0 B7R0.4 NCCNCC(=O)O HY-W012883 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.4 O=C(O)COCCO HY-W591338A [0,0,0,0,0,0|3,0,0]=3 2 B7R0.4 O=C(O)COCCO HY-W591338B [0,0,0,0,0,0|3,0,0]=3 3 B7R0.4 O=C(O)COCCS HY-140728 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.4 C#CCCC(=O)O HY-Y1230 [1,0,0,0,0,0|1,0,2]=4 5 B8R0.7 C#CCCCCC(=O)O HY-34643 [0,1,0,0,0,0|1,0,1]=3 6 B8R0.7 CC(=O)NCCCCN HY-W342604R [0,1,0,0,0,0|1,0,0]=2 7 B8R0.7 CCCC\C=C\C(=O)O HY-W107869 [0,1,0,0,0,0|1,0,1]=3 8 B8R0.7 CS(=O)CCCN=C=S HY-101413 [0,1,0,0,0,0|2,0,1]=4 9 B8R0.7 NCCCCCC(=O)O HY-B0236 [0,1,0,0,0,0|1,0,0]=2 10 B8R0.7 NCCCNCC(=O)O HY-W077223 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.7 O=C(O)CCCCCO HY-W105750 [0,1,0,0,0,0|1,0,0]=2 12 B8R0.7 O=C(O)CCOCCBr HY-130425 [0,1,0,0,0,0|2,0,0]=3 13 B8R0.8 C#CCCC(N)C(=O)O HY-W259668 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.8 C#CCC[C@H](N)C(=O)O HY-140345A [0,1,0,0,0,0|1,0,2]=4 15 B8R0.8 CCCC[C@H](N)C(=O)O HY-Y0017R [0,1,0,0,0,0|1,0,0]=2 16 B8R0.8 NOCC[C@H](N)C(=O)O HY-129476 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.8 N[13CH2][13CH2][13CH2][13C@H](N)[13C](=O)O HY-W017018S2 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.8 [13CH3]SCC[C@H](N)C(=O)O HY-N0326S3 [0,1,0,0,0,0|2,0,0]=3 19 B8R0.8 [13CH3]S[13CH2][13CH2][13C@H](N)[13C](=O)O HY-N0326S5 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.9 C=CC(N)CCC(=O)O HY-15399 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.9 NCC(=O)CCC(=O)O HY-W000450 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.21 NCCCCP(=O)(O)O HY-W018502 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.21 [2H]C([2H])(O)CCCCC HY-W032022S2 [0,1,0,0,0,0|1,0,2]=4 24 B8R1.4 CC1CCN=C(N)S1 HY-101251 [0,0,0,1,0,0|2,1,0]=4 25 B8R1.7 O=C(O)[C@@H]1CCC[15NH]1 HY-Y0252S2 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.7 O=[13C](O)[13C@@H]1[13CH2][13CH2][13CH2]N1 HY-Y0252S [0,0,0,1,0,0|2,0,0]=3 27 B5R0.1 CNCC(=O)O HY-W012791 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 C\C=C\C(C)=O HY-34748 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.1 [15NH2]CCC(=O)O HY-N0230S1 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.2 C=CCCCO HY-W010639 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.2 NC[C@H](O)CC(=O)O HY-W005749 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.2 N[C@H](CO)CC(=O)O HY-W040432 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.2 O=C([O-])C[C@H](O)CO HY-113304A [1,1,0,0,0,0|2,0,0]=4 34 B7R0.3 CCC(=O)OCOC HY-41616 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.3 CCCCC(=O)O[Na] HY-W007087 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.5 COCC(N)C(=O)O HY-W012871 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.5 N[C@H](CCS)C(=O)O HY-77801 [1,1,0,0,0,0|2,0,0]=4 38 B7R0.6 C[S+](C)CCC(=O)O HY-W105506 [1,1,0,0,0,0|2,0,0]=4 39 B7R0.1 C=CCCCCCO HY-W127475 [1,1,0,0,0,0|0,0,1]=3 40 B7R0.1 COCCOCCBr HY-133277 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.1 COCCOCCO HY-140697 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.1 COCCOCCS HY-140707 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.1 COCCOCCS HY-140709 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.14 CCC[C@@H](CBr)CC(=O)O HY-Z6843 [0,2,0,0,0,0|1,0,0]=3 45 B9R0.34 CCCC(=O)CC(=O)OC HY-W005176 [0,2,0,0,0,0|0,0,1]=3 46 B9R0.47 CCCCCC(C)C(=O)O HY-W015664 [0,2,0,0,0,0|0,0,1]=3 47 B9R0.47 CCSCCC(N)C(=O)O HY-W017202 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.47 CCSCC[C@H](N)C(=O)O HY-W017200 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.47 CC[Se]CCC(N)C(=O)O HY-W585825 [0,2,0,0,0,0|1,0,0]=3 50 B9R0.47 CNCCC[C@H](N)C(C)=O HY-126436A [0,2,0,0,0,0|0,0,0]=2 51 B9R0.47 NCCCC[C@@H](N)C(=O)O HY-Y1804 [0,2,0,0,0,0|1,0,0]=3 52 B9R0.47 NCCCC[C@H](N)C(=O)O HY-N0469R [0,2,0,0,0,0|1,0,0]=3 53 B9R0.47 NCCCC[C@H](N)[13C](=O)O HY-N0470S2 [0,2,0,0,0,0|1,0,0]=3 54 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O HY-W009762S7 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.47 [15NH2]CCCC[C@H]([15NH2])C(=O)O HY-N0470S [0,2,0,0,0,0|1,0,0]=3 56 B9R0.47 [C@H](N)(CCCCN)C(=O)O HY-W014606 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.2 CC(=O)OCCOCCO HY-W096086 [0,2,0,0,0,0|1,0,0]=3 58 B9R0.2 CCCCCCC[13C](=O)O HY-41417S3 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.2 CCCC[13CH2][13CH2][13CH2][13C](=O)O HY-41417S4 [0,2,0,0,0,0|1,0,0]=3 60 B9R0.2 CS(=O)CCCCN=C=S HY-13755 [0,2,0,0,0,0|1,0,1]=4 61 B9R0.2 C[S@@](=O)CCCCN=C=S HY-13755A [0,2,0,0,0,0|1,0,1]=4 62 B9R0.2 NCCCCCCC(=O)O HY-W002042 [0,2,0,0,0,0|1,0,0]=3 63 B9R0.55 O=[13C](O)[13CH2][13CH2][13CH2][13CH2][13C](=O)O HY-W017522S1 [0,2,0,0,0,0|1,0,1]=4 64 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O HY-129770A [0,2,0,0,0,0|2,0,0]=4 65 B7R1.3 CC1=CCCCC1 HY-W004338 [1,0,0,1,0,0|1,0,0]=3 66 B7R1.1 O=CN1CCCC1 HY-W102648 [1,0,0,1,0,0|1,0,0]=3 67 B7R1.1 O=NN1CCCC1 HY-W141077 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.4 CC1OCCC1=O HY-W010608 [1,0,0,1,0,0|1,0,0]=3 69 B9R1.3 CC1C(=O)CCCC1=O HY-W018778 [0,1,0,1,0,0|1,0,1]=4 70 B9R1.6 O=C(O)C1CCCCN1 HY-Y0669 [0,1,0,1,0,0|1,0,0]=3 71 B9R1.163 C[C@@]1(C(=O)O)CCCN1 HY-76962 [0,1,0,1,0,0|2,0,0]=4