cl CUR-0101233 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CC(C)C#N CUR-0009528 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CC(C)C=O CUR-0017872 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CC(C)CBr CUR-0024115 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 CC(C)CI CUR-0028804 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(C)CN CUR-0020747 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CC(C)CO CUR-0012302 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 CC(C)NN CUR-0014509 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 CC(CN)N CUR-0101461 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 CC(CN)O CUR-0024952 [1,0,0,0,0,0|1,1,0]=3 55 B4R0.1 CC(CN)S CUR-0003165 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 CC(CO)O CUR-0022593 [1,0,0,0,0,0|1,1,0]=3 57 B4R0.1 CC(CS)N CUR-0021165 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CCC(=O)Cl CUR-0101547 [1,0,0,0,0,0|1,1,1]=4 59 B4R0.1 CCC(=O)N CUR-0101453 [1,0,0,0,0,0|1,1,1]=4 60 B4R0.1 CCC(=O)O CUR-0010221 [1,0,0,0,0,0|1,1,1]=4 61 B4R0.1 CCC(C)Br CUR-0102085 [1,0,0,0,0,0|1,0,0]=2 62 B4R0.1 CCC(C)I CUR-0055396 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.1 CCC(C)N CUR-0001789 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 CCN(C)C CUR-0101456 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 CC[N+](=O)[O-] CUR-0012449 [1,0,0,0,0,0|2,1,0]=4 66 B4R0.1 COC(Cl)Cl CUR-0101733 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.2 C#CCCN CUR-0100609 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.2 C#CCCO CUR-0101442 [1,0,0,0,0,0|0,1,2]=4 69 B4R0.2 C(CBr)CBr CUR-0016721 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.2 C(CCl)C#N CUR-0025838 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 C(CCl)CBr CUR-0004377 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.2 C(CN)CBr CUR-0103678 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.2 C(CN)CCl CUR-0101958 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 C(CN)CN CUR-0101462 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 C(CN)CO CUR-0005687 [1,0,0,0,0,0|1,1,0]=3 76 B4R0.2 C(CO)C#N CUR-0000520 [1,0,0,0,0,0|1,1,1]=4 77 B4R0.2 C(CO)CCl CUR-0004180 [1,0,0,0,0,0|1,1,0]=3 78 B4R0.2 C(CO)CO CUR-0007262 [1,0,0,0,0,0|1,1,0]=3 79 B4R0.2 C(CO)NN CUR-0100819 [1,0,0,0,0,0|2,1,0]=4 80 B4R0.2 C(CS)CS CUR-0006323 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 C=CCCBr CUR-0002027 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.2 C=CCCI CUR-0000685 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 C=CCCO CUR-0101449 [1,0,0,0,0,0|0,1,2]=4 84 B4R0.2 CC#CCBr CUR-0102000 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 CCCC#N CUR-0101440 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.2 CCCC=O CUR-0100896 [1,0,0,0,0,0|0,1,1]=3 87 B4R0.2 CCCCBr CUR-0023794 [1,0,0,0,0,0|1,0,0]=2 88 B4R0.2 CCCCCl CUR-0023945 [1,0,0,0,0,0|1,0,0]=2 89 B4R0.2 CCCCI CUR-0001021 [1,0,0,0,0,0|1,0,0]=2 90 B4R0.2 CCCCN CUR-0017800 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.2 CCCCN CUR-0101317 [1,0,0,0,0,0|1,0,0]=2 92 B4R0.2 CCCCO CUR-0016718 [1,0,0,0,0,0|0,1,0]=2 93 B4R0.2 CCCNN CUR-0022831 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.2 CCN=C=O CUR-0101447 [1,0,0,0,0,0|1,1,1]=4 95 B4R0.2 CCN=C=S CUR-0006416 [1,0,0,0,0,0|1,0,2]=4 96 B4R0.2 CCNCC CUR-0022731 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.2 CCNCC CUR-0101285 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.2 CCOC=C CUR-0100764 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.2 CCOC=O CUR-0010493 [1,0,0,0,0,0|1,1,1]=4 100 B4R0.2 CNCCI CUR-0017490 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.2 CNCCO CUR-0011813 [1,0,0,0,0,0|1,1,0]=3 102 B4R0.2 COCC#N CUR-0101446 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.2 COCCBr CUR-0009505 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.2 COCCCl CUR-0000941 [1,0,0,0,0,0|2,0,0]=3 105 B4R0.2 COCCN CUR-0012344 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.2 COCCO CUR-0101466 [1,0,0,0,0,0|1,1,0]=3 107 B4R0.2 COCOC CUR-0101465 [1,0,0,0,0,0|2,0,0]=3 108 B4R0.2 CSCCN CUR-0101544 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.1 C(CN)C(CN)O CUR-0122282 [0,1,0,0,0,0|1,1,0]=3 110 B6R0.1 CC(CCN)OC CUR-0122797 [0,1,0,0,0,0|1,1,0]=3 111 B6R0.1 CC(CSC)NC CUR-0022342 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.1 CCC(=O)OCC CUR-0101621 [0,1,0,0,0,0|1,1,1]=4 113 B6R0.1 CCCC(C)C=O CUR-0101597 [0,1,0,0,0,0|0,1,0]=2 114 B6R0.1 CCNC(=O)CCl CUR-0099539 [0,1,0,0,0,0|1,1,1]=4 115 B6R0.1 CCOC(=O)CBr CUR-0001682 [0,1,0,0,0,0|1,1,1]=4 116 B6R0.1 CCOC(=O)CCl CUR-0015757 [0,1,0,0,0,0|1,1,1]=4 117 B6R0.1 CCOC(=O)CF CUR-0101650 [0,1,0,0,0,0|1,1,1]=4 118 B6R0.1 CCOC(=O)CN CUR-0024509 [0,1,0,0,0,0|1,1,1]=4 119 B6R0.1 CCOC(=O)CO CUR-0101638 [0,1,0,0,0,0|1,1,1]=4 120 B6R0.1 CNCC(=O)OC CUR-0102132 [0,1,0,0,0,0|1,1,1]=4 121 B6R0.1 COC(=O)CCS CUR-0005277 [0,1,0,0,0,0|1,1,1]=4 122 B6R0.1 COCC(=O)OC CUR-0101636 [0,1,0,0,0,0|1,1,1]=4 123 B6R0.2 CC(=O)CC(=O)C CUR-0004776 [0,1,0,0,0,0|0,1,2]=4 124 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,1,0,0,0,0|0,1,1]=3 125 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,1,0,0,0,0|1,1,1]=4 126 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,1,0,0,0,0|1,1,1]=4 127 B6R0.2 CC(C)NC(C)C CUR-0028446 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.3 CC(C(=O)OC)Br CUR-0102802 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.3 CC(C)C(=N)OC CUR-0101310 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.3 CC(C)C(CN)O CUR-0027506 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 CCC(C(=O)N)Br CUR-0027495 [0,1,0,0,0,0|1,1,1]=4 132 B6R0.3 CCC(C(=O)O)Br CUR-0102801 [0,1,0,0,0,0|1,1,1]=4 133 B6R0.3 CCC(C(=O)O)N CUR-0010659 [0,1,0,0,0,0|1,1,1]=4 134 B6R0.3 CCC(C(C)O)N CUR-0067426 [0,1,0,0,0,0|0,1,0]=2 135 B6R0.3 CCC(C)C(=O)O CUR-0101619 [0,1,0,0,0,0|1,1,1]=4 136 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [0,1,0,0,0,0|1,1,1]=4 137 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [0,1,0,0,0,0|1,1,1]=4 138 B6R0.4 C(CC(=O)O)CN CUR-0010241 [0,1,0,0,0,0|1,1,1]=4 139 B6R0.4 CC(=O)CCCCl CUR-0004280 [0,1,0,0,0,0|0,1,1]=3 140 B6R0.4 CC(C)CCNN CUR-0019174 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.4 CC(C)CCON CUR-0153393 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.4 CC(C)CN=C=O CUR-0095337 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.4 CC(C)NCC#C CUR-0075482 [0,1,0,0,0,0|1,0,2]=4 144 B6R0.4 CC(C)NCCO CUR-0101633 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.4 CC(CCC#C)O CUR-0038064 [0,1,0,0,0,0|0,1,1]=3 146 B6R0.4 CC(CCC#N)Br CUR-0049988 [0,1,0,0,0,0|1,0,1]=3 147 B6R0.4 CCCCC(=O)C CUR-0101595 [0,1,0,0,0,0|0,1,1]=3 148 B6R0.4 CCCCC(=O)Cl CUR-0101805 [0,1,0,0,0,0|1,1,1]=4 149 B6R0.4 CCCCC(=O)O CUR-0101620 [0,1,0,0,0,0|1,1,1]=4 150 B6R0.4 CCOCC(=O)O CUR-0101637 [0,1,0,0,0,0|1,1,1]=4 151 B6R0.4 CN(C)CCC#N CUR-0021460 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.4 CN(C)CCCN CUR-0101628 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.4 CN(C)CCCO CUR-0020324 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.4 CN(C)CCNN CUR-0009172 [0,1,0,0,0,0|3,0,0]=4 155 B6R0.4 COCCC(=O)O CUR-0012995 [0,1,0,0,0,0|1,1,1]=4 156 B6R0.5 CC(C)(C)CC=O CUR-0101596 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.5 CC(C)(C)CNN CUR-0101236 [0,1,0,0,0,0|3,0,0]=4 158 B6R0.5 CC(C)(CCO)O CUR-0101415 [0,1,0,0,0,0|1,1,0]=3 159 B6R0.5 CCCS(=O)(=O)Cl CUR-0006923 [0,1,0,0,0,0|2,1,0]=4 160 B6R0.5 CS(=O)(=O)CCO CUR-0101869 [0,1,0,0,0,0|2,1,0]=4 161 B6R0.5 C[N+](C)(C)CCO CUR-0013658 [0,1,0,0,0,0|3,0,0]=4 162 B6R0.5 C[N+](C)(C)CCO CUR-0024609 [0,1,0,0,0,0|3,0,0]=4 163 B6R1.2 C1CC(=O)NC1 CUR-0017206 [0,0,0,1,0,0|1,1,1]=4 164 B6R1.2 C1CC(=O)OC1 CUR-0101496 [0,0,0,1,0,0|1,1,1]=4 165 B6R1.2 C1CCC(=O)C1 CUR-0027028 [0,0,0,1,0,0|0,1,1]=3 166 B6R1.2 C1CCC(C1)Br CUR-0025546 [0,0,0,1,0,0|1,0,0]=2 167 B6R1.2 C1CCC(C1)N CUR-0006172 [0,0,0,1,0,0|1,0,0]=2 168 B6R1.2 C1CCC(C1)O CUR-0021370 [0,0,0,1,0,0|0,1,0]=2 169 B6R1.2 C1CNCC1O CUR-0101217 [0,0,0,1,0,0|1,1,0]=3 170 B6R1.2 C1CNC[C@@H]1O CUR-0101508 [0,0,0,1,0,0|1,1,0]=3 171 B6R1.2 C1COCC1O CUR-0101518 [0,0,0,1,0,0|1,1,0]=3 172 B6R1.2 C1CSC(=N)N1 CUR-0101395 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.2 C1CSC(=N1)N CUR-0013303 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.2 C1CSC(=N1)N CUR-0101202 [0,0,0,1,0,0|2,0,1]=4 175 B6R1.2 C1CSC(=N1)S CUR-0101794 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.2 C1CSCC1=O CUR-0101623 [0,0,0,1,0,0|1,1,1]=4 177 B6R1.2 C1[C@H](CON1)O CUR-0120241 [0,0,0,1,0,0|2,1,0]=4 178 B6R1.2 CN1CCCC1 CUR-0101495 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.3 C1CC1CNN CUR-0028773 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.3 C1CC1CON CUR-0121722 [0,0,0,1,0,0|3,0,0]=4 181 B6R1.3 CNCC1CC1 CUR-0090189 [0,0,0,1,0,0|2,0,0]=3 182 B6R1.8 C=C1CC1CO CUR-0163362 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.9 CC1(CC1N)C CUR-0090235 [0,0,0,1,0,0|2,0,0]=3 184 B6R1.11 C1CC1C(=O)Cl CUR-0101645 [0,0,0,1,0,0|1,1,1]=4 185 B6R1.11 C1CC1C(=O)O CUR-0027058 [0,0,0,1,0,0|1,1,1]=4 186 B6R1.11 CC(=O)C1CC1 CUR-0020622 [0,0,0,1,0,0|0,1,1]=3 187 B3R0.1 C(CBr)Br CUR-0000806 [2,0,0,0,0,0|2,0,0]=4 188 B3R0.1 C(CBr)Cl CUR-0006161 [2,0,0,0,0,0|2,0,0]=4 189 B3R0.1 C(CBr)N CUR-0103516 [2,0,0,0,0,0|2,0,0]=4 190 B3R0.1 C(CBr)O CUR-0021042 [2,0,0,0,0,0|1,1,0]=4 191 B3R0.1 C(CCl)N CUR-0015629 [2,0,0,0,0,0|2,0,0]=4 192 B3R0.1 C(CCl)O CUR-0101474 [2,0,0,0,0,0|1,1,0]=4 193 B3R0.1 C(CN)N CUR-0009355 [2,0,0,0,0,0|2,0,0]=4 194 B3R0.1 C(CN)N CUR-0101207 [2,0,0,0,0,0|2,0,0]=4 195 B3R0.1 C(CN)N CUR-0101271 [2,0,0,0,0,0|2,0,0]=4 196 B3R0.1 C(CO)N CUR-0010085 [2,0,0,0,0,0|1,1,0]=4 197 B3R0.1 C(CO)O CUR-0026540 [2,0,0,0,0,0|1,1,0]=4 198 B3R0.1 C(CS)N CUR-0000633 [2,0,0,0,0,0|1,0,0]=3 199 B3R0.1 C(CS)N CUR-0101235 [2,0,0,0,0,0|1,0,0]=3 200 B3R0.1 C(CS)O CUR-0013730 [2,0,0,0,0,0|1,0,0]=3 201 B3R0.1 CCC#N CUR-0100813 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.1 CCC=O CUR-0015273 [2,0,0,0,0,0|0,1,1]=4 203 B3R0.1 CCCBr CUR-0028377 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 CCCI CUR-0010202 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.1 CCCN CUR-0000120 [2,0,0,0,0,0|1,0,0]=3 206 B3R0.1 CCCO CUR-0017382 [2,0,0,0,0,0|0,1,0]=3 207 B3R0.1 CCCS CUR-0009615 [2,0,0,0,0,0|0,0,0]=2 208 B3R0.1 CCNN CUR-0017500 [2,0,0,0,0,0|2,0,0]=4 209 B3R0.1 CNOC CUR-0015640 [2,0,0,0,0,0|2,0,0]=4 210 B3R0.1 COCCl CUR-0028317 [2,0,0,0,0,0|2,0,0]=4 211 B3R0.1 CSSC CUR-0101553 [2,0,0,0,0,0|2,0,0]=4 212 B3R0.2 CC(C)Br CUR-0027321 [2,0,0,0,0,0|1,0,0]=3 213 B3R0.2 CC(C)Cl CUR-0022523 [2,0,0,0,0,0|1,0,0]=3 214 B3R0.2 CC(C)I CUR-0026227 [2,0,0,0,0,0|1,0,0]=3 215 B3R0.2 CC(C)N CUR-0024558 [2,0,0,0,0,0|1,0,0]=3 216 B3R0.2 CC(C)S CUR-0012379 [2,0,0,0,0,0|0,0,0]=2 217 B3R0.2 CN(C)C CUR-0004768 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.2 CP(C)C CUR-0006076 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.2 C[S+](C)C CUR-0103505 [2,0,0,0,0,0|2,0,0]=4 220 B5R0.3 C(C(CO)O)O CUR-0012902 [1,1,0,0,0,0|1,1,0]=4 221 B5R0.3 CC(CO)CO CUR-0101538 [1,1,0,0,0,0|1,1,0]=4 222 B5R0.3 CCC(=O)CC CUR-0101500 [1,1,0,0,0,0|0,1,1]=4 223 B5R0.3 CCC(C)CO CUR-0101523 [1,1,0,0,0,0|0,1,0]=3 224 B5R0.3 CCC(C)NN CUR-0004060 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.3 CCC(CC)Br CUR-0020873 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.3 CCC(CO)N CUR-0101528 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.4 CC(C)(CCl)O CUR-0008479 [1,1,0,0,0,0|1,1,0]=4 228 B5R0.4 CC(C)(CO)N CUR-0101533 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.4 CCC(C)(C)N CUR-0017274 [1,1,0,0,0,0|1,0,0]=3 230 B5R0.4 CCC(C)(C)O CUR-0012425 [1,1,0,0,0,0|0,1,0]=3 231 B5R0.5 CC(C(=O)C)Cl CUR-0002968 [1,1,0,0,0,0|0,1,1]=4 232 B5R0.5 CC(C(=O)C)O CUR-0101517 [1,1,0,0,0,0|0,1,1]=4 233 B5R0.5 CC(C(=O)O)S CUR-0001712 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.5 CC(C(C)Br)Br CUR-0103657 [1,1,0,0,0,0|1,0,0]=3 235 B5R0.5 CC(C)C(=O)C CUR-0101503 [1,1,0,0,0,0|0,1,1]=4 236 B5R0.2 C#CCCCO CUR-0101486 [1,1,0,0,0,0|0,0,2]=4 237 B5R0.2 C(CC#N)CCl CUR-0000109 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.2 C(CC#N)CO CUR-0020823 [1,1,0,0,0,0|0,1,1]=4 239 B5R0.2 C(CCBr)CBr CUR-0026189 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.2 C(CCBr)CCl CUR-0000065 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.2 C(CCCl)CO CUR-0025105 [1,1,0,0,0,0|0,1,0]=3 242 B5R0.2 C(CCN)CN CUR-0016745 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.2 C(CCO)CO CUR-0024794 [1,1,0,0,0,0|0,1,0]=3 244 B5R0.2 C(CCS)CN CUR-0119579 [1,1,0,0,0,0|0,0,0]=2 245 B5R0.2 C=CCCCN CUR-0089890 [1,1,0,0,0,0|0,0,2]=4 246 B5R0.2 CC#CCCN CUR-0091824 [1,1,0,0,0,0|0,0,2]=4 247 B5R0.2 CCCCC#N CUR-0002776 [1,1,0,0,0,0|0,0,1]=3 248 B5R0.2 CCCCC=O CUR-0020580 [1,1,0,0,0,0|0,0,1]=3 249 B5R0.2 CCCCCBr CUR-0020920 [1,1,0,0,0,0|0,0,0]=2 250 B5R0.2 CCCCCI CUR-0007389 [1,1,0,0,0,0|0,0,0]=2 251 B5R0.2 CCCCCN CUR-0101510 [1,1,0,0,0,0|0,0,0]=2 252 B5R0.2 CCCCCO CUR-0018736 [1,1,0,0,0,0|0,0,0]=2 253 B5R0.2 CCCCNC CUR-0101509 [1,1,0,0,0,0|0,0,0]=2 254 B5R0.2 CCCN=C=O CUR-0101493 [1,1,0,0,0,0|0,1,1]=4 255 B5R0.2 CCNCCCl CUR-0137711 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.2 CCNCCO CUR-0101534 [1,1,0,0,0,0|0,1,0]=3 257 B5R0.2 CCOCCBr CUR-0026041 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.2 CCOCCO CUR-0010841 [1,1,0,0,0,0|0,1,0]=3 259 B5R0.2 CCO\C=C\C CUR-0101289 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.2 CC\C=C/CO CUR-0101504 [1,1,0,0,0,0|0,0,2]=4 261 B5R0.2 CNCCC#C CUR-0041404 [1,1,0,0,0,0|0,0,2]=4 262 B5R0.2 CNCCC#N CUR-0024199 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.2 CNCCCN CUR-0101524 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.2 CNCCNC CUR-0001888 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.2 CNCCOC CUR-0101531 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.2 COCCC#N CUR-0101494 [1,1,0,0,0,0|1,0,1]=4 267 B5R0.2 COCCCN CUR-0101530 [1,1,0,0,0,0|1,0,0]=3 268 B5R0.2 COCCNN CUR-0018740 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.2 COCCOC CUR-0026380 [1,1,0,0,0,0|1,0,0]=3 270 B7R0.2 CN(C)CC(CO)N CUR-0048488 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.2 CN(C)CC(CO)N CUR-0163315 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.3 CCCNC(=O)CCl CUR-0099537 [0,2,0,0,0,0|0,1,1]=4 273 B7R0.3 CCCOC(=O)CCl CUR-0101322 [0,2,0,0,0,0|0,1,1]=4 274 B7R0.3 CCOCC(CN)O CUR-0096148 [0,2,0,0,0,0|0,1,0]=3 275 B7R0.3 COC(=O)CCCN CUR-0008398 [0,2,0,0,0,0|0,1,1]=4 276 B7R0.3 COCCC(=O)OC CUR-0101774 [0,2,0,0,0,0|0,1,1]=4 277 B7R0.5 CCCC(C(=O)O)Br CUR-0020650 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.5 CCCC(C)C(C)N CUR-0034233 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.5 CCOC(=O)C(C)Br CUR-0103087 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.7 CC(COC)N=C=O CUR-0098998 [0,2,0,0,0,0|1,1,0]=4 281 B7R0.7 CCCC(=O)OCC CUR-0005973 [0,2,0,0,0,0|0,1,1]=4 282 B7R0.7 CCOC(C)OCC CUR-0008227 [0,2,0,0,0,0|1,1,0]=4 283 B7R0.7 COCC(CCO)N CUR-0020087 [0,2,0,0,0,0|2,0,0]=4 284 B7R0.7 CSCC(CCO)N CUR-0018604 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.10 C([C@H]([C@H](CO)O)O)O CUR-0163306 [0,2,0,0,0,0|1,1,0]=4 286 B7R0.11 CC(CN)(COC)O CUR-0010743 [0,2,0,0,0,0|1,1,0]=4 287 B7R0.11 CC(CSC)(C#N)N CUR-0120956 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.9 CC(=O)CC(C)(C)O CUR-0020852 [0,2,0,0,0,0|0,1,1]=4 289 B7R0.4 CC(C)OCCCN CUR-0101773 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.4 CC(C)OCCCO CUR-0010579 [0,2,0,0,0,0|1,0,0]=3 291 B7R0.4 CCCCOC(=O)C CUR-0026180 [0,2,0,0,0,0|0,1,1]=4 292 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,2,0,0,0,0|0,1,1]=4 293 B7R0.6 CN(C)CCN(C)C CUR-0001051 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.8 CC(C)(C)OCCO CUR-0101780 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.8 CS(=O)(=O)CCCBr CUR-0028536 [0,2,0,0,0,0|1,1,0]=4 296 B5R1.2 C1C(CN1)O CUR-0015234 [1,0,0,1,0,0|1,1,0]=4 297 B5R1.2 C1C(CO1)O CUR-0028981 [1,0,0,1,0,0|1,1,0]=4 298 B5R1.2 C1CC(=O)C1 CUR-0005686 [1,0,0,1,0,0|0,1,1]=4 299 B5R1.2 C1CC(C1)Br CUR-0102047 [1,0,0,1,0,0|1,0,0]=3 300 B5R1.2 C1CC(C1)O CUR-0029256 [1,0,0,1,0,0|0,1,0]=3 301 B5R1.3 C1C(O1)CCl CUR-0004573 [1,0,0,1,0,0|1,1,0]=4 302 B5R1.3 C1C(O1)CO CUR-0011597 [1,0,0,1,0,0|1,1,0]=4 303 B5R1.3 C1CC1CBr CUR-0015213 [1,0,0,1,0,0|2,0,0]=4 304 B5R1.3 C1CC1CN CUR-0019694 [1,0,0,1,0,0|2,0,0]=4 305 B5R1.3 C1CC1CO CUR-0016442 [1,0,0,1,0,0|2,0,0]=4 306 B5R1.1 C1CCNC1 CUR-0027320 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.1 C1CC(OC1)CBr CUR-0102737 [0,1,0,1,0,0|0,1,0]=3 308 B7R1.1 C1CC(OC1)CCl CUR-0000752 [0,1,0,1,0,0|0,1,0]=3 309 B7R1.1 C1CC(OC1)CN CUR-0022405 [0,1,0,1,0,0|0,1,0]=3 310 B7R1.1 C1CC(OC1)CO CUR-0021816 [0,1,0,1,0,0|0,1,0]=3 311 B7R1.1 C1CCC(C1)C#N CUR-0101264 [0,1,0,1,0,0|1,0,0]=3 312 B7R1.1 C1CCC(C1)CBr CUR-0005007 [0,1,0,1,0,0|1,0,0]=3 313 B7R1.1 C1CCC(C1)CN CUR-0013562 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.1 C1CCC(C1)CO CUR-0114427 [0,1,0,1,0,0|0,1,0]=3 315 B7R1.1 C1CCC(C1)NN CUR-0100745 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.1 C1CCN(C1)C=O CUR-0050422 [0,1,0,1,0,0|1,1,0]=4 317 B7R1.1 C1CNCC1CF CUR-0122530 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.1 C1COC(O1)CBr CUR-0102803 [0,1,0,1,0,0|1,1,0]=4 319 B7R1.1 C1COCC1C#N CUR-0018666 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.1 C1COCC1C=O CUR-0082585 [0,1,0,1,0,0|1,1,0]=4 321 B7R1.1 C1COCC1CBr CUR-0003563 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.1 C1COCC1CI CUR-0015713 [0,1,0,1,0,0|2,0,0]=4 323 B7R1.1 C1COCC1CN CUR-0021455 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.1 C1COCC1CO CUR-0101139 [0,1,0,1,0,0|1,1,0]=4 325 B7R1.1 CNC1CCCC1 CUR-0011121 [0,1,0,1,0,0|1,0,0]=3 326 B7R1.1 CNC1CCOC1 CUR-0020484 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.1 COC1=NCCC1 CUR-0119549 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.1 CSC1CCNC1 CUR-0121753 [0,1,0,1,0,0|1,0,0]=3 329 B7R1.2 CC1CCC(=O)N1 CUR-0016557 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.2 CC1CCC(=O)O1 CUR-0101591 [0,1,0,1,0,0|0,1,1]=4 331 B7R1.3 C1CC(CNC1)O CUR-0101604 [0,1,0,1,0,0|0,1,0]=3 332 B7R1.3 C1CC(COC1)N CUR-0090441 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.3 C1CCC(=O)CC1 CUR-0013382 [0,1,0,1,0,0|0,1,1]=4 334 B7R1.3 C1CCC(CC1)Br CUR-0027491 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.3 C1CCC(CC1)N CUR-0004167 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.3 C1CCC(CC1)O CUR-0020069 [0,1,0,1,0,0|0,1,0]=3 337 B7R1.3 C1CCNC(=O)C1 CUR-0002331 [0,1,0,1,0,0|0,1,1]=4 338 B7R1.3 C1CNCCC1=O CUR-0009294 [0,1,0,1,0,0|0,1,1]=4 339 B7R1.3 C1CNCCC1=O CUR-0102475 [0,1,0,1,0,0|0,1,1]=4 340 B7R1.3 C1CNCCC1O CUR-0021573 [0,1,0,1,0,0|0,1,0]=3 341 B7R1.3 C1COCCC1=O CUR-0001478 [0,1,0,1,0,0|0,1,1]=4 342 B7R1.3 C1COCCC1O CUR-0101618 [0,1,0,1,0,0|0,1,0]=3 343 B7R1.3 C1COCCN1N CUR-0101622 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.3 C1CSCCC1=O CUR-0005576 [0,1,0,1,0,0|0,1,1]=4 345 B7R1.3 C1CSCCC1N CUR-0026582 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.3 CC1CCCCN1 CUR-0101581 [0,1,0,1,0,0|1,0,0]=3 347 B7R1.3 CC1CCCNC1 CUR-0013551 [0,1,0,1,0,0|1,0,0]=3 348 B7R1.3 CC1CCNCC1 CUR-0000849 [0,1,0,1,0,0|1,0,0]=3 349 B7R1.3 CC1CNCCN1 CUR-0101598 [0,1,0,1,0,0|1,0,0]=3 350 B7R1.3 CN1CCNCC1 CUR-0017087 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.3 CN1CCOCC1 CUR-0027520 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.4 C1CC(C(C1)F)O CUR-0014122 [0,1,0,1,0,0|0,1,0]=3 353 B7R1.4 C1CSC(=O)C1N CUR-0025625 [0,1,0,1,0,0|1,0,1]=4 354 B7R1.4 CN1CCCC1=O CUR-0101576 [0,1,0,1,0,0|0,1,1]=4 355 B7R1.6 CCNC1CCC1 CUR-0028770 [0,1,0,1,0,0|2,0,0]=4 356 B7R1.22 C1CC1C(=O)CBr CUR-0027626 [0,1,0,1,0,0|0,1,1]=4 357 B7R1.22 C1CC1C(CN)O CUR-0022173 [0,1,0,1,0,0|0,1,0]=3 358 B7R1.22 CC(C1CC1)NN CUR-0014382 [0,1,0,1,0,0|1,0,0]=3 359 B7R1.22 COC(=O)C1CC1 CUR-0101589 [0,1,0,1,0,0|0,1,1]=4 360 B7R1.25 CC1(COC1)CO CUR-0022359 [0,1,0,1,0,0|1,1,0]=4 361 B7R1.16 C1C(CC1(F)F)Br CUR-0153406 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.16 C1C(CC1(F)F)N CUR-0094538 [0,1,0,1,0,0|2,0,0]=4 363 B7R1.7 C1CC1NCCO CUR-0001656 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.7 C1CC1OCCCl CUR-0010646 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.7 CCOCC1CO1 CUR-0006249 [0,1,0,1,0,0|0,1,0]=3 366 B7R1.14 C1CCS(=O)(=O)C1 CUR-0001027 [0,1,0,1,0,0|1,1,0]=4 367 B7R1.14 CC1(CCCN1)C CUR-0020922 [0,1,0,1,0,0|1,0,0]=3 368 B7R1.14 CC1(COCN1)C CUR-0101605 [0,1,0,1,0,0|2,0,0]=4 369 B7R2.13 C1C2C(O2)CO1 CUR-0101497 [0,0,0,2,0,0|1,1,0]=4 370 B7R2.13 C1CC2C(C1)O2 CUR-0001673 [0,0,0,2,0,0|0,1,0]=3 371 B7R2.13 C1CNC2C1C2 CUR-0015592 [0,0,0,2,0,0|1,0,0]=3