0 B7R0.6 C(CC(=O)O)C(=O)O LS40373 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.6 C(CC(=O)[O-])C(=O)[O-] LS40932 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 CC(C)CCC(C)N LS41494 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.4 B(CCCC)(O)O LS11153 [1,0,0,0,0,0|1,0,1]=3 5 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 C=CCCC(=O)O LS41473 [1,0,0,0,0,0|0,0,2]=3 7 B8R0.9 C(CC(=O)O)C(=O)CN LS41389 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.29 C(CS(=O)(=O)N)C(=O)O LS41699 [0,1,0,0,0,0|3,0,0]=4 9 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N LS30035 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.3 C1[C@@H](CC[C@H](C1)O)O LS30275 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.3 CN1CCC(CC1)O LS40375 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.23 C1C(CC1=O)C(=O)O LS00009 [0,0,0,1,0,0|1,0,1]=3 14 B6R0.2 B(CC(C)C)(O)O LS40457 [0,0,0,0,1,0|1,0,1]=3 15 B6R0.2 CC(C)CC(C)N LS41472 [0,0,0,0,1,0|2,0,1]=4 16 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,1,0|1,0,0]=2 17 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,1,0|1,0,0]=2 18 B8R0.28 C(CC(=O)O)CC(=O)O LS41863 [0,0,0,0,0,1|2,0,1]=4 19 B8R0.28 CC(C)CCCC(C)N LS41468 [0,0,0,0,0,1|2,0,1]=4 20 B8R0.28 CN(C)C\C=C\C(=O)O LS41142 [0,0,0,0,0,1|1,0,1]=3 21 B5R0.1 B(CCC)(O)O LS11148 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.1 C(CCl)C(=O)Cl LS40026 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.1 C(CO)C(=O)O LS40008 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.1 CC#CC(=O)O LS40078 [2,0,0,0,0,0|0,0,2]=4 25 B5R0.1 CC(CCO)N LS41893 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.1 CCC[C@@H](C)O LS30259 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 CCC[C@H](C)O LS30258 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CN(C)CCCl LS41162 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 C[C@@H](CCO)N LS30207 [2,0,0,0,0,0|1,0,0]=3 30 B5R0.1 C[C@H](CCO)N LS30127 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.2 C(CCF)CO LS40657 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.2 C=CCCCBr LS20766 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.2 COC(=O)CC(=O)O LS41603 [1,1,0,0,0,0|1,0,1]=4 34 B7R0.4 B(CCCCC)(O)O LS11156 [1,1,0,0,0,0|1,0,1]=4 35 B7R0.4 C(CCCl)CC(=O)Cl LS40493 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.4 CCCCCC(=O)Cl LS40461 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.4 CCC\C=C\C(=O)C LS41924 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.4 CCO\C=C\C(=O)O LS40208 [1,1,0,0,0,0|0,0,2]=4 39 B7R0.5 C(CN)C(C(=O)O)N LS40104 [1,1,0,0,0,0|1,0,0]=3 40 B7R0.5 CCC[C@@H](C(=O)O)N LS30304 [1,1,0,0,0,0|0,0,0]=2 41 B7R0.8 C(CN)CP(=O)(O)O LS40178 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.8 C(CN)CS(=O)(=O)O LS41859 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.9 C(C(=O)O)C(F)(F)F LS40953 [0,1,0,0,1,0|2,0,0]=4 44 B9R0.7 C[C@H](CSC(=O)C)C(=O)O LS30262 [0,1,0,0,0,1|1,0,1]=4 45 B9R0.23 CC(C)C[C@@H](C(=O)OC)N LS30189 [0,2,0,0,0,0|0,0,0]=2 46 B7R1.2 C1C(OC(=O)O1)F LS40377 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.2 C1CC(=O)CC1=O LS41637 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.2 C1[C@@H](COC1=O)O LS30540 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [1,0,0,1,0,0|1,0,0]=3 52 B7R1.3 C1CC(=O)CNC1 LS20136 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.3 C1CC(=O)CNC1 LS20876 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.3 C1CCS(=O)CC1 LS40520 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.3 C1CNC(=O)CN1 LS20789 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.3 C1COC(=O)CO1 LS40469 [1,0,0,1,0,0|1,0,0]=3 57 B7R1.3 C1COCC(=O)N1 LS20467 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 C1COCCC1=O LS40242 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.3 C1CSCCC1=O LS40396 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.3 C[C@@H]1COCCN1 LS30002 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.3 C[C@@H]1COCCN1 LS30011 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.3 C[C@H]1COCCN1 LS30012 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.3 C[C@H]1COCCN1 LS30156 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.18 C1C(CN1)C(=O)O LS41152 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O LS30143 [0,0,0,1,0,1|1,0,0]=3 67 B9R1.49 CN1CCCC(=O)CC1 LS40279 [0,0,0,1,0,1|2,0,0]=4 68 B9R1.66 CC1(CC(=O)CCO1)C LS20174 [0,0,0,1,0,1|1,0,0]=3 69 B9R1.1 CCN1CCC(=O)CC1 LS21102 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.1 COC1CCC(=O)CC1 LS40609 [0,1,0,1,0,0|1,0,0]=3 71 B9R1.69 CC1CN(CCC1=O)C LS40400 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.138 CC1(CNC(=O)C1=O)C LS40979 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.138 CC1(CNC(=O)C1O)C LS40982 [0,1,0,1,0,0|1,0,0]=3 74 B5R0.5 B(C(C)C)(O)O LS11150 [0,0,0,0,2,0|1,0,1]=4 75 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,2,0|1,0,1]=4 76 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,2,0|1,0,0]=3 77 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,2,0|1,0,0]=3 78 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,2,0|1,0,0]=3