0 B8R1.50 CC1=C(O)C(=O)CO1 HY-W012927 [0,0,0,0,0,0|0,0,0]=0 1 B8R1.50 CC1=NNC(C)=C1Br HY-W016754 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.50 CC1=NOC(N)=C1Cl HY-70065 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.50 O=C1CCC(=O)N1Br HY-Y0775 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.50 O=C1CCC(=O)N1Cl HY-Y0532 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.50 O=C1CCC(=O)N1I HY-ER017 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.50 O=C1CCC(=O)N1O HY-Y0623 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.50 O=C1OCC(O)[C@@H]1O HY-W357137 [0,0,0,0,0,0|1,0,3]=4 8 B8R1.50 O=C1SSC(Cl)=C1Cl HY-W016149 [0,0,0,0,0,0|3,1,0]=4 9 B7R1.2 CC1=CC(=O)CC1 HY-W013014 [1,0,0,0,0,0|1,0,0]=2 10 B7R1.2 CC1=CC(N)=NN1 HY-75637 [1,0,0,0,0,0|3,0,0]=4 11 B7R1.2 CC1=CC(N)=NO1 HY-W041676 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.2 CC1=CCC(=O)O1 HY-N0548 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.2 CC1CCC(=O)O1 HY-W015938 [1,0,0,0,0,0|2,0,1]=4 14 B7R1.2 O=C1CCC(=O)C1 HY-75355 [1,0,0,0,0,0|2,0,1]=4 15 B7R1.2 O=C1CCC(=O)N1 HY-41877 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.2 O=C1CCC(=O)O1 HY-79369 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.2 O=C1CNC(=S)N1 HY-W012896 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.2 O=C1CSC(=O)N1 HY-59272 [1,0,0,0,0,0|2,1,0]=4 19 B7R1.2 O=C1CSC(=S)N1 HY-W010365 [1,0,0,0,0,0|2,1,0]=4 20 B7R1.4 CC1=CNN=C1C HY-W019334 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.37 CC1=C(O)C(=O)C(C)O1 HY-N7093 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.10 O=C(CO)[C@@H](O)CO HY-W441330 [0,0,1,0,0,0|1,0,2]=4 23 B9R1.3 CC1=C(O)C(=O)C=CO1 HY-W012788 [0,0,0,0,0,1|0,0,1]=2 24 B9R1.3 CC1=C(O)C(O)=CC=C1 HY-W012815 [0,0,0,0,0,1|1,0,2]=4 25 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.69 CC1=C(N)NC(=O)N=C1 HY-W008091R [0,0,0,0,0,1|3,0,0]=4 27 B9R1.69 CC1=CC(O)=C(O)C=C1 HY-W012814 [0,0,0,0,0,1|1,0,2]=4 28 B9R1.69 CC1=CNC(=O)NC1=O HY-W010450 [0,0,0,0,0,1|2,0,1]=4 29 B9R1.69 CC1=NNC(=O)NC1=O HY-136559 [0,0,0,0,0,1|2,0,1]=4 30 B9R1.69 O=C1C=C(O)C(Cl)=CN1 HY-17469 [0,0,0,0,0,1|3,0,0]=4 31 B9R1.69 [15NH]1C=C([13CH3])C(=O)[15NH]C1=O HY-W747214 [0,0,0,0,0,1|2,0,1]=4 32 B6R0.4 C=CCCC(=O)O HY-Y0624 [1,0,1,0,0,0|1,0,1]=4 33 B6R0.4 CCNCC(=O)O HY-W141879 [1,0,1,0,0,0|1,0,1]=4 34 B6R0.4 CCOCC(=O)O HY-W027555 [1,0,1,0,0,0|0,0,1]=3 35 B6R0.4 CSCCC(=O)O HY-101401 [1,0,1,0,0,0|2,0,0]=4 36 B6R0.4 C\C=C\CC(=O)O HY-W088501 [1,0,1,0,0,0|1,0,0]=3 37 B6R0.4 O=CNCC(=O)O HY-128735 [1,0,1,0,0,0|2,0,0]=4 38 B6R0.3 C=C(C)C(=O)OC HY-W391506 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.3 CC(=O)\C(C)=N\O HY-Y0413 [1,0,1,0,0,0|2,0,0]=4 40 B6R0.3 CCC(=O)C(=O)O HY-W007926 [1,0,1,0,0,0|0,0,2]=4 41 B6R0.3 CCC(=O)C(=O)O HY-W007926R [1,0,1,0,0,0|0,0,2]=4 42 B6R0.3 CCC(=O)C(C)=O HY-W012998 [1,0,1,0,0,0|0,0,2]=4 43 B6R0.3 CCC(O)C(=O)O HY-113381 [1,0,1,0,0,0|0,0,2]=4 44 B6R0.3 CC[C@H](O)C(=O)O HY-W018499 [1,0,1,0,0,0|0,0,2]=4 45 B6R0.3 CON(C)C(C)=O HY-W001095 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.3 C\C=C(/C)C(=O)O HY-W012999 [1,0,1,0,0,0|1,0,0]=3 47 B6R0.3 O=C(O)C(=O)CBr HY-19992 [1,0,1,0,0,0|2,0,0]=4 48 B6R0.3 O=C(O)C(=O)O[K] HY-W115775 [1,0,1,0,0,0|2,0,0]=4 49 B6R0.3 [C@@H](C)(NC)C(=O)O HY-W015926 [1,0,1,0,0,0|1,0,1]=4 50 B6R0.2 CC(=O)\C=C(\C)[O-] HY-W020952 [1,0,1,0,0,0|0,0,1]=3 51 B6R1.2 CC1=CC=CS1 HY-W010615 [2,0,0,0,0,0|0,1,1]=4 52 B6R1.2 CC1=NNC=C1 HY-66054 [2,0,0,0,0,0|2,0,0]=4 53 B6R1.2 NC1=NOC=C1 HY-W007329 [2,0,0,0,0,0|2,0,0]=4 54 B6R1.2 O=C1C=CCC1 HY-W010643 [2,0,0,0,0,0|1,0,0]=3 55 B6R1.2 O=C1C=CCO1 HY-W008270 [2,0,0,0,0,0|1,0,0]=3 56 B6R1.2 O=C1CCOC1 HY-33900 [2,0,0,0,0,0|0,0,2]=4 57 B8R1.1 CC1=CC(CO)=NO1 HY-W012937 [1,1,0,0,0,0|1,0,1]=4 58 B8R1.18 CC1=CC(=O)C(C)O1 HY-W010553 [1,1,0,0,0,0|0,0,0]=2 59 B8R1.18 CC1=CC(=O)OC1=O HY-78035 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.2 CC1=C(O)C(C=O)=CC=C1 HY-W007934 [0,1,0,0,0,1|1,0,1]=4 61 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320 [0,1,0,0,0,1|0,0,1]=3 62 B10R1.2 CCC1=C(O)C(=O)C=CO1 HY-W010320R [0,1,0,0,0,1|0,0,1]=3 63 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568 [0,1,0,0,0,1|1,0,1]=4 64 B10R1.119 CC1=C(O)C(=O)C=CN1C HY-B0568R [0,1,0,0,0,1|1,0,1]=4 65 B10R1.25 CC1=CC=C(C=O)C(O)=C1 HY-W007888 [0,1,0,0,0,1|1,0,1]=4 66 B8R1.4 CC1=CC(C)=O[Ru]O1 HY-W020958 [1,0,0,0,0,1|2,0,0]=4 67 B8R1.4 O=C1COCC(=O)O1 HY-W074326 [1,0,0,0,0,1|2,0,0]=4