0 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.1 O=CC1=CC=C(Br)S1 HY-59174 [0,0,0,0,0,0|3,1,0]=4 4 B8R1.1 O=CC1=CC=C(Cl)S1 HY-W002227 [0,0,0,0,0,0|3,1,0]=4 5 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,0,0,0,0,0|3,0,0]=4 6 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,0,0,0,0,0|2,1,0]=4 7 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,0,0|2,1,0]=4 8 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,0,0|0,1,1]=3 9 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [1,0,0,0,0,0|2,1,0]=4 10 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.2 CN1C=CC(N)=N1 HY-76189 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 O=C1C=CC(=O)N1 HY-W007324 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.21 O=CC1=CC=C(CO)O1 HY-Y0051 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.21 OCC1=CC=C(CO)O1 HY-W017782 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,1,0,0,0,0|1,1,0]=3 16 B7R0.3 CO\C=C\C(=O)OC HY-W007972 [0,0,1,0,0,0|1,1,1]=4 17 B7R0.4 CCC\C=C\C(=O)O HY-W010531 [0,0,1,0,0,0|2,0,1]=4 18 B7R0.4 CC\C=C\CC(=O)O HY-W010532 [0,0,1,0,0,0|2,0,1]=4 19 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.4 C\C=C\C=C\C(=O)O HY-N0626R [0,0,1,0,0,0|2,0,0]=3 21 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626A [0,0,1,0,0,0|2,0,1]=4 22 B7R0.4 C\C=C\C=C\C(=O)[O-] HY-N0626AR [0,0,1,0,0,0|2,0,1]=4 23 B9R1.1 CC1=CC=C(C=O)C=C1 HY-W012860 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [0,0,0,0,0,1|2,0,0]=3 26 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [0,0,0,0,0,1|1,1,0]=3 27 B9R1.1 COC1=CC=C(Cl)N=N1 HY-W001168 [0,0,0,0,0,1|2,1,0]=4 28 B9R1.1 COC1=CC=C(O)C=C1 HY-30270 [0,0,0,0,0,1|2,1,0]=4 29 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [0,0,0,0,0,1|2,1,0]=4 30 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [0,0,0,0,0,1|2,1,0]=4 31 B9R1.2 CC1=CC(C=O)=CC=C1 HY-78086 [0,0,0,0,0,1|3,0,0]=4 32 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,0,0,0,0,1|3,0,0]=4 33 B9R1.2 COC1=CC(Cl)=NC=C1 HY-W007914 [0,0,0,0,0,1|2,1,0]=4 34 B9R1.2 COC1=CC(N)=NC=C1 HY-20459 [0,0,0,0,0,1|2,1,0]=4 35 B9R1.2 COC1=CC(O)=CC=C1 HY-Y1840 [0,0,0,0,0,1|2,1,0]=4 36 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,0,0,0,0,1|1,1,0]=3 37 B9R1.2 COC1=CN=CC(Br)=C1 HY-W007427 [0,0,0,0,0,1|2,1,0]=4 38 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [0,0,0,0,0,1|2,1,0]=4 39 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [0,0,0,0,0,1|2,1,0]=4 40 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,1,0,0,0|0,1,1]=4 41 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,1,0,0,0|0,1,1]=4 42 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,0,1,0,0,0|1,0,1]=4 43 B6R1.2 CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|0,1,0]=3 44 B6R1.2 CC1=NNC=C1 HY-66054 [2,0,0,0,0,0|2,0,0]=4 45 B6R1.2 O=C1C=CCO1 HY-W008270 [2,0,0,0,0,0|0,1,1]=4 46 B8R0.6 C\C=C\C=C\C(=O)OC HY-W068700 [0,1,1,0,0,0|0,1,1]=4 47 B8R1.7 CC(=O)C1=CC=CO1 HY-W015912 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,1,0,0,0,0|1,1,0]=4 49 B8R1.7 O=C(O)C1=CC=CO1 HY-W012946 [1,1,0,0,0,0|2,0,0]=4 50 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [1,1,0,0,0,0|0,0,1]=3 51 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [1,1,0,0,0,0|1,1,0]=4 52 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [1,1,0,0,0,0|2,0,0]=4 53 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [1,1,0,0,0,0|1,1,0]=4 54 B10R1.3 COC1=CC=C(CO)C=C1 HY-W015777 [0,1,0,0,0,1|1,1,0]=4 55 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780 [0,1,0,0,0,1|1,1,0]=4 56 B10R1.3 COC1=CC=C(OC)C=C1 HY-W015780R [0,1,0,0,0,1|1,1,0]=4 57 B10R1.3 COC1=CN=C(OC)C=C1 HY-W051248 [0,1,0,0,0,1|1,1,0]=4 58 B10R1.13 CC(=O)C1=CC=C(C)C=C1 HY-W012653 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.13 CC1=CC=C(C(C)C)CC1 HY-W020182 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.30 CCC1=NC(C)=CC=C1O HY-W002620A [0,1,0,0,0,1|2,0,0]=4 63 B10R1.30 COC1=CC(C)=CC=C1O HY-W040971 [0,1,0,0,0,1|1,1,0]=4 64 B10R1.172 COC1=CC=CC(OC)=C1 HY-34487 [0,1,0,0,0,1|1,1,0]=4 65 B10R1.31 O=C(O)C1=CC=C(CO)O1 HY-W005241 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.5 CC1=NC=CC=C1O HY-W002339 [0,0,1,1,0,0|2,0,0]=4 67 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,1,0,1,0|1,1,0]=4