0 B10R1.113 CC(N)C1=CC(O)=CC=C1 HY-70031 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.113 CN1C=CCC(C(N)=O)=C1 HY-124313 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [0,0,0,0,0,0|2,0,1]=3 4 B10R1.113 NC(=S)C1=CC(N)=CC=C1 HY-W128619 [0,0,0,0,0,0|2,1,0]=3 5 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.2 OCC1=CC=CC(O)=C1 HY-78446 [1,0,0,0,0,0|0,0,1]=2 8 B9R1.6 CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.6 N=C(N)C1=CN=CC=C1 HY-W002264 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271R [1,0,0,0,0,0|3,0,0]=4 11 B9R1.6 [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.21 O=C(O)C1=CC=C(Br)C(O)=C1 HY-W003445 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(Cl)=C1 HY-Y0510 [0,1,0,0,0,0|2,0,1]=4 14 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 HY-N0157R [0,1,0,0,0,0|2,0,1]=4 15 B11R1.74 OB(O)C1=CC(F)=CC(F)=C1 HY-32887 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.159 CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl HY-W002412 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.159 O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [0,1,0,0,0,0|0,0,0]=1 19 B11R1.266 COC1=CC=CC(C(C)N)=C1 HY-20143 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.35 CC1=CC(C(=O)O)=NN1 HY-33009 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 HY-W008015 [0,0,0,0,0,1|1,0,0]=2 22 B8R0.23 [13CH2]=[13C]([13CH2][13C](=O)O)[13C](=O)O HY-Y0520S [1,0,1,0,0,0|1,0,1]=4 23 B10R1.2 COC1=CC=CC(O)=C1O HY-W116576 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.8 COC1=CC(O)=CC(O)=C1 HY-W015752 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.30 COC1=C(O)C=CC(O)=C1 HY-W013675 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.30 O=CC1=CC(F)=CNC1=O HY-44532 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.30 OCC1=CC(O)=CC=C1O HY-W248907 [1,1,0,0,0,0|0,0,1]=3 28 B10R1.176 CCC1=CC=C(O)C(O)=C1 HY-W265757 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 HY-78700 [1,1,0,0,0,0|0,0,0]=2 30 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996R [1,1,0,0,0,0|1,0,0]=3 31 B10R1.13 O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [1,1,0,0,0,0|0,0,0]=2 32 B10R1.13 O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.15 CNC(=O)C1=NC=CC=C1 HY-Z4481 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.15 COC(=O)C1=CC=CN=C1 HY-B1695 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.15 COC(=O)C1=CC=NC=N1 HY-W043311 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.15 NNC(=S)C1=CC=CC=C1 HY-129943 [1,1,0,0,0,0|1,1,0]=4 37 B10R1.15 N[C@H](CO)C1=CC=CC=C1 HY-41414 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.15 O=C(CO)C1=CC=CC=C1 HY-W002198 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 HY-W450789S [1,1,0,0,0,0|1,0,1]=4 40 B10R1.61 CC(=O)C1=CC=CC=C1C HY-W012658 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.61 CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [1,1,0,0,0,0|0,0,0]=2 43 B10R1.61 O=C(O)C1=NC=CC=C1S HY-128923 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.14 COC(=O)C1=CC(Br)=CN1 HY-W007392 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.19 CC(=O)NC1=CC=C(C)C(F)=C1 HY-44481 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.127 O=C(O)CC1=CC(O)=CC=C1O HY-113283R [0,1,0,0,0,1|0,0,0]=2 47 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 HY-100841 [0,1,0,0,0,1|0,0,0]=2 48 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 HY-W010106 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 HY-13715R [0,2,0,0,0,0|1,0,1]=4 51 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HY-W010066 [0,2,0,0,0,0|0,0,2]=4 52 B12R1.367 [C@@H](O)(CN)C1=CC(O)=C(O)C=C1 HY-W009184 [0,2,0,0,0,0|1,0,1]=4 53 B12R1.893 O=C(O)C1=C(F)C(Cl)=C(F)C=C1 HY-W015082 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 HY-N0523R [0,2,0,0,0,0|0,0,0]=2 55 B12R1.279 CCOC1=CC(C(=O)O)=CC=C1 HY-W048341 [0,2,0,0,0,0|0,0,0]=2 56 B8R1.7 CC(=O)C1=CC=CN1 HY-W012956 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.7 O=C(O)C1=CC=CN1 HY-W001963 [1,0,0,0,1,0|1,0,0]=3 58 B8R1.7 O=C(O)C1=CNN=C1 HY-W002065 [1,0,0,0,1,0|2,0,0]=4