0 B11R1.21 O=C(O)C1=CC=C(Br)C(O)=C1 HY-W003445 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(Cl)=C1 HY-Y0510 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 HY-78700 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996R [1,0,0,0,0,0|1,0,0]=2 4 B10R1.13 O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [1,0,0,0,0,0|0,0,0]=1 5 B10R1.13 O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [1,0,0,0,0,0|0,0,0]=1 6 B10R1.113 CC(N)C1=CC(O)=CC=C1 HY-70031 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [1,0,0,0,0,0|2,0,1]=4 9 B10R1.113 NC(=S)C1=CC(N)=CC=C1 HY-W128619 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.176 CCC1=CC=C(O)C(O)=C1 HY-W265757 [1,0,0,0,0,0|1,0,1]=3 13 B10R1.176 COC1=CC=C(O)C(N)=C1 HY-W001213 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.23 [2H]C([2H])([2H])C1=CC(O)=C(O)C=C1 HY-W012814S [0,1,0,0,0,0|2,0,1]=4 15 B12R1.56 O=CC1=CC([N+](=O)[O-])=CC=C1O HY-75887 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 HY-W010106 [0,1,0,0,0,0|2,0,0]=3 17 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715 [0,1,0,0,0,0|1,0,1]=3 18 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715R [0,1,0,0,0,0|1,0,1]=3 19 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HY-W010066 [0,1,0,0,0,0|0,0,2]=3 20 B12R1.367 [C@@H](O)(CN)C1=CC(O)=C(O)C=C1 HY-W009184 [0,1,0,0,0,0|1,0,1]=3 21 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 HY-W015082 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 HY-N0523R [0,1,0,0,0,0|0,0,0]=1 23 B12R1.19 CC(=O)NC1=CC=C(C)C(F)=C1 HY-44481 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892R [2,0,0,0,0,0|0,0,1]=3 25 B9R1.6 CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.6 [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.2 OCC1=CC=CC(O)=C1 HY-78446 [2,0,0,0,0,0|0,0,1]=3 28 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814R [2,0,0,0,0,0|0,0,1]=3 29 B11R1.3 COC1=CC=C(B(O)O)C=C1 HY-W002177 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.22 N=C(NO)C1=CC=C(N)C=C1 HY-135200 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 HY-B1008A [1,1,0,0,0,0|1,0,0]=3 32 B11R1.159 CC(=O)C1=CC=CC(O)=C1N HY-109690 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl HY-W002412 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.159 O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [1,1,0,0,0,0|0,0,0]=2 35 B11R1.192 NCCC1=CC=C(O)C(O)=C1 HY-B0451AR [1,1,0,0,0,0|1,0,1]=4 36 B11R1.192 NCC[13C]1=[13CH][13C](O)=[13C](O)[13CH]=[13CH]1 HY-B0451AS1 [1,1,0,0,0,0|1,0,1]=4 37 B11R1.192 N[13CH2]CC1=CC=C(O)C(O)=C1 HY-B0451AS5 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.192 O=CCC1=CC=C(O)C(O)=C1 HY-121252 [1,1,0,0,0,0|0,0,0]=2 39 B11R1.280 COC1=C(O)C=CC(CN)=C1 HY-W097899 [1,1,0,0,0,0|1,0,1]=4 40 B11R1.280 N#CC1=CC(C=O)=CC=C1F HY-20138 [1,1,0,0,0,0|2,0,0]=4 41 B13R1.2879 COC(=O)CC1=CC(O)=C(O)C=C1 HY-W016407 [0,1,0,0,0,1|0,0,0]=2 42 B13R1.120 CC(=O)C1=CC=C(C(=O)O)C(C)=C1 HY-W076700 [0,2,0,0,0,0|2,0,0]=4 43 B13R1.120 O=C(O)C1=CC=C([N+](=O)[O-])C(O)=C1 HY-69341 [0,2,0,0,0,0|0,0,1]=3 44 B13R1.49 COC1=C(O)C=CC(C(O)CN)=C1 HY-W008794 [0,2,0,0,0,0|1,0,1]=4 45 B13R1.49 COC1=CC(C(O)CO)=CC=C1O HY-113323 [0,2,0,0,0,0|0,0,2]=4 46 B13R1.466 CNCC(=O)C1=CC=C(O)C(O)=C1 HY-B1308A [0,2,0,0,0,0|1,0,0]=3 47 B13R2.13083 OC1=CC2=C(C=C1Cl)N=C(O)O2 HY-W016221 [0,0,0,1,0,1|1,0,1]=4 48 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 HY-41404 [0,1,0,1,0,0|0,0,0]=2 49 B11R1.20 [13CH3][13C](=O)[15NH]C1=CC=C(O)C=C1 HY-66005S4 [1,0,0,0,0,1|1,0,0]=3 50 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 HY-W008015 [1,0,0,0,0,1|1,0,0]=3 51 B13R1.511 CC(=O)\C=C\C1=CC=C(O)C(O)=C1 HY-N1966 [0,0,0,0,0,2|1,0,0]=3 52 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 HY-N0172R [0,0,0,0,0,2|0,0,0]=2