0 B8R0.28 C(C(=O)O)NCC(=O)O CUR-0102003 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 C(C(=O)O)SCC(=O)O CUR-0008007 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 C(CC(=O)O)CC(=O)O CUR-0012316 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 CC(C)CNCC(C)C CUR-0100841 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(CNCC(C)O)O CUR-0102020 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 C#CCNCC(=O)O CUR-0123529 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 C(CCBr)CC(=O)O CUR-0103088 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 C(CCN)CC(=O)O CUR-0018281 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.4 C(CN=[N+]=[N-])C(=O)O CUR-0027706 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 C=CCOCC(=O)O CUR-0014777 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CC(C)OCCCN CUR-0101773 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.4 CC(C)OCCCO CUR-0010579 [1,0,0,0,0,0|1,0,1]=3 12 B7R0.4 CCCCNC(=O)N CUR-0101762 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CCCCOC(=O)C CUR-0026180 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CN(C)CCN=C=O CUR-0000295 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.1 COC(=O)CCCC(=O)Cl CUR-0102733 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 C(CC(=O)N)[C@@H](C(=O)O)N CUR-0100985 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.7 C(CC(=O)O)[C@@H](C(=O)O)N CUR-0013957 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.56 C(C(=O)O)NCC(F)(F)F CUR-0015253 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.56 CC(=O)OCC[N+](C)(C)C CUR-0104003 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.56 CS(=O)(=O)NCCC(=O)O CUR-0021931 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] CUR-0099158 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] CUR-0102281 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.35 C1C(CNC1=O)C(=O)O CUR-0006587 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.35 C1C(CNC1C(=O)O)O CUR-0100797 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.35 C1CC(=O)NC1C(=O)O CUR-0013033 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.35 C1CC(=O)N[C@H]1C(=O)O CUR-0014319 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.35 C1[C@@H](CN[C@@H]1C(=O)O)O CUR-0003674 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.35 C1[C@H](CN[C@@H]1C(=O)O)O CUR-0013245 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.35 CC(C)C1CC(=O)NC1 CUR-0098576 [0,0,0,1,0,0|2,0,0]=3 30 B9R1.35 CC(C)C1COC(=O)N1 CUR-0050365 [0,0,0,1,0,0|2,0,0]=3 31 B9R1.53 C1C(CC1=O)CC(=O)O CUR-0138479 [0,0,0,1,0,0|1,0,1]=3 32 B9R1.66 C1CC(CS(=O)(=O)C1)N CUR-0010433 [0,0,0,1,0,0|2,0,1]=4 33 B7R0.6 C(CC(=O)O)C(=O)O CUR-0014664 [0,0,0,0,1,0|2,0,1]=4 34 B7R0.6 CC(=O)CCC(=O)C CUR-0022649 [0,0,0,0,1,0|2,0,1]=4 35 B7R0.6 CC(=O)CCC(=O)O CUR-0012941 [0,0,0,0,1,0|1,0,1]=3 36 B7R0.6 CC(=O)NCC(=O)O CUR-0024688 [0,0,0,0,1,0|2,0,1]=4 37 B7R0.6 CC(C)COC(=O)Cl CUR-0020162 [0,0,0,0,1,0|2,0,0]=3 38 B9R0.55 C(CCC(=O)O)CC(=O)O CUR-0025315 [0,0,0,0,0,1|2,0,1]=4 39 B6R0.4 C(CC(=O)Cl)CBr CUR-0103177 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.4 C(CC(=O)Cl)CCl CUR-0020663 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 C(CC(=O)O)CN CUR-0010241 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.4 C=CCCC(=O)O CUR-0101586 [2,0,0,0,0,0|0,0,2]=4 43 B6R0.4 CC(=O)CCCCl CUR-0004280 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CC(C)CCNN CUR-0019174 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CC(C)CCON CUR-0153393 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CC(C)CN=C=O CUR-0095337 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 CC(C)NCCO CUR-0101633 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.4 CCCCC(=O)C CUR-0101595 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 CCCCC(=O)Cl CUR-0101805 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.4 CCCCC(=O)O CUR-0101620 [2,0,0,0,0,0|0,0,0]=2 51 B6R0.4 CCOCC(=O)O CUR-0101637 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.4 CN(C)CCCN CUR-0101628 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CN(C)CCCO CUR-0020324 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.4 COCCC(=O)O CUR-0012995 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.6 C(CC=O)CC=O CUR-0101590 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.6 C(CCO)CCO CUR-0010266 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.6 CCCCCCBr CUR-0023541 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.6 CCCCCCC CUR-0101599 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 CCCCCCI CUR-0008970 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 CCCCCCN CUR-0100774 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 CCCCCCO CUR-0025713 [2,0,0,0,0,0|0,0,1]=3 62 B6R0.6 CCCCOC=C CUR-0002040 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.5 CC(CC(CCO)O)O CUR-0003071 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.5 CCOC(=O)CC(=O)O CUR-0100749 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.7 C(CCC(=O)O)CCBr CUR-0101245 [1,1,0,0,0,0|0,0,0]=2 66 B8R0.7 C(CCC(=O)O)CCN CUR-0025350 [1,1,0,0,0,0|0,0,0]=2 67 B8R0.7 C(CCC(=O)O)CCN CUR-0101191 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.7 C(CCC(=O)[O-])CCN CUR-0024211 [1,1,0,0,0,0|0,0,1]=3 69 B8R0.7 C(CCNC(=O)N)CN CUR-0085699 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.7 C(CNCC(=O)O)C#N CUR-0008959 [1,1,0,0,0,0|1,0,1]=4 71 B8R0.7 CC(=O)OCCCCCl CUR-0102385 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.7 CCCCCCC(=O)O CUR-0013258 [1,1,0,0,0,0|0,0,0]=2 73 B8R0.8 C(C[C@@H](C(=O)O)N)CN CUR-0101406 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.8 CCCCC(C(=O)O)Br CUR-0103355 [1,1,0,0,0,0|0,0,0]=2 75 B8R0.8 CCCCC(C(=O)O)N CUR-0009588 [1,1,0,0,0,0|0,0,0]=2 76 B8R0.8 CSCCC(C(=O)O)N CUR-0020132 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.8 CSCC[C@@H](C(=O)O)N CUR-0122285 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.9 COC(=O)CCC(=O)O CUR-0027389 [1,1,0,0,0,0|1,0,1]=4 79 B8R0.23 CC(C)CC(C(=O)O)N CUR-0101977 [0,1,0,0,1,0|0,0,0]=2 80 B8R0.23 CC(C)C[C@H](C(=O)O)N CUR-0101976 [0,1,0,0,1,0|0,0,0]=2 81 B8R0.29 C(CC(F)(F)F)C(=O)O CUR-0102178 [0,1,0,0,1,0|2,0,0]=4 82 B10R0.98 CC(C)CCC[C@@H](C(=O)O)N CUR-0017303 [0,1,0,0,0,1|0,0,0]=2 83 B10R0.92 C(CC(F)(F)F)C(C(=O)O)N CUR-0018642 [0,2,0,0,0,0|2,0,0]=4 84 B10R0.93 CC(C)C(=O)NC(C)C(=O)O CUR-0019406 [0,2,0,0,0,0|1,0,1]=4 85 B8R1.1 C1CC(=O)NC1CN CUR-0094491 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.1 C1CC(=O)NC1CO CUR-0028114 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.4 C1CC(=O)CC(=O)C1 CUR-0019886 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.4 C1CC(=O)OC(=O)C1 CUR-0009916 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.4 CC1CCCC(=O)C1 CUR-0101702 [1,0,0,1,0,0|0,0,0]=2 90 B8R1.4 CC1CCCC(C1)O CUR-0017679 [1,0,0,1,0,0|0,0,1]=3 91 B8R1.7 C1C=CCC1C(=O)O CUR-0017055 [1,0,0,1,0,0|0,0,2]=4 92 B8R1.7 C1CC(NC1)C(=O)O CUR-0028986 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.7 C1CC(OC1)C(=O)O CUR-0016168 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.7 C1CCC(C1)C(=O)O CUR-0019739 [1,0,0,1,0,0|0,0,0]=2 95 B8R1.7 C1CNCC1C(=O)N CUR-0028604 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.7 C1COCC1C(=O)O CUR-0024198 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.7 C1CSC(S1)C(=O)O CUR-0011824 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.7 C1C[C@@H](NC1)C(=O)O CUR-0100756 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.7 C1C[C@H](NC1)C(=O)N CUR-0101723 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.7 C1C[C@H](NC1)C(=O)O CUR-0101268 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.7 C1[C@H](NCS1)C(=O)O CUR-0102015 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.7 CC(C)C1CCNC1 CUR-0011983 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.19 CC1(CCCC1=O)C CUR-0099926 [1,0,0,1,0,0|0,0,0]=2 104 B8R1.19 CC1(CCCC1O)C CUR-0056939 [1,0,0,1,0,0|0,0,1]=3 105 B8R1.22 C1CC(=O)CCNC1 CUR-0099157 [1,0,0,1,0,0|2,0,0]=4 106 B8R1.22 C1CCC(=O)NCC1 CUR-0022015 [1,0,0,1,0,0|1,0,0]=3 107 B8R1.22 C1CCC(=O)OCC1 CUR-0101418 [1,0,0,1,0,0|0,0,0]=2 108 B8R1.22 C1CCCC(=O)CC1 CUR-0004176 [1,0,0,1,0,0|1,0,0]=3 109 B8R1.22 C1CNCCNC1=O CUR-0003886 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.3 C1CC(=O)NCC1N CUR-0023298 [0,0,0,1,1,0|2,0,0]=4 111 B8R1.3 C1CC(=O)NCC1N CUR-0094615 [0,0,0,1,1,0|2,0,0]=4 112 B8R1.3 CC1CCC(=O)CC1 CUR-0016613 [0,0,0,1,1,0|1,0,0]=3 113 B8R1.3 CC1CCC(CC1)O CUR-0005881 [0,0,0,1,1,0|1,0,1]=4 114 B8R1.3 CN1CCC(=O)CC1 CUR-0101707 [0,0,0,1,1,0|2,0,0]=4 115 B8R1.23 C1C(CC1=O)C(=O)O CUR-0097339 [0,0,0,1,1,0|1,0,1]=4 116 B10R1.113 C1CNC(=O)CC1C(=O)O CUR-0011374 [0,0,0,1,0,1|1,0,1]=4 117 B10R1.113 CN1CCCC(C1)C(=O)O CUR-0102217 [0,0,0,1,0,1|1,0,0]=3 118 B10R1.128 C1CC(C(C1)(F)F)C(=O)O CUR-0089587 [0,0,0,1,0,1|2,0,0]=4 119 B10R1.13 C1CC(=O)NCC1C(=O)O CUR-0014865 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.13 C1CC(CCC1C(=O)N)N CUR-0093520 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.13 CC(C)N1CCC(=O)CC1 CUR-0102166 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.13 CN1CCC(CC1)C(=O)O CUR-0028799 [0,1,0,1,0,0|1,0,0]=3 123 B10R1.31 CC(=O)N1CCC(C1)CO CUR-0017100 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.197 C1CC(=O)NCCC1CO CUR-0004047 [0,1,0,1,0,0|2,0,0]=4 125 B10R1.58 CN1CC(CC1=O)C(=O)O CUR-0027623 [0,1,0,1,0,0|1,0,1]=4 126 B10R1.359 C1CS(=O)(=O)CC1C(=O)O CUR-0001655 [0,1,0,1,0,0|2,0,0]=4 127 B10R1.329 CC1(CC(=O)CC(=O)C1)C CUR-0100822 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.329 CC1(OC(=O)CC(=O)O1)C CUR-0000277 [0,1,0,1,0,0|1,0,1]=4 129 B10R1.329 CC1CC(=O)CC(C1)(C)C CUR-0102146 [0,1,0,1,0,0|1,0,0]=3 130 B10R1.329 CC1CC(CC(C1)(C)C)O CUR-0017506 [0,1,0,1,0,0|1,0,1]=4 131 B10R1.371 C1C(CC1(F)F)CC(=O)O CUR-0138478 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.347 C1[C@@H]([C@H]1C(F)(F)F)C(=O)O CUR-0024736 [0,1,0,1,0,0|2,0,0]=4 133 B6R0.2 CC(=CC(=O)O)C CUR-0101587 [0,0,0,0,2,0|0,0,2]=4 134 B6R0.2 CC(C)CC(=O)C CUR-0017562 [0,0,0,0,2,0|1,0,0]=3 135 B6R0.2 CC(C)CC(=O)Cl CUR-0101806 [0,0,0,0,2,0|1,0,0]=3 136 B6R0.2 CC(C)CC(=O)O CUR-0017645 [0,0,0,0,2,0|0,0,0]=2 137 B6R0.2 CC(C)OC(=O)Cl CUR-0100902 [0,0,0,0,2,0|2,0,0]=4