0 B8R1.4 CC1=CC(Br)=NC=C1 HY-W007579 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.4 ClC1=CN=CC(Cl)=N1 HY-W010260 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.4 FC1=CC=CC(F)=N1 HY-W012911 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.4 NC1=NC(=O)NC=C1 HY-I0626R [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 O=[13C]1[13CH]=[13CH]N[13C](=O)N1 HY-I0960S1 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.3 ClC1=CC=NC=C1 HY-Y0178 [1,0,0,0,0,0|2,0,0]=3 6 B7R1.3 OC1=CC=NC=C1 HY-W007690 [1,0,0,0,0,0|1,0,0]=2 7 B9R1.2 OCC1=CC=CC(O)=C1 HY-78446 [0,1,0,0,0,0|0,0,0]=1 8 B9R1.34 CC1=CC(O)=CC(=O)O1 HY-Y1634 [0,1,0,0,0,0|1,0,0]=2 9 B9R1.34 CC1=CC(O)=CC(O)=C1 HY-W015715 [0,1,0,0,0,0|0,0,0]=1 10 B9R1.34 NC1=CC(Cl)=NC(Cl)=C1 HY-W008199 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.34 O[13C]1=[13CH][13C](O)=[13CH][13C](O)=[13CH]1 HY-W777964 [0,1,0,0,0,0|1,0,0]=2 12 B9R1.69 CC1=CC(Cl)=NN=C1Cl HY-W015388 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.69 CC1=CC(N)=NC=C1Br HY-17562 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814R [0,1,0,0,0,0|0,0,0]=1 15 B6R0.2 CC(C)=CC(=O)O HY-W010611 [1,0,1,0,0,0|1,0,1]=4 16 B8R1.2 ClCC1=CC=CC=N1 HY-W007502 [1,1,0,0,0,0|1,0,0]=3 17 B8R1.2 NCC1=NC=NC=C1 HY-W017769 [1,1,0,0,0,0|2,0,0]=4 18 B8R1.2 OCC1=NC=CC=N1 HY-78975 [1,1,0,0,0,0|2,0,0]=4 19 B8R1.2 OCC1=NC=NC=C1 HY-W017825 [1,1,0,0,0,0|2,0,0]=4 20 B8R1.3 FC1=CN=C(Br)C=C1 HY-32748 [1,1,0,0,0,0|2,0,0]=4 21 B8R1.3 NC1=NC=C(F)C=C1 HY-Y0107 [1,1,0,0,0,0|2,0,0]=4 22 B8R1.5 NC1=C(O)C=NC=C1 HY-W008188 [1,1,0,0,0,0|1,0,0]=3 23 B8R1.5 OC1=NC=CC=C1Br HY-W003045 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.2 CC1=C(Cl)C=CN=C1CCl HY-Z3866 [0,2,0,0,0,0|2,0,0]=4 25 B10R1.2 COC1=CC=CC(O)=C1O HY-W116576 [0,2,0,0,0,0|0,0,0]=2 26 B10R1.8 COC1=CC(O)=CC(O)=C1 HY-W015752 [0,2,0,0,0,0|0,0,0]=2 27 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 HY-W012416 [0,2,0,0,0,0|1,0,0]=3 28 B10R1.30 COC1=C(O)C=CC(O)=C1 HY-W013675 [0,2,0,0,0,0|0,0,0]=2 29 B10R1.30 OCC1=CC(O)=CC=C1O HY-W248907 [0,2,0,0,0,0|0,0,0]=2 30 B10R1.113 CC(N)C1=CC(O)=CC=C1 HY-70031 [0,2,0,0,0,0|0,0,0]=2 31 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414 [0,2,0,0,0,0|1,0,1]=4 32 B10R1.113 C[N+]1=CC(C(=O)[O-])=CC=C1 HY-N0414R [0,2,0,0,0,0|1,0,1]=4 33 B10R1.113 NC(=S)C1=CC(N)=CC=C1 HY-W128619 [0,2,0,0,0,0|1,0,1]=4 34 B10R1.113 O=C(O)C1=CC=CC(Br)=C1 HY-Y0188 [0,2,0,0,0,0|1,0,0]=3 35 B10R1.176 CCC1=CC=C(O)C(O)=C1 HY-W265757 [0,2,0,0,0,0|0,0,0]=2 36 B10R1.176 COC1=CC=C(O)C(N)=C1 HY-W001213 [0,2,0,0,0,0|1,0,0]=3 37 B10R1.22 NC1=CC(Cl)=CC(F)=C1I HY-Z8324 [0,2,0,0,0,0|2,0,0]=4 38 B10R1.119 OC1=C(Cl)C(Cl)=NC=C1Cl HY-W105233 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.245 COC1=C(C)N=CC=C1Cl HY-W059074 [0,2,0,0,0,0|2,0,0]=4 40 B10R1.245 O=CC1=C(Cl)C=CC=C1F HY-W015477 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.7 CC(=O)C1=CC=CN1 HY-W012956 [0,0,1,1,0,0|2,0,0]=4 42 B8R1.7 O=C(O)C1=CC=CN1 HY-W001963 [0,0,1,1,0,0|2,0,0]=4 43 B6R0.3 C(C)=C(/C)C(=O)O HY-N6929 [0,0,1,0,1,0|1,0,1]=4 44 B6R1.2 CC1=CNN=C1 HY-B0876 [1,0,0,0,1,0|2,0,0]=4