0 B10R1.61 CC(=O)C1=CC=CC=C1C HY-W012658 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.61 O=C(O)C1=NC=CC=C1S HY-128923 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.6 CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.6 N=C(N)C1=CN=CC=C1 HY-W002264 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271R [1,0,0,0,0,0|3,0,0]=4 7 B9R1.6 [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.15 CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [1,0,0,0,0,0|1,0,0]=2 9 B11R1.53 CCC1=CC=CC=C1C(N)=O HY-W412047 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 HY-W040705 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] HY-W007454 [0,1,0,0,0,0|1,0,2]=4 12 B11R1.87 NC1=CC=CC=C1S(=O)(=O)O HY-W015302 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.156 CC1=C(C(=O)O)C(O)=CC=C1 HY-W002751 [0,1,0,0,0,0|0,0,0]=1 14 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O HY-Y1132 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.159 CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl HY-W002412 [0,1,0,0,0,0|1,0,0]=2 17 B11R1.159 O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [0,1,0,0,0,0|0,0,0]=1 18 B11R1.166 O=C(O)C1=CNC(=S)NC1=O HY-W052750 [0,1,0,0,0,0|2,0,1]=4 19 B11R2.1 O=C1COC2=C1C=CC=C2 HY-W001165 [0,0,0,1,0,0|1,0,0]=2 20 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 HY-W015600R [0,0,0,0,0,1|1,0,0]=2 21 B8R1.5 NC1=C(O)C=NC=C1 HY-W008188 [2,0,0,0,0,0|2,0,0]=4 22 B8R1.5 OC1=NC=CC=C1Br HY-W003045 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 HY-78700 [1,1,0,0,0,0|0,0,0]=2 24 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996R [1,1,0,0,0,0|1,0,0]=3 25 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 26 B10R1.13 O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [1,1,0,0,0,0|0,0,0]=2 27 B10R1.15 CNC(=O)C1=NC=CC=C1 HY-Z4481 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.15 COC(=O)C1=CC=CN=C1 HY-B1695 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.15 COC(=O)C1=CC=NC=N1 HY-W043311 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.15 NNC(=S)C1=CC=CC=C1 HY-129943 [1,1,0,0,0,0|1,1,0]=4 31 B10R1.15 N[C@H](CO)C1=CC=CC=C1 HY-41414 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.15 O=C(CO)C1=CC=CC=C1 HY-W002198 [1,1,0,0,0,0|0,0,0]=2 33 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 HY-W450789S [1,1,0,0,0,0|1,0,1]=4 34 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [1,1,0,0,0,0|1,0,1]=4 36 B10R1.113 NC(=S)C1=CC(N)=CC=C1 HY-W128619 [1,1,0,0,0,0|1,1,0]=4 37 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.2 COC1=CC=CC(O)=C1O HY-W116576 [1,1,0,0,0,0|2,0,0]=4 40 B10R1.20 C=CC1=CC=CC=C1C=C HY-46846 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.30 COC1=C(O)C=CC(O)=C1 HY-W013675 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.30 O=CC1=CC(F)=CNC1=O HY-44532 [1,1,0,0,0,0|1,0,1]=4 43 B10R1.30 OCC1=CC(O)=CC=C1O HY-W248907 [1,1,0,0,0,0|0,0,1]=3 44 B10R1.245 O=CC1=C(Cl)C=CC=C1F HY-W015477 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.75 CSC1=CC=CC=C1NC(C)=O HY-18594 [0,1,0,0,0,1|1,1,0]=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 B12R1.77 COC(=O)C1=CC=CC=C1OC HY-Z0453 [0,2,0,0,0,0|0,0,0]=2 48 B12R1.261 O=C(O)C1=C(C(=O)O)N=CC=N1 HY-W017105 [0,2,0,0,0,0|2,0,0]=4 49 B12R1.437 COC1=CC=CC(O)=C1C(=O)O HY-W017100 [0,2,0,0,0,0|0,0,0]=2 50 B12R1.440 O=CC1=CC=CC([N+](=O)[O-])=C1O HY-Z0547 [0,2,0,0,0,0|1,0,1]=4 51 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 52 B12R1.308 NCCC(=O)C1=C(N)C=CC=C1 HY-119395B [0,2,0,0,0,0|2,0,0]=4 53 B12R2.24 O=C1C=CC2=CC=CC=C2N1 HY-W005598 [0,0,0,1,0,1|2,0,0]=4 54 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709R [0,0,0,1,0,1|2,0,0]=4 55 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 HY-W018800 [0,1,0,1,0,0|2,0,0]=4 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