0 B6R0.3 CCC(Br)C(=O)O HY-W015333R [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CCC(N)C(=O)O HY-W010590R [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 C[C@@H](CN)C(=O)O HY-113380R [0,0,0,0,0,0|2,0,0]=2 3 B6R0.3 C\C=C(/C)C(=O)O HY-W012999R [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 N[13C@@H](CO)C(=O)O HY-N0650S4 [0,0,0,0,0,0|0,1,0]=1 5 B6R0.3 N[C@H](CS)C(=O)O HY-W018555R [0,0,0,0,0,0|0,0,0]=0 6 B5R0.3 O=C[C@H](O)CO HY-W008507 [1,0,0,0,0,0|1,1,0]=3 7 B5R0.3 O=[13CH][13CH](O)[13CH2]O HY-128748S4 [1,0,0,0,0,0|1,1,0]=3 8 B5R0.5 CC(=O)N(C)C HY-W042416R [1,0,0,0,0,0|3,0,0]=4 9 B5R0.5 C[13C@H](O)C(=O)O HY-Y0479S3 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.5 CCCC(=O)C(=O)O HY-113098R [0,1,0,0,0,0|2,0,1]=4 11 B7R0.5 NCC[C@H](N)C(=O)O HY-101414R [0,1,0,0,0,0|1,0,0]=2 12 B7R0.13 CC(N)(CO)C(=O)O HY-W012873 [0,1,0,0,0,0|0,1,0]=2 13 B7R0.15 CCC(CC)C(=O)O HY-W004154R [0,1,0,0,0,0|2,0,0]=3 14 B7R0.16 CC(C)C(O)C(=O)O HY-W008150R [0,1,0,0,0,0|2,0,0]=3 15 B7R0.16 CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [0,1,0,0,0,0|0,1,0]=2 17 B7R0.16 [13CH3][13CH]([13C](=O)O)[13C](=O)O HY-103395S1 [0,1,0,0,0,0|1,1,1]=4 18 B7R1.4 N[C@H]1CONC1=O HY-B1122R [0,0,0,1,0,0|1,1,0]=3 19 B4R0.1 C=CC(=O)O HY-W243303J [2,0,0,0,0,0|0,0,2]=4 20 B4R0.1 CC(O)CN HY-W015969R [2,0,0,0,0,0|1,0,1]=4 21 B4R0.1 CC[C@@H](C)O HY-W087952R [2,0,0,0,0,0|1,0,1]=4 22 B4R0.1 C[C@H](O)CO HY-79334R [2,0,0,0,0,0|1,0,1]=4 23 B4R0.2 CCO[13CH]=O HY-W747621 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723R [1,1,0,0,0,0|0,1,0]=3 25 B6R0.5 O=S(=O)(O)CCS HY-157881 [1,1,0,0,0,0|1,0,0]=3 26 B6R0.7 CC(C)(N)C(=O)O HY-Y0124R [1,1,0,0,0,0|0,0,0]=2 27 B8R0.2 CCC(O)C(N)C(=O)O HY-W142133 [0,1,0,0,0,1|2,0,0]=4 28 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O HY-I1060R [0,1,0,0,0,1|2,0,0]=4 29 B8R0.19 O=C(C[C@H](O)CO)O[Na] HY-W671225 [0,1,0,0,0,1|1,1,0]=4 30 B8R0.23 NC(CC(=O)O)C(=O)O HY-W015824R [0,1,0,0,0,1|0,1,1]=4 31 B8R0.23 N[C@@H]([13CH2]C(=O)O)C(=O)O HY-N0666S10 [0,1,0,0,0,1|0,1,1]=4 32 B8R0.23 N[C@H](CC(=O)O)C(=O)O HY-42068R [0,1,0,0,0,1|0,1,1]=4 33 B8R0.8 CSCCC(N)C(=O)O HY-N0325R [0,2,0,0,0,0|0,0,0]=2 34 B8R0.8 CSCC[C@@H](N)C(=O)O HY-13694R [0,2,0,0,0,0|0,0,0]=2 35 B8R0.27 CC(C)(S)C(N)C(=O)O HY-W017457R [0,2,0,0,0,0|0,0,0]=2 36 B8R0.27 CC(C)[C@H](N)P(=O)(O)O HY-W795259 [0,2,0,0,0,0|2,0,0]=4 37 B6R1.2 O=C1CCOC1 HY-33900R [1,0,0,1,0,0|1,1,0]=4 38 B8R1.7 O=C(O)C1CSCN1 HY-B1169R [0,1,0,1,0,0|0,0,0]=2 39 B8R1.23 O=C1C[C@H](C(=O)O)N1 HY-W061629 [0,1,0,1,0,0|0,1,0]=3 40 B8R0.9 C=CC(N)CCC(=O)O HY-15399R [0,0,0,0,0,2|1,0,1]=4