0 B9R1.11 C1=CSC(=C1)C(=O)CBr B165665 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.11 C1CCN(C1)C(=O)CBr B405233 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.11 C1CCN(C1)C(=O)CCl C153598 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.11 CCC(=O)C1=CC=CO1 P339593 [0,0,0,0,0,0|1,1,2]=4 4 B9R1.11 CCC(=O)C1=CC=CS1 P160666 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.11 CCC(=O)C1=NC=CS1 P160318 [0,0,0,0,0,0|0,0,2]=2 6 B9R1.11 COC(=O)C1=CC=CS1 M157944 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.11 COC(=O)C1=CCCC1 M135404 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.11 COC(=O)C1=CCSC1 M157933 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.11 COC(=O)C1=CN=CS1 M181540 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.11 COC(=O)C1=NC=NN1 M111368 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.11 COC(=O)C1=NNN=C1 M589257 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.11 COC(=O)C1CCCC1 M158004 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.11 COC(=O)C1CCCN1 P107637 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.11 COC(=O)C1CCCN1 P109007 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.11 COC(=O)C1CCCO1 M158460 [0,0,0,0,0,0|2,1,1]=4 16 B9R1.11 COC(=O)C1NCCS1 M169641 [0,0,0,0,0,0|1,0,2]=3 17 B8R1.7 C1=CSC(=N1)C(=O)O T131973 [1,0,0,0,0,0|1,0,2]=4 18 B8R1.7 C1CC=C(C1)C(=O)O C153747 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 C1CSC(N1)C(=O)O T162356 [1,0,0,0,0,0|1,0,2]=4 20 B8R1.7 CC(=C)C1=NCCO1 I472189 [1,0,0,0,0,0|1,1,0]=3 21 B8R1.7 CC(=O)C1=CC=CS1 A109378 [1,0,0,0,0,0|1,0,2]=4 22 B8R1.7 CC(=O)C1=NC=CS1 A124071 [1,0,0,0,0,0|0,0,2]=3 23 B8R1.7 CC(=O)C1=NCCS1 A118372 [1,0,0,0,0,0|0,0,0]=1 24 B8R1.7 CC(=O)C1CCCC1 C194132 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.7 CC(=O)N1CCCC1 A151303 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 C1CSC(=N1)NC#N C192414 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.8 CCCC1=NC=CS1 P160319 [1,0,0,0,0,0|0,0,3]=4 28 B8R1.8 CCCC1=NCCN1 P302987 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.8 CCCC1=NCCO1 P160311 [1,0,0,0,0,0|0,1,1]=3 30 B8R1.8 CCOC1=NC=CS1 E135543 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.11 C1=CSC(=C1)C(=O)CCCl C354151 [0,1,0,0,0,0|1,0,2]=4 32 B10R1.11 CCOC(=O)C1=CC=CS1 E113851 [0,1,0,0,0,0|1,0,2]=4 33 B10R1.11 CCOC(=O)C1=CN=CS1 E183733 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.11 CCOC(=O)C1=COC=N1 E102774 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.11 CCOC(=O)C1=CSC=N1 E131979 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.11 CCOC(=O)C1=NC=CN1 E124091 [0,1,0,0,0,0|1,0,2]=4 37 B10R1.11 CCOC(=O)C1=NC=CN1 E501359 [0,1,0,0,0,0|1,0,2]=4 38 B10R1.11 CCOC(=O)C1=NC=CS1 E190966 [0,1,0,0,0,0|0,0,2]=3 39 B10R1.11 CCOC(=O)C1=NNN=C1 E193275 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.11 CCOC(=O)C1=NNN=N1 E404455 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.11 CCOC(=O)C1CCCN1 S161203 [0,1,0,0,0,0|1,0,2]=4 42 B10R1.14 CC1=CSC(=N1)C(=O)OC M587284 [0,1,0,0,0,0|1,0,2]=4 43 B10R1.14 CCC(=O)C1=CC=C(S1)Br B169569 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.3 CCOC(=O)C(=O)CBr E111180 [0,0,1,0,0,0|2,1,0]=4 45 B8R0.6 CCCC=CC(=O)OC M134288 [0,0,1,0,0,0|3,0,0]=4 46 B8R0.6 CCCCCC(=O)CC O106928 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.6 CCCCCC(=O)CC O106929 [0,0,1,0,0,0|2,0,1]=4 48 B8R0.6 CCCCOC(=O)CC B152863 [0,0,1,0,0,0|3,0,0]=4 49 B8R0.20 CCC(=O)N(CC)CC N159275 [0,0,1,0,0,0|3,0,0]=4 50 B10R2.178 C1CC(=O)C2OCC1O2 C478499 [0,0,0,1,0,0|1,1,1]=4 51 B10R1.15 CCC(=O)C1=CN=CC=C1 P131764 [0,0,0,0,0,1|1,0,2]=4 52 B10R1.15 CCC(=O)N1CCNCC1 P332097 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.15 CCC(=O)N1CCOCC1 M469055 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.15 COC(=O)C1=CCCCC1 M168102 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.15 COC(=O)C1=CCOCC1 M171857 [0,0,0,0,0,1|3,0,0]=4 56 B7R0.3 CCC(=O)NCCO N158966 [1,0,1,0,0,0|0,1,1]=4 57 B7R0.3 CCCCC(=O)CC H103766 [1,0,1,0,0,0|1,0,1]=4 58 B7R0.3 CCCOC(=O)CC P111531 [1,0,1,0,0,0|1,1,0]=4 59 B7R0.3 CCCOC(=O)CC P111532 [1,0,1,0,0,0|1,1,0]=4 60 B7R0.5 CCCC(=O)C(=O)C H106696 [1,0,1,0,0,0|1,1,0]=4 61 B7R0.5 CCOC(=O)C(=O)C E113332 [1,0,1,0,0,0|1,1,0]=4 62 B7R0.10 CC=C(C)C(=O)OC M158196 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.10 CCC(=O)C(=O)CC H102539 [1,0,1,0,0,0|0,1,0]=3 64 B7R0.10 CCC(=O)N(C)OC N404710 [1,0,1,0,0,0|1,1,0]=4 65 B7R0.10 CCC(C(=O)CC)O P121219 [1,0,1,0,0,0|0,1,1]=4 66 B7R0.1 CCC=CCCCO C153484 [1,0,1,0,0,0|1,1,0]=4 67 B7R0.1 CCCCC=CCC C153584 [1,0,1,0,0,0|2,0,0]=4 68 B7R0.1 CCCCC=CCC T161817 [1,0,1,0,0,0|2,0,0]=4 69 B7R0.4 CCCC=CC(=O)C H156932 [1,0,1,0,0,0|2,0,0]=4 70 B7R1.1 C1=CSC(=N1)C=O T107968 [2,0,0,0,0,0|0,0,2]=4 71 B7R1.1 C1CC=C(C1)C=O C304145 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.1 C1CN=C(N1)CCl C190593 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.1 CCC1=NCCN1 E156339 [2,0,0,0,0,0|1,0,0]=3 74 B7R1.1 CCC1=NCCO1 E137961 [2,0,0,0,0,0|0,1,0]=3 75 B7R1.1 CCC1=NCCO1 P303248 [2,0,0,0,0,0|0,1,0]=3 76 B7R1.1 CCC1=NCCO1 P432473 [2,0,0,0,0,0|0,1,0]=3 77 B7R1.1 CCC1=NCCO1 P432474 [2,0,0,0,0,0|0,1,0]=3 78 B7R1.1 CSC1=NCCN1 M135977 [2,0,0,0,0,0|2,0,0]=4 79 B7R1.1 CSC1=NCCS1 M123595 [2,0,0,0,0,0|1,0,0]=3 80 B9R0.6 CCOC(=O)C(=O)C(C)Br B194008 [0,1,1,0,0,0|1,1,0]=4 81 B9R0.6 CCOC(=O)C(=O)C(C)C E302716 [0,1,1,0,0,0|1,1,0]=4 82 B9R0.35 CCOC(=N)C(=O)OCC E195169 [0,1,1,0,0,0|0,1,0]=3 83 B9R0.35 CCOC(=O)C(=O)OCC D110943 [0,1,1,0,0,0|1,1,0]=4 84 B9R0.35 CCOC(=O)C(=O)OCC D110944 [0,1,1,0,0,0|1,1,0]=4 85 B9R0.35 CCOC(=O)C(=O)OCC D489097 [0,1,1,0,0,0|1,1,0]=4 86 B9R0.5 CCCC=CC(=O)OCC E117526 [0,1,1,0,0,0|2,0,0]=4 87 B9R1.35 CC1=CSC(=N1)C(=O)C A469639 [1,1,0,0,0,0|0,0,2]=4 88 B9R1.73 CCOC(=O)C1CCC1 E124243 [0,1,0,0,1,0|1,0,1]=4 89 B11R1.16 CCOC(=O)C1SCCCS1 E156414 [0,1,0,0,0,1|1,0,1]=4 90 B11R1.15 CCOC(=O)C1=NC=C(S1)Br E586574 [0,2,0,0,0,0|0,0,2]=4 91 B9R1.37 CC1CC(=O)C(=O)C1C D102535 [0,0,1,1,0,0|1,1,0]=4 92 B9R1.132 CCC1=C(C(=O)CC1)O E102537 [0,0,1,1,0,0|1,1,0]=4 93 B11R2.2 C1COC(=N1)C2=NCCO2 B152606 [0,1,0,1,0,0|0,1,1]=4 94 B7R1.18 CC(=O)C1CCC1 A151658 [1,0,0,0,1,0|1,0,1]=4 95 B7R1.22 C1CC1C(=O)CBr B186063 [0,0,0,0,2,0|1,0,1]=4 96 B7R1.22 COC(=O)C1CC1 M108025 [0,0,0,0,2,0|1,0,1]=4