0 B9R0.7 O=C(O)CC[C@H](O)C(=O)O FD21404 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.7 [15NH2]C(=O)CC[C@H]([15NH2])C(=O)O 41401 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [1,0,0,0,0,0|2,0,1]=4 3 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [1,0,0,0,0,0|2,0,1]=4 4 B8R0.9 CNC(=O)NCC(=O)O AT23077 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.9 NNC(=O)NCC(=O)O E70069 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.9 [15NH2]CC(=O)CCC(=O)O D98679 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.28 CC(=O)CCCC(C)=O AC9369 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.28 NC(=O)NCCC(=O)O A12540 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.82 CNC(=O)CC[C@H](N)C(=O)O AC6186 [0,1,0,0,0,0|2,0,1]=4 10 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 43932 [0,1,0,0,0,0|1,0,1]=3 11 B10R0.93 CC(CC(C)C(=O)O)C(=O)O AC5543 [0,1,0,0,0,0|1,0,1]=3 12 B10R0.93 NC(CC(F)C(=O)O)C(=O)O D87862 [0,1,0,0,0,0|1,0,1]=3 13 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,0,0,1,0,0|2,0,1]=4 14 B10R1.211 O=C(O)CCC(=O)C1CC1 C15943 [0,0,0,1,0,0|2,0,1]=4 15 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21180 [0,0,0,0,1,0|2,0,1]=4 16 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] C15723 [0,0,0,0,1,0|1,0,2]=4 17 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 12185 [0,0,0,0,1,0|1,0,1]=3 18 B8R0.23 O=C(O)C[C@H](F)C(=O)O AC5755 [0,0,0,0,1,0|1,0,1]=3 19 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [0,0,0,0,1,0|2,0,1]=4 20 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [0,0,0,0,1,0|1,0,1]=3 21 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10136 [0,0,0,0,0,1|2,0,1]=4 22 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10137 [0,0,0,0,0,1|2,0,1]=4 23 B10R0.96 NC(=O)CC[C@H](N)CC(=O)O FD10301 [0,0,0,0,0,1|2,0,1]=4 24 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O F12352 [0,0,0,0,0,1|1,0,1]=3 25 B10R0.96 N[C@@H](CCC(=O)O)CC(=O)O FD10280 [0,0,0,0,0,1|1,0,1]=3 26 B10R0.98 C[C@H](N)C(=O)NCCC(=O)O C15923 [0,0,0,0,0,1|2,0,1]=4 27 B10R0.98 O=C(O)CCC[C@H](O)C(=O)O AC1615 [0,0,0,0,0,1|0,0,2]=3 28 B7R0.5 CCCC(=O)C(N)=O AC9508 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.6 C=C(Br)CCC(=O)O C11119 [2,0,0,0,0,0|1,0,0]=3 30 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.47 CCCCCC(=O)C(=O)O A11260 [1,1,0,0,0,0|1,0,1]=4 32 B9R0.56 O=C(O)CCCP(=O)(O)O T72478 [1,1,0,0,0,0|1,0,1]=4 33 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O AT23394 [0,1,0,0,1,0|0,0,2]=4 34 B9R0.11 O=C(O)CC(F)(F)C(=O)O AT12559 [0,1,0,0,1,0|1,0,1]=4 35 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 56271 [0,1,0,0,1,0|0,0,2]=4 36 B9R0.79 [2H]\C(C(=O)O)=C(/[2H])C(=O)O D99683 [0,1,0,0,1,0|1,0,1]=4 37 B9R0.79 [2H]\C(C(=O)O)=C(\[2H])C(=O)O D97878 [0,1,0,0,1,0|1,0,1]=4 38 B11R0.107 COC(=O)CCC(=O)CC(C)=O H11533 [0,1,0,0,0,1|1,0,0]=3 39 B11R0.120 COC(=O)CC[C@H](C)C(=O)OC T71529 [0,2,0,0,0,0|1,0,1]=4 40 B11R0.120 COC(=O)CC[C@H](O)C(=O)OC W17109 [0,2,0,0,0,0|0,0,2]=4 41 B9R1.53 O=C(O)C[C@H]1CC(=O)N1 AT19045 [1,0,0,1,0,0|1,0,1]=4 42 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O P18271 [1,0,0,1,0,0|0,0,1]=3 43 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 C16422 [0,0,0,1,0,1|1,0,1]=4 44 B11R1.849 COC(=O)[C@H]1C[C@@H]1CC(=O)O AT10295 [0,1,0,1,0,0|1,0,1]=4 45 B11R1.849 COC(=O)[C@H]1C[C@@H]1CC(=O)O F50589 [0,1,0,1,0,0|1,0,1]=4 46 B9R0.55 O=C(O)CCCC[13C](=O)O D98793 [1,0,0,0,0,1|0,0,1]=3