0 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CC1=CC=C(C=O)O1 HY-Y0543 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.1 CC1=CC=C(C=O)S1 HY-34465 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 CC1=CC=C(CO)O1 HY-W087919 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 CCN1C=CC=N1 HY-Z1094 [1,0,0,0,0,0|2,0,0]=3 5 B7R1.1 N#CC1=NC=CS1 HY-W003625 [1,0,0,0,0,0|1,0,1]=3 6 B7R1.1 O=CC1=CC=CS1 HY-W012941 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 O=CC1=NC=CN1 HY-W007321 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 OCC1=CC=CS1 HY-34751 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 OCC1=CN=CS1 HY-W012905 [1,0,0,0,0,0|3,0,0]=4 10 B7R1.2 BrC1=CSC(Br)=N1 HY-59304 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,0,0|3,0,0]=4 12 B7R1.2 CC1=CN=C(N)S1 HY-WAA0093 [1,0,0,0,0,0|3,0,0]=4 13 B7R1.2 CC1=NN(C)C=C1 HY-W002168 [1,0,0,0,0,0|2,0,0]=3 14 B7R1.2 CN1C=CC(N)=N1 HY-76189 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.7 CN1C=NC(CCN)=C1 HY-W053787 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.21 OCC1=CC=C(CO)O1 HY-W017782 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.35 CC(=O)C1=CC=C(C)S1 HY-W002097 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.1 CCC1=CC=C(O)C=C1 HY-W012836 [0,0,0,0,0,1|3,0,0]=4 19 B9R1.1 CNC1=CC=C(C)C=C1 HY-W017767 [0,0,0,0,0,1|3,0,0]=4 20 B9R1.1 COC1=CC=C(C)C=C1 HY-W012835 [0,0,0,0,0,1|3,0,0]=4 21 B9R1.1 COC1=CC=C(Cl)N=N1 HY-W001168 [0,0,0,0,0,1|3,0,0]=4 22 B9R1.1 COC1=NC=C(Br)C=C1 HY-32756 [0,0,0,0,0,1|3,0,0]=4 23 B9R1.1 COC1=NC=C(N)C=C1 HY-W001994 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.1 OCC1=CC=C(Br)N=C1 HY-W016116 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.1 OCC1=NC=C(Br)C=C1 HY-32837 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.1 OCC1=NC=C(O)C=C1 HY-W007140 [0,0,0,0,0,1|3,0,0]=4 27 B9R1.2 CC1=CC=CC(C#N)=N1 HY-W002490 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.2 COC1=CC=CC(C)=C1 HY-115127 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.2 COC1=NC(Cl)=CC=C1 HY-W001995 [0,0,0,0,0,1|3,0,0]=4 30 B9R1.2 COC1=NC=CC(N)=N1 HY-69014 [0,0,0,0,0,1|3,0,0]=4 31 B9R1.2 OCC1=NC(Br)=CC=C1 HY-32836 [0,0,0,0,0,1|3,0,0]=4 32 B6R0.4 CC\C=C\C(=O)O HY-W061674 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.6 C\C=C\C=C\CO HY-W017690 [1,0,1,0,0,0|2,0,0]=4 34 B6R1.2 BrC1=CNC=N1 HY-W002226 [2,0,0,0,0,0|2,0,0]=4 35 B6R1.2 BrC1=CSC=C1 HY-59299 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 BrC1=NC=CS1 HY-W001223 [2,0,0,0,0,0|1,0,0]=3 37 B6R1.2 CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|1,0,0]=3 38 B6R1.2 CC1=NNC=C1 HY-66054 [2,0,0,0,0,0|2,0,0]=4 39 B6R1.2 NC1=NC=CN1 HY-W062216 [2,0,0,0,0,0|2,0,0]=4 40 B6R1.2 NC1=NC=CS1 HY-12396 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.7 CC(=O)C1=CC=CS1 HY-20585 [1,1,0,0,0,0|1,0,1]=4 42 B8R1.7 CC(=O)C1=NC=CS1 HY-Y0045 [1,1,0,0,0,0|0,0,1]=3 43 B8R1.7 CC(C)C1=NC=CN1 HY-W001201 [1,1,0,0,0,0|1,0,0]=3 44 B8R1.8 CCCN1C=CC=N1 HY-Z1093 [1,1,0,0,0,0|2,0,0]=4 45 B8R1.8 NCCC1=CNC=N1 HY-A0129 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.18 CC1=CC(C)=NN1C HY-N7086 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.18 CC1=NC(C)=C(C)S1 HY-W100945 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.3 COC1=CN=C(OC)C=C1 HY-W051248 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.13 CC1=CC=C(C(C)C)CC1 HY-W020182 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.13 CC1=CCC(C(C)C)=CC1 HY-W020183 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.13 Cc1ccc(C(C)C)cc1 HY-79986 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.2 CCC1=CC=CC(C)=C1O HY-W089538 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.30 CCC1=NC(C)=CC=C1O HY-W002620A [0,1,0,0,0,1|1,0,0]=3 54 B10R1.172 OCC1=CC=CC(CO)=N1 HY-W017597 [0,1,0,0,0,1|2,0,0]=4 55 B8R1.3 CC1=CN=C(C)C=N1 HY-34439 [0,0,1,1,0,0|1,0,1]=4 56 B6R0.3 C=C(C)C(=O)OC HY-W391506 [0,0,1,0,1,0|1,1,0]=4 57 B6R0.3 CCC(=O)C(C)=O HY-W012998 [0,0,1,0,1,0|1,1,0]=4