0 B9R1.6 CC(=O)[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 HY-W782153 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.6 CC(O)C1=CN=CN=C1 HY-W062571 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 N=C(N)C1=CN=CC=C1 HY-W002264 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 NC(=O)C1=NC=CN=C1 HY-B0271R [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 NC(=S)C1=NC=CN=C1 HY-W129661 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.6 [13CH3]C(=O)C1=CC=CC=C1 HY-Y0989S3 [0,0,0,0,0,0|0,0,0]=0 6 B8R1.2 ClCC1=CC=CC=N1 HY-W007502 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.13 O=C(O)C1=CC=C(Br)C=C1 HY-78700 [0,1,0,0,0,0|1,0,0]=2 8 B10R1.13 O=C(O)C1=CC=C(O)N=C1 HY-W001996R [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 O=C(O)[13C]1=[13CH][13CH]=[13C](O)[13CH]=[13CH]1 HY-Y0264S [0,1,0,0,0,0|1,0,0]=2 10 B10R1.13 O=[13C](O)C1=CC=C(O)C=C1 HY-Y0264S2 [0,1,0,0,0,0|1,0,0]=2 11 B10R1.15 CNC(=O)C1=NC=CC=C1 HY-Z4481 [0,1,0,0,0,0|1,0,0]=2 12 B10R1.15 COC(=O)C1=CC=CN=C1 HY-B1695 [0,1,0,0,0,0|1,0,0]=2 13 B10R1.15 COC(=O)C1=CC=NC=N1 HY-W043311 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.15 C[C@H](CN)C1=CC=CC=C1 HY-W655727 [0,1,0,0,0,0|1,0,1]=3 15 B10R1.15 NNC(=S)C1=CC=CC=C1 HY-129943 [0,1,0,0,0,0|1,1,0]=3 16 B10R1.15 N[C@H](CO)C1=CC=CC=C1 HY-41414 [0,1,0,0,0,0|1,0,1]=3 17 B10R1.15 O=C(CO)C1=CC=CC=C1 HY-W002198 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 HY-W012450 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 HY-W450789S [0,1,0,0,0,0|1,0,2]=4 20 B10R1.61 CC(=O)C1=CC=CC=C1C HY-W012658 [0,1,0,0,0,0|0,0,0]=1 21 B10R1.61 CC(=O)C1=CC=CC=C1N HY-I0501 [0,1,0,0,0,0|0,0,0]=1 22 B10R1.61 CC1=C([13C](=O)O)C=CC=C1 HY-41494S1 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.61 O=C(O)C1=NC=CC=C1S HY-128923 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.113 CC(N)C1=CC(O)=CC=C1 HY-70031 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.113 CN1C=CCC(C(N)=O)=C1 HY-124313 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [0,1,0,0,0,0|2,0,0]=3 28 B10R1.113 NC(=S)C1=CC(N)=CC=C1 HY-W128619 [0,1,0,0,0,0|1,1,0]=3 29 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 HY-W005983 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.7 CC(=O)C1=CC=CN1 HY-W012956 [0,0,0,0,1,0|1,0,0]=2 32 B8R1.7 O=C(O)C1=CC=CN1 HY-W001963 [0,0,0,0,1,0|2,0,0]=3 33 B8R1.7 O=C(O)C1=CNN=C1 HY-W002065 [0,0,0,0,1,0|3,0,0]=4 34 B7R1.3 ClC1=CC=NC=C1 HY-Y0178 [2,0,0,0,0,0|2,0,0]=4 35 B7R1.3 OC1=CC=NC=C1 HY-W007690 [2,0,0,0,0,0|1,0,1]=4 36 B9R0.1 C=C\C(C)=C\CC=C(C)C HY-117215 [0,1,1,0,0,0|1,0,1]=4 37 B9R0.1 C=C\C(C)=C\CC=C(C)C HY-117215A [0,1,1,0,0,0|1,0,1]=4 38 B9R1.1 OCC1=CC=C(O)C=C1 HY-Y0892R [1,1,0,0,0,0|0,0,2]=4 39 B9R1.2 OCC1=CC=CC(O)=C1 HY-78446 [1,1,0,0,0,0|0,0,2]=4 40 B9R1.8 NCCC1=CC=CC=N1 HY-107565 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.8 OCCC1=CC=CC=C1 HY-B1290R [1,1,0,0,0,0|0,0,1]=3 42 B9R1.8 [Y]OCC1=CC=CC=C1 HY-P1453A [1,1,0,0,0,0|0,0,2]=4 43 B9R1.15 CC1=C([13CH]=O)C=CC=C1 HY-Y0442S [1,1,0,0,0,0|0,0,0]=2 44 B11R1.20 CC(N)CC1=CC=C(O)C=C1 HY-B1098 [0,1,0,0,0,1|1,0,1]=4 45 B11R1.20 CC1=CC=C(CC(C)N)C=C1 HY-W417914 [0,1,0,0,0,1|1,0,1]=4 46 B11R1.20 [13CH3][13C](=O)[15NH]C1=CC=C(O)C=C1 HY-66005S4 [0,1,0,0,0,1|0,0,0]=2 47 B11R1.40 CC(CC1=CC=CC=C1)NN HY-W224327A [0,1,0,0,0,1|1,0,1]=4 48 B11R1.86 CC(=O)NC1=C(O)C=CC=C1 HY-W015600R [0,1,0,0,0,1|0,0,0]=2 49 B11R1.86 CC(C)SC1=CC=CC=C1N HY-I0912 [0,1,0,0,0,1|1,0,1]=4 50 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 HY-W008015 [0,1,0,0,0,1|1,0,0]=3 51 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 HY-128442 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 HY-103708 [0,1,0,0,0,1|1,0,1]=4 53 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 HY-W100403 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.21 CC1=C(Cl)C=C([C@H](C)N)C=C1 HY-Z0750 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.21 O=C(O)C1=CC=C(Br)C(O)=C1 HY-W003445 [0,2,0,0,0,0|1,0,0]=3 56 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(Cl)=C1 HY-Y0510 [0,2,0,0,0,0|2,0,0]=4 57 B11R1.22 N=C(NO)C1=CC=C(N)C=C1 HY-135200 [0,2,0,0,0,0|1,0,1]=4 58 B11R1.22 NC1=CC=C(C(=O)O[K])C=C1 HY-B1008A [0,2,0,0,0,0|1,0,0]=3 59 B11R1.87 NC1=CC=CC=C1S(=O)(=O)O HY-W015302 [0,2,0,0,0,0|2,0,0]=4 60 B11R1.53 CCC1=CC=CC=C1C(N)=O HY-W412047 [0,2,0,0,0,0|1,0,0]=3 61 B11R1.53 CNC1=C(C(=O)O)C=CC=C1 HY-W040705 [0,2,0,0,0,0|1,0,0]=3 62 B11R1.53 O=CC1=CC=CC=C1[N+](=O)[O-] HY-W007454 [0,2,0,0,0,0|2,0,0]=4 63 B11R1.156 CC1=C(C(=O)O)C(O)=CC=C1 HY-W002751 [0,2,0,0,0,0|1,0,0]=3 64 B11R1.156 NC1=CC=CC(Cl)=C1C(=O)O HY-Y1132 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.159 CC(=O)C1=CC=CC(O)=C1N HY-109690 [0,2,0,0,0,0|0,0,0]=2 66 B11R1.159 CC(N)C1=C(Cl)C(Cl)=CC=C1 HY-107398 [0,2,0,0,0,0|1,0,1]=4 67 B11R1.159 NC1=C(C(=O)O)C=CC=C1Cl HY-W002412 [0,2,0,0,0,0|1,0,0]=3 68 B11R1.159 O=C(O)C1=CC=CC(O)=C1O HY-Y0202R [0,2,0,0,0,0|1,0,0]=3 69 B11R1.266 COC1=CC=CC(C(C)N)=C1 HY-20143 [0,2,0,0,0,0|1,0,1]=4 70 B11R2.10 ClC1=NC2=CC=CC=C2O1 HY-W019606 [0,0,0,1,0,1|1,0,1]=4 71 B11R2.10 O=C1NC2=CC=CC=C2N1 HY-W008003 [0,0,0,1,0,1|1,0,0]=3 72 B11R2.1 O=C1COC2=C1C=CC=C2 HY-W001165 [0,1,0,1,0,0|0,0,0]=2 73 B7R1.1 O=CC1=CC=CN1 HY-77817 [1,0,0,0,1,0|1,0,0]=3 74 B7R1.1 O=CC1=COC=C1 HY-76224 [1,0,0,0,1,0|1,0,0]=3 75 B11R1.91 CC(=O)OCC1=CC=CC=C1 HY-N7124 [0,0,0,0,0,2|0,0,0]=2 76 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595 [0,0,0,0,0,2|0,0,0]=2