0 B5R0.5 CC(=O)N(C)C HY-W042416R [0,0,0,0,0,0|3,0,0]=3 1 B5R0.5 C[13C@H](O)C(=O)O HY-Y0479S3 [0,0,0,0,0,0|0,0,0]=0 2 B4R0.1 C=CC(=O)O HY-W243303J [1,0,0,0,0,0|0,0,2]=3 3 B4R0.1 C=CC(N)=O HY-W115727D [1,0,0,0,0,0|1,0,2]=4 4 B4R0.1 CC(O)CN HY-W015969R [1,0,0,0,0,0|1,0,1]=3 5 B4R0.1 CC[C@@H](C)O HY-W087952R [1,0,0,0,0,0|1,0,1]=3 6 B4R0.1 C[C@H](O)CO HY-79334R [1,0,0,0,0,0|0,0,1]=2 7 B4R0.1 O=P(=O)OO HY-B2243H [1,0,0,0,0,0|2,0,1]=4 8 B6R0.3 CCC(Br)C(=O)O HY-W015333R [0,1,0,0,0,0|1,0,0]=2 9 B6R0.3 CCC(N)C(=O)O HY-W010590R [0,1,0,0,0,0|1,0,0]=2 10 B6R0.3 CN(N=O)C(N)=O HY-34758R [0,1,0,0,0,0|2,0,1]=4 11 B6R0.3 COC(=O)C(C)C HY-172377A [0,1,0,0,0,0|1,0,0]=2 12 B6R0.3 C[C@@H](CN)C(=O)O HY-113380R [0,1,0,0,0,0|1,0,0]=2 13 B6R0.3 C\C=C(/C)C(=O)O HY-W012999R [0,1,0,0,0,0|1,0,1]=3 14 B6R0.3 N[13C@@H](CO)C(=O)O HY-N0650S4 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.3 N[C@H](CS)C(=O)O HY-W018555R [0,1,0,0,0,0|1,0,0]=2 16 B6R0.7 CC(=O)C(Cl)(Cl)Br HY-133630 [0,1,0,0,0,0|3,0,0]=4 17 B6R0.7 CC(C)(N)C(=O)O HY-Y0124R [0,1,0,0,0,0|1,0,0]=2 18 B6R0.2 CC(=O)NC(C)=O HY-W130303 [0,0,0,0,0,1|1,0,2]=4 19 B6R0.2 C[C@@H](O)CC(=O)O HY-W051723R [0,0,0,0,0,1|0,0,0]=1 20 B6R0.2 O=C(O)C=C(Br)Br HY-133653 [0,0,0,0,0,1|2,0,1]=4 21 B3R0.1 O=CC=O HY-Y0785 [2,0,0,0,0,0|0,0,2]=4 22 B3R0.1 OCCO HY-Y0873B1 [2,0,0,0,0,0|0,0,1]=3 23 B5R0.3 CCC(=O)O[Na] HY-B1773AR [1,1,0,0,0,0|0,0,0]=2 24 B5R0.3 O=C(CO)CO HY-Y0335R [1,1,0,0,0,0|0,0,0]=2 25 B5R0.3 O=C[C@H](O)CO HY-W008507 [1,1,0,0,0,0|0,0,0]=2 26 B5R0.3 O=[13CH][13CH](O)[13CH2]O HY-128748S4 [1,1,0,0,0,0|0,0,0]=2 27 B7R0.2 C[C@@H](O)CC(=O)O[Na] HY-W015851R [0,1,0,0,0,1|0,0,0]=2 28 B7R0.9 CC(=O)CC(C)(C)N HY-N3739 [0,1,0,0,0,1|2,0,0]=4 29 B7R0.16 CC(C)C(O)C(=O)O HY-W008150R [0,1,0,0,0,1|1,0,0]=3 30 B7R0.16 CC(C)[C@H]([15NH2])[13C](=O)O HY-N0717S7 [0,1,0,0,0,1|1,0,0]=3 31 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O HY-N0658AR [0,1,0,0,0,1|0,0,0]=2 32 B7R0.16 [13CH3][13CH]([13C](=O)O)[13C](=O)O HY-103395S1 [0,1,0,0,0,1|1,0,1]=4 33 B7R0.5 CCCC(=O)C(=O)O HY-113098R [0,2,0,0,0,0|0,0,2]=4 34 B7R0.5 CCOC(=O)C(C)=O HY-Y1362R [0,2,0,0,0,0|0,0,2]=4 35 B7R0.5 NCC[C@H](N)C(=O)O HY-101414R [0,2,0,0,0,0|1,0,0]=3 36 B7R0.13 CC(N)(CO)C(=O)O HY-W012873 [0,2,0,0,0,0|0,0,0]=2 37 B7R0.14 O=[13C](O[Na])C(F)(F)F HY-W754811 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.15 CCC(CC)C(=O)O HY-W004154R [0,2,0,0,0,0|1,0,0]=3 39 B7R1.4 N[C@H]1CONC1=O HY-B1122R [0,1,0,1,0,0|1,0,0]=3 40 B7R0.6 O=C(O)[13CH2][13CH2]C(=O)O HY-N0420S4 [0,0,0,0,0,2|1,0,1]=4